smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c2c(c1)OCCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449183 735298529 /nfs/dbraw/zinc/29/85/29/735298529.db2.gz PNNINPCDGJRGPP-UHFFFAOYSA-N -1 3 358.463 2.952 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCC1CC1 ZINC000744289291 735345458 /nfs/dbraw/zinc/34/54/58/735345458.db2.gz ZDGJRUQFJVFCTJ-OAHLLOKOSA-N -1 3 364.467 2.627 20 30 FFEDHM CC(C)N(C)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493689 727941988 /nfs/dbraw/zinc/94/19/88/727941988.db2.gz CGHMEJDPURDPQT-MRXNPFEDSA-N -1 3 357.435 2.601 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)Cc2ccoc2)ccc1F ZINC000102284755 728490209 /nfs/dbraw/zinc/49/02/09/728490209.db2.gz STKCSROJRNKWGZ-UHFFFAOYSA-N -1 3 366.414 2.545 20 30 FFEDHM C=CCSCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000194484067 729511427 /nfs/dbraw/zinc/51/14/27/729511427.db2.gz WENHKRIMVHSXTA-UHFFFAOYSA-N -1 3 374.503 2.552 20 30 FFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000779423047 738463316 /nfs/dbraw/zinc/46/33/16/738463316.db2.gz USHCRIMGDZGQTF-UHFFFAOYSA-N -1 3 366.664 2.803 20 30 FFEDHM C=C(C)CNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868517540 731300054 /nfs/dbraw/zinc/30/00/54/731300054.db2.gz ACQNRVLBMWRFSS-LBPRGKRZSA-N -1 3 355.360 2.945 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000877775551 732427788 /nfs/dbraw/zinc/42/77/88/732427788.db2.gz NHCZSNHHMWCBHF-LRDDRELGSA-N -1 3 355.360 2.620 20 30 FFEDHM O=C(Nc1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000877895048 732448085 /nfs/dbraw/zinc/44/80/85/732448085.db2.gz LBXNHANHLJGQNE-SECBINFHSA-N -1 3 351.712 2.861 20 30 FFEDHM CCOc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(C(F)(F)F)c1 ZINC000878461509 732536748 /nfs/dbraw/zinc/53/67/48/732536748.db2.gz AZVUYDDYJJQYSJ-LBPRGKRZSA-N -1 3 361.320 2.606 20 30 FFEDHM O=C(Nc1ccc2nc(C(F)F)sc2c1)N[C@@H]1CCCN([O-])C1=O ZINC000879550961 732720484 /nfs/dbraw/zinc/72/04/84/732720484.db2.gz WHZOKKMWMALBOI-SECBINFHSA-N -1 3 356.354 2.736 20 30 FFEDHM C=CCN1CCC(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC000668369095 733115349 /nfs/dbraw/zinc/11/53/49/733115349.db2.gz OHZRRPWELWWWIH-UHFFFAOYSA-N -1 3 360.845 2.612 20 30 FFEDHM C=C(C[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000672423835 733525199 /nfs/dbraw/zinc/52/51/99/733525199.db2.gz YJBTXJRWYXDZKK-UHFFFAOYSA-N -1 3 353.241 2.836 20 30 FFEDHM CC/C=C/COC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000727046483 734461344 /nfs/dbraw/zinc/46/13/44/734461344.db2.gz DLMBKAOSVMGNDN-PXTSUWAFSA-N -1 3 364.467 2.649 20 30 FFEDHM N#CCCN(C(=O)COC(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000731915928 734705298 /nfs/dbraw/zinc/70/52/98/734705298.db2.gz NQGWFQINKWGTTE-UHFFFAOYSA-N -1 3 359.769 2.544 20 30 FFEDHM COc1cc(C/N=C\c2c([O-])c(C)ncc2CO)ccc1OC(F)F ZINC000747712991 735584652 /nfs/dbraw/zinc/58/46/52/735584652.db2.gz MCFONYVEZQZIAM-ZBKNUEDVSA-N -1 3 352.337 2.817 20 30 FFEDHM CC(C)S(=O)(=O)c1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901373956 735772074 /nfs/dbraw/zinc/77/20/74/735772074.db2.gz APWYUUCDMOXHME-UHFFFAOYSA-N -1 3 365.426 2.968 20 30 FFEDHM CCC(CC)OC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000754740131 736192746 /nfs/dbraw/zinc/19/27/46/736192746.db2.gz YNPRDSORILTUDH-OAHLLOKOSA-N -1 3 366.483 2.872 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)N(C)C2CCCC2)n1 ZINC000754871388 736211637 /nfs/dbraw/zinc/21/16/37/736211637.db2.gz HAPZYGPCYQVKTH-CQSZACIVSA-N -1 3 363.483 2.824 20 30 FFEDHM COc1ccc(CC2N=NC(=S)N2N=Cc2cc(F)ccc2[O-])cc1 ZINC000755606539 736264639 /nfs/dbraw/zinc/26/46/39/736264639.db2.gz MJDLCDBFUCYSHA-UHFFFAOYSA-N -1 3 358.398 2.893 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(CC)C2)ccc1F ZINC000758666978 736511638 /nfs/dbraw/zinc/51/16/38/736511638.db2.gz RUNVBFCEZOFZKN-KRWDZBQOSA-N -1 3 354.447 2.552 20 30 FFEDHM Cc1cccc([C@@H]([N-]S(=O)(=O)CCCC#N)C(=O)OC(C)(C)C)c1 ZINC000907661198 736653528 /nfs/dbraw/zinc/65/35/28/736653528.db2.gz LJVPKKOMKKLKGI-OAHLLOKOSA-N -1 3 352.456 2.601 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750686 736826153 /nfs/dbraw/zinc/82/61/53/736826153.db2.gz GWPYZUCAFBNWOA-HUUCEWRRSA-N -1 3 365.499 2.994 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ncccc1C(F)(F)F ZINC000765581128 737135657 /nfs/dbraw/zinc/13/56/57/737135657.db2.gz NMFWBCBCBLAQRS-UHFFFAOYSA-N -1 3 357.357 2.596 20 30 FFEDHM C#CCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C1CSC1 ZINC000912371624 737296972 /nfs/dbraw/zinc/29/69/72/737296972.db2.gz HBTMEUKRLISEPE-UHFFFAOYSA-N -1 3 353.469 2.681 20 30 FFEDHM C[C@@H](CC(F)(F)F)[N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000768288333 737411774 /nfs/dbraw/zinc/41/17/74/737411774.db2.gz YQCCBRMCKHLCSH-VKHMYHEASA-N -1 3 364.192 2.778 20 30 FFEDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2csc(C#N)c2)o1 ZINC000914182879 737522576 /nfs/dbraw/zinc/52/25/76/737522576.db2.gz DSNVUUCMFZHKLE-CQSZACIVSA-N -1 3 354.453 2.582 20 30 FFEDHM CC(=NNS(=O)(=O)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000916268506 737691212 /nfs/dbraw/zinc/69/12/12/737691212.db2.gz OLZWUNUSJOLVJM-UHFFFAOYSA-N -1 3 369.240 2.857 20 30 FFEDHM CC(C)=CCOC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000916615973 737716068 /nfs/dbraw/zinc/71/60/68/737716068.db2.gz OBYZYEQZEUOUKL-HNNXBMFYSA-N -1 3 364.467 2.649 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C)CC2)ccc1F ZINC000785636944 738984862 /nfs/dbraw/zinc/98/48/62/738984862.db2.gz DLEGGXSNDOBEQJ-DZGCQCFKSA-N -1 3 368.474 2.989 20 30 FFEDHM O=[N+]([O-])c1ccc2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCC2 ZINC000773055655 737866702 /nfs/dbraw/zinc/86/67/02/737866702.db2.gz SCDJNMIPLYAQFA-UHFFFAOYSA-N -1 3 359.407 2.755 20 30 FFEDHM CC(C)c1nn(C)c(Cl)c1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920383305 737904473 /nfs/dbraw/zinc/90/44/73/737904473.db2.gz CVMSMBPQGPUYGB-UHFFFAOYSA-N -1 3 354.863 2.650 20 30 FFEDHM COc1ccc2nc(C=N[N-]S(=O)(=O)Cc3ccccc3)sc2c1 ZINC000788714200 739275319 /nfs/dbraw/zinc/27/53/19/739275319.db2.gz DPNKIINOGCRIIM-UHFFFAOYSA-N -1 3 361.448 2.758 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000793373166 739775142 /nfs/dbraw/zinc/77/51/42/739775142.db2.gz HGDKUTKXKMCBLX-GOSISDBHSA-N -1 3 357.431 2.850 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(C)cc1F ZINC000793410663 739778507 /nfs/dbraw/zinc/77/85/07/739778507.db2.gz GRZIRQGDTWGJCN-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM CCN(C(=O)OC(C)(C)C)[C@H](C)C/N=C\c1c([O-])c(C)ncc1CO ZINC000794835569 739934281 /nfs/dbraw/zinc/93/42/81/739934281.db2.gz XUSWHPFNXNDWIL-FGHSJCFPSA-N -1 3 351.447 2.652 20 30 FFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000798467453 740335277 /nfs/dbraw/zinc/33/52/77/740335277.db2.gz BCTIFRDDZOEMEA-SECBINFHSA-N -1 3 363.233 2.990 20 30 FFEDHM O=C1Nc2cccc(C(F)(F)F)c2C1=N[N-]c1ccc([N+](=O)[O-])cn1 ZINC000800810838 740550334 /nfs/dbraw/zinc/55/03/34/740550334.db2.gz WROBUYAASVTUMY-UHFFFAOYSA-N -1 3 351.244 2.777 20 30 FFEDHM O=C(COC(=O)c1cc(F)c(C(F)(F)F)cc1F)[N-]CC(F)(F)F ZINC000805592611 740989549 /nfs/dbraw/zinc/98/95/49/740989549.db2.gz IIOWFRXQXPDIOG-UHFFFAOYSA-N -1 3 365.176 2.819 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](NCc2c(F)ccc([O-])c2F)[C@@H](C#N)C1 ZINC000816569845 742043499 /nfs/dbraw/zinc/04/34/99/742043499.db2.gz YEZZWIWOTVWORO-GWCFXTLKSA-N -1 3 353.369 2.519 20 30 FFEDHM O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000816760397 742059538 /nfs/dbraw/zinc/05/95/38/742059538.db2.gz PNVWSHUSCWPTKX-NXIHDVOMSA-N -1 3 362.735 2.782 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C(C)(C)C)ccc1F ZINC000817219793 742107812 /nfs/dbraw/zinc/10/78/12/742107812.db2.gz LFGLDMCWEYZTNY-UHFFFAOYSA-N -1 3 356.463 2.845 20 30 FFEDHM Brc1ccccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000819688889 742423013 /nfs/dbraw/zinc/42/30/13/742423013.db2.gz QIKVYSBJOWALFE-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM Brc1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000819688889 742423016 /nfs/dbraw/zinc/42/30/16/742423016.db2.gz QIKVYSBJOWALFE-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000820156829 742468500 /nfs/dbraw/zinc/46/85/00/742468500.db2.gz OLFIHUJAFUXCPW-CYBMUJFWSA-N -1 3 356.344 2.624 20 30 FFEDHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820175031 742470683 /nfs/dbraw/zinc/47/06/83/742470683.db2.gz QZPJTUMSNSZXQG-JTQLQIEISA-N -1 3 370.192 2.677 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823893931 742997106 /nfs/dbraw/zinc/99/71/06/742997106.db2.gz BQHRXKZEEXVKHS-SNVBAGLBSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823893931 742997113 /nfs/dbraw/zinc/99/71/13/742997113.db2.gz BQHRXKZEEXVKHS-SNVBAGLBSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823919705 743000338 /nfs/dbraw/zinc/00/03/38/743000338.db2.gz NQPHTCGLRXZMIS-MRVPVSSYSA-N -1 3 357.361 2.668 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823919705 743000343 /nfs/dbraw/zinc/00/03/43/743000343.db2.gz NQPHTCGLRXZMIS-MRVPVSSYSA-N -1 3 357.361 2.668 20 30 FFEDHM C[C@@H](CC(=O)OCC1=CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000835820741 746085566 /nfs/dbraw/zinc/08/55/66/746085566.db2.gz QXLDVERAEJYALT-ZDUSSCGKSA-N -1 3 362.451 2.547 20 30 FFEDHM C[C@H](CC(=O)OCC1=CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000835820739 746085584 /nfs/dbraw/zinc/08/55/84/746085584.db2.gz QXLDVERAEJYALT-CYBMUJFWSA-N -1 3 362.451 2.547 20 30 FFEDHM C[C@@]1(C#N)CC[C@H](OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000836154760 746155543 /nfs/dbraw/zinc/15/55/43/746155543.db2.gz WJBXEXQISGWGPU-DRQUAOQDSA-N -1 3 354.403 2.826 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1nn(C)cc1C ZINC000842290158 747564331 /nfs/dbraw/zinc/56/43/31/747564331.db2.gz VDRRJPFYWRRQDZ-NSHDSACASA-N -1 3 360.801 2.660 20 30 FFEDHM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000842290838 747564817 /nfs/dbraw/zinc/56/48/17/747564817.db2.gz TWMKBCSFBFCMFJ-GHMZBOCLSA-N -1 3 350.802 2.965 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1sc2ccccc2c1Br ZINC000848132130 748850660 /nfs/dbraw/zinc/85/06/60/748850660.db2.gz HTLIVWOJVGJASC-SECBINFHSA-N -1 3 369.240 2.774 20 30 FFEDHM C=CCc1cc(CNc2cnccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000823937301 946521091 /nfs/dbraw/zinc/52/10/91/946521091.db2.gz QPEWKPSSOVYXQZ-UHFFFAOYSA-N -1 3 352.398 2.620 20 30 FFEDHM C=CCc1cc(CNc2cnccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000823937301 946521098 /nfs/dbraw/zinc/52/10/98/946521098.db2.gz QPEWKPSSOVYXQZ-UHFFFAOYSA-N -1 3 352.398 2.620 20 30 FFEDHM C=CC1(CC(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)CCCCC1 ZINC001573314711 947235627 /nfs/dbraw/zinc/23/56/27/947235627.db2.gz FGNJDEFHNWRQLN-UHFFFAOYSA-N -1 3 372.498 2.922 20 30 FFEDHM C=CC1(CC(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)CCCCC1 ZINC001573314711 947235636 /nfs/dbraw/zinc/23/56/36/947235636.db2.gz FGNJDEFHNWRQLN-UHFFFAOYSA-N -1 3 372.498 2.922 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573314776 947236486 /nfs/dbraw/zinc/23/64/86/947236486.db2.gz HADTWGSWIVOMCF-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573314776 947236496 /nfs/dbraw/zinc/23/64/96/947236496.db2.gz HADTWGSWIVOMCF-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM CCOc1ccc(C=NOCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825639510 947267819 /nfs/dbraw/zinc/26/78/19/947267819.db2.gz YRPVOEWCOCKXTA-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM CCOc1ccc(C=NOCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825639510 947267828 /nfs/dbraw/zinc/26/78/28/947267828.db2.gz YRPVOEWCOCKXTA-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001573328678 947411528 /nfs/dbraw/zinc/41/15/28/947411528.db2.gz ZXOXWQFNAOLLQV-UHFFFAOYSA-N -1 3 369.878 2.791 20 30 FFEDHM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001573328678 947411532 /nfs/dbraw/zinc/41/15/32/947411532.db2.gz ZXOXWQFNAOLLQV-UHFFFAOYSA-N -1 3 369.878 2.791 20 30 FFEDHM C=CCCONC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573340772 947522618 /nfs/dbraw/zinc/52/26/18/947522618.db2.gz ADBQFQPVPVZJCS-UHFFFAOYSA-N -1 3 350.382 2.848 20 30 FFEDHM Cn1cc(C=NNCCC(C)(C)C)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359424 948115614 /nfs/dbraw/zinc/11/56/14/948115614.db2.gz GQLIHMVQGONABS-UHFFFAOYSA-N -1 3 352.446 2.627 20 30 FFEDHM Cn1cc(C=NNCCC(C)(C)C)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359424 948115620 /nfs/dbraw/zinc/11/56/20/948115620.db2.gz GQLIHMVQGONABS-UHFFFAOYSA-N -1 3 352.446 2.627 20 30 FFEDHM CC(C)(C#N)CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573761283 948840781 /nfs/dbraw/zinc/84/07/81/948840781.db2.gz FVMYHTISBSNAMJ-UHFFFAOYSA-N -1 3 363.381 2.932 20 30 FFEDHM CC(C)(C#N)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573761283 948840801 /nfs/dbraw/zinc/84/08/01/948840801.db2.gz FVMYHTISBSNAMJ-UHFFFAOYSA-N -1 3 363.381 2.932 20 30 FFEDHM C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1CC ZINC000985015926 972514589 /nfs/dbraw/zinc/51/45/89/972514589.db2.gz IRQUBVVSSDLCJF-DLBZAZTESA-N -1 3 367.449 2.803 20 30 FFEDHM Cc1ccccc1OCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000007673965 1013196985 /nfs/dbraw/zinc/19/69/85/1013196985.db2.gz BYYFIPNCZDSWMQ-UHFFFAOYSA-N -1 3 354.406 2.727 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(C#N)cc1F ZINC000011541068 1013401209 /nfs/dbraw/zinc/40/12/09/1013401209.db2.gz XBNCDXFGMMKFHU-UHFFFAOYSA-N -1 3 353.353 2.550 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cc(C(N)=O)cs1 ZINC000121310383 973869592 /nfs/dbraw/zinc/86/95/92/973869592.db2.gz OKINVCDGQREVPH-AWEZNQCLSA-N -1 3 363.398 2.961 20 30 FFEDHM CCCCCCCCOCC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899501557 977196884 /nfs/dbraw/zinc/19/68/84/977196884.db2.gz XCIXHBYWEBRNJV-UHFFFAOYSA-N -1 3 364.490 2.516 20 30 FFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001211719174 977426582 /nfs/dbraw/zinc/42/65/82/977426582.db2.gz ADKUKWOYDJNTNT-QMMMGPOBSA-N -1 3 351.653 2.578 20 30 FFEDHM CC(C)(CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)CC(F)F ZINC000904187549 980204592 /nfs/dbraw/zinc/20/45/92/980204592.db2.gz OITRLBVJGGMADO-UHFFFAOYSA-N -1 3 368.380 2.962 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(COC)c1 ZINC000765587237 985211822 /nfs/dbraw/zinc/21/18/22/985211822.db2.gz MJNQNXHUCXFFHZ-OAHLLOKOSA-N -1 3 353.378 2.588 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)cc1OC ZINC000916933349 990035571 /nfs/dbraw/zinc/03/55/71/990035571.db2.gz BEHFCDJBHZTYIP-AWEZNQCLSA-N -1 3 370.409 2.616 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n[n-]2)o1 ZINC000919324823 990613702 /nfs/dbraw/zinc/61/37/02/990613702.db2.gz IPSBQUCPWUOJRY-SGTLLEGYSA-N -1 3 358.398 2.578 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[n-]n2)o1 ZINC000919324823 990613706 /nfs/dbraw/zinc/61/37/06/990613706.db2.gz IPSBQUCPWUOJRY-SGTLLEGYSA-N -1 3 358.398 2.578 20 30 FFEDHM COc1cccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1OC ZINC000921236148 991013006 /nfs/dbraw/zinc/01/30/06/991013006.db2.gz HUHWWPFTRPTKPC-UHFFFAOYSA-N -1 3 370.405 2.969 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1n[n-]c2c1cccc2OC)c1cccc(C#N)c1 ZINC000808672572 994209568 /nfs/dbraw/zinc/20/95/68/994209568.db2.gz BJXYNLHRIMSUOL-QGZVFWFLSA-N -1 3 365.345 2.514 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1[n-]nc2c1cccc2OC)c1cccc(C#N)c1 ZINC000808672572 994209579 /nfs/dbraw/zinc/20/95/79/994209579.db2.gz BJXYNLHRIMSUOL-QGZVFWFLSA-N -1 3 365.345 2.514 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1n[n-]c2c1cccc2OC)c1cccc(C#N)c1 ZINC000808672571 994209689 /nfs/dbraw/zinc/20/96/89/994209689.db2.gz BJXYNLHRIMSUOL-KRWDZBQOSA-N -1 3 365.345 2.514 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1[n-]nc2c1cccc2OC)c1cccc(C#N)c1 ZINC000808672571 994209691 /nfs/dbraw/zinc/20/96/91/994209691.db2.gz BJXYNLHRIMSUOL-KRWDZBQOSA-N -1 3 365.345 2.514 20 30 FFEDHM Cc1ccc([C@H](NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)C2CC2)cc1 ZINC000811188021 995051728 /nfs/dbraw/zinc/05/17/28/995051728.db2.gz SUPUMIDSEIXAGK-FQEVSTJZSA-N -1 3 364.401 2.997 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000811186361 995051943 /nfs/dbraw/zinc/05/19/43/995051943.db2.gz LPOHKOSBZJRESU-OAHLLOKOSA-N -1 3 358.300 2.504 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000811188316 995054066 /nfs/dbraw/zinc/05/40/66/995054066.db2.gz ZXXHAROCDXNLGC-UHFFFAOYSA-N -1 3 357.272 2.949 20 30 FFEDHM C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)[C@@H]2C1 ZINC001084567096 996681359 /nfs/dbraw/zinc/68/13/59/996681359.db2.gz MKCGFBDHLNCRPO-ZIAGYGMSSA-N -1 3 364.877 2.513 20 30 FFEDHM CN=c1scc(-c2ccccc2[O-])n1N=Cc1ccnn1CCCOC ZINC000844554287 997977781 /nfs/dbraw/zinc/97/77/81/997977781.db2.gz IJSRBNQDARRDOZ-UHFFFAOYSA-N -1 3 371.466 2.568 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc2c1OCCCO2 ZINC000845442893 998540268 /nfs/dbraw/zinc/54/02/68/998540268.db2.gz RPPKAIDSLOZKOS-AWEZNQCLSA-N -1 3 366.373 2.818 20 30 FFEDHM C[C@@H](NC(=O)c1cccs1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845837604 998670384 /nfs/dbraw/zinc/67/03/84/998670384.db2.gz BCYPNEYTVJCQQZ-HIFRSBDPSA-N -1 3 366.442 2.876 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])COc1cccc([N+](=O)[O-])c1 ZINC000845843499 998672873 /nfs/dbraw/zinc/67/28/73/998672873.db2.gz YEFOFJIJJOPLET-QGZVFWFLSA-N -1 3 364.357 2.983 20 30 FFEDHM COC(=O)c1cccc(CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1C#N ZINC001598996225 998781835 /nfs/dbraw/zinc/78/18/35/998781835.db2.gz QGHUOAHIOOSTMW-RDTXWAMCSA-N -1 3 366.417 2.766 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(C/N=C/c2c([O-])c(C)ncc2CO)ccc1OC ZINC000733205485 998914742 /nfs/dbraw/zinc/91/47/42/998914742.db2.gz XLHJJGKIHPWHSJ-RSFOSLOZSA-N -1 3 369.421 2.897 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C3CC3)n(C)n2)cc1Cl ZINC000744032624 999841592 /nfs/dbraw/zinc/84/15/92/999841592.db2.gz MOEBIPPUFBEAHM-LBPRGKRZSA-N -1 3 372.812 2.921 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@@](C)(O)c1ccccc1 ZINC000846423686 1000301090 /nfs/dbraw/zinc/30/10/90/1000301090.db2.gz YONXMVZIGJXGSX-YCRPNKLZSA-N -1 3 367.449 2.621 20 30 FFEDHM C=C(C)CO[N-]C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000846540563 1000345044 /nfs/dbraw/zinc/34/50/44/1000345044.db2.gz AZCPTRBDRKRSBM-UHFFFAOYSA-N -1 3 352.390 2.840 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000846549391 1000350267 /nfs/dbraw/zinc/35/02/67/1000350267.db2.gz JWVDZINZYQUCRH-STQMWFEESA-N -1 3 368.380 2.763 20 30 FFEDHM C#C[C@@H]1CCCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000847031024 1000525918 /nfs/dbraw/zinc/52/59/18/1000525918.db2.gz PRQMKWMOZBAZFS-QWHCGFSZSA-N -1 3 373.478 2.876 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1cccc(OCC#N)c1)[n-]c2=O ZINC000769811759 1000610434 /nfs/dbraw/zinc/61/04/34/1000610434.db2.gz DJWOXSVGFDQQGZ-UHFFFAOYSA-N -1 3 365.397 2.635 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCOc1ccccc1F ZINC000012392202 1016457140 /nfs/dbraw/zinc/45/71/40/1016457140.db2.gz UFAFFSDMRWSCSP-UHFFFAOYSA-N -1 3 371.412 2.520 20 30 FFEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182974049 1002124671 /nfs/dbraw/zinc/12/46/71/1002124671.db2.gz DMVAGNPMBWDRLT-CQSZACIVSA-N -1 3 354.406 2.564 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(O)c2)ccc1F ZINC001170121030 1002202376 /nfs/dbraw/zinc/20/23/76/1002202376.db2.gz CKOCJPAVJXYCFQ-UHFFFAOYSA-N -1 3 364.398 2.556 20 30 FFEDHM O=C(NCC(=O)N([O-])CCCCc1ccccc1)c1ccc(F)cc1F ZINC001184293135 1002564492 /nfs/dbraw/zinc/56/44/92/1002564492.db2.gz GNTXGYXQDSMEQZ-UHFFFAOYSA-N -1 3 362.376 2.935 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000747021180 1002740415 /nfs/dbraw/zinc/74/04/15/1002740415.db2.gz LAQGZMBSPDIABS-GFCCVEGCSA-N -1 3 350.290 2.697 20 30 FFEDHM COc1c([O-])c(CN=Nc2nnc(-c3ccccn3)s2)ccc1[N+](=O)[O-] ZINC000773075287 1002865967 /nfs/dbraw/zinc/86/59/67/1002865967.db2.gz XIJHJVFCEMJZDS-UHFFFAOYSA-N -1 3 372.366 2.669 20 30 FFEDHM C[C@@H]1CN(c2ncccc2C#N)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001092490349 1002975173 /nfs/dbraw/zinc/97/51/73/1002975173.db2.gz CXFJAROYVPMMDR-GDBMZVCRSA-N -1 3 350.422 2.551 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)c1 ZINC000793123236 1003277214 /nfs/dbraw/zinc/27/72/14/1003277214.db2.gz GQFREWFIKPFWNU-HNNXBMFYSA-N -1 3 350.378 2.535 20 30 FFEDHM CC(=O)n1ccc2cc(C[C@@H](C)[N-]S(=O)(=O)c3ccco3)cc(C#N)c21 ZINC001186876013 1003450802 /nfs/dbraw/zinc/45/08/02/1003450802.db2.gz QCWNJQQEPLNHAQ-GFCCVEGCSA-N -1 3 371.418 2.676 20 30 FFEDHM C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001001425705 1016799510 /nfs/dbraw/zinc/79/95/10/1016799510.db2.gz LUOYLCXLDKWGIL-OIISXLGYSA-N -1 3 365.433 2.555 20 30 FFEDHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC001129612881 1003733546 /nfs/dbraw/zinc/73/35/46/1003733546.db2.gz LJDVUASBYKITRJ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC001129612881 1003733552 /nfs/dbraw/zinc/73/35/52/1003733552.db2.gz LJDVUASBYKITRJ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC001191395585 1003795064 /nfs/dbraw/zinc/79/50/64/1003795064.db2.gz PWBKXFIXWKRGTE-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM CC(C)n1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1=O ZINC001196711410 1003923357 /nfs/dbraw/zinc/92/33/57/1003923357.db2.gz MFPGGLAANPDFCX-UHFFFAOYSA-N -1 3 351.815 2.755 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001193139517 1004387719 /nfs/dbraw/zinc/38/77/19/1004387719.db2.gz HSOXDKJFTXAUIR-LLVKDONJSA-N -1 3 351.428 2.591 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001193152032 1004392006 /nfs/dbraw/zinc/39/20/06/1004392006.db2.gz ZRPVDONYNGASIM-GFCCVEGCSA-N -1 3 365.455 2.634 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ncccc2OCc2ccccc2)CCC1 ZINC001201895700 1005280755 /nfs/dbraw/zinc/28/07/55/1005280755.db2.gz NUHKIOKLSFQWFT-UHFFFAOYSA-N -1 3 357.435 2.633 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776275332 1005342112 /nfs/dbraw/zinc/34/21/12/1005342112.db2.gz RQNXYYWOOJVBPL-NSHDSACASA-N -1 3 352.346 2.650 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-][C@@H](Cc1ccccn1)C(=O)OCC ZINC001188028334 1006385888 /nfs/dbraw/zinc/38/58/88/1006385888.db2.gz BPJUNGSPNWALHC-KRWDZBQOSA-N -1 3 370.515 2.836 20 30 FFEDHM C#C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001134718937 1006451517 /nfs/dbraw/zinc/45/15/17/1006451517.db2.gz YUWPQOCRKDMHDU-AWEZNQCLSA-N -1 3 366.458 2.530 20 30 FFEDHM CC1(C)CC(=N[N-]S(=O)(=O)CCc2ccccc2)c2cc(O)ccc2O1 ZINC000814859495 1006452278 /nfs/dbraw/zinc/45/22/78/1006452278.db2.gz WRXYRYSTCZLWNZ-UHFFFAOYSA-N -1 3 374.462 2.820 20 30 FFEDHM CSc1ncc(Br)c(C(=O)Nc2ccc([O-])c(C#N)c2)n1 ZINC001188458505 1006579591 /nfs/dbraw/zinc/57/95/91/1006579591.db2.gz MIEKFDQJWWUQKF-UHFFFAOYSA-N -1 3 365.212 2.791 20 30 FFEDHM N#Cc1cncc([N-]S(=O)(=O)Cc2cccc(Br)c2)c1 ZINC001188649564 1006649726 /nfs/dbraw/zinc/64/97/26/1006649726.db2.gz OIUPUWXKROIKSE-UHFFFAOYSA-N -1 3 352.213 2.658 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1c[n-]c3cc(F)c(F)cc3c1=O)C2 ZINC001152566195 1032193026 /nfs/dbraw/zinc/19/30/26/1032193026.db2.gz UOUYZOJHYFSDLE-ZDUSSCGKSA-N -1 3 365.339 2.575 20 30 FFEDHM Cc1ccc(OCc2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)o2)c(C)c1 ZINC000816754526 1007192102 /nfs/dbraw/zinc/19/21/02/1007192102.db2.gz GTULZKNGRIUCJZ-HNNXBMFYSA-N -1 3 358.394 2.585 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC=C)C2)ccc1F ZINC000855438415 1007337903 /nfs/dbraw/zinc/33/79/03/1007337903.db2.gz HTTKZUDPWWYDSY-AWEZNQCLSA-N -1 3 366.458 2.718 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCC2CCC2)ccc1F ZINC000855802089 1007568301 /nfs/dbraw/zinc/56/83/01/1007568301.db2.gz FQLRCYFDGNCJHE-UHFFFAOYSA-N -1 3 354.447 2.600 20 30 FFEDHM N#Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190413003 1007627880 /nfs/dbraw/zinc/62/78/80/1007627880.db2.gz LGNFAPUYRPKRLR-CQSZACIVSA-N -1 3 352.337 2.941 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000885452294 1007716124 /nfs/dbraw/zinc/71/61/24/1007716124.db2.gz PTJLCBXSFDYWAH-BEFAXECRSA-N -1 3 357.454 2.530 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC001190660735 1007720752 /nfs/dbraw/zinc/72/07/52/1007720752.db2.gz DYJSZVAKKDDERR-HNNXBMFYSA-N -1 3 368.817 2.753 20 30 FFEDHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000820179026 1008300854 /nfs/dbraw/zinc/30/08/54/1008300854.db2.gz DOLNXTJEAUXCMM-GOSISDBHSA-N -1 3 355.438 2.937 20 30 FFEDHM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1 ZINC000886396004 1008666797 /nfs/dbraw/zinc/66/67/97/1008666797.db2.gz WTRYHSSCCRBJPM-UHFFFAOYSA-N -1 3 371.462 2.780 20 30 FFEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)[N-]OCCCC(F)(F)F ZINC000871212081 1012786892 /nfs/dbraw/zinc/78/68/92/1012786892.db2.gz IIULIBZZAAWZKV-UHFFFAOYSA-N -1 3 369.347 2.541 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC001137598781 1032670025 /nfs/dbraw/zinc/67/00/25/1032670025.db2.gz TWGSQQTVWCRZGR-CQSZACIVSA-N -1 3 361.442 2.679 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000133270294 1018871793 /nfs/dbraw/zinc/87/17/93/1018871793.db2.gz FTRYLUSMLDTAKM-HUUCEWRRSA-N -1 3 371.462 2.973 20 30 FFEDHM COc1ccccc1N1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC1=O ZINC000901376911 1019018528 /nfs/dbraw/zinc/01/85/28/1019018528.db2.gz ZZEMMGQNOSHOFF-AWEZNQCLSA-N -1 3 358.369 2.605 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc(C)n1 ZINC001116916079 1021487397 /nfs/dbraw/zinc/48/73/97/1021487397.db2.gz NOHNWWRWTZUTJD-UHFFFAOYSA-N -1 3 355.341 2.812 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](COCC)C1 ZINC001122482702 1023296922 /nfs/dbraw/zinc/29/69/22/1023296922.db2.gz PBEZXCFXMFKPHD-HNNXBMFYSA-N -1 3 372.473 2.578 20 30 FFEDHM Cn1cc(Br)cc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001122506166 1023309263 /nfs/dbraw/zinc/30/92/63/1023309263.db2.gz IPZIGYSZGUEZND-LLVKDONJSA-N -1 3 370.210 2.803 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1csc(CC)n1 ZINC001122568260 1023343576 /nfs/dbraw/zinc/34/35/76/1023343576.db2.gz ZEMYIXXYIUFQBN-UHFFFAOYSA-N -1 3 371.470 2.672 20 30 FFEDHM COC(=O)c1cccc(CO[N-]C(=O)CCCc2ccccc2)c1C#N ZINC000755813447 1023639945 /nfs/dbraw/zinc/63/99/45/1023639945.db2.gz CXFXRIRYOXEECS-UHFFFAOYSA-N -1 3 352.390 2.916 20 30 FFEDHM C#CCN(C)c1nnc(CCc2cccc(Cl)c2[O-])n1C[C@@H]1CCOC1 ZINC001123254302 1023709973 /nfs/dbraw/zinc/70/99/73/1023709973.db2.gz IXPGQXKGBGADAM-AWEZNQCLSA-N -1 3 374.872 2.528 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(-c2nc(-c3cccs3)no2)ccn1 ZINC001160179044 1027626147 /nfs/dbraw/zinc/62/61/47/1027626147.db2.gz UPEHAUIOVMQDGY-ZANVPECISA-N -1 3 357.395 2.508 20 30 FFEDHM Cc1ncc(Nc2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)c(=O)[n-]1 ZINC001162299821 1028497126 /nfs/dbraw/zinc/49/71/26/1028497126.db2.gz DTHGJQJXTHGAFP-AWEZNQCLSA-N -1 3 356.748 2.618 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNc3cc(C#N)cc(C)n3)c2)[n-]1 ZINC001163197498 1028838842 /nfs/dbraw/zinc/83/88/42/1028838842.db2.gz IGYXBTFIGDWBLE-UHFFFAOYSA-N -1 3 362.393 2.836 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNc3cc(C#N)cc(C)n3)c2)n[n-]1 ZINC001163197498 1028838857 /nfs/dbraw/zinc/83/88/57/1028838857.db2.gz IGYXBTFIGDWBLE-UHFFFAOYSA-N -1 3 362.393 2.836 20 30 FFEDHM C[S@@](=O)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001163769042 1029056138 /nfs/dbraw/zinc/05/61/38/1029056138.db2.gz MHODKBQMJDQFLC-XMMPIXPASA-N -1 3 359.329 2.966 20 30 FFEDHM N#Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001142791430 1030882927 /nfs/dbraw/zinc/88/29/27/1030882927.db2.gz WUUGKAGFTHPHPD-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1cc(Br)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001142791430 1030882940 /nfs/dbraw/zinc/88/29/40/1030882940.db2.gz WUUGKAGFTHPHPD-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1occ2c1CCC2 ZINC000796799474 1030919961 /nfs/dbraw/zinc/91/99/61/1030919961.db2.gz ULGSBLVSYYUVTK-CQSZACIVSA-N -1 3 352.346 2.501 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c[nH]c3ncccc23)c(C)c1[O-] ZINC001149372951 1031499019 /nfs/dbraw/zinc/49/90/19/1031499019.db2.gz GPCNWABHKOGXDC-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001149386105 1031500718 /nfs/dbraw/zinc/50/07/18/1031500718.db2.gz LBRIXMBZGQNXDK-GOSISDBHSA-N -1 3 364.449 2.704 20 30 FFEDHM CSc1ccc([O-])c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001149508356 1031527590 /nfs/dbraw/zinc/52/75/90/1031527590.db2.gz PNAPCCNFTILCPO-UHFFFAOYSA-N -1 3 353.447 2.948 20 30 FFEDHM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226241452 1034588434 /nfs/dbraw/zinc/58/84/34/1034588434.db2.gz VURJIBDDKYJRDM-GFCCVEGCSA-N -1 3 366.295 2.863 20 30 FFEDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226253165 1034595535 /nfs/dbraw/zinc/59/55/35/1034595535.db2.gz FMWFVZUTJGWIFW-MYTOFSKASA-N -1 3 350.419 2.699 20 30 FFEDHM CC[C@@H](C#CC(=O)OC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385858 1034663235 /nfs/dbraw/zinc/66/32/35/1034663235.db2.gz VDVROSBNEDQMCY-LBPRGKRZSA-N -1 3 364.353 2.501 20 30 FFEDHM C=CCOC[C@]12CCCO[C@H]1CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001140494914 1035502028 /nfs/dbraw/zinc/50/20/28/1035502028.db2.gz NWEZJNGRGHEGBP-FXAWDEMLSA-N -1 3 362.470 2.903 20 30 FFEDHM COC(=O)C1=C[C@H](Oc2cc([O-])ccc2C#N)CN(Cc2ccccc2)C1 ZINC001228008924 1035870788 /nfs/dbraw/zinc/87/07/88/1035870788.db2.gz CNOUWYSQXMKNBI-IBGZPJMESA-N -1 3 364.401 2.626 20 30 FFEDHM C=CCOC(=O)N1CCC2(CN(Cc3c([O-])ccc(F)c3F)C2)CC1 ZINC001233331913 1036538948 /nfs/dbraw/zinc/53/89/48/1036538948.db2.gz PRQNXJFOMKCWQR-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM Cc1nc(CN2CCC3(CN(Cc4ccc(C#N)cc4[O-])C3)C2)cs1 ZINC001233385274 1036586923 /nfs/dbraw/zinc/58/69/23/1036586923.db2.gz AUXWDBBGUDOBGM-UHFFFAOYSA-N -1 3 354.479 2.737 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN(Cc2c(F)ccc([O-])c2F)[C@H](C#N)C1 ZINC001233393868 1036593287 /nfs/dbraw/zinc/59/32/87/1036593287.db2.gz PMHAONZZAJXTPT-LLVKDONJSA-N -1 3 353.369 2.615 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001233801353 1036769924 /nfs/dbraw/zinc/76/99/24/1036769924.db2.gz YLYJZIIQZUCYON-LZUHAEQRSA-N -1 3 354.378 2.840 20 30 FFEDHM C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1c([O-])cc(Cl)cc1F ZINC001234448238 1037040420 /nfs/dbraw/zinc/04/04/20/1037040420.db2.gz QUFKTVLMHDSUPD-LLVKDONJSA-N -1 3 358.749 2.781 20 30 FFEDHM N#C[C@H]1CC[C@@H](Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)C1 ZINC001230189752 1037137132 /nfs/dbraw/zinc/13/71/32/1037137132.db2.gz VVBIFHOPCHIPFJ-JKSUJKDBSA-N -1 3 350.422 2.812 20 30 FFEDHM COC(=O)C1=C[C@@H](Oc2ccccc2C=N[O-])CN(Cc2ccccc2)C1 ZINC001234824452 1037193008 /nfs/dbraw/zinc/19/30/08/1037193008.db2.gz HSQKIXGVWCQUQF-LJQANCHMSA-N -1 3 366.417 2.857 20 30 FFEDHM N#CCCCN1CCC2(CCN(Cc3cc([O-])c(F)c(F)c3)CC2)C1=O ZINC001278009114 1038261561 /nfs/dbraw/zinc/26/15/61/1038261561.db2.gz HWILSXOYXITIPC-UHFFFAOYSA-N -1 3 363.408 2.789 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208391091 1038277036 /nfs/dbraw/zinc/27/70/36/1038277036.db2.gz JELTVTCUEHTRSF-CKEIUWERSA-N -1 3 358.486 2.598 20 30 FFEDHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC001256587559 1038571171 /nfs/dbraw/zinc/57/11/71/1038571171.db2.gz DATYNNWYJMHONU-UHFFFAOYSA-N -1 3 366.299 2.832 20 30 FFEDHM C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OCC ZINC001257293349 1038762411 /nfs/dbraw/zinc/76/24/11/1038762411.db2.gz LYEFHQOKBMQFHK-OTYXRUKQSA-N -1 3 364.250 2.780 20 30 FFEDHM CCOC(Cc1c(Nc2cccc(OC)c2C#N)nc[n-]c1=O)OCC ZINC001210120266 1039393746 /nfs/dbraw/zinc/39/37/46/1039393746.db2.gz AGSMWIOUPNPKMB-UHFFFAOYSA-N -1 3 358.398 2.748 20 30 FFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]C1(C#N)CCCCCC1)C(=O)C2 ZINC001258974900 1039632055 /nfs/dbraw/zinc/63/20/55/1039632055.db2.gz AAUYOGIOAGIQTK-KSSFIOAISA-N -1 3 352.500 2.918 20 30 FFEDHM N#Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259044009 1039669658 /nfs/dbraw/zinc/66/96/58/1039669658.db2.gz OGSIIJKFUJMVFC-OAHLLOKOSA-N -1 3 352.337 2.941 20 30 FFEDHM N#Cc1cccc(OCCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC001259504663 1040070764 /nfs/dbraw/zinc/07/07/64/1040070764.db2.gz RBLDLAXNEFEUJT-UHFFFAOYSA-N -1 3 370.352 2.723 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]C2(c3ccccc3Cl)COC2)cc1 ZINC001260048727 1040378789 /nfs/dbraw/zinc/37/87/89/1040378789.db2.gz VXXQHADLYDUUGZ-UHFFFAOYSA-N -1 3 362.838 2.557 20 30 FFEDHM CCOC(=O)c1ncc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)s1 ZINC001261779589 1041412244 /nfs/dbraw/zinc/41/22/44/1041412244.db2.gz RMGMQXCNQDCUGQ-UHFFFAOYSA-N -1 3 356.407 2.718 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001264158941 1042643181 /nfs/dbraw/zinc/64/31/81/1042643181.db2.gz HRGZYMFLZWRPNJ-PSGMQZRDSA-N -1 3 358.486 2.741 20 30 FFEDHM Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2c([O-])ccc(F)c2Cl)cc1C#N ZINC001279683657 1043462247 /nfs/dbraw/zinc/46/22/47/1043462247.db2.gz HLUNLEHHPSMODI-GASCZTMLSA-N -1 3 374.847 2.854 20 30 FFEDHM COc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001241861555 1044618315 /nfs/dbraw/zinc/61/83/15/1044618315.db2.gz FDXFNHSKXQNEHE-ZDUSSCGKSA-N -1 3 369.377 2.799 20 30 FFEDHM COc1cccc(O)c1/C=N\Cc1c(F)cccc1[N-]S(C)(=O)=O ZINC001319042710 1044999844 /nfs/dbraw/zinc/99/98/44/1044999844.db2.gz LFNBRSNNTXCEMB-ZDLGFXPLSA-N -1 3 352.387 2.531 20 30 FFEDHM C#CCN(CC1CC1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001319672675 1045235925 /nfs/dbraw/zinc/23/59/25/1045235925.db2.gz XNSRODMWTMQNAB-UHFFFAOYSA-N -1 3 359.223 2.776 20 30 FFEDHM CC[C@H](OC1CCCC1)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306893562 1048276100 /nfs/dbraw/zinc/27/61/00/1048276100.db2.gz YAAGBEQDQSSYAF-KRWDZBQOSA-N -1 3 374.437 2.628 20 30 FFEDHM C=CCCC1(C(=O)N2C[C@@H](CNC(=O)c3ccccc3[O-])[C@H](C)C2)CC1 ZINC001290871116 1048464494 /nfs/dbraw/zinc/46/44/94/1048464494.db2.gz MTZWDYCGNMXWOG-HZPDHXFCSA-N -1 3 356.466 2.963 20 30 FFEDHM C=C[C@@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC001294673950 1049792279 /nfs/dbraw/zinc/79/22/79/1049792279.db2.gz WQHRLBRWJIYOSI-LJQANCHMSA-N -1 3 350.418 2.646 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC)[C@@H]2C)ccc1F ZINC001296701319 1050083450 /nfs/dbraw/zinc/08/34/50/1050083450.db2.gz NIWTVJCPTSQXEL-QWHCGFSZSA-N -1 3 354.447 2.551 20 30 FFEDHM N#Cc1cc(F)c(C(F)(F)F)cc1N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001339843360 1050263856 /nfs/dbraw/zinc/26/38/56/1050263856.db2.gz OONHRIAAULTHJM-SNVBAGLBSA-N -1 3 367.306 2.903 20 30 FFEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001339898517 1050315364 /nfs/dbraw/zinc/31/53/64/1050315364.db2.gz JJKCVSKSJKHDPG-GASCZTMLSA-N -1 3 374.872 2.976 20 30 FFEDHM Cc1ccc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CCN([O-])C3=O)c2c1 ZINC001298426360 1050441099 /nfs/dbraw/zinc/44/10/99/1050441099.db2.gz PNDZDVWLGXFUEO-OAHLLOKOSA-N -1 3 367.430 2.992 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccn1-c1c(Cl)cccc1Cl ZINC001298542937 1050470569 /nfs/dbraw/zinc/47/05/69/1050470569.db2.gz GVDZBGZFVPYMDJ-LBPRGKRZSA-N -1 3 368.220 2.894 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001302190401 1051060418 /nfs/dbraw/zinc/06/04/18/1051060418.db2.gz YTKYQLVVTNUAKV-UHFFFAOYSA-N -1 3 364.920 2.788 20 30 FFEDHM C#CCC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC001304006619 1051500662 /nfs/dbraw/zinc/50/06/62/1051500662.db2.gz APIIYXWUCLNWHY-UHFFFAOYSA-N -1 3 374.915 2.522 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2nnc(Cl)[n-]2)n1C[C@H]1CCCO1 ZINC001343138888 1051761091 /nfs/dbraw/zinc/76/10/91/1051761091.db2.gz SWAMSLZEVNBUCL-GFCCVEGCSA-N -1 3 365.869 2.688 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2n[n-]c(Cl)n2)n1C[C@H]1CCCO1 ZINC001343138888 1051761106 /nfs/dbraw/zinc/76/11/06/1051761106.db2.gz SWAMSLZEVNBUCL-GFCCVEGCSA-N -1 3 365.869 2.688 20 30 FFEDHM CCCCCCN([O-])C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC001306896942 1052214547 /nfs/dbraw/zinc/21/45/47/1052214547.db2.gz RQWAWQQLZLIKED-UHFFFAOYSA-N -1 3 356.488 2.722 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC001309309581 1052596969 /nfs/dbraw/zinc/59/69/69/1052596969.db2.gz CYKLMWOKGOMPIE-LLVKDONJSA-N -1 3 374.447 2.850 20 30 FFEDHM N#Cc1cc(S(=O)(=O)NCc2c([O-])cccc2F)ccc1C(F)(F)F ZINC001475707795 1055057104 /nfs/dbraw/zinc/05/71/04/1055057104.db2.gz ZENVMTSLOBOHTR-UHFFFAOYSA-N -1 3 374.315 2.900 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001352063090 1055163405 /nfs/dbraw/zinc/16/34/05/1055163405.db2.gz OABCGFDTOAQOAA-SNVBAGLBSA-N -1 3 350.373 2.559 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2OC)cc1 ZINC001356101236 1055289033 /nfs/dbraw/zinc/28/90/33/1055289033.db2.gz OADYDPLNLHAFEF-HNNXBMFYSA-N -1 3 354.410 2.732 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@H](CCF)C3)n2C)c1[O-] ZINC001338673814 1055720234 /nfs/dbraw/zinc/72/02/34/1055720234.db2.gz DEBNRIAQGNBERB-OAHLLOKOSA-N -1 3 360.433 2.871 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001338962835 1055969389 /nfs/dbraw/zinc/96/93/89/1055969389.db2.gz BMBZZOBYDNSSHO-LBPRGKRZSA-N -1 3 366.400 2.890 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001339014179 1056015874 /nfs/dbraw/zinc/01/58/74/1056015874.db2.gz DOOFVWUPIPLHOS-UKRRQHHQSA-N -1 3 359.430 2.610 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](Cc2nc(C)cs2)C1 ZINC001339658176 1056683491 /nfs/dbraw/zinc/68/34/91/1056683491.db2.gz RLBIQBUHEQKEES-LBPRGKRZSA-N -1 3 372.454 2.659 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC)C2CCCC2)ccc1F ZINC001544656263 1071674311 /nfs/dbraw/zinc/67/43/11/1071674311.db2.gz SRZJINOVYYFNCL-MRXNPFEDSA-N -1 3 368.474 2.989 20 30 FFEDHM CCCCOc1cc(OCCC)ccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848134387 1059106355 /nfs/dbraw/zinc/10/63/55/1059106355.db2.gz UHHIBIUYXPJWFZ-MRXNPFEDSA-N -1 3 364.442 2.764 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001515003114 1059210673 /nfs/dbraw/zinc/21/06/73/1059210673.db2.gz LOHODVTXNHJOFO-GASCZTMLSA-N -1 3 372.473 2.719 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCc2cc(O)ccc2C1 ZINC001515031193 1059240077 /nfs/dbraw/zinc/24/00/77/1059240077.db2.gz IILRMAUESVKGFP-UHFFFAOYSA-N -1 3 371.832 2.561 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCc2cc(O)ccc2C1 ZINC001515031193 1059240094 /nfs/dbraw/zinc/24/00/94/1059240094.db2.gz IILRMAUESVKGFP-UHFFFAOYSA-N -1 3 371.832 2.561 20 30 FFEDHM Cn1cc(C#N)c([N-]C(=O)c2cc(-c3cccc(Br)c3)no2)n1 ZINC001354902066 1059621156 /nfs/dbraw/zinc/62/11/56/1059621156.db2.gz UPTJNQLHCVXINK-UHFFFAOYSA-N -1 3 372.182 2.962 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCc2sccc2C1 ZINC001355981981 1060780285 /nfs/dbraw/zinc/78/02/85/1060780285.db2.gz WXLHSMYLUDFKTH-UHFFFAOYSA-N -1 3 354.439 2.641 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(OC)s1)c1ccc(Cl)cc1F ZINC001463688732 1062215020 /nfs/dbraw/zinc/21/50/20/1062215020.db2.gz KEQMCKQVSXADIN-LLVKDONJSA-N -1 3 360.819 2.597 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001464463909 1062627228 /nfs/dbraw/zinc/62/72/28/1062627228.db2.gz BGILEQXUXBFYIR-PBHICJAKSA-N -1 3 350.422 2.533 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC001532696582 1063149894 /nfs/dbraw/zinc/14/98/94/1063149894.db2.gz MEXMOSQHUJMAJG-ZDUSSCGKSA-N -1 3 373.438 2.550 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC001471049567 1064541442 /nfs/dbraw/zinc/54/14/42/1064541442.db2.gz DKZDKFHOXLWDGJ-BLLLJJGKSA-N -1 3 368.393 2.705 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC001472621063 1065112378 /nfs/dbraw/zinc/11/23/78/1065112378.db2.gz FOOFEYKNQUTSFF-RDJZCZTQSA-N -1 3 364.490 2.906 20 30 FFEDHM CN(C(=O)c1sccc1CC#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001578951621 1078554087 /nfs/dbraw/zinc/55/40/87/1078554087.db2.gz HRRPPMQRGXHASO-UHFFFAOYSA-N -1 3 358.814 2.924 20 30 FFEDHM CN(C(=O)c1sccc1CC#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001578951621 1078554092 /nfs/dbraw/zinc/55/40/92/1078554092.db2.gz HRRPPMQRGXHASO-UHFFFAOYSA-N -1 3 358.814 2.924 20 30 FFEDHM CN(Cc1cc(C#N)cs1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001579243158 1078599270 /nfs/dbraw/zinc/59/92/70/1078599270.db2.gz TZUWZCZTKCNZIL-UHFFFAOYSA-N -1 3 357.374 2.603 20 30 FFEDHM CN(Cc1cc(C#N)cs1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001579243158 1078599274 /nfs/dbraw/zinc/59/92/74/1078599274.db2.gz TZUWZCZTKCNZIL-UHFFFAOYSA-N -1 3 357.374 2.603 20 30 FFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC001579253709 1078602802 /nfs/dbraw/zinc/60/28/02/1078602802.db2.gz WLFXYFHLZHITML-UHFFFAOYSA-N -1 3 369.335 2.680 20 30 FFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C#N)c(F)cc1F ZINC001579253709 1078602806 /nfs/dbraw/zinc/60/28/06/1078602806.db2.gz WLFXYFHLZHITML-UHFFFAOYSA-N -1 3 369.335 2.680 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C#N)ccc1C ZINC001579876833 1078703700 /nfs/dbraw/zinc/70/37/00/1078703700.db2.gz MNFXVIPFPYZEJQ-UHFFFAOYSA-N -1 3 369.768 2.928 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C#N)ccc1C ZINC001579876833 1078703704 /nfs/dbraw/zinc/70/37/04/1078703704.db2.gz MNFXVIPFPYZEJQ-UHFFFAOYSA-N -1 3 369.768 2.928 20 30 FFEDHM COc1cc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1C#N ZINC001579937422 1078721682 /nfs/dbraw/zinc/72/16/82/1078721682.db2.gz KTCFMVZOHNIKFU-UHFFFAOYSA-N -1 3 352.310 2.756 20 30 FFEDHM COc1cc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1C#N ZINC001579937422 1078721685 /nfs/dbraw/zinc/72/16/85/1078721685.db2.gz KTCFMVZOHNIKFU-UHFFFAOYSA-N -1 3 352.310 2.756 20 30 FFEDHM COc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC001580041652 1078737206 /nfs/dbraw/zinc/73/72/06/1078737206.db2.gz HUHJOAOTEIKCIW-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC001580041652 1078737210 /nfs/dbraw/zinc/73/72/10/1078737210.db2.gz HUHJOAOTEIKCIW-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OC(F)F)cc2F)ccc1-c1nnn[n-]1 ZINC001581866414 1079010400 /nfs/dbraw/zinc/01/04/00/1079010400.db2.gz BHHXGWZWQJQDQP-UHFFFAOYSA-N -1 3 374.282 2.731 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OC(F)F)cc2F)ccc1-c1nn[n-]n1 ZINC001581866414 1079010407 /nfs/dbraw/zinc/01/04/07/1079010407.db2.gz BHHXGWZWQJQDQP-UHFFFAOYSA-N -1 3 374.282 2.731 20 30 FFEDHM N#Cc1cc(Cl)cc(OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001581866478 1079011496 /nfs/dbraw/zinc/01/14/96/1079011496.db2.gz DVZYDTMEDYHZAV-UHFFFAOYSA-N -1 3 356.729 2.879 20 30 FFEDHM N#Cc1cc(Cl)cc(OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001581866478 1079011502 /nfs/dbraw/zinc/01/15/02/1079011502.db2.gz DVZYDTMEDYHZAV-UHFFFAOYSA-N -1 3 356.729 2.879 20 30 FFEDHM N#Cc1ccsc1C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001581877129 1079012013 /nfs/dbraw/zinc/01/20/13/1079012013.db2.gz RQGFAUGQIZBGKE-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#Cc1ccsc1C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001581877129 1079012018 /nfs/dbraw/zinc/01/20/18/1079012018.db2.gz RQGFAUGQIZBGKE-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#Cc1cccc2c1CN(C(=O)c1c[n-]c3cc(F)c(F)cc3c1=O)C2 ZINC001557304825 1075836267 /nfs/dbraw/zinc/83/62/67/1075836267.db2.gz BGKOIJMICBKFST-UHFFFAOYSA-N -1 3 351.312 2.834 20 30 FFEDHM N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCN([O-])C3=O)cc2)cc1 ZINC001562281980 1076487090 /nfs/dbraw/zinc/48/70/90/1076487090.db2.gz YNWOLVKIVSUCNG-KRWDZBQOSA-N -1 3 366.377 2.852 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001569561516 1077152328 /nfs/dbraw/zinc/15/23/28/1077152328.db2.gz UFINXHMLKKGWFL-JTQLQIEISA-N -1 3 372.233 2.837 20 30 FFEDHM Brc1ccc(-c2nnn[n-]2)cc1N=NC1COC2(CCC2)C1 ZINC001588320320 1079975364 /nfs/dbraw/zinc/97/53/64/1079975364.db2.gz GLTVYOWFAYSWDQ-UHFFFAOYSA-N -1 3 363.219 2.740 20 30 FFEDHM Brc1ccc(-c2nn[n-]n2)cc1N=NC1COC2(CCC2)C1 ZINC001588320320 1079975369 /nfs/dbraw/zinc/97/53/69/1079975369.db2.gz GLTVYOWFAYSWDQ-UHFFFAOYSA-N -1 3 363.219 2.740 20 30 FFEDHM Brc1ccc(-c2nnn[n-]2)cc1N=NC1CO[C@H](C2CC2)C1 ZINC001588321327 1079976216 /nfs/dbraw/zinc/97/62/16/1079976216.db2.gz XMVUFDOMBVZDLI-ZDUSSCGKSA-N -1 3 363.219 2.596 20 30 FFEDHM Brc1ccc(-c2nn[n-]n2)cc1N=NC1CO[C@H](C2CC2)C1 ZINC001588321327 1079976220 /nfs/dbraw/zinc/97/62/20/1079976220.db2.gz XMVUFDOMBVZDLI-ZDUSSCGKSA-N -1 3 363.219 2.596 20 30 FFEDHM C#C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001588328437 1079983348 /nfs/dbraw/zinc/98/33/48/1079983348.db2.gz HAXGUOJZQDGZHS-ZDUSSCGKSA-N -1 3 355.745 2.610 20 30 FFEDHM C#C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001588328437 1079983354 /nfs/dbraw/zinc/98/33/54/1079983354.db2.gz HAXGUOJZQDGZHS-ZDUSSCGKSA-N -1 3 355.745 2.610 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001588330057 1079987699 /nfs/dbraw/zinc/98/76/99/1079987699.db2.gz UEKATXZIGYWAAZ-HNNXBMFYSA-N -1 3 354.320 2.641 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001588330057 1079987700 /nfs/dbraw/zinc/98/77/00/1079987700.db2.gz UEKATXZIGYWAAZ-HNNXBMFYSA-N -1 3 354.320 2.641 20 30 FFEDHM C#CCCCCNC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588345455 1079990636 /nfs/dbraw/zinc/99/06/36/1079990636.db2.gz ANAAXWXEPJGNIR-UHFFFAOYSA-N -1 3 368.319 2.690 20 30 FFEDHM C#CCCCCNC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588345455 1079990642 /nfs/dbraw/zinc/99/06/42/1079990642.db2.gz ANAAXWXEPJGNIR-UHFFFAOYSA-N -1 3 368.319 2.690 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588351678 1079991676 /nfs/dbraw/zinc/99/16/76/1079991676.db2.gz FANNOWNTTXJPEW-HNNXBMFYSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588351678 1079991681 /nfs/dbraw/zinc/99/16/81/1079991681.db2.gz FANNOWNTTXJPEW-HNNXBMFYSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CCOc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC001588362260 1079993946 /nfs/dbraw/zinc/99/39/46/1079993946.db2.gz YRBVHUHYHTUZTR-UHFFFAOYSA-N -1 3 354.801 2.848 20 30 FFEDHM C#CCOc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC001588362260 1079993950 /nfs/dbraw/zinc/99/39/50/1079993950.db2.gz YRBVHUHYHTUZTR-UHFFFAOYSA-N -1 3 354.801 2.848 20 30 FFEDHM C#CCOc1ccc(NC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588361647 1079994148 /nfs/dbraw/zinc/99/41/48/1079994148.db2.gz FDFVQJVJFRQPNY-UHFFFAOYSA-N -1 3 361.405 2.795 20 30 FFEDHM C#CCOc1ccc(NC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588361647 1079994154 /nfs/dbraw/zinc/99/41/54/1079994154.db2.gz FDFVQJVJFRQPNY-UHFFFAOYSA-N -1 3 361.405 2.795 20 30 FFEDHM C#Cc1ccc(CNC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)cc1 ZINC001588373650 1079996033 /nfs/dbraw/zinc/99/60/33/1079996033.db2.gz QERYEIBFNUMCIK-UHFFFAOYSA-N -1 3 371.444 2.976 20 30 FFEDHM C#Cc1ccc(CNC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1 ZINC001588373650 1079996040 /nfs/dbraw/zinc/99/60/40/1079996040.db2.gz QERYEIBFNUMCIK-UHFFFAOYSA-N -1 3 371.444 2.976 20 30 FFEDHM C#Cc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001588374980 1079997639 /nfs/dbraw/zinc/99/76/39/1079997639.db2.gz ZIIIDKCSXVUSMR-UHFFFAOYSA-N -1 3 353.769 2.519 20 30 FFEDHM C#Cc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001588374980 1079997644 /nfs/dbraw/zinc/99/76/44/1079997644.db2.gz ZIIIDKCSXVUSMR-UHFFFAOYSA-N -1 3 353.769 2.519 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)c1 ZINC001588374626 1079997896 /nfs/dbraw/zinc/99/78/96/1079997896.db2.gz FAIDUOBNDNWVLI-UHFFFAOYSA-N -1 3 352.785 2.563 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588392839 1080004856 /nfs/dbraw/zinc/00/48/56/1080004856.db2.gz JVQMTECWDXRLNM-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588392839 1080004862 /nfs/dbraw/zinc/00/48/62/1080004862.db2.gz JVQMTECWDXRLNM-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588394121 1080006679 /nfs/dbraw/zinc/00/66/79/1080006679.db2.gz VCNRSYRFYZGBQH-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588394121 1080006690 /nfs/dbraw/zinc/00/66/90/1080006690.db2.gz VCNRSYRFYZGBQH-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC001588394180 1080007638 /nfs/dbraw/zinc/00/76/38/1080007638.db2.gz WBEYJEUERSBTMO-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC001588394180 1080007647 /nfs/dbraw/zinc/00/76/47/1080007647.db2.gz WBEYJEUERSBTMO-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588412685 1080014974 /nfs/dbraw/zinc/01/49/74/1080014974.db2.gz YWZKECCMCAYZAP-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588412685 1080014986 /nfs/dbraw/zinc/01/49/86/1080014986.db2.gz YWZKECCMCAYZAP-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)NC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001588416062 1080019119 /nfs/dbraw/zinc/01/91/19/1080019119.db2.gz SDRPPMWAQGYVCW-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C=C(C)CCC(=O)NC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001588416062 1080019130 /nfs/dbraw/zinc/01/91/30/1080019130.db2.gz SDRPPMWAQGYVCW-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C#CC[C@H](NCc1cc(Br)ccc1Br)C(=O)[O-] ZINC001588422083 1080022230 /nfs/dbraw/zinc/02/22/30/1080022230.db2.gz GKPMAGCLUGHSNZ-NSHDSACASA-N -1 3 361.033 2.778 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)c(C)c2)SC1=S ZINC001588429439 1080024792 /nfs/dbraw/zinc/02/47/92/1080024792.db2.gz BBQBYCOYQWXVRJ-QPEQYQDCSA-N -1 3 357.464 2.952 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)c(C)c2)SC1=S ZINC001588429439 1080024801 /nfs/dbraw/zinc/02/48/01/1080024801.db2.gz BBQBYCOYQWXVRJ-QPEQYQDCSA-N -1 3 357.464 2.952 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)c1 ZINC001588430087 1080025184 /nfs/dbraw/zinc/02/51/84/1080025184.db2.gz QZSBVJGMOYDAIY-UHFFFAOYSA-N -1 3 350.382 2.777 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)c1 ZINC001588430087 1080025192 /nfs/dbraw/zinc/02/51/92/1080025192.db2.gz QZSBVJGMOYDAIY-UHFFFAOYSA-N -1 3 350.382 2.777 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001588429709 1080025694 /nfs/dbraw/zinc/02/56/94/1080025694.db2.gz MWJQIEJABYKECB-ZIAGYGMSSA-N -1 3 364.457 2.794 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001588429709 1080025702 /nfs/dbraw/zinc/02/57/02/1080025702.db2.gz MWJQIEJABYKECB-ZIAGYGMSSA-N -1 3 364.457 2.794 20 30 FFEDHM C=C(Cl)COc1cc(-c2nnn[n-]2)ccc1I ZINC001588447559 1080029728 /nfs/dbraw/zinc/02/97/28/1080029728.db2.gz HLLUYKTWVWCWQR-UHFFFAOYSA-N -1 3 362.558 2.603 20 30 FFEDHM C=C(Cl)COc1cc(-c2nn[n-]n2)ccc1I ZINC001588447559 1080029736 /nfs/dbraw/zinc/02/97/36/1080029736.db2.gz HLLUYKTWVWCWQR-UHFFFAOYSA-N -1 3 362.558 2.603 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)CCCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588454959 1080032295 /nfs/dbraw/zinc/03/22/95/1080032295.db2.gz LWYMEWKGOAMIFQ-ZDUSSCGKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)CCCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588454959 1080032302 /nfs/dbraw/zinc/03/23/02/1080032302.db2.gz LWYMEWKGOAMIFQ-ZDUSSCGKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC001588481373 1080044862 /nfs/dbraw/zinc/04/48/62/1080044862.db2.gz KGUJKHWPVLAUBA-UHFFFAOYSA-N -1 3 351.204 2.885 20 30 FFEDHM C=CC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC001588481373 1080044874 /nfs/dbraw/zinc/04/48/74/1080044874.db2.gz KGUJKHWPVLAUBA-UHFFFAOYSA-N -1 3 351.204 2.885 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588484827 1080050418 /nfs/dbraw/zinc/05/04/18/1080050418.db2.gz OZQSMJMONLSIPL-IBGZPJMESA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588484827 1080050426 /nfs/dbraw/zinc/05/04/26/1080050426.db2.gz OZQSMJMONLSIPL-IBGZPJMESA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588521248 1080074097 /nfs/dbraw/zinc/07/40/97/1080074097.db2.gz KBQDBYPUGXJAEO-LSDHHAIUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588521248 1080074106 /nfs/dbraw/zinc/07/41/06/1080074106.db2.gz KBQDBYPUGXJAEO-LSDHHAIUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(=O)OC ZINC001588526235 1080078487 /nfs/dbraw/zinc/07/84/87/1080078487.db2.gz SVOSTYRABJNNHS-KRWDZBQOSA-N -1 3 365.393 2.585 20 30 FFEDHM C=C[C@H](Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(=O)OC ZINC001588526235 1080078497 /nfs/dbraw/zinc/07/84/97/1080078497.db2.gz SVOSTYRABJNNHS-KRWDZBQOSA-N -1 3 365.393 2.585 20 30 FFEDHM C=CC1(CC(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001588527887 1080078514 /nfs/dbraw/zinc/07/85/14/1080078514.db2.gz YNBUGXCZIKEEIB-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC1(CC(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001588527887 1080078522 /nfs/dbraw/zinc/07/85/22/1080078522.db2.gz YNBUGXCZIKEEIB-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588539628 1080085848 /nfs/dbraw/zinc/08/58/48/1080085848.db2.gz RYWVGMXURADBOF-UHFFFAOYSA-N -1 3 364.247 2.961 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588539628 1080085855 /nfs/dbraw/zinc/08/58/55/1080085855.db2.gz RYWVGMXURADBOF-UHFFFAOYSA-N -1 3 364.247 2.961 20 30 FFEDHM C=CC[C@H](CO)CNC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588544395 1080088696 /nfs/dbraw/zinc/08/86/96/1080088696.db2.gz FASIVIXOKYSVCK-JTQLQIEISA-N -1 3 364.475 2.532 20 30 FFEDHM C=CC[C@H](CO)CNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588544395 1080088704 /nfs/dbraw/zinc/08/87/04/1080088704.db2.gz FASIVIXOKYSVCK-JTQLQIEISA-N -1 3 364.475 2.532 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588545307 1080088878 /nfs/dbraw/zinc/08/88/78/1080088878.db2.gz FACYYBKUKXWROY-SFHVURJKSA-N -1 3 362.437 2.582 20 30 FFEDHM C=CCC1(C(=O)N(C)CCOCc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588549160 1080089894 /nfs/dbraw/zinc/08/98/94/1080089894.db2.gz KKOJIVGBBCJFDF-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM C=CCC1(C(=O)N(C)CCOCc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588549160 1080089898 /nfs/dbraw/zinc/08/98/98/1080089898.db2.gz KKOJIVGBBCJFDF-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588552386 1080091513 /nfs/dbraw/zinc/09/15/13/1080091513.db2.gz VLJGKPQYPPNTGC-KGLIPLIRSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588552386 1080091525 /nfs/dbraw/zinc/09/15/25/1080091525.db2.gz VLJGKPQYPPNTGC-KGLIPLIRSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588560964 1080098301 /nfs/dbraw/zinc/09/83/01/1080098301.db2.gz WOMPKCPNFPBULQ-FSPWUOQZSA-N -1 3 366.469 2.768 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588560964 1080098308 /nfs/dbraw/zinc/09/83/08/1080098308.db2.gz WOMPKCPNFPBULQ-FSPWUOQZSA-N -1 3 366.469 2.768 20 30 FFEDHM C=CCCC(=O)N1CC[C@@](C)(CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588561926 1080098610 /nfs/dbraw/zinc/09/86/10/1080098610.db2.gz GMDUMHSXOQAULK-SFHVURJKSA-N -1 3 358.421 2.623 20 30 FFEDHM C=CCCC(=O)N1CC[C@@](C)(CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588561926 1080098615 /nfs/dbraw/zinc/09/86/15/1080098615.db2.gz GMDUMHSXOQAULK-SFHVURJKSA-N -1 3 358.421 2.623 20 30 FFEDHM C=CCCCC(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588582051 1080107650 /nfs/dbraw/zinc/10/76/50/1080107650.db2.gz FXDJSIVFQFGBML-LJQANCHMSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCCC(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588582051 1080107654 /nfs/dbraw/zinc/10/76/54/1080107654.db2.gz FXDJSIVFQFGBML-LJQANCHMSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H](CC)C1 ZINC001588587980 1080111434 /nfs/dbraw/zinc/11/14/34/1080111434.db2.gz AZJDRAXEEQLSKK-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H](CC)C1 ZINC001588587980 1080111440 /nfs/dbraw/zinc/11/14/40/1080111440.db2.gz AZJDRAXEEQLSKK-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588594738 1080117631 /nfs/dbraw/zinc/11/76/31/1080117631.db2.gz RSMCYOPRLLYGAJ-ZFWWWQNUSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2cnccc2n1 ZINC001588648910 1080140045 /nfs/dbraw/zinc/14/00/45/1080140045.db2.gz VZULWGNCAJZUIU-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2cnccc2n1 ZINC001588648910 1080140049 /nfs/dbraw/zinc/14/00/49/1080140049.db2.gz VZULWGNCAJZUIU-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588653555 1080143690 /nfs/dbraw/zinc/14/36/90/1080143690.db2.gz MOEOVIVPFJTODS-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588653555 1080143694 /nfs/dbraw/zinc/14/36/94/1080143694.db2.gz MOEOVIVPFJTODS-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM C=CCO[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Br)c2F)C1 ZINC001588665859 1080147049 /nfs/dbraw/zinc/14/70/49/1080147049.db2.gz RSPRJIDWXNAWBA-VIFPVBQESA-N -1 3 368.210 2.550 20 30 FFEDHM C=CCO[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Br)c2F)C1 ZINC001588665859 1080147054 /nfs/dbraw/zinc/14/70/54/1080147054.db2.gz RSPRJIDWXNAWBA-VIFPVBQESA-N -1 3 368.210 2.550 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2OC)nnc1N(CC)CCC ZINC001588695907 1080159732 /nfs/dbraw/zinc/15/97/32/1080159732.db2.gz IBKZAONVCCFPJA-UHFFFAOYSA-N -1 3 368.445 2.556 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2OC)nnc1N(CC)CCC ZINC001588695907 1080159738 /nfs/dbraw/zinc/15/97/38/1080159738.db2.gz IBKZAONVCCFPJA-UHFFFAOYSA-N -1 3 368.445 2.556 20 30 FFEDHM C=CCn1c(SCc2cc(-c3nnn[n-]3)ccn2)nnc1-c1ccco1 ZINC001588711903 1080166222 /nfs/dbraw/zinc/16/62/22/1080166222.db2.gz XPMORUHDACKKPD-UHFFFAOYSA-N -1 3 366.410 2.592 20 30 FFEDHM C=CCn1c(SCc2cc(-c3nn[n-]n3)ccn2)nnc1-c1ccco1 ZINC001588711903 1080166228 /nfs/dbraw/zinc/16/62/28/1080166228.db2.gz XPMORUHDACKKPD-UHFFFAOYSA-N -1 3 366.410 2.592 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2n1 ZINC001588716781 1080167442 /nfs/dbraw/zinc/16/74/42/1080167442.db2.gz LUYOFIGELIEAGQ-UHFFFAOYSA-N -1 3 359.393 2.584 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2n1 ZINC001588716781 1080167451 /nfs/dbraw/zinc/16/74/51/1080167451.db2.gz LUYOFIGELIEAGQ-UHFFFAOYSA-N -1 3 359.393 2.584 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)cc2n1 ZINC001588716734 1080167546 /nfs/dbraw/zinc/16/75/46/1080167546.db2.gz JTGQXCRKGAGBEB-UHFFFAOYSA-N -1 3 374.408 2.724 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc2n1 ZINC001588716734 1080167552 /nfs/dbraw/zinc/16/75/52/1080167552.db2.gz JTGQXCRKGAGBEB-UHFFFAOYSA-N -1 3 374.408 2.724 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3cscc3-c3nnn[n-]3)cc2n1 ZINC001588716758 1080167746 /nfs/dbraw/zinc/16/77/46/1080167746.db2.gz KVVQFFONCBVYQI-UHFFFAOYSA-N -1 3 351.395 2.716 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3cscc3-c3nn[n-]n3)cc2n1 ZINC001588716758 1080167756 /nfs/dbraw/zinc/16/77/56/1080167756.db2.gz KVVQFFONCBVYQI-UHFFFAOYSA-N -1 3 351.395 2.716 20 30 FFEDHM CC#CCCCC(=O)NCC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588743401 1080178464 /nfs/dbraw/zinc/17/84/64/1080178464.db2.gz CRPHUZBCJDJLEC-CYBMUJFWSA-N -1 3 358.421 2.506 20 30 FFEDHM CC#CCCCC(=O)NCC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588743401 1080178470 /nfs/dbraw/zinc/17/84/70/1080178470.db2.gz CRPHUZBCJDJLEC-CYBMUJFWSA-N -1 3 358.421 2.506 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776508 1080191044 /nfs/dbraw/zinc/19/10/44/1080191044.db2.gz PRNXZYBNDXYHSF-XHBSWPGZSA-N -1 3 371.514 2.880 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776508 1080191048 /nfs/dbraw/zinc/19/10/48/1080191048.db2.gz PRNXZYBNDXYHSF-XHBSWPGZSA-N -1 3 371.514 2.880 20 30 FFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1csnn1 ZINC001588777439 1080191659 /nfs/dbraw/zinc/19/16/59/1080191659.db2.gz XDZAMSWMHPNNPA-UHFFFAOYSA-N -1 3 354.321 2.573 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1csnn1 ZINC001588777439 1080191666 /nfs/dbraw/zinc/19/16/66/1080191666.db2.gz XDZAMSWMHPNNPA-UHFFFAOYSA-N -1 3 354.321 2.573 20 30 FFEDHM CC(N=Nc1nnc(-c2ccccn2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC001588781264 1080193348 /nfs/dbraw/zinc/19/33/48/1080193348.db2.gz PZKZYUKXAFBREK-UHFFFAOYSA-N -1 3 363.410 2.616 20 30 FFEDHM CC(N=Nc1nnc(-c2ccccn2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC001588781264 1080193351 /nfs/dbraw/zinc/19/33/51/1080193351.db2.gz PZKZYUKXAFBREK-UHFFFAOYSA-N -1 3 363.410 2.616 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588917028 1080262861 /nfs/dbraw/zinc/26/28/61/1080262861.db2.gz LLEFXMJGFTVGSM-OLZOCXBDSA-N -1 3 364.467 2.587 20 30 FFEDHM C[C@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001588934383 1080271189 /nfs/dbraw/zinc/27/11/89/1080271189.db2.gz KMVACXLFAFVLHY-AZZDOICSSA-N -1 3 372.388 2.765 20 30 FFEDHM C[C@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001588934383 1080271195 /nfs/dbraw/zinc/27/11/95/1080271195.db2.gz KMVACXLFAFVLHY-AZZDOICSSA-N -1 3 372.388 2.765 20 30 FFEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001589086271 1080344422 /nfs/dbraw/zinc/34/44/22/1080344422.db2.gz VSJYSNAAVCOIGU-QGZVFWFLSA-N -1 3 358.471 2.544 20 30 FFEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001589086271 1080344424 /nfs/dbraw/zinc/34/44/24/1080344424.db2.gz VSJYSNAAVCOIGU-QGZVFWFLSA-N -1 3 358.471 2.544 20 30 FFEDHM CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC001589257433 1080450497 /nfs/dbraw/zinc/45/04/97/1080450497.db2.gz FNOSLBKFJJQZAV-UHFFFAOYSA-N -1 3 370.804 2.596 20 30 FFEDHM CC(C)(C)n1cc(C#N)c(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC001589257433 1080450499 /nfs/dbraw/zinc/45/04/99/1080450499.db2.gz FNOSLBKFJJQZAV-UHFFFAOYSA-N -1 3 370.804 2.596 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1cccc(-c2nnn[n-]2)c1Cl ZINC001589419487 1080521907 /nfs/dbraw/zinc/52/19/07/1080521907.db2.gz PSPHLUWMGSRZDN-OAHLLOKOSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1cccc(-c2nn[n-]n2)c1Cl ZINC001589419487 1080521913 /nfs/dbraw/zinc/52/19/13/1080521913.db2.gz PSPHLUWMGSRZDN-OAHLLOKOSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589754777 1080708153 /nfs/dbraw/zinc/70/81/53/1080708153.db2.gz SZVUTHQFWURWKI-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1cccc([C@@H](O)CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001589757750 1080710989 /nfs/dbraw/zinc/71/09/89/1080710989.db2.gz IOEFDASMLWNDPR-KRWDZBQOSA-N -1 3 364.409 2.671 20 30 FFEDHM CC(C)Oc1cccc([C@@H](O)CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001589757750 1080710990 /nfs/dbraw/zinc/71/09/90/1080710990.db2.gz IOEFDASMLWNDPR-KRWDZBQOSA-N -1 3 364.409 2.671 20 30 FFEDHM C[C@H](CN(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001589837066 1080788545 /nfs/dbraw/zinc/78/85/45/1080788545.db2.gz SWWCTUVZBGNOGC-CZUORRHYSA-N -1 3 354.458 2.690 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC1(C#N)CCCC1 ZINC001590042376 1080967408 /nfs/dbraw/zinc/96/74/08/1080967408.db2.gz GTSKKOCPBOXESO-ZDUSSCGKSA-N -1 3 353.430 2.653 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCC1(C#N)CCCC1 ZINC001590042376 1080967409 /nfs/dbraw/zinc/96/74/09/1080967409.db2.gz GTSKKOCPBOXESO-ZDUSSCGKSA-N -1 3 353.430 2.653 20 30 FFEDHM C[C@]1(C#N)CCCN(Cc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC001590053524 1080982123 /nfs/dbraw/zinc/98/21/23/1080982123.db2.gz AZHIHLLNKNXVFJ-OAHLLOKOSA-N -1 3 361.247 2.755 20 30 FFEDHM C[C@]1(C#N)CCCN(Cc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC001590053524 1080982129 /nfs/dbraw/zinc/98/21/29/1080982129.db2.gz AZHIHLLNKNXVFJ-OAHLLOKOSA-N -1 3 361.247 2.755 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc(-c2ccccc2)c[nH]1 ZINC000372990660 512122014 /nfs/dbraw/zinc/12/20/14/512122014.db2.gz QRRZDNAVDBBFRB-CQSZACIVSA-N -1 3 367.434 2.773 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3ccc(O)cc3[O-])CC2)c(F)c1 ZINC000286549522 257042463 /nfs/dbraw/zinc/04/24/63/257042463.db2.gz DNOMJMUJWUUQOM-UHFFFAOYSA-N -1 3 356.353 2.792 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1c(F)cncc1F ZINC000286381369 257034040 /nfs/dbraw/zinc/03/40/40/257034040.db2.gz LYUUOWAVOCHRBK-LLVKDONJSA-N -1 3 360.364 2.759 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000290511217 257337372 /nfs/dbraw/zinc/33/73/72/257337372.db2.gz GRRXKGKQSHAXAV-FUHWJXTLSA-N -1 3 357.454 2.624 20 30 FFEDHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000330489418 258164877 /nfs/dbraw/zinc/16/48/77/258164877.db2.gz KQIMAPYRTCRTOW-BLLLJJGKSA-N -1 3 370.858 2.612 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067091735 506754134 /nfs/dbraw/zinc/75/41/34/506754134.db2.gz IGZZKUDPWDYZEF-FUHWJXTLSA-N -1 3 353.397 2.607 20 30 FFEDHM N#CC1(c2ccccn2)CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000367068125 512323034 /nfs/dbraw/zinc/32/30/34/512323034.db2.gz WCNYKDSAFMJKNH-UHFFFAOYSA-N -1 3 361.401 2.951 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)CN(C)C(=O)OC(C)(C)C)n[n-]1 ZINC000057911866 507351677 /nfs/dbraw/zinc/35/16/77/507351677.db2.gz NZPBGHBGASPBJW-UHFFFAOYSA-N -1 3 361.402 2.935 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-n2cccn2)c1 ZINC000049758462 507637315 /nfs/dbraw/zinc/63/73/15/507637315.db2.gz IDXJUJUWGCGZQC-UHFFFAOYSA-N -1 3 361.405 2.620 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000062903707 507687292 /nfs/dbraw/zinc/68/72/92/507687292.db2.gz RVSGLIBYEMWKIG-UHFFFAOYSA-N -1 3 374.444 2.883 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2ccc(C#N)cc2Cl)cc1 ZINC000028141907 507711447 /nfs/dbraw/zinc/71/14/47/507711447.db2.gz PYAHZAJBMCJDML-UHFFFAOYSA-N -1 3 364.810 2.845 20 30 FFEDHM N#Cc1c(F)cccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000030772679 507812959 /nfs/dbraw/zinc/81/29/59/507812959.db2.gz HWGUMGCFIZKXKG-UHFFFAOYSA-N -1 3 365.455 2.706 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000078419700 507869969 /nfs/dbraw/zinc/86/99/69/507869969.db2.gz ASLUNQNBMKJZRL-UHFFFAOYSA-N -1 3 355.435 2.599 20 30 FFEDHM C=CC1CCN(C(=O)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)CC1 ZINC000110968432 508061317 /nfs/dbraw/zinc/06/13/17/508061317.db2.gz BXTMXWSGSRJMBZ-KRWDZBQOSA-N -1 3 368.474 2.553 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000092353349 508063691 /nfs/dbraw/zinc/06/36/91/508063691.db2.gz MHXKPEALYNFJOK-UHFFFAOYSA-N -1 3 356.419 2.753 20 30 FFEDHM C=CCOc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000092937573 508109206 /nfs/dbraw/zinc/10/92/06/508109206.db2.gz NVQBYSXYMFEBDJ-UHFFFAOYSA-N -1 3 352.434 2.915 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(F)c1F ZINC000152682981 508494105 /nfs/dbraw/zinc/49/41/05/508494105.db2.gz LNDBJIHHWXXMMC-GFCCVEGCSA-N -1 3 359.376 2.952 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000116850280 508567989 /nfs/dbraw/zinc/56/79/89/508567989.db2.gz RTEDOEWDCMBLGV-CYBMUJFWSA-N -1 3 372.469 2.559 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000157747906 508605490 /nfs/dbraw/zinc/60/54/90/508605490.db2.gz MHJZWYFGGQDLRE-UHFFFAOYSA-N -1 3 361.354 2.573 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000157778891 508611137 /nfs/dbraw/zinc/61/11/37/508611137.db2.gz PNAHTOOOSUOIAN-MRXNPFEDSA-N -1 3 371.418 2.766 20 30 FFEDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000158793467 508753057 /nfs/dbraw/zinc/75/30/57/508753057.db2.gz OXHBHINULMGHFB-VIFPVBQESA-N -1 3 353.831 2.899 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1cccc([N+](=O)[O-])c1 ZINC000154312162 508758413 /nfs/dbraw/zinc/75/84/13/508758413.db2.gz ICHPYIWLIDVBMH-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(C#N)c2)C1=O ZINC000119894016 508885256 /nfs/dbraw/zinc/88/52/56/508885256.db2.gz FRFRCNMDTGYFHL-LJQANCHMSA-N -1 3 356.426 2.874 20 30 FFEDHM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1nnc2n1CCCCC2 ZINC000159846681 508900344 /nfs/dbraw/zinc/90/03/44/508900344.db2.gz OGAZWDBJCUDPSM-INIZCTEOSA-N -1 3 358.405 2.952 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c(F)c1 ZINC000160080985 508936088 /nfs/dbraw/zinc/93/60/88/508936088.db2.gz PEYRSYUWZDQYHB-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM N#Cc1cnn(-c2ccc(C(=O)N3CCCc4cccc([O-])c43)cc2)c1N ZINC000155661043 509047199 /nfs/dbraw/zinc/04/71/99/509047199.db2.gz DLHBISGLODRPLB-UHFFFAOYSA-N -1 3 359.389 2.625 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(-c2ccccc2)no1 ZINC000375644687 512434694 /nfs/dbraw/zinc/43/46/94/512434694.db2.gz YXGNTTAUUKOIJR-LLVKDONJSA-N -1 3 374.447 2.752 20 30 FFEDHM CC#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000126498804 509088271 /nfs/dbraw/zinc/08/82/71/509088271.db2.gz BGDAYOVPBDXDLW-UHFFFAOYSA-N -1 3 362.838 2.894 20 30 FFEDHM N#CC(=C([O-])c1ccc(OCC(F)F)nc1)c1nnc2n1CCCCC2 ZINC000156158613 509136839 /nfs/dbraw/zinc/13/68/39/509136839.db2.gz WEXLWXHKTCCAAX-LBPRGKRZSA-N -1 3 361.352 2.533 20 30 FFEDHM CC[C@@H]1Oc2cc([C@H](C)/N=C/c3c([O-])c(C)ncc3CO)ccc2NC1=O ZINC000266774188 509187363 /nfs/dbraw/zinc/18/73/63/509187363.db2.gz YYZDTHHUIXIIBM-UXTTWBJZSA-N -1 3 369.421 2.878 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000266891434 509243571 /nfs/dbraw/zinc/24/35/71/509243571.db2.gz FLGOFKKMBRXHBV-UHFFFAOYSA-N -1 3 356.426 2.810 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)c1 ZINC000186279357 509620640 /nfs/dbraw/zinc/62/06/40/509620640.db2.gz KSNZSIHBAKCMNS-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(C#N)cc2)c1 ZINC000173538776 509647477 /nfs/dbraw/zinc/64/74/77/509647477.db2.gz ZHBCGHLZOSCOQB-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000176733885 509664525 /nfs/dbraw/zinc/66/45/25/509664525.db2.gz QLUDQBQLKQERSE-UHFFFAOYSA-N -1 3 358.341 2.640 20 30 FFEDHM COc1cccc([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCCC2)c1 ZINC000189874771 509802880 /nfs/dbraw/zinc/80/28/80/509802880.db2.gz LKHDWCBASMGQHK-IBGZPJMESA-N -1 3 365.433 2.839 20 30 FFEDHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cs1 ZINC000183633277 509897336 /nfs/dbraw/zinc/89/73/36/509897336.db2.gz XODQJVBZQLCFQY-UHFFFAOYSA-N -1 3 355.872 2.752 20 30 FFEDHM CCCOc1ccc(/C=N/CC(=O)N(C)CCc2ccccn2)c([O-])c1 ZINC000171157224 509975435 /nfs/dbraw/zinc/97/54/35/509975435.db2.gz KMJKQXAFMFTDTN-KGENOOAVSA-N -1 3 355.438 2.696 20 30 FFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187056856 510031764 /nfs/dbraw/zinc/03/17/64/510031764.db2.gz FQYTYJHMTGHFCF-STQMWFEESA-N -1 3 359.875 2.998 20 30 FFEDHM C[C@@H](C#N)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184086289 510124422 /nfs/dbraw/zinc/12/44/22/510124422.db2.gz ILPRQMOVDBXLCV-KSSFIOAISA-N -1 3 351.406 2.529 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262244860 510219940 /nfs/dbraw/zinc/21/99/40/510219940.db2.gz YNLUJJYZZLBRFT-YZVOILCLSA-N -1 3 362.495 2.838 20 30 FFEDHM Cn1ccnc1-c1noc([N-]Cc2cccn2Cc2ccccc2C#N)n1 ZINC000187891843 510490572 /nfs/dbraw/zinc/49/05/72/510490572.db2.gz XPYARIXMDXPDDB-UHFFFAOYSA-N -1 3 359.393 2.804 20 30 FFEDHM C=CC[C@@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1(C)C ZINC000278194478 510985233 /nfs/dbraw/zinc/98/52/33/510985233.db2.gz RSZKYZGILZCQSZ-INIZCTEOSA-N -1 3 366.483 2.971 20 30 FFEDHM CC(C)(C#N)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000279507330 511108948 /nfs/dbraw/zinc/10/89/48/511108948.db2.gz TYZURMHNCRDFNL-UHFFFAOYSA-N -1 3 363.361 2.955 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOCc2ccccc21 ZINC000279552559 511125262 /nfs/dbraw/zinc/12/52/62/511125262.db2.gz TWUNIIYGWUORID-UHFFFAOYSA-N -1 3 351.406 2.772 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)cc1Cl ZINC000280164500 511359718 /nfs/dbraw/zinc/35/97/18/511359718.db2.gz BDUHWEQEMDKVKP-LLVKDONJSA-N -1 3 366.830 2.630 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000272198829 511461510 /nfs/dbraw/zinc/46/15/10/511461510.db2.gz MAPMMTOVSUODNI-KRWDZBQOSA-N -1 3 373.840 2.712 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000295662960 511475059 /nfs/dbraw/zinc/47/50/59/511475059.db2.gz GJZKGPUIKIGGKR-ONGXEEELSA-N -1 3 361.236 2.949 20 30 FFEDHM CC1(C#N)CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000280475824 511479583 /nfs/dbraw/zinc/47/95/83/511479583.db2.gz NKNYGLWYWXLCIE-GOSISDBHSA-N -1 3 363.417 2.625 20 30 FFEDHM N#CCN1CCC[C@@H](CNC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000295713344 511492134 /nfs/dbraw/zinc/49/21/34/511492134.db2.gz CXKUPDQUKJNUAT-INIZCTEOSA-N -1 3 351.450 2.830 20 30 FFEDHM O=C(CNCC(F)(F)F)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000272833826 511509620 /nfs/dbraw/zinc/50/96/20/511509620.db2.gz PEMPSZRTTNUNGU-SNVBAGLBSA-N -1 3 350.209 2.836 20 30 FFEDHM Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c([O-])c1O ZINC000272879938 511511006 /nfs/dbraw/zinc/51/10/06/511511006.db2.gz XNJSVKZTDJKOOF-UHFFFAOYSA-N -1 3 352.390 2.962 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000310054594 511771064 /nfs/dbraw/zinc/77/10/64/511771064.db2.gz UKFWHWLHOAPSMT-HNNXBMFYSA-N -1 3 361.492 2.563 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000320603001 511815738 /nfs/dbraw/zinc/81/57/38/511815738.db2.gz BPDBGUWGLDDFDV-SNVBAGLBSA-N -1 3 357.781 2.964 20 30 FFEDHM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000328662054 511910425 /nfs/dbraw/zinc/91/04/25/511910425.db2.gz XANBVWOSZBKFLO-NSHDSACASA-N -1 3 361.421 2.950 20 30 FFEDHM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000328662054 511910431 /nfs/dbraw/zinc/91/04/31/511910431.db2.gz XANBVWOSZBKFLO-NSHDSACASA-N -1 3 361.421 2.950 20 30 FFEDHM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000328662054 511910433 /nfs/dbraw/zinc/91/04/33/511910433.db2.gz XANBVWOSZBKFLO-NSHDSACASA-N -1 3 361.421 2.950 20 30 FFEDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1cccc(C)c1C ZINC000274700260 511915232 /nfs/dbraw/zinc/91/52/32/511915232.db2.gz YFFIANFMMICIBZ-INIZCTEOSA-N -1 3 352.456 2.521 20 30 FFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C12CCCC2 ZINC000329267843 512017923 /nfs/dbraw/zinc/01/79/23/512017923.db2.gz HWOKOVUFZCTNLA-VXGBXAGGSA-N -1 3 373.500 2.767 20 30 FFEDHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000285223962 512043967 /nfs/dbraw/zinc/04/39/67/512043967.db2.gz APTCRBORTWZXDE-PWSUYJOCSA-N -1 3 362.373 2.528 20 30 FFEDHM Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)nn1-c1cccc(C#N)c1 ZINC000364423220 512108045 /nfs/dbraw/zinc/10/80/45/512108045.db2.gz WMYNAFDMRQDHFA-UHFFFAOYSA-N -1 3 374.326 2.601 20 30 FFEDHM C[C@H](NC(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(C)(F)F ZINC000411578136 512699939 /nfs/dbraw/zinc/69/99/39/512699939.db2.gz RQGZAZXSOIVUET-QUBYGPBYSA-N -1 3 374.256 2.844 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](C(=O)Nc3nnc(-c4ccco4)[n-]3)C2)c(F)c1 ZINC000376190449 512702371 /nfs/dbraw/zinc/70/23/71/512702371.db2.gz VQAUYZXJFKYEPE-LBPRGKRZSA-N -1 3 366.356 2.540 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](C(=O)Nc3nc(-c4ccco4)n[n-]3)C2)c(F)c1 ZINC000376190449 512702375 /nfs/dbraw/zinc/70/23/75/512702375.db2.gz VQAUYZXJFKYEPE-LBPRGKRZSA-N -1 3 366.356 2.540 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](C(=O)Nc3n[n-]c(-c4ccco4)n3)C2)c(F)c1 ZINC000376190449 512702380 /nfs/dbraw/zinc/70/23/80/512702380.db2.gz VQAUYZXJFKYEPE-LBPRGKRZSA-N -1 3 366.356 2.540 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)cc1C#N ZINC000392195896 512922292 /nfs/dbraw/zinc/92/22/92/512922292.db2.gz CIWRLHKBQHPTSD-UHFFFAOYSA-N -1 3 355.341 2.759 20 30 FFEDHM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000368396168 512929313 /nfs/dbraw/zinc/92/93/13/512929313.db2.gz AAEFHQTXYLHUIX-SFHVURJKSA-N -1 3 367.453 2.614 20 30 FFEDHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000446753556 513331133 /nfs/dbraw/zinc/33/11/33/513331133.db2.gz MECWPFXTYOYIKC-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435164958 513525991 /nfs/dbraw/zinc/52/59/91/513525991.db2.gz IFUXFUMCLPPHDF-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM C=CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000448597584 513800070 /nfs/dbraw/zinc/80/00/70/513800070.db2.gz PHLYZWGKNMTMEF-UHFFFAOYSA-N -1 3 350.362 2.678 20 30 FFEDHM CCSCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416520896 513815502 /nfs/dbraw/zinc/81/55/02/513815502.db2.gz HAHYYUANPAISBO-UHFFFAOYSA-N -1 3 363.302 2.742 20 30 FFEDHM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443006226 513841680 /nfs/dbraw/zinc/84/16/80/513841680.db2.gz HRULWJDTZOROKO-OAHLLOKOSA-N -1 3 357.391 2.741 20 30 FFEDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443086495 513868466 /nfs/dbraw/zinc/86/84/66/513868466.db2.gz OJJNVWADUCLPRN-CYBMUJFWSA-N -1 3 355.891 2.754 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)c(C)o1 ZINC000416667296 513898123 /nfs/dbraw/zinc/89/81/23/513898123.db2.gz YHKJDDPNBNNSRP-HNNXBMFYSA-N -1 3 374.418 2.602 20 30 FFEDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OC ZINC000451671832 513901561 /nfs/dbraw/zinc/90/15/61/513901561.db2.gz GUZJGRHDELVUIO-MFKMUULPSA-N -1 3 364.389 2.916 20 30 FFEDHM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000451701105 513922140 /nfs/dbraw/zinc/92/21/40/513922140.db2.gz ZIOHMAPUJXWWMU-OCCSQVGLSA-N -1 3 370.858 2.612 20 30 FFEDHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443362489 513948645 /nfs/dbraw/zinc/94/86/45/513948645.db2.gz YMXBKRQQBHCNLO-MLGOLLRUSA-N -1 3 356.875 2.941 20 30 FFEDHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)OC ZINC000443505877 513983339 /nfs/dbraw/zinc/98/33/39/513983339.db2.gz CFZNVYOEDXTACO-HNNXBMFYSA-N -1 3 369.443 2.586 20 30 FFEDHM CCc1ccc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c([O-])c1 ZINC000436828172 513999469 /nfs/dbraw/zinc/99/94/69/513999469.db2.gz XEZOVJYEBNQJSW-HNNXBMFYSA-N -1 3 370.405 2.975 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000451902475 514057979 /nfs/dbraw/zinc/05/79/79/514057979.db2.gz OMJPAUIIDMFLFI-MNOVXSKESA-N -1 3 369.336 2.736 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1cc(C)cc(C)c1 ZINC000443896383 514065975 /nfs/dbraw/zinc/06/59/75/514065975.db2.gz LKYARZXGJQWMAJ-SFHVURJKSA-N -1 3 372.446 2.676 20 30 FFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)C2(CC(=O)OCC)CC2)c1 ZINC000414379683 514078031 /nfs/dbraw/zinc/07/80/31/514078031.db2.gz JFBGHWXUACMZPW-UHFFFAOYSA-N -1 3 353.440 2.869 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(=O)OCC ZINC000451996288 514122650 /nfs/dbraw/zinc/12/26/50/514122650.db2.gz PPOCHALAFFBNID-ZDUSSCGKSA-N -1 3 361.847 2.525 20 30 FFEDHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427140402 514128558 /nfs/dbraw/zinc/12/85/58/514128558.db2.gz QPNUMDFKRLAZRB-UHFFFAOYSA-N -1 3 364.814 2.674 20 30 FFEDHM C=C[C@@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1 ZINC000432796781 514288626 /nfs/dbraw/zinc/28/86/26/514288626.db2.gz JGVJGPBTXVEDSP-CYBMUJFWSA-N -1 3 360.439 2.720 20 30 FFEDHM Cc1cccc(O[C@@H]2CCCC[C@H]2[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428373134 514459718 /nfs/dbraw/zinc/45/97/18/514459718.db2.gz KOYPIAUCAVLIIS-SJLPKXTDSA-N -1 3 371.462 2.930 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000428378621 514461245 /nfs/dbraw/zinc/46/12/45/514461245.db2.gz APYWPHBJQOVCRR-JOYOIKCWSA-N -1 3 351.790 2.580 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1csc(-c2ccccc2)n1 ZINC000428394040 514465347 /nfs/dbraw/zinc/46/53/47/514465347.db2.gz RSDGQNSFWMKGHB-UHFFFAOYSA-N -1 3 370.459 2.598 20 30 FFEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1c(F)cccc1C#N ZINC000461246201 514551578 /nfs/dbraw/zinc/55/15/78/514551578.db2.gz WSSXHTNELPBOMS-UHFFFAOYSA-N -1 3 369.787 2.749 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1C#N ZINC000479793666 514725048 /nfs/dbraw/zinc/72/50/48/514725048.db2.gz DCYZMTAUKGJSFX-UHFFFAOYSA-N -1 3 362.465 2.749 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000489651975 514928864 /nfs/dbraw/zinc/92/88/64/514928864.db2.gz GIDJYYKNISFYEY-FUHWJXTLSA-N -1 3 365.495 2.924 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1noc(-c2ccccc2)n1 ZINC000489681708 514936256 /nfs/dbraw/zinc/93/62/56/514936256.db2.gz UWQKNQUQHOWHCU-LLVKDONJSA-N -1 3 372.381 2.787 20 30 FFEDHM N#C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000509097322 515022606 /nfs/dbraw/zinc/02/26/06/515022606.db2.gz QTGPBZULNNODOW-NSPYISDASA-N -1 3 355.344 2.516 20 30 FFEDHM C=CCC[C@@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000503449192 515037240 /nfs/dbraw/zinc/03/72/40/515037240.db2.gz CDYMKFXECQFFDA-QGZVFWFLSA-N -1 3 359.451 2.890 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)c(F)c1 ZINC000480681880 515042114 /nfs/dbraw/zinc/04/21/14/515042114.db2.gz NDTPZKHKIWCOBQ-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM Cc1cccc2nc(C[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cn21 ZINC000503470217 515045879 /nfs/dbraw/zinc/04/58/79/515045879.db2.gz ONCUESVSWRAWOG-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCCCC1 ZINC000503507340 515060347 /nfs/dbraw/zinc/06/03/47/515060347.db2.gz QENCCDKDAMQZDR-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM N#Cc1ccc(OCC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000467720230 515093891 /nfs/dbraw/zinc/09/38/91/515093891.db2.gz LKBKVIOVNUBVIB-UHFFFAOYSA-N -1 3 354.316 2.666 20 30 FFEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccco1 ZINC000498893087 515104685 /nfs/dbraw/zinc/10/46/85/515104685.db2.gz RBJTUPYADPIHAO-OAHLLOKOSA-N -1 3 353.488 2.666 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c1 ZINC000467990583 515188375 /nfs/dbraw/zinc/18/83/75/515188375.db2.gz NMJHPNKHFFHVSN-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c1C#N ZINC000476772756 515190029 /nfs/dbraw/zinc/19/00/29/515190029.db2.gz CEIZVDVAKLIDRR-UHFFFAOYSA-N -1 3 362.777 2.855 20 30 FFEDHM N#Cc1c(F)cccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000509524111 515217632 /nfs/dbraw/zinc/21/76/32/515217632.db2.gz DESJPYGYBHJAGA-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)o1 ZINC000490621110 515264549 /nfs/dbraw/zinc/26/45/49/515264549.db2.gz PHAASPZTOWQMPQ-UHFFFAOYSA-N -1 3 351.403 2.566 20 30 FFEDHM C=C(C)CN(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472486294 515286535 /nfs/dbraw/zinc/28/65/35/515286535.db2.gz PVTSLBGUTASGMQ-UHFFFAOYSA-N -1 3 350.362 2.725 20 30 FFEDHM N[C@](C(=O)[N-]CC(F)F)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000499534609 515360099 /nfs/dbraw/zinc/36/00/99/515360099.db2.gz YDNSFMWGHQWMEA-JTQLQIEISA-N -1 3 350.209 2.803 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493769732 515662272 /nfs/dbraw/zinc/66/22/72/515662272.db2.gz SNEHSKKLLYNWGZ-SECBINFHSA-N -1 3 368.680 2.565 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1c(F)cncc1F ZINC000511047869 515756501 /nfs/dbraw/zinc/75/65/01/515756501.db2.gz ZQAFIXDCICQKCC-MRVPVSSYSA-N -1 3 357.769 2.924 20 30 FFEDHM C=C(C)CCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000454859434 515794738 /nfs/dbraw/zinc/79/47/38/515794738.db2.gz SLJQVUOOBJYWAS-UHFFFAOYSA-N -1 3 357.451 2.990 20 30 FFEDHM CC[C@@H](C#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469617922 515893259 /nfs/dbraw/zinc/89/32/59/515893259.db2.gz BMKCFUYYRFWLBG-QMMMGPOBSA-N -1 3 368.618 2.976 20 30 FFEDHM CC[C@@H](C#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469617922 515893269 /nfs/dbraw/zinc/89/32/69/515893269.db2.gz BMKCFUYYRFWLBG-QMMMGPOBSA-N -1 3 368.618 2.976 20 30 FFEDHM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000478798484 515967758 /nfs/dbraw/zinc/96/77/58/515967758.db2.gz NXWFZAXWGYPAFQ-ZDUSSCGKSA-N -1 3 361.398 2.658 20 30 FFEDHM C=CCOc1cccc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000495064364 516053615 /nfs/dbraw/zinc/05/36/15/516053615.db2.gz CLJHVOJVJOGGJT-HXUWFJFHSA-N -1 3 365.389 2.558 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1CCOc1ccc(F)cc1 ZINC000501323692 516062928 /nfs/dbraw/zinc/06/29/28/516062928.db2.gz JILZOMUWAAUJAB-MRXNPFEDSA-N -1 3 365.368 2.690 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c(F)c1 ZINC000479123461 516066495 /nfs/dbraw/zinc/06/64/95/516066495.db2.gz KDRHJPINNSJGRA-SFHVURJKSA-N -1 3 360.410 2.564 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000543619828 516330567 /nfs/dbraw/zinc/33/05/67/516330567.db2.gz KADOLZUHCLDDPU-ZDUSSCGKSA-N -1 3 372.780 2.502 20 30 FFEDHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000543619532 516331748 /nfs/dbraw/zinc/33/17/48/516331748.db2.gz DHMFPFHDTPYWMK-UHFFFAOYSA-N -1 3 371.418 2.865 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000561098552 516377098 /nfs/dbraw/zinc/37/70/98/516377098.db2.gz AVHVOVXKJPMQTL-VIFPVBQESA-N -1 3 368.680 2.565 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000528452438 516447331 /nfs/dbraw/zinc/44/73/31/516447331.db2.gz WLQYSOACHVDROX-NSHDSACASA-N -1 3 362.373 2.672 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c(F)c1 ZINC000547715394 516518248 /nfs/dbraw/zinc/51/82/48/516518248.db2.gz REEVLQRDIFNEGW-CQSZACIVSA-N -1 3 350.346 2.639 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561342486 516531512 /nfs/dbraw/zinc/53/15/12/516531512.db2.gz JAOLNZUKVWVPLT-LBPRGKRZSA-N -1 3 368.256 2.968 20 30 FFEDHM COc1cc(=NC(=O)c2cccc(OCc3ccccc3C#N)c2)[n-]n1C ZINC000547816582 516578438 /nfs/dbraw/zinc/57/84/38/516578438.db2.gz DMPRLDDSCVVJSJ-UHFFFAOYSA-N -1 3 362.389 2.554 20 30 FFEDHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000540486822 516579055 /nfs/dbraw/zinc/57/90/55/516579055.db2.gz VQJMUKDAYQISKJ-IRXDYDNUSA-N -1 3 360.410 2.930 20 30 FFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561527073 516632466 /nfs/dbraw/zinc/63/24/66/516632466.db2.gz IFOFZLLYJCDCMI-UHFFFAOYSA-N -1 3 353.241 2.689 20 30 FFEDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000536157726 516656646 /nfs/dbraw/zinc/65/66/46/516656646.db2.gz LPMLGQTYBBAKAY-ZDUSSCGKSA-N -1 3 362.426 2.863 20 30 FFEDHM C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C)cc1 ZINC000555120071 516791038 /nfs/dbraw/zinc/79/10/38/516791038.db2.gz NGWMYRXOYUUPDP-UHFFFAOYSA-N -1 3 374.528 2.671 20 30 FFEDHM COCCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000528922564 516798876 /nfs/dbraw/zinc/79/88/76/516798876.db2.gz XSDJHOJOHBEVAS-HNNXBMFYSA-N -1 3 360.801 2.534 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Cl)c1 ZINC000532121078 516809917 /nfs/dbraw/zinc/80/99/17/516809917.db2.gz RAGFTIHGEGZQKG-UHFFFAOYSA-N -1 3 368.817 2.880 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000544725407 516896826 /nfs/dbraw/zinc/89/68/26/516896826.db2.gz GLGWDTMIBPIGOB-HZPDHXFCSA-N -1 3 370.421 2.798 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1CN(C)C ZINC000558709301 516901882 /nfs/dbraw/zinc/90/18/82/516901882.db2.gz ABHQRSRLOKGZJF-UHFFFAOYSA-N -1 3 352.438 2.909 20 30 FFEDHM CC[C@](C)(C#N)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000544894315 516978893 /nfs/dbraw/zinc/97/88/93/516978893.db2.gz PDOYMPHRJZRHRZ-GOSISDBHSA-N -1 3 372.450 2.760 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1[N+](=O)[O-] ZINC000562336662 517040092 /nfs/dbraw/zinc/04/00/92/517040092.db2.gz RZBHRPOPSVTQCW-UHFFFAOYSA-N -1 3 363.370 2.819 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541538405 517102227 /nfs/dbraw/zinc/10/22/27/517102227.db2.gz QIZKTHCZYWRZKQ-UHFFFAOYSA-N -1 3 354.266 2.786 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000562467431 517129267 /nfs/dbraw/zinc/12/92/67/517129267.db2.gz DHQIGVVHEKGDIK-UHFFFAOYSA-N -1 3 361.854 2.964 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCc1cccs1 ZINC000559641782 517359193 /nfs/dbraw/zinc/35/91/93/517359193.db2.gz MGVZNGRZRYJGMB-UHFFFAOYSA-N -1 3 371.281 2.903 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO[C@@H]1C1CC1 ZINC000545927998 517440729 /nfs/dbraw/zinc/44/07/29/517440729.db2.gz WZFJPEZXWNUJAI-HZPDHXFCSA-N -1 3 354.859 2.695 20 30 FFEDHM C[C@H](CCC#N)Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000559982446 517517141 /nfs/dbraw/zinc/51/71/41/517517141.db2.gz FAKTYNWKHRPKSD-SECBINFHSA-N -1 3 357.439 2.889 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1C#N ZINC000559989659 517520737 /nfs/dbraw/zinc/52/07/37/517520737.db2.gz AXDPBDWNLHFOSS-JKSUJKDBSA-N -1 3 368.462 2.556 20 30 FFEDHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000533555112 517523452 /nfs/dbraw/zinc/52/34/52/517523452.db2.gz FPOFURRVVXPIML-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC2CCCC2)cc1 ZINC000520968376 517563681 /nfs/dbraw/zinc/56/36/81/517563681.db2.gz QNEYSACGKURHKB-CYBMUJFWSA-N -1 3 370.496 2.694 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)c(F)c1 ZINC000530432884 517773098 /nfs/dbraw/zinc/77/30/98/517773098.db2.gz HPSMQSLFNGNVLS-UHFFFAOYSA-N -1 3 374.315 2.916 20 30 FFEDHM CCCCn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c(C)n1 ZINC000539114948 517920367 /nfs/dbraw/zinc/92/03/67/517920367.db2.gz OFHQQQQYACYOJO-UHFFFAOYSA-N -1 3 366.874 2.995 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)c1 ZINC000534683931 517998760 /nfs/dbraw/zinc/99/87/60/517998760.db2.gz QNSPTXUCZHYYHB-UHFFFAOYSA-N -1 3 370.434 2.588 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c1 ZINC000534683931 517998773 /nfs/dbraw/zinc/99/87/73/517998773.db2.gz QNSPTXUCZHYYHB-UHFFFAOYSA-N -1 3 370.434 2.588 20 30 FFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2nccn21 ZINC000563680958 518064970 /nfs/dbraw/zinc/06/49/70/518064970.db2.gz HVHDJRBYZXLAFS-CABZTGNLSA-N -1 3 370.356 2.758 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000566828441 518219555 /nfs/dbraw/zinc/21/95/55/518219555.db2.gz OGVOBOPHLDCKSF-ABAIWWIYSA-N -1 3 374.890 2.970 20 30 FFEDHM CCOc1cc([N-]C(=O)c2cnccc2C#N)c([N+](=O)[O-])cc1OCC ZINC000564052403 518285180 /nfs/dbraw/zinc/28/51/80/518285180.db2.gz CNXKYNQQPDJEDM-UHFFFAOYSA-N -1 3 356.338 2.911 20 30 FFEDHM C=CCn1c2nnc(SCc3ncccc3[O-])n2c2ccccc2c1=O ZINC000581466898 518297531 /nfs/dbraw/zinc/29/75/31/518297531.db2.gz YEIFZJDLYYJTCB-UHFFFAOYSA-N -1 3 365.418 2.623 20 30 FFEDHM C[C@@](C#N)(NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CCCCC1 ZINC000572750686 518344602 /nfs/dbraw/zinc/34/46/02/518344602.db2.gz IKVRJHPDAFYAOB-KRWDZBQOSA-N -1 3 367.446 2.790 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)CCCC1 ZINC000564689178 518564175 /nfs/dbraw/zinc/56/41/75/518564175.db2.gz MFHDZQYNZJYWLA-UHFFFAOYSA-N -1 3 371.462 2.782 20 30 FFEDHM CC(C)(C)CCOc1cnccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000567540922 518574761 /nfs/dbraw/zinc/57/47/61/518574761.db2.gz IRTSRZZPPMHBBX-UHFFFAOYSA-N -1 3 374.466 2.642 20 30 FFEDHM COc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(Br)c1 ZINC000579400183 518661956 /nfs/dbraw/zinc/66/19/56/518661956.db2.gz KBTNZYMROJMANB-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000564878050 518669875 /nfs/dbraw/zinc/66/98/75/518669875.db2.gz RMBAOZTUEKMRTE-ONGXEEELSA-N -1 3 366.302 2.688 20 30 FFEDHM CC[C@]1(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)OCCc2ccccc21 ZINC000589235952 518960332 /nfs/dbraw/zinc/96/03/32/518960332.db2.gz QLHRHJNHVWMCET-HXUWFJFHSA-N -1 3 370.474 2.856 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000589596493 519037481 /nfs/dbraw/zinc/03/74/81/519037481.db2.gz CEQYFFGFGPBLTB-CQSZACIVSA-N -1 3 373.272 2.818 20 30 FFEDHM N#Cc1cccc(OC2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)c1 ZINC000565960122 519218959 /nfs/dbraw/zinc/21/89/59/519218959.db2.gz XLOKBVYRPAAPRW-UHFFFAOYSA-N -1 3 364.405 2.615 20 30 FFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cn([C@@H]4CCOC4)nn3)sc2C1 ZINC000571829093 519295085 /nfs/dbraw/zinc/29/50/85/519295085.db2.gz IQQHZIDGZUAPPQ-WDEREUQCSA-N -1 3 357.439 2.550 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC(C)(C)C ZINC000571916431 519346525 /nfs/dbraw/zinc/34/65/25/519346525.db2.gz ZVVXWAXWECUELK-MRXNPFEDSA-N -1 3 366.483 2.538 20 30 FFEDHM Cc1cncc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000569484979 519576626 /nfs/dbraw/zinc/57/66/26/519576626.db2.gz VQRBGFCDVMLVIW-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM CO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000569564537 519612638 /nfs/dbraw/zinc/61/26/38/519612638.db2.gz QYPWYBDTOIFSLQ-IRXDYDNUSA-N -1 3 357.454 2.624 20 30 FFEDHM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594478432 519987708 /nfs/dbraw/zinc/98/77/08/519987708.db2.gz GMIDJFVIVRLTPP-NSHDSACASA-N -1 3 369.368 2.882 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000594490288 520000106 /nfs/dbraw/zinc/00/01/06/520000106.db2.gz SMAHVWONJMDKJK-TZMCWYRMSA-N -1 3 362.373 2.531 20 30 FFEDHM N#Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc1N ZINC000594546620 520019964 /nfs/dbraw/zinc/01/99/64/520019964.db2.gz VAUDGILWUVJLGW-UHFFFAOYSA-N -1 3 371.828 2.750 20 30 FFEDHM Cn1cc(Br)c(=NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[n-]1 ZINC000603046494 520046137 /nfs/dbraw/zinc/04/61/37/520046137.db2.gz CBQSBCICBVRSFX-CQSZACIVSA-N -1 3 374.242 2.675 20 30 FFEDHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594757616 520138337 /nfs/dbraw/zinc/13/83/37/520138337.db2.gz IFYQNXWPUNZJIS-YGRLFVJLSA-N -1 3 352.481 2.767 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CO)CC1CCC1 ZINC000594773076 520149629 /nfs/dbraw/zinc/14/96/29/520149629.db2.gz RETWIOIBSQXVSE-CQSZACIVSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CO)C1CCC1 ZINC000594803654 520165827 /nfs/dbraw/zinc/16/58/27/520165827.db2.gz DGWJMJNPUADTDT-CQSZACIVSA-N -1 3 350.465 2.521 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1(CO)CC=CC1 ZINC000592096648 520180501 /nfs/dbraw/zinc/18/05/01/520180501.db2.gz ABDCZFSKRRNLKZ-INIZCTEOSA-N -1 3 368.886 2.843 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1(F)F ZINC000594858591 520194219 /nfs/dbraw/zinc/19/42/19/520194219.db2.gz SZGWYVAUNPBWKP-LLVKDONJSA-N -1 3 365.199 2.644 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000617036696 520296755 /nfs/dbraw/zinc/29/67/55/520296755.db2.gz DBANPKFFUYOJMF-MJBXVCDLSA-N -1 3 356.513 2.666 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1)C(C)C ZINC000592382095 520360052 /nfs/dbraw/zinc/36/00/52/520360052.db2.gz HVJSIYCVINGBBT-KBPBESRZSA-N -1 3 364.389 2.860 20 30 FFEDHM CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1(C#N)CCC1 ZINC000609576932 520363405 /nfs/dbraw/zinc/36/34/05/520363405.db2.gz QUONICIYCKTKQL-UHFFFAOYSA-N -1 3 360.211 2.809 20 30 FFEDHM N#CC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000609576920 520363639 /nfs/dbraw/zinc/36/36/39/520363639.db2.gz MCVGGDZIAINLEW-UHFFFAOYSA-N -1 3 360.211 2.666 20 30 FFEDHM N#CCCN(CCC#N)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000609577134 520364235 /nfs/dbraw/zinc/36/42/35/520364235.db2.gz QBYGNIJSDZDKSD-UHFFFAOYSA-N -1 3 373.210 2.560 20 30 FFEDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000595352372 520423584 /nfs/dbraw/zinc/42/35/84/520423584.db2.gz DIRLENJCPCILMP-MSOLQXFVSA-N -1 3 362.426 2.734 20 30 FFEDHM C[C@H](C#N)N(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CC1 ZINC000598130845 520444862 /nfs/dbraw/zinc/44/48/62/520444862.db2.gz HZVTZZBSBNZBHP-SECBINFHSA-N -1 3 365.311 2.943 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)c1 ZINC000617624131 520611857 /nfs/dbraw/zinc/61/18/57/520611857.db2.gz QVJCNJNVQSYCJS-SFHVURJKSA-N -1 3 367.474 2.611 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1cc(I)ccc1[O-] ZINC000610485752 520712426 /nfs/dbraw/zinc/71/24/26/520712426.db2.gz CYXNCMWZCNVORO-SECBINFHSA-N -1 3 361.179 2.917 20 30 FFEDHM CCc1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1[O-] ZINC000610579011 520748048 /nfs/dbraw/zinc/74/80/48/520748048.db2.gz GVZXLYHFAVVNMZ-UHFFFAOYSA-N -1 3 366.421 2.654 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]2CCCO[C@@H]21 ZINC000611025018 520951906 /nfs/dbraw/zinc/95/19/06/520951906.db2.gz YTSJMOWMHLOEJK-VQISRLSMSA-N -1 3 354.859 2.694 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000593534393 521057322 /nfs/dbraw/zinc/05/73/22/521057322.db2.gz KYUXMYGCZMVCBN-CZUORRHYSA-N -1 3 366.439 2.957 20 30 FFEDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593568439 521081435 /nfs/dbraw/zinc/08/14/35/521081435.db2.gz SOGIPCKXMYCNHD-UHFFFAOYSA-N -1 3 350.465 2.884 20 30 FFEDHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C2CC2)no1 ZINC000593599716 521100476 /nfs/dbraw/zinc/10/04/76/521100476.db2.gz CWXMNFSTJZPQJK-GOSISDBHSA-N -1 3 374.466 2.783 20 30 FFEDHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C2CC2)no1 ZINC000593599718 521101042 /nfs/dbraw/zinc/10/10/42/521101042.db2.gz CWXMNFSTJZPQJK-SFHVURJKSA-N -1 3 374.466 2.783 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CCOCC1 ZINC000593604181 521103589 /nfs/dbraw/zinc/10/35/89/521103589.db2.gz IHSBCFZRTKYTME-UHFFFAOYSA-N -1 3 362.476 2.690 20 30 FFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)o1 ZINC000599317119 521146781 /nfs/dbraw/zinc/14/67/81/521146781.db2.gz RDZIOAUBMFETBT-UHFFFAOYSA-N -1 3 359.329 2.660 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3ccc([O-])c(F)c3)CC2)c1 ZINC000593886924 521272458 /nfs/dbraw/zinc/27/24/58/521272458.db2.gz TVHKBOPCQGIFLJ-UHFFFAOYSA-N -1 3 353.397 2.797 20 30 FFEDHM CC(C)(C)n1nnc(C(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)n1 ZINC000596844412 521327267 /nfs/dbraw/zinc/32/72/67/521327267.db2.gz XNVVOXSKMMQTPK-UHFFFAOYSA-N -1 3 367.438 2.599 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594069586 521386940 /nfs/dbraw/zinc/38/69/40/521386940.db2.gz CAPLQGAMWFUJCA-MJGOQNOKSA-N -1 3 357.454 2.672 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1Br ZINC000594296022 521544395 /nfs/dbraw/zinc/54/43/95/521544395.db2.gz FPNDTMFZIIRKAH-CYBMUJFWSA-N -1 3 373.210 2.817 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000619752793 521854568 /nfs/dbraw/zinc/85/45/68/521854568.db2.gz XMISYGLJHPFRLF-UHFFFAOYSA-N -1 3 369.761 2.737 20 30 FFEDHM C=C(C)COCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482234528 561250833 /nfs/dbraw/zinc/25/08/33/561250833.db2.gz AYTPTLLVFNBRHY-UHFFFAOYSA-N -1 3 353.220 2.811 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000491054329 561442439 /nfs/dbraw/zinc/44/24/39/561442439.db2.gz UZBOYBJFBKXEGS-OAHLLOKOSA-N -1 3 364.352 2.935 20 30 FFEDHM C#CCSCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735387785 598849395 /nfs/dbraw/zinc/84/93/95/598849395.db2.gz FWFRQZUSTVIAGI-UHFFFAOYSA-N -1 3 363.446 2.630 20 30 FFEDHM C#CCSCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735387785 598849396 /nfs/dbraw/zinc/84/93/96/598849396.db2.gz FWFRQZUSTVIAGI-UHFFFAOYSA-N -1 3 363.446 2.630 20 30 FFEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1-c1nnn[n-]1 ZINC000737719878 598914425 /nfs/dbraw/zinc/91/44/25/598914425.db2.gz YGGVUGXWJAPDGV-UHFFFAOYSA-N -1 3 362.368 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1-c1nn[n-]n1 ZINC000737719878 598914427 /nfs/dbraw/zinc/91/44/27/598914427.db2.gz YGGVUGXWJAPDGV-UHFFFAOYSA-N -1 3 362.368 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc3c(c2)CCCC3)ccc1-c1nnn[n-]1 ZINC000737710304 598914524 /nfs/dbraw/zinc/91/45/24/598914524.db2.gz WVWVPNSJOOJIBJ-UHFFFAOYSA-N -1 3 358.405 2.798 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc3c(c2)CCCC3)ccc1-c1nn[n-]n1 ZINC000737710304 598914526 /nfs/dbraw/zinc/91/45/26/598914526.db2.gz WVWVPNSJOOJIBJ-UHFFFAOYSA-N -1 3 358.405 2.798 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1-c1nnn[n-]1 ZINC000737718370 598927323 /nfs/dbraw/zinc/92/73/23/598927323.db2.gz IKCWRXXXPHVZLV-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1-c1nn[n-]n1 ZINC000737718370 598927324 /nfs/dbraw/zinc/92/73/24/598927324.db2.gz IKCWRXXXPHVZLV-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1-c1nnn[n-]1 ZINC000737718355 598928850 /nfs/dbraw/zinc/92/88/50/598928850.db2.gz IAMOZBVMCHWGQM-UHFFFAOYSA-N -1 3 363.362 2.707 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1-c1nn[n-]n1 ZINC000737718355 598928851 /nfs/dbraw/zinc/92/88/51/598928851.db2.gz IAMOZBVMCHWGQM-UHFFFAOYSA-N -1 3 363.362 2.707 20 30 FFEDHM COc1cc(C#N)ccc1OCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000737034488 598938791 /nfs/dbraw/zinc/93/87/91/598938791.db2.gz JMOJUYKCBYYQTA-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM COc1cc(C#N)ccc1OCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000737034488 598938793 /nfs/dbraw/zinc/93/87/93/598938793.db2.gz JMOJUYKCBYYQTA-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM N#Cc1cccc(C=C2COCC(=Cc3cccc(-c4nnn[n-]4)c3)C2=O)c1 ZINC000737722514 599064040 /nfs/dbraw/zinc/06/40/40/599064040.db2.gz JVNGCAPXUCFKHO-VNIJRHKQSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1cccc(C=C2COCC(=Cc3cccc(-c4nn[n-]n4)c3)C2=O)c1 ZINC000737722514 599064042 /nfs/dbraw/zinc/06/40/42/599064042.db2.gz JVNGCAPXUCFKHO-VNIJRHKQSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737712733 599064323 /nfs/dbraw/zinc/06/43/23/599064323.db2.gz RMHKSCIDSGVNRB-MXYCIJPUSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737712733 599064326 /nfs/dbraw/zinc/06/43/26/599064326.db2.gz RMHKSCIDSGVNRB-MXYCIJPUSA-N -1 3 369.384 2.805 20 30 FFEDHM Cn1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1-c1ccccc1 ZINC000737594906 599192102 /nfs/dbraw/zinc/19/21/02/599192102.db2.gz YHRFPGVSGANUDL-UHFFFAOYSA-N -1 3 369.388 2.996 20 30 FFEDHM Cn1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1-c1ccccc1 ZINC000737594906 599192105 /nfs/dbraw/zinc/19/21/05/599192105.db2.gz YHRFPGVSGANUDL-UHFFFAOYSA-N -1 3 369.388 2.996 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)ccc1-c1nnn[n-]1 ZINC000737706283 599196343 /nfs/dbraw/zinc/19/63/43/599196343.db2.gz XAFCDKCEEMYQRH-KBPBESRZSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)ccc1-c1nn[n-]n1 ZINC000737706283 599196346 /nfs/dbraw/zinc/19/63/46/599196346.db2.gz XAFCDKCEEMYQRH-KBPBESRZSA-N -1 3 366.331 2.759 20 30 FFEDHM C=CCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735437532 598301613 /nfs/dbraw/zinc/30/16/13/598301613.db2.gz LDSOXWIDYRQBGN-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735437532 598301615 /nfs/dbraw/zinc/30/16/15/598301615.db2.gz LDSOXWIDYRQBGN-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C#CCOc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735381584 598494321 /nfs/dbraw/zinc/49/43/21/598494321.db2.gz WAROAVBUZZJWIO-UHFFFAOYSA-N -1 3 365.418 2.610 20 30 FFEDHM C#CCOc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381584 598494322 /nfs/dbraw/zinc/49/43/22/598494322.db2.gz WAROAVBUZZJWIO-UHFFFAOYSA-N -1 3 365.418 2.610 20 30 FFEDHM CCn1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1C ZINC000736727019 598640240 /nfs/dbraw/zinc/64/02/40/598640240.db2.gz AAAOCBFVYHHXEB-HJWRWDBZSA-N -1 3 365.441 2.652 20 30 FFEDHM CCn1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1C ZINC000736727019 598640242 /nfs/dbraw/zinc/64/02/42/598640242.db2.gz AAAOCBFVYHHXEB-HJWRWDBZSA-N -1 3 365.441 2.652 20 30 FFEDHM C=CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1C1CC1 ZINC000735447258 598642510 /nfs/dbraw/zinc/64/25/10/598642510.db2.gz DLZQTOCEMDIBAR-UHFFFAOYSA-N -1 3 357.418 2.953 20 30 FFEDHM C=CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1C1CC1 ZINC000735447258 598642512 /nfs/dbraw/zinc/64/25/12/598642512.db2.gz DLZQTOCEMDIBAR-UHFFFAOYSA-N -1 3 357.418 2.953 20 30 FFEDHM N#Cc1ccc(-c2ccn(CCOc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737709394 598802696 /nfs/dbraw/zinc/80/26/96/598802696.db2.gz KIOSKMYCWWQEGZ-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM N#Cc1ccc(-c2ccn(CCOc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737709394 598802697 /nfs/dbraw/zinc/80/26/97/598802697.db2.gz KIOSKMYCWWQEGZ-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC000735418155 598803052 /nfs/dbraw/zinc/80/30/52/598803052.db2.gz CLWQXRVLBFFEMO-YJBOKZPZSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC000735418155 598803053 /nfs/dbraw/zinc/80/30/53/598803053.db2.gz CLWQXRVLBFFEMO-YJBOKZPZSA-N -1 3 369.469 2.977 20 30 FFEDHM C#CCOc1ccc(F)cc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735380829 599329425 /nfs/dbraw/zinc/32/94/25/599329425.db2.gz MQXXIGAFFJBSML-UHFFFAOYSA-N -1 3 353.357 2.509 20 30 FFEDHM CCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000736635375 599460215 /nfs/dbraw/zinc/46/02/15/599460215.db2.gz BCUNYKADSHRQRP-RMKNXTFCSA-N -1 3 360.377 2.809 20 30 FFEDHM CCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000736635375 599460216 /nfs/dbraw/zinc/46/02/16/599460216.db2.gz BCUNYKADSHRQRP-RMKNXTFCSA-N -1 3 360.377 2.809 20 30 FFEDHM C=CCCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000735413385 599469474 /nfs/dbraw/zinc/46/94/74/599469474.db2.gz SYSXOKIQJMANBS-UHFFFAOYSA-N -1 3 358.471 2.899 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCC#Cc1ccccc1 ZINC000820536483 599625289 /nfs/dbraw/zinc/62/52/89/599625289.db2.gz UVDLRQIAMAPCFL-HNNXBMFYSA-N -1 3 362.389 2.619 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2SCCc3sccc32)ccc1-c1nnn[n-]1 ZINC000822822868 599631493 /nfs/dbraw/zinc/63/14/93/599631493.db2.gz FWWBKVQAAUGTPK-CQSZACIVSA-N -1 3 368.447 2.769 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2SCCc3sccc32)ccc1-c1nn[n-]n1 ZINC000822822868 599631494 /nfs/dbraw/zinc/63/14/94/599631494.db2.gz FWWBKVQAAUGTPK-CQSZACIVSA-N -1 3 368.447 2.769 20 30 FFEDHM C#Cc1cccc(N(CC)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000819709351 599637177 /nfs/dbraw/zinc/63/71/77/599637177.db2.gz DWARRWWAUOJLQE-UHFFFAOYSA-N -1 3 371.404 2.925 20 30 FFEDHM C#Cc1cccc(N(CC)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000819709351 599637178 /nfs/dbraw/zinc/63/71/78/599637178.db2.gz DWARRWWAUOJLQE-UHFFFAOYSA-N -1 3 371.404 2.925 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826256925 607390255 /nfs/dbraw/zinc/39/02/55/607390255.db2.gz GOLQFOKDQBFJRW-UHFFFAOYSA-N -1 3 363.377 2.673 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826256925 607390257 /nfs/dbraw/zinc/39/02/57/607390257.db2.gz GOLQFOKDQBFJRW-UHFFFAOYSA-N -1 3 363.377 2.673 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822254126 607463190 /nfs/dbraw/zinc/46/31/90/607463190.db2.gz ASBXUTNKBVXZHR-UHFFFAOYSA-N -1 3 355.402 2.635 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822254126 607463191 /nfs/dbraw/zinc/46/31/91/607463191.db2.gz ASBXUTNKBVXZHR-UHFFFAOYSA-N -1 3 355.402 2.635 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819751495 607481199 /nfs/dbraw/zinc/48/11/99/607481199.db2.gz WBRCODRUAMRVSY-UHFFFAOYSA-N -1 3 367.388 2.925 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000819751495 607481200 /nfs/dbraw/zinc/48/12/00/607481200.db2.gz WBRCODRUAMRVSY-UHFFFAOYSA-N -1 3 367.388 2.925 20 30 FFEDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000826044294 601202173 /nfs/dbraw/zinc/20/21/73/601202173.db2.gz DTTYOLYWCQSNGN-QAPCUYQASA-N -1 3 357.454 2.723 20 30 FFEDHM N#Cc1cccc([C@@H](NCc2ccccc2CN2CCCC2=O)C(=O)[O-])c1 ZINC000833076452 601300038 /nfs/dbraw/zinc/30/00/38/601300038.db2.gz VIMMQYHXFPRVOO-HXUWFJFHSA-N -1 3 363.417 2.596 20 30 FFEDHM Cc1cccc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)c1-c1nnn[n-]1 ZINC000826303996 607538019 /nfs/dbraw/zinc/53/80/19/607538019.db2.gz QGLRXHPYPJIRSG-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714715 602050767 /nfs/dbraw/zinc/05/07/67/602050767.db2.gz WXXQQIXZWBXKRM-NVXWUHKLSA-N -1 3 364.323 2.767 20 30 FFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(OC)c(C#N)c1 ZINC000825609709 607542321 /nfs/dbraw/zinc/54/23/21/607542321.db2.gz RRMPLVNWNWWAMG-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(OC)c(C#N)c1 ZINC000825609709 607542323 /nfs/dbraw/zinc/54/23/23/607542323.db2.gz RRMPLVNWNWWAMG-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM C=CCCCCCN(C)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823894477 607571821 /nfs/dbraw/zinc/57/18/21/607571821.db2.gz REZONNHQDAHFIT-UHFFFAOYSA-N -1 3 358.446 2.763 20 30 FFEDHM C=CCCCCCN(C)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823894477 607571822 /nfs/dbraw/zinc/57/18/22/607571822.db2.gz REZONNHQDAHFIT-UHFFFAOYSA-N -1 3 358.446 2.763 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000831066797 604220097 /nfs/dbraw/zinc/22/00/97/604220097.db2.gz YZJCGLWEWNBHPR-BPNCWPANSA-N -1 3 363.801 2.814 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000827590147 604221212 /nfs/dbraw/zinc/22/12/12/604221212.db2.gz XVSWRVGLXWTVNX-NUEKZKHPSA-N -1 3 357.410 2.723 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2n[nH]cc2c1 ZINC000819745418 606107073 /nfs/dbraw/zinc/10/70/73/606107073.db2.gz BVAGZEKDAVWUOT-UHFFFAOYSA-N -1 3 359.393 2.571 20 30 FFEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000822822725 606222252 /nfs/dbraw/zinc/22/22/52/606222252.db2.gz DGLDPCVIUYVTGN-UHFFFAOYSA-N -1 3 372.348 2.807 20 30 FFEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000822822725 606222254 /nfs/dbraw/zinc/22/22/54/606222254.db2.gz DGLDPCVIUYVTGN-UHFFFAOYSA-N -1 3 372.348 2.807 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000822922273 606302771 /nfs/dbraw/zinc/30/27/71/606302771.db2.gz FCLPRZHGVVSUBG-AATRIKPKSA-N -1 3 367.434 2.661 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000822922273 606302774 /nfs/dbraw/zinc/30/27/74/606302774.db2.gz FCLPRZHGVVSUBG-AATRIKPKSA-N -1 3 367.434 2.661 20 30 FFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821334640 606305024 /nfs/dbraw/zinc/30/50/24/606305024.db2.gz PUGFNXCENGVJDP-BQYQJAHWSA-N -1 3 368.418 2.930 20 30 FFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821334640 606305026 /nfs/dbraw/zinc/30/50/26/606305026.db2.gz PUGFNXCENGVJDP-BQYQJAHWSA-N -1 3 368.418 2.930 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCOC2=O)cc1 ZINC000822923548 606306584 /nfs/dbraw/zinc/30/65/84/606306584.db2.gz STOBPWQLERSVHL-WAYWQWQTSA-N -1 3 367.390 2.781 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCOC2=O)cc1 ZINC000822923548 606306586 /nfs/dbraw/zinc/30/65/86/606306586.db2.gz STOBPWQLERSVHL-WAYWQWQTSA-N -1 3 367.390 2.781 20 30 FFEDHM CCOC(=O)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)o1 ZINC000821342414 606338822 /nfs/dbraw/zinc/33/88/22/606338822.db2.gz BWOSYPZNCQMNQB-BENRWUELSA-N -1 3 364.361 2.849 20 30 FFEDHM CCOC(=O)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)o1 ZINC000821342414 606338824 /nfs/dbraw/zinc/33/88/24/606338824.db2.gz BWOSYPZNCQMNQB-BENRWUELSA-N -1 3 364.361 2.849 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548630 606352813 /nfs/dbraw/zinc/35/28/13/606352813.db2.gz DGSKCZBODJCPLW-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548630 606352815 /nfs/dbraw/zinc/35/28/15/606352815.db2.gz DGSKCZBODJCPLW-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM N#C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000822800960 606363526 /nfs/dbraw/zinc/36/35/26/606363526.db2.gz BWLPOXKILYGVRN-OAHLLOKOSA-N -1 3 356.455 2.547 20 30 FFEDHM N#C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000822800960 606363527 /nfs/dbraw/zinc/36/35/27/606363527.db2.gz BWLPOXKILYGVRN-OAHLLOKOSA-N -1 3 356.455 2.547 20 30 FFEDHM N#Cc1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000822845970 606478830 /nfs/dbraw/zinc/47/88/30/606478830.db2.gz KLNFIONGQOWTGU-UHFFFAOYSA-N -1 3 356.436 2.992 20 30 FFEDHM N#Cc1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000822845970 606478831 /nfs/dbraw/zinc/47/88/31/606478831.db2.gz KLNFIONGQOWTGU-UHFFFAOYSA-N -1 3 356.436 2.992 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820841790 606613720 /nfs/dbraw/zinc/61/37/20/606613720.db2.gz DQVHSDYUJMMURQ-HNNXBMFYSA-N -1 3 350.382 2.733 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820841998 606613853 /nfs/dbraw/zinc/61/38/53/606613853.db2.gz HZSYVPSTCDFJCZ-OAHLLOKOSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820841998 606613854 /nfs/dbraw/zinc/61/38/54/606613854.db2.gz HZSYVPSTCDFJCZ-OAHLLOKOSA-N -1 3 363.377 2.905 20 30 FFEDHM Cc1nc(C)c(C#N)c(SCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822427624 606867359 /nfs/dbraw/zinc/86/73/59/606867359.db2.gz RTTDDNSOLIHSGJ-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM Cc1nc(C)c(C#N)c(SCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822427624 606867360 /nfs/dbraw/zinc/86/73/60/606867360.db2.gz RTTDDNSOLIHSGJ-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM CCOCCC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCC1 ZINC000821373937 606958970 /nfs/dbraw/zinc/95/89/70/606958970.db2.gz OPLHZKATZOOBSX-UHFFFAOYSA-N -1 3 354.414 2.664 20 30 FFEDHM CCOCCC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCC1 ZINC000821373937 606958972 /nfs/dbraw/zinc/95/89/72/606958972.db2.gz OPLHZKATZOOBSX-UHFFFAOYSA-N -1 3 354.414 2.664 20 30 FFEDHM N#Cc1cccc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822837003 607014073 /nfs/dbraw/zinc/01/40/73/607014073.db2.gz DSJQVCUOULKBOA-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1cccc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822837003 607014075 /nfs/dbraw/zinc/01/40/75/607014075.db2.gz DSJQVCUOULKBOA-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM C=CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1C1CC1 ZINC000819766476 607037408 /nfs/dbraw/zinc/03/74/08/607037408.db2.gz ZITFYIFNIVMCJM-UHFFFAOYSA-N -1 3 357.418 2.953 20 30 FFEDHM C=CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1C1CC1 ZINC000819766476 607037410 /nfs/dbraw/zinc/03/74/10/607037410.db2.gz ZITFYIFNIVMCJM-UHFFFAOYSA-N -1 3 357.418 2.953 20 30 FFEDHM CN(C(=O)CSCc1ccc(C#N)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825820533 607786719 /nfs/dbraw/zinc/78/67/19/607786719.db2.gz JIBXTBWPEUZFCL-UHFFFAOYSA-N -1 3 364.434 2.635 20 30 FFEDHM CN(C(=O)CSCc1ccc(C#N)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825820533 607786720 /nfs/dbraw/zinc/78/67/20/607786720.db2.gz JIBXTBWPEUZFCL-UHFFFAOYSA-N -1 3 364.434 2.635 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000826402090 607884920 /nfs/dbraw/zinc/88/49/20/607884920.db2.gz MQQLSLNJMYFWRL-JXMROGBWSA-N -1 3 361.361 2.719 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCOC2=O)cc1 ZINC000826402090 607884921 /nfs/dbraw/zinc/88/49/21/607884921.db2.gz MQQLSLNJMYFWRL-JXMROGBWSA-N -1 3 361.361 2.719 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)cc21 ZINC000824783434 607885057 /nfs/dbraw/zinc/88/50/57/607885057.db2.gz GQFHVQBRNGVUHW-NTMALXAHSA-N -1 3 359.389 2.993 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)cc21 ZINC000824783434 607885058 /nfs/dbraw/zinc/88/50/58/607885058.db2.gz GQFHVQBRNGVUHW-NTMALXAHSA-N -1 3 359.389 2.993 20 30 FFEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nccn1C ZINC000825029437 607887389 /nfs/dbraw/zinc/88/73/89/607887389.db2.gz SJAPNTSTERKGCS-UHFFFAOYSA-N -1 3 364.335 2.845 20 30 FFEDHM FC(F)(F)c1cc(NN=Cc2cnc3ccccn23)ccc1-c1nnn[n-]1 ZINC000826368185 607888636 /nfs/dbraw/zinc/88/86/36/607888636.db2.gz FZEAVLWRDRGIKH-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM FC(F)(F)c1cc(NN=Cc2cnc3ccccn23)ccc1-c1nn[n-]n1 ZINC000826368185 607888637 /nfs/dbraw/zinc/88/86/37/607888637.db2.gz FZEAVLWRDRGIKH-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM C#Cc1cccc(N(CC)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)c1 ZINC000823861365 607924747 /nfs/dbraw/zinc/92/47/47/607924747.db2.gz FTANZFTXZIDJJS-UHFFFAOYSA-N -1 3 361.405 2.661 20 30 FFEDHM C#Cc1cccc(N(CC)Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)c1 ZINC000823861365 607924748 /nfs/dbraw/zinc/92/47/48/607924748.db2.gz FTANZFTXZIDJJS-UHFFFAOYSA-N -1 3 361.405 2.661 20 30 FFEDHM Cn1c(C=NNCc2ccc(-c3nnn[n-]3)cc2)nc2ccc(Cl)cc21 ZINC000826354927 608110573 /nfs/dbraw/zinc/11/05/73/608110573.db2.gz BUJYEQHVYBJPHC-UHFFFAOYSA-N -1 3 366.816 2.531 20 30 FFEDHM Cn1c(C=NNCc2ccc(-c3nn[n-]n3)cc2)nc2ccc(Cl)cc21 ZINC000826354927 608110574 /nfs/dbraw/zinc/11/05/74/608110574.db2.gz BUJYEQHVYBJPHC-UHFFFAOYSA-N -1 3 366.816 2.531 20 30 FFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C#N)cc1C ZINC000825792990 608179041 /nfs/dbraw/zinc/17/90/41/608179041.db2.gz IKDZFNLGONFVJV-UHFFFAOYSA-N -1 3 372.392 2.669 20 30 FFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C#N)cc1C ZINC000825792990 608179042 /nfs/dbraw/zinc/17/90/42/608179042.db2.gz IKDZFNLGONFVJV-UHFFFAOYSA-N -1 3 372.392 2.669 20 30 FFEDHM N#C[C@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1cccs1 ZINC000826379174 608276539 /nfs/dbraw/zinc/27/65/39/608276539.db2.gz KZKPUOUKJQAFIK-MEJMFZKBSA-N -1 3 365.418 2.867 20 30 FFEDHM N#C[C@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1cccs1 ZINC000826379174 608276541 /nfs/dbraw/zinc/27/65/41/608276541.db2.gz KZKPUOUKJQAFIK-MEJMFZKBSA-N -1 3 365.418 2.867 20 30 FFEDHM C=CCSCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823936982 608404377 /nfs/dbraw/zinc/40/43/77/608404377.db2.gz CEEYJLFMKCVDND-UHFFFAOYSA-N -1 3 370.482 2.585 20 30 FFEDHM C=CCSCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823936982 608404379 /nfs/dbraw/zinc/40/43/79/608404379.db2.gz CEEYJLFMKCVDND-UHFFFAOYSA-N -1 3 370.482 2.585 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000823931657 608538939 /nfs/dbraw/zinc/53/89/39/608538939.db2.gz COPUSQSPMHJHMG-UHFFFAOYSA-N -1 3 356.411 2.757 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000823931657 608538940 /nfs/dbraw/zinc/53/89/40/608538940.db2.gz COPUSQSPMHJHMG-UHFFFAOYSA-N -1 3 356.411 2.757 20 30 FFEDHM Cc1c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cccc1[N+](=O)[O-] ZINC000823958780 608539881 /nfs/dbraw/zinc/53/98/81/608539881.db2.gz WAKVQWVDWVKTGA-UHFFFAOYSA-N -1 3 372.776 2.968 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826178682 608873620 /nfs/dbraw/zinc/87/36/20/608873620.db2.gz IBJYIWGHAVDISJ-YCRREMRBSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826178682 608873622 /nfs/dbraw/zinc/87/36/22/608873622.db2.gz IBJYIWGHAVDISJ-YCRREMRBSA-N -1 3 351.322 2.680 20 30 FFEDHM O=C(C=Cc1cccc(Br)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826400992 609310213 /nfs/dbraw/zinc/31/02/13/609310213.db2.gz MSVCKZZALWUMDI-BQYQJAHWSA-N -1 3 356.183 2.920 20 30 FFEDHM O=C(C=Cc1cccc(Br)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826400992 609310214 /nfs/dbraw/zinc/31/02/14/609310214.db2.gz MSVCKZZALWUMDI-BQYQJAHWSA-N -1 3 356.183 2.920 20 30 FFEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)n1 ZINC000826178090 609368551 /nfs/dbraw/zinc/36/85/51/609368551.db2.gz JJPRBCRMXQHIET-VOTSOKGWSA-N -1 3 353.357 2.922 20 30 FFEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)n1 ZINC000826178090 609368553 /nfs/dbraw/zinc/36/85/53/609368553.db2.gz JJPRBCRMXQHIET-VOTSOKGWSA-N -1 3 353.357 2.922 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(CC#N)CC1 ZINC000824319043 609402342 /nfs/dbraw/zinc/40/23/42/609402342.db2.gz CVRJMXJNIZEWMM-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(CC#N)CC1 ZINC000824319043 609402345 /nfs/dbraw/zinc/40/23/45/609402345.db2.gz CVRJMXJNIZEWMM-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000022475293 727838214 /nfs/dbraw/zinc/83/82/14/727838214.db2.gz DWJINSUNXJJRRB-SNVBAGLBSA-N -1 3 356.403 2.998 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2sccc2C)ccc1F ZINC000045536632 728003920 /nfs/dbraw/zinc/00/39/20/728003920.db2.gz RUEGKYUFVUUKNA-UHFFFAOYSA-N -1 3 368.455 2.590 20 30 FFEDHM C#Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000046190036 728014819 /nfs/dbraw/zinc/01/48/19/728014819.db2.gz RXZPOSSXEIMSHC-UHFFFAOYSA-N -1 3 360.410 2.746 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2c[nH]c3ccccc23)cc1 ZINC000746491213 735487642 /nfs/dbraw/zinc/48/76/42/735487642.db2.gz BVMOIVWWJNWUMD-UHFFFAOYSA-N -1 3 358.379 2.530 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc2nncn2c1 ZINC000113653224 728556236 /nfs/dbraw/zinc/55/62/36/728556236.db2.gz KKIRXPIFCIFDQG-LLVKDONJSA-N -1 3 374.187 2.997 20 30 FFEDHM COc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)ccc1[N+](=O)[O-] ZINC000125460155 728683933 /nfs/dbraw/zinc/68/39/33/728683933.db2.gz BCIUKTMGLVXWSQ-UHFFFAOYSA-N -1 3 367.770 2.929 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC2CCCC2)CCCC1 ZINC000329665739 729798526 /nfs/dbraw/zinc/79/85/26/729798526.db2.gz QBERYMMQEBFDJS-UHFFFAOYSA-N -1 3 355.460 2.782 20 30 FFEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000645883206 730615935 /nfs/dbraw/zinc/61/59/35/730615935.db2.gz PNQRHCKRYWZKEN-ZDUSSCGKSA-N -1 3 370.883 2.516 20 30 FFEDHM [O-]c1cccc(Br)c1C=NN1C(=S)N=NC1[C@H]1CCCO1 ZINC000863075539 730749799 /nfs/dbraw/zinc/74/97/99/730749799.db2.gz RSLNJFCNWFEWFJ-LLVKDONJSA-N -1 3 369.244 2.769 20 30 FFEDHM Cc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1Br ZINC000767908636 737381482 /nfs/dbraw/zinc/38/14/82/737381482.db2.gz WWQWORPAGPFVMF-UHFFFAOYSA-N -1 3 361.203 2.586 20 30 FFEDHM O=C(Nc1ccc(Br)cc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000866109088 731031648 /nfs/dbraw/zinc/03/16/48/731031648.db2.gz ZYFHBCGTSDWVAL-JTQLQIEISA-N -1 3 362.611 2.604 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CCOCC1 ZINC000867512956 731193745 /nfs/dbraw/zinc/19/37/45/731193745.db2.gz SGSTUJYMEFTKKW-UHFFFAOYSA-N -1 3 373.887 2.748 20 30 FFEDHM C[C@@H](CC(=O)OCCCC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000781186426 738604712 /nfs/dbraw/zinc/60/47/12/738604712.db2.gz PGDJNDUGSYBSOS-ZDUSSCGKSA-N -1 3 366.483 2.873 20 30 FFEDHM O=C(Nc1ccccc1SCC(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000878115113 732484462 /nfs/dbraw/zinc/48/44/62/732484462.db2.gz XAMNKROQJSFIKD-JTQLQIEISA-N -1 3 363.361 2.843 20 30 FFEDHM O=C(Nc1ccc(OC2CCCC2)c(F)c1)N[C@H]1CCCN([O-])C1=O ZINC000878819693 732599553 /nfs/dbraw/zinc/59/95/53/732599553.db2.gz AUKPGSPEMBRBQU-AWEZNQCLSA-N -1 3 351.378 2.649 20 30 FFEDHM Cc1cc(C)c(NC(=O)N[C@H]2CCCN([O-])C2=O)c(Br)c1 ZINC000878972392 732625141 /nfs/dbraw/zinc/62/51/41/732625141.db2.gz GOKDTMHLOYFNAS-NSHDSACASA-N -1 3 356.220 2.568 20 30 FFEDHM CC(C)(C)Oc1c(F)cc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1F ZINC000879145732 732654029 /nfs/dbraw/zinc/65/40/29/732654029.db2.gz QEJMZOZTQSLWOO-LBPRGKRZSA-N -1 3 357.357 2.644 20 30 FFEDHM C[C@@H](Oc1ccccc1NC(=O)N[C@@H]1CCCN([O-])C1=O)C(F)(F)F ZINC000879588458 732729664 /nfs/dbraw/zinc/72/96/64/732729664.db2.gz PMEUKFMNTKIPGP-MWLCHTKSSA-N -1 3 361.320 2.518 20 30 FFEDHM C=C[C@H](CO)NCc1cc(Br)c([O-])c(Br)c1 ZINC000668753217 733160234 /nfs/dbraw/zinc/16/02/34/733160234.db2.gz CRPMTPPMPIBDKY-MRVPVSSYSA-N -1 3 351.038 2.554 20 30 FFEDHM C[S@](=O)(=NS(=O)(=O)[N-]c1cccc(CC#N)c1)C1CCCCC1 ZINC000882737389 733283911 /nfs/dbraw/zinc/28/39/11/733283911.db2.gz KPNHQJJHDYUHHH-JOCHJYFZSA-N -1 3 355.485 2.840 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(C)C)ccc1F ZINC000782712572 738750708 /nfs/dbraw/zinc/75/07/08/738750708.db2.gz SNHKNJKRYRJXTJ-UHFFFAOYSA-N -1 3 356.463 2.702 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(CC)CC2)ccc1F ZINC000725722911 734388264 /nfs/dbraw/zinc/38/82/64/734388264.db2.gz BEPBIZSBXLQAFT-UHFFFAOYSA-N -1 3 368.474 2.942 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cc(C#N)ccc2F)ccc1F ZINC000725994475 734404004 /nfs/dbraw/zinc/40/40/04/734404004.db2.gz WJXVHGZOLHMRSF-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM O=S(=O)(NC1CC1)c1ccc(NN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000726424421 734423102 /nfs/dbraw/zinc/42/31/02/734423102.db2.gz ZUEXCLCVIQHLNP-UHFFFAOYSA-N -1 3 365.842 2.932 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(C)(C)C)ccc1F ZINC000729402734 734575029 /nfs/dbraw/zinc/57/50/29/734575029.db2.gz WRVVHLHJTDWXSX-INIZCTEOSA-N -1 3 368.474 2.941 20 30 FFEDHM CCCS(=O)(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000737440787 735009535 /nfs/dbraw/zinc/00/95/35/735009535.db2.gz PMBZNEDJPFXQTE-UHFFFAOYSA-N -1 3 350.396 2.706 20 30 FFEDHM CCS(=O)(=O)c1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901374897 735772052 /nfs/dbraw/zinc/77/20/52/735772052.db2.gz VZHGDGIMAZIFRD-UHFFFAOYSA-N -1 3 351.399 2.580 20 30 FFEDHM CS(=O)(=O)C1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1 ZINC000901378558 735772504 /nfs/dbraw/zinc/77/25/04/735772504.db2.gz LXIZWOIAPUTAMY-UHFFFAOYSA-N -1 3 352.239 2.679 20 30 FFEDHM Cc1cccc(CS(=O)(=O)CCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000904177728 736230543 /nfs/dbraw/zinc/23/05/43/736230543.db2.gz MUFDRBOTPXPCCK-UHFFFAOYSA-N -1 3 365.426 2.857 20 30 FFEDHM Cc1oc(C(=O)N([O-])Cc2ccccc2Cl)cc1S(=O)(=O)N(C)C ZINC000904188630 736231818 /nfs/dbraw/zinc/23/18/18/736231818.db2.gz HLSMUYBCCCXHKX-UHFFFAOYSA-N -1 3 372.830 2.523 20 30 FFEDHM CC[C@H](C)COC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000756332367 736323167 /nfs/dbraw/zinc/32/31/67/736323167.db2.gz OIMVAAPPJGDKIM-DZGCQCFKSA-N -1 3 366.483 2.729 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750188 736825436 /nfs/dbraw/zinc/82/54/36/736825436.db2.gz BUVQFGVRGBMJPN-OLZOCXBDSA-N -1 3 371.890 2.780 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c(Cl)n2)c1 ZINC000766841484 737268274 /nfs/dbraw/zinc/26/82/74/737268274.db2.gz SQMKSXDLCYYTFL-LBPRGKRZSA-N -1 3 359.769 2.713 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)cc1OC ZINC000916932728 737733086 /nfs/dbraw/zinc/73/30/86/737733086.db2.gz CIXSREAOOFIUAK-LBPRGKRZSA-N -1 3 359.407 2.738 20 30 FFEDHM O=C1CN(N=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C(=O)[N-]1 ZINC000918710741 737819330 /nfs/dbraw/zinc/81/93/30/737819330.db2.gz BBBGNBRVKOQXEO-UHFFFAOYSA-N -1 3 354.313 2.715 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@H](C)C2)ccc1F ZINC000919867376 737880819 /nfs/dbraw/zinc/88/08/19/737880819.db2.gz YRRARNGQBQGOTE-KBPBESRZSA-N -1 3 368.474 2.846 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCOCC1 ZINC000919961952 737884814 /nfs/dbraw/zinc/88/48/14/737884814.db2.gz WPHBJIFVBKENNB-UHFFFAOYSA-N -1 3 362.476 2.661 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C(F)F)[C@H]1CCCO1 ZINC000774472374 737992800 /nfs/dbraw/zinc/99/28/00/737992800.db2.gz YLRILEQGHVAVRI-HIFRSBDPSA-N -1 3 354.353 2.564 20 30 FFEDHM COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776276372 738177105 /nfs/dbraw/zinc/17/71/05/738177105.db2.gz ZTZJGFZXFCUVSP-UHFFFAOYSA-N -1 3 360.753 2.721 20 30 FFEDHM CCOC(=O)c1cnc(N=NCc2cc(Cl)c([O-])c(OC)c2)nc1C ZINC000777891354 738329212 /nfs/dbraw/zinc/32/92/12/738329212.db2.gz OUYNZTITPBPRGB-UHFFFAOYSA-N -1 3 364.789 2.775 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cnn(C(C)(C)C)c1C ZINC000787158761 739109404 /nfs/dbraw/zinc/10/94/04/739109404.db2.gz XYBFNXKLUBESPY-UHFFFAOYSA-N -1 3 362.499 2.833 20 30 FFEDHM C=C(Cl)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795781979 740063158 /nfs/dbraw/zinc/06/31/58/740063158.db2.gz OEYLPDYADNXALJ-UHFFFAOYSA-N -1 3 357.737 2.986 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C1CC1 ZINC000797966055 740293120 /nfs/dbraw/zinc/29/31/20/740293120.db2.gz GBITWJUARPYMFC-IUODEOHRSA-N -1 3 364.467 2.626 20 30 FFEDHM C#C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000812201255 741595493 /nfs/dbraw/zinc/59/54/93/741595493.db2.gz QDJJAVHMPPSXMM-SNVBAGLBSA-N -1 3 357.723 2.651 20 30 FFEDHM C#CCO[N-]C(=O)CCCCc1ccc(I)cc1 ZINC000812784894 741651958 /nfs/dbraw/zinc/65/19/58/741651958.db2.gz NEMIYMKLVOFNPS-UHFFFAOYSA-N -1 3 357.191 2.685 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([O-])ccc2Cl)[C@H](C#N)C1 ZINC000815755073 741957902 /nfs/dbraw/zinc/95/79/02/741957902.db2.gz PXKRYTJUXHBEIM-LLVKDONJSA-N -1 3 365.817 2.631 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000816754491 742058704 /nfs/dbraw/zinc/05/87/04/742058704.db2.gz GCGPQEZPGPRYLJ-NSHDSACASA-N -1 3 351.815 2.574 20 30 FFEDHM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757999 742059639 /nfs/dbraw/zinc/05/96/39/742059639.db2.gz GJJONZHHLSMTMC-CYBMUJFWSA-N -1 3 360.435 2.924 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)SCC(=O)N2 ZINC000826481969 743388842 /nfs/dbraw/zinc/38/88/42/743388842.db2.gz OAYJIPNRBPGBCJ-UTCJRWHESA-N -1 3 369.431 2.869 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)SCC(=O)N2 ZINC000826481969 743388854 /nfs/dbraw/zinc/38/88/54/743388854.db2.gz OAYJIPNRBPGBCJ-UTCJRWHESA-N -1 3 369.431 2.869 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)C(=O)OCC ZINC000832549346 745717608 /nfs/dbraw/zinc/71/76/08/745717608.db2.gz BVPGABYPOKQOFK-INIZCTEOSA-N -1 3 365.451 2.627 20 30 FFEDHM C#C[C@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H]1CCCO1 ZINC000839562625 746856342 /nfs/dbraw/zinc/85/63/42/746856342.db2.gz BMHHWFGXPQGZQN-GXTWGEPZSA-N -1 3 355.419 2.927 20 30 FFEDHM Cc1nc(C/N=C/c2c([O-])c(C)ncc2CO)sc1Br ZINC000840705975 747163333 /nfs/dbraw/zinc/16/33/33/747163333.db2.gz GSFRSBZVTLKIBQ-SYZQJQIISA-N -1 3 356.245 2.734 20 30 FFEDHM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000842290839 747564859 /nfs/dbraw/zinc/56/48/59/747564859.db2.gz TWMKBCSFBFCMFJ-MNOVXSKESA-N -1 3 350.802 2.965 20 30 FFEDHM Cc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)c(Sc2ccccc2)n1 ZINC000848136047 748851168 /nfs/dbraw/zinc/85/11/68/748851168.db2.gz LEWMATHHGDXJRE-HNNXBMFYSA-N -1 3 357.435 2.651 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CCCC1 ZINC000849469793 749170713 /nfs/dbraw/zinc/17/07/13/749170713.db2.gz OXTCGTURBKUGGL-UHFFFAOYSA-N -1 3 358.847 2.689 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854648205 750344476 /nfs/dbraw/zinc/34/44/76/750344476.db2.gz AHRIPFQRXFPIPZ-IRXDYDNUSA-N -1 3 358.825 2.968 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)cc1Br ZINC000091416399 845608680 /nfs/dbraw/zinc/60/86/80/845608680.db2.gz UWZOUSBHVGRCKF-LURJTMIESA-N -1 3 368.050 2.865 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC#N)c2)cc1 ZINC000490666663 845920024 /nfs/dbraw/zinc/92/00/24/845920024.db2.gz AVAGJIAXSMEUKP-UHFFFAOYSA-N -1 3 357.435 2.748 20 30 FFEDHM CC(C)OCc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735902998 944711529 /nfs/dbraw/zinc/71/15/29/944711529.db2.gz CGPUGLCVEBRUPZ-UHFFFAOYSA-N -1 3 362.393 2.916 20 30 FFEDHM CC(C)OCc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735902998 944711533 /nfs/dbraw/zinc/71/15/33/944711533.db2.gz CGPUGLCVEBRUPZ-UHFFFAOYSA-N -1 3 362.393 2.916 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccn1 ZINC000822015329 945919413 /nfs/dbraw/zinc/91/94/13/945919413.db2.gz IMUFJGOALVLEMN-JXMROGBWSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccn1 ZINC000822015329 945919416 /nfs/dbraw/zinc/91/94/16/945919416.db2.gz IMUFJGOALVLEMN-JXMROGBWSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1nn(-c2ccccc2)c(C)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822486987 946102896 /nfs/dbraw/zinc/10/28/96/946102896.db2.gz WHGUCTQJGPMCKO-UHFFFAOYSA-N -1 3 372.436 2.793 20 30 FFEDHM Cc1nn(-c2ccccc2)c(C)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822486987 946102904 /nfs/dbraw/zinc/10/29/04/946102904.db2.gz WHGUCTQJGPMCKO-UHFFFAOYSA-N -1 3 372.436 2.793 20 30 FFEDHM C#C[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573280740 946668636 /nfs/dbraw/zinc/66/86/36/946668636.db2.gz RIHOSKQCAQDAIU-QGZVFWFLSA-N -1 3 363.446 2.591 20 30 FFEDHM C#C[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573280740 946668638 /nfs/dbraw/zinc/66/86/38/946668638.db2.gz RIHOSKQCAQDAIU-QGZVFWFLSA-N -1 3 363.446 2.591 20 30 FFEDHM C#C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001573280737 946668820 /nfs/dbraw/zinc/66/88/20/946668820.db2.gz RIHOSKQCAQDAIU-KRWDZBQOSA-N -1 3 363.446 2.591 20 30 FFEDHM C#C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001573280737 946668827 /nfs/dbraw/zinc/66/88/27/946668827.db2.gz RIHOSKQCAQDAIU-KRWDZBQOSA-N -1 3 363.446 2.591 20 30 FFEDHM C#CCCCCC(=O)NC1CC(CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573282876 946699933 /nfs/dbraw/zinc/69/99/33/946699933.db2.gz CEPXOQLOVMRCQI-UHFFFAOYSA-N -1 3 370.432 2.506 20 30 FFEDHM C#CCCCCC(=O)NC1CC(CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573282876 946699935 /nfs/dbraw/zinc/69/99/35/946699935.db2.gz CEPXOQLOVMRCQI-UHFFFAOYSA-N -1 3 370.432 2.506 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573300419 947111130 /nfs/dbraw/zinc/11/11/30/947111130.db2.gz JTLCRYXYHCWVCJ-KGLIPLIRSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573300419 947111135 /nfs/dbraw/zinc/11/11/35/947111135.db2.gz JTLCRYXYHCWVCJ-KGLIPLIRSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573314524 947231572 /nfs/dbraw/zinc/23/15/72/947231572.db2.gz CQANWGJPSTYPPU-XJKSGUPXSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573314524 947231584 /nfs/dbraw/zinc/23/15/84/947231584.db2.gz CQANWGJPSTYPPU-XJKSGUPXSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573314707 947235777 /nfs/dbraw/zinc/23/57/77/947235777.db2.gz FFTRWWHYIDUEPT-CMPLNLGQSA-N -1 3 363.491 2.541 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc21 ZINC000826011129 947402592 /nfs/dbraw/zinc/40/25/92/947402592.db2.gz YNVMNEOWKIIWKB-JXMROGBWSA-N -1 3 359.389 2.672 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc21 ZINC000826011129 947402600 /nfs/dbraw/zinc/40/26/00/947402600.db2.gz YNVMNEOWKIIWKB-JXMROGBWSA-N -1 3 359.389 2.672 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826476029 948376959 /nfs/dbraw/zinc/37/69/59/948376959.db2.gz ZFVSYNIWHBLCHB-CLTKARDFSA-N -1 3 373.325 2.634 20 30 FFEDHM C[C@H](NC(=O)C(F)(F)c1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001575251440 949140806 /nfs/dbraw/zinc/14/08/06/949140806.db2.gz NGLOYRBIIIQXHR-NSHDSACASA-N -1 3 368.347 2.708 20 30 FFEDHM C[C@@H](NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001575254208 949197551 /nfs/dbraw/zinc/19/75/51/949197551.db2.gz VFIVXOOMJOTETO-LLVKDONJSA-N -1 3 368.347 2.708 20 30 FFEDHM C[C@@H](NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001575254208 949197560 /nfs/dbraw/zinc/19/75/60/949197560.db2.gz VFIVXOOMJOTETO-LLVKDONJSA-N -1 3 368.347 2.708 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](CCC(=O)[O-])C3)C2=O)cc1 ZINC001594621014 956282058 /nfs/dbraw/zinc/28/20/58/956282058.db2.gz CSLHBDVJZXXSJY-WMZOPIPTSA-N -1 3 355.438 2.630 20 30 FFEDHM CCOc1nnc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)[n-]1 ZINC001174744976 1013300967 /nfs/dbraw/zinc/30/09/67/1013300967.db2.gz KIJOMCPZISDPFE-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CCOc1nc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n[n-]1 ZINC001174744976 1013300972 /nfs/dbraw/zinc/30/09/72/1013300972.db2.gz KIJOMCPZISDPFE-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CCOc1n[n-]c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n1 ZINC001174744976 1013300979 /nfs/dbraw/zinc/30/09/79/1013300979.db2.gz KIJOMCPZISDPFE-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000891654497 964739554 /nfs/dbraw/zinc/73/95/54/964739554.db2.gz ZWMDRHGVZDFOEY-UHFFFAOYSA-N -1 3 368.368 2.973 20 30 FFEDHM O=C(C[C@H]1CCC(F)(F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904186329 980204853 /nfs/dbraw/zinc/20/48/53/980204853.db2.gz VZSOOXVQYFBUBX-GFCCVEGCSA-N -1 3 366.364 2.716 20 30 FFEDHM C=CCC[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908807171 981540828 /nfs/dbraw/zinc/54/08/28/981540828.db2.gz NHRDRYKIGZAFNZ-KRWDZBQOSA-N -1 3 359.470 2.542 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000909000731 981591094 /nfs/dbraw/zinc/59/10/94/981591094.db2.gz OZKRGHBFLYLVCJ-NXHRZFHOSA-N -1 3 359.470 2.758 20 30 FFEDHM CC(C)CN(Cc1ccc(C#N)cc1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878009728 1014809182 /nfs/dbraw/zinc/80/91/82/1014809182.db2.gz CNQUKKAHCHVAJX-UHFFFAOYSA-N -1 3 352.438 2.785 20 30 FFEDHM COc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000060956848 985094449 /nfs/dbraw/zinc/09/44/49/985094449.db2.gz JEQWDORVUGBMAZ-UHFFFAOYSA-N -1 3 371.412 2.602 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]C[C@@]2(c3ccccc3)CCCO2)c(F)c1 ZINC000921914260 987334918 /nfs/dbraw/zinc/33/49/18/987334918.db2.gz IIDJYLPAQSKSOV-LJQANCHMSA-N -1 3 374.437 2.823 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)o1 ZINC000134147657 989519876 /nfs/dbraw/zinc/51/98/76/989519876.db2.gz KIWIAARSRNIGMN-MRXNPFEDSA-N -1 3 353.378 2.559 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H]2CC)ccc1F ZINC001129079230 990395172 /nfs/dbraw/zinc/39/51/72/990395172.db2.gz LGFRHJNJQILIDV-DZGCQCFKSA-N -1 3 368.474 2.846 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(N3CCOCC3)cc2)c1[O-] ZINC000920864048 990922336 /nfs/dbraw/zinc/92/23/36/990922336.db2.gz JOPNFNSIOSVTRI-LVCXCXRVSA-N -1 3 355.438 2.605 20 30 FFEDHM Cc1ccccc1C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)CC1 ZINC001212274021 991357872 /nfs/dbraw/zinc/35/78/72/991357872.db2.gz CPRKJPQLNMWJGK-UHFFFAOYSA-N -1 3 357.391 2.743 20 30 FFEDHM Cc1cccc(CCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000072703570 993272857 /nfs/dbraw/zinc/27/28/57/993272857.db2.gz YTPIVXINMJNWKW-UHFFFAOYSA-N -1 3 353.422 2.675 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000811185008 995050729 /nfs/dbraw/zinc/05/07/29/995050729.db2.gz WSPRSCBTQDWWJQ-DMAKZNTKSA-N -1 3 369.421 2.740 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@]23C[C@H]2CCCC3)ccc1F ZINC001133559260 995592894 /nfs/dbraw/zinc/59/28/94/995592894.db2.gz YPWUESUKNOQXSR-KDOFPFPSSA-N -1 3 366.458 2.600 20 30 FFEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1 ZINC000128804332 1016151097 /nfs/dbraw/zinc/15/10/97/1016151097.db2.gz ZFVQXBVGFSSEGY-MRXNPFEDSA-N -1 3 367.405 2.813 20 30 FFEDHM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594291528 999123948 /nfs/dbraw/zinc/12/39/48/999123948.db2.gz JHKNYWFYHMNBML-ASPXRTSYSA-N -1 3 363.502 2.883 20 30 FFEDHM Cc1noc(COc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2)n1 ZINC000733903256 999128533 /nfs/dbraw/zinc/12/85/33/999128533.db2.gz JRUFOPWPAOJEBM-UHFFFAOYSA-N -1 3 354.366 2.609 20 30 FFEDHM [O-]c1c(O)ccc(C=Nc2ccc(F)c(-n3nnnc3C3CC3)c2)c1O ZINC000741841520 999746366 /nfs/dbraw/zinc/74/63/66/999746366.db2.gz APKSIHDXWNKZRK-UHFFFAOYSA-N -1 3 355.329 2.546 20 30 FFEDHM N#Cc1cccc(-c2nnc(COC(=O)c3cc(-c4ccco4)[n-]n3)o2)c1 ZINC000744663528 999868124 /nfs/dbraw/zinc/86/81/24/999868124.db2.gz REPVGMKYOIZIRB-UHFFFAOYSA-N -1 3 361.317 2.948 20 30 FFEDHM N#Cc1cccc(-c2nnc(COC(=O)c3cc(-c4ccco4)n[n-]3)o2)c1 ZINC000744663528 999868126 /nfs/dbraw/zinc/86/81/26/999868126.db2.gz REPVGMKYOIZIRB-UHFFFAOYSA-N -1 3 361.317 2.948 20 30 FFEDHM Cc1cc(C=NN2CC(=O)[N-]C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000744807323 999877254 /nfs/dbraw/zinc/87/72/54/999877254.db2.gz WXLMPXDIYASJQV-UHFFFAOYSA-N -1 3 364.327 2.999 20 30 FFEDHM CCOC(Cc1c(Nc2ccccc2OCC#N)nc[n-]c1=O)OCC ZINC001212597099 1000345491 /nfs/dbraw/zinc/34/54/91/1000345491.db2.gz BQIPVZQROZMJOZ-UHFFFAOYSA-N -1 3 358.398 2.770 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnoc2C2CC2)c(C)c1[O-] ZINC001147660850 1000940816 /nfs/dbraw/zinc/94/08/16/1000940816.db2.gz MMXNCBBHRHHNHO-UHFFFAOYSA-N -1 3 355.350 2.867 20 30 FFEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001276191197 1016499676 /nfs/dbraw/zinc/49/96/76/1016499676.db2.gz FISHYLIZVTYYGY-CQSZACIVSA-N -1 3 363.408 2.692 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC000787524488 1001695267 /nfs/dbraw/zinc/69/52/67/1001695267.db2.gz IJUNDFSJSCHEFX-UHFFFAOYSA-N -1 3 365.389 2.933 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncc(C(F)(F)F)cc1-c1cccnc1 ZINC001171363201 1001719395 /nfs/dbraw/zinc/71/93/95/1001719395.db2.gz UEKRLRIOJYYOPF-ZANVPECISA-N -1 3 352.316 2.810 20 30 FFEDHM O=C([N-][C@@H](CO)C(F)(F)F)[C@@H](c1c[nH]c2cc(F)ccc21)C(F)(F)F ZINC001183514916 1002289359 /nfs/dbraw/zinc/28/93/59/1002289359.db2.gz VLRKKRLLWKHXPX-WDEREUQCSA-N -1 3 372.240 2.992 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2C[C@]23CCCOC3)c(C)c1[O-] ZINC001183720862 1002364383 /nfs/dbraw/zinc/36/43/83/1002364383.db2.gz ATOMMYNPWXVOQJ-KUHUBIRLSA-N -1 3 358.394 2.504 20 30 FFEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185154369 1002857797 /nfs/dbraw/zinc/85/77/97/1002857797.db2.gz SHRXGIBINKZQTI-HNNXBMFYSA-N -1 3 361.410 2.528 20 30 FFEDHM C[C@@](C#N)([N-]S(=O)(=O)c1ccc2n[nH]cc2c1)c1ccccc1Cl ZINC001186024365 1003161736 /nfs/dbraw/zinc/16/17/36/1003161736.db2.gz JRGKEFZQTBABFL-INIZCTEOSA-N -1 3 360.826 2.934 20 30 FFEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2ncnc3c2cnn3C)c(F)c1F ZINC001186713019 1003395688 /nfs/dbraw/zinc/39/56/88/1003395688.db2.gz KAUYMRINAIXJQP-UHFFFAOYSA-N -1 3 365.290 2.901 20 30 FFEDHM CCOC(=O)c1cc(COC)cc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000793670797 1003459680 /nfs/dbraw/zinc/45/96/80/1003459680.db2.gz ZNSRGNKVUDDICA-UHFFFAOYSA-N -1 3 358.394 2.662 20 30 FFEDHM N#CC12CCC([N-]S(=O)(=O)c3ccc(Br)cn3)(CC1)CC2 ZINC001196180781 1003698521 /nfs/dbraw/zinc/69/85/21/1003698521.db2.gz WVGTTZLMOINDDO-UHFFFAOYSA-N -1 3 370.272 2.739 20 30 FFEDHM N#CC12CCC([N-]S(=O)(=O)c3cccc(Br)n3)(CC1)CC2 ZINC001196332702 1003744236 /nfs/dbraw/zinc/74/42/36/1003744236.db2.gz FOTYWBUQZDQZBW-UHFFFAOYSA-N -1 3 370.272 2.739 20 30 FFEDHM CN(C)c1cnccc1C(=O)NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001198176917 1004522010 /nfs/dbraw/zinc/52/20/10/1004522010.db2.gz HSKKTUHLLKDYSA-UHFFFAOYSA-N -1 3 368.315 2.612 20 30 FFEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(C)nc(Cl)nc2Cl)c1 ZINC001193640688 1004533260 /nfs/dbraw/zinc/53/32/60/1004533260.db2.gz NQTGLCZPZJIZFJ-UHFFFAOYSA-N -1 3 373.221 2.773 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Br)cn1 ZINC001198321323 1004577434 /nfs/dbraw/zinc/57/74/34/1004577434.db2.gz PJJMIQJZLDHPCL-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2c(C#N)ccc(F)c2F)cc1F ZINC001194981714 1004862829 /nfs/dbraw/zinc/86/28/29/1004862829.db2.gz LRUYSBNVQYTBKR-UHFFFAOYSA-N -1 3 369.324 2.599 20 30 FFEDHM O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(Cl)[n-]c1=O ZINC001195143083 1004901585 /nfs/dbraw/zinc/90/15/85/1004901585.db2.gz ZOTPMCXDHUZJTJ-UHFFFAOYSA-N -1 3 363.156 2.700 20 30 FFEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1cc(OC2CCC2)ncn1 ZINC001199469040 1004942517 /nfs/dbraw/zinc/94/25/17/1004942517.db2.gz HGXNQFVGGFOIMS-UHFFFAOYSA-N -1 3 372.388 2.989 20 30 FFEDHM COc1ccc(-c2noc(COC(=O)c3cc([O-])cc(C#N)c3)n2)cc1 ZINC000776279083 1005345062 /nfs/dbraw/zinc/34/50/62/1005345062.db2.gz HQHFVLKYFLOJMT-UHFFFAOYSA-N -1 3 351.318 2.679 20 30 FFEDHM C=C[C@@H]1C[C@]1(Nc1ccnc2cc(C)ccc21)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170748997 1006298279 /nfs/dbraw/zinc/29/82/79/1006298279.db2.gz QHSROIDBRAQZDK-BFUOFWGJSA-N -1 3 371.462 2.508 20 30 FFEDHM COC(=O)CCS(=O)(=O)[N-]c1cc(C(F)(F)F)c(C#N)cc1Cl ZINC001188394753 1006543723 /nfs/dbraw/zinc/54/37/23/1006543723.db2.gz GRDSSFFYRKBNCE-UHFFFAOYSA-N -1 3 370.736 2.535 20 30 FFEDHM N#Cc1cnc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)s1 ZINC001189554465 1007145148 /nfs/dbraw/zinc/14/51/48/1007145148.db2.gz ZQWOAAUXOIHZFM-UHFFFAOYSA-N -1 3 361.370 2.653 20 30 FFEDHM C=CCCSCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000855384852 1007312068 /nfs/dbraw/zinc/31/20/68/1007312068.db2.gz WTOJSIAUVHHHQB-UHFFFAOYSA-N -1 3 374.503 2.552 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000855716848 1007518203 /nfs/dbraw/zinc/51/82/03/1007518203.db2.gz UMGMURUASQVQGQ-ROUUACIJSA-N -1 3 351.406 2.503 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1=CC(=O)CC(C)(C)C1 ZINC001190592806 1007711922 /nfs/dbraw/zinc/71/19/22/1007711922.db2.gz CXRXORGPALSMDE-UHFFFAOYSA-N -1 3 371.842 2.678 20 30 FFEDHM C#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CCCCC1 ZINC001190609812 1007719124 /nfs/dbraw/zinc/71/91/24/1007719124.db2.gz XWWOIIQOKHSUMS-UHFFFAOYSA-N -1 3 355.843 2.741 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cnc(Cl)cc2Cl)c1 ZINC001190665518 1007724365 /nfs/dbraw/zinc/72/43/65/1007724365.db2.gz NTVCZQNFGFWDJS-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)n2)c1 ZINC001190682108 1007748323 /nfs/dbraw/zinc/74/83/23/1007748323.db2.gz UABVYOQFRILKGR-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000820476888 1008339166 /nfs/dbraw/zinc/33/91/66/1008339166.db2.gz RDNXNQBEBVXAJL-IAGOWNOFSA-N -1 3 374.824 2.957 20 30 FFEDHM COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c([O-])c(OC)c1 ZINC001179885945 1009491457 /nfs/dbraw/zinc/49/14/57/1009491457.db2.gz GDIGJQROJJKSGS-LSDHHAIUSA-N -1 3 366.373 2.801 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)ccc1[O-] ZINC001180336267 1009637699 /nfs/dbraw/zinc/63/76/99/1009637699.db2.gz QRBOVWGFAWAFPV-MRXNPFEDSA-N -1 3 351.362 2.866 20 30 FFEDHM CC[C@H](C)c1cccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000862486878 1009856382 /nfs/dbraw/zinc/85/63/82/1009856382.db2.gz IZGIHLVWCCRNPZ-ZDUSSCGKSA-N -1 3 371.462 2.877 20 30 FFEDHM C#CCCCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868322947 1011248529 /nfs/dbraw/zinc/24/85/29/1011248529.db2.gz UXJCIIAOLTUHRZ-ZDUSSCGKSA-N -1 3 367.371 2.782 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)[n-]c1=O ZINC001275005482 1011805421 /nfs/dbraw/zinc/80/54/21/1011805421.db2.gz IUDJDEQISQZTSK-SFHVURJKSA-N -1 3 363.845 2.614 20 30 FFEDHM N#Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)ccc1F ZINC001095188438 1012672372 /nfs/dbraw/zinc/67/23/72/1012672372.db2.gz FVYTWNVKJYYSOQ-MNEFBYGVSA-N -1 3 365.408 2.938 20 30 FFEDHM N#Cc1c(F)cccc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001055284406 1017257019 /nfs/dbraw/zinc/25/70/19/1017257019.db2.gz YFLQTAXRVRVDKU-NJAPINKUSA-N -1 3 351.381 2.943 20 30 FFEDHM Cc1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccccc3[O-])C2)ccc1C#N ZINC001047161749 1019002487 /nfs/dbraw/zinc/00/24/87/1019002487.db2.gz ZZSTXODZFPHVHW-GOEBONIOSA-N -1 3 350.422 2.978 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)NCc3c([O-])cccc3F)C2)c(F)c1 ZINC000928705636 1019083811 /nfs/dbraw/zinc/08/38/11/1019083811.db2.gz KMYSGQDXKHSMKQ-CYBMUJFWSA-N -1 3 357.360 2.685 20 30 FFEDHM Cc1nsc(N2CC[C@@H]3CCN(C(=O)c4ccccc4[O-])C[C@@H]32)c1C#N ZINC001044924251 1019750505 /nfs/dbraw/zinc/75/05/05/1019750505.db2.gz LGDVFQYLLGDVNL-BBRMVZONSA-N -1 3 368.462 2.770 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2c(s1)CCCC2 ZINC000726880791 1020543545 /nfs/dbraw/zinc/54/35/45/1020543545.db2.gz HRAPZPQIQLQXEO-UHFFFAOYSA-N -1 3 370.478 2.860 20 30 FFEDHM CCOC(=O)Nc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1C#N ZINC000751517811 1022852365 /nfs/dbraw/zinc/85/23/65/1022852365.db2.gz NIZVKLIZAZQLHM-UHFFFAOYSA-N -1 3 354.366 2.779 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](c2nccs2)C1 ZINC001122588286 1023353604 /nfs/dbraw/zinc/35/36/04/1023353604.db2.gz WRXMWXHRBHLOFK-LLVKDONJSA-N -1 3 358.427 2.665 20 30 FFEDHM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1cc(O)cc(O)c1 ZINC000753701059 1023368896 /nfs/dbraw/zinc/36/88/96/1023368896.db2.gz QWIDCTWXJVRLSS-UHFFFAOYSA-N -1 3 356.386 2.534 20 30 FFEDHM C=CCC[C@H]1CCCN1c1nnc(-c2c[n-]oc2=O)n1C[C@H]1CCCO1 ZINC001122811285 1023487460 /nfs/dbraw/zinc/48/74/60/1023487460.db2.gz OKSOAWYZTSXJEQ-UONOGXRCSA-N -1 3 359.430 2.753 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2ccc(Cl)cc2)n1 ZINC000757406753 1023819762 /nfs/dbraw/zinc/81/97/62/1023819762.db2.gz RBPPTDFEPCPZTN-AWEZNQCLSA-N -1 3 365.780 2.882 20 30 FFEDHM CC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCN([O-])C2=O)c(C(C)(C)C)c1 ZINC001159324286 1027354183 /nfs/dbraw/zinc/35/41/83/1027354183.db2.gz GTQGVUNXCPZMHP-OAHLLOKOSA-N -1 3 362.470 2.767 20 30 FFEDHM Cc1cnc([N-][C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c(C#N)n1 ZINC001159531888 1027424064 /nfs/dbraw/zinc/42/40/64/1027424064.db2.gz MMACWCVBFOSICL-HXUWFJFHSA-N -1 3 368.400 2.884 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnc3cc[nH]cc2-3)c(C)c1[O-] ZINC001152979869 1027731915 /nfs/dbraw/zinc/73/19/15/1027731915.db2.gz QLADHSIOBJILCE-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc2ccc(OC)cc2s1 ZINC001153939118 1028078270 /nfs/dbraw/zinc/07/82/70/1028078270.db2.gz NTKYWVMNDJLELA-UHFFFAOYSA-N -1 3 356.363 2.845 20 30 FFEDHM CCn1cc(-c2nn(C)cc2C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001161807246 1028322180 /nfs/dbraw/zinc/32/21/80/1028322180.db2.gz GGMOGILZFDOPRQ-UHFFFAOYSA-N -1 3 359.817 2.989 20 30 FFEDHM O=C(c1ccn(CCn2cccn2)n1)N([O-])Cc1cccc2ccccc21 ZINC001161842944 1028332207 /nfs/dbraw/zinc/33/22/07/1028332207.db2.gz VAKLODBYUWPGEY-UHFFFAOYSA-N -1 3 361.405 2.965 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3nccn32)c(C)c1[O-] ZINC001154523701 1028335850 /nfs/dbraw/zinc/33/58/50/1028335850.db2.gz GYBRLLMGBBSTAH-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM Cc1cccc(C(C)(C)CNC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)n1 ZINC001154561169 1028357643 /nfs/dbraw/zinc/35/76/43/1028357643.db2.gz WNAFONSAFQRGDR-UHFFFAOYSA-N -1 3 360.417 2.811 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC[C@@H]2C(=O)Nc3ccccc32)n1 ZINC001162611622 1028597867 /nfs/dbraw/zinc/59/78/67/1028597867.db2.gz ZUIUFRBEEAZVCK-LLADZKGESA-N -1 3 363.830 2.808 20 30 FFEDHM C=CCN(C(=O)c1cccc(O)c1[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC000781159406 1029032464 /nfs/dbraw/zinc/03/24/64/1029032464.db2.gz VDSUOLFNRMEWQX-QGZVFWFLSA-N -1 3 369.417 2.900 20 30 FFEDHM O=C1COc2cnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc2N1 ZINC001163765391 1029055484 /nfs/dbraw/zinc/05/54/84/1029055484.db2.gz RAPPBQPUGUSPMR-UHFFFAOYSA-N -1 3 368.271 2.559 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2CC(N)=O)cc1 ZINC000796797590 1030920816 /nfs/dbraw/zinc/92/08/16/1030920816.db2.gz ISKQOLIPXXUOMA-MRXNPFEDSA-N -1 3 367.405 2.611 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C#N)cc1 ZINC001115824119 1031975601 /nfs/dbraw/zinc/97/56/01/1031975601.db2.gz VVFRTILZTGLXRH-UHFFFAOYSA-N -1 3 350.403 2.912 20 30 FFEDHM C=CC[C@@H]1[C@H](Oc2[n-]c(=O)ncc2OC)CCCN1C(=O)OC(C)(C)C ZINC001226827561 1034854752 /nfs/dbraw/zinc/85/47/52/1034854752.db2.gz GKTYCPUKTRGJHG-CHWSQXEVSA-N -1 3 365.430 2.914 20 30 FFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001277168651 1034892626 /nfs/dbraw/zinc/89/26/26/1034892626.db2.gz QMJTXDWIFWEKFJ-IAGOWNOFSA-N -1 3 358.438 2.535 20 30 FFEDHM C=CCOC(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140102222 1035343095 /nfs/dbraw/zinc/34/30/95/1035343095.db2.gz MGYOARQVKKZWSK-UHFFFAOYSA-N -1 3 355.232 2.595 20 30 FFEDHM C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262003 1035533917 /nfs/dbraw/zinc/53/39/17/1035533917.db2.gz XCQGXSWVQONRDT-OAHLLOKOSA-N -1 3 363.845 2.787 20 30 FFEDHM N#CC=C([O-])c1ccccc1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001233531931 1036673598 /nfs/dbraw/zinc/67/35/98/1036673598.db2.gz XVHGHYYPXVSNOR-AWEZNQCLSA-N -1 3 352.350 2.744 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1OC1CCN(c2ccc(Cl)nn2)CC1 ZINC001233799153 1036768663 /nfs/dbraw/zinc/76/86/63/1036768663.db2.gz GKOKLWKFCHFIKE-YBFXNURJSA-N -1 3 362.817 2.995 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](COc3cc([O-])cc(C#N)c3)[C@H]2C1 ZINC001234141490 1036937554 /nfs/dbraw/zinc/93/75/54/1036937554.db2.gz OZPRCSKDFMYMPM-KBRIMQKVSA-N -1 3 360.410 2.525 20 30 FFEDHM CC(C)OC(=O)C1(C(=O)OC(C)C)CC(Oc2cc([O-])cc(C#N)c2)C1 ZINC001234142887 1036938323 /nfs/dbraw/zinc/93/83/23/1036938323.db2.gz XZUZMYXCZOHLOG-UHFFFAOYSA-N -1 3 361.394 2.695 20 30 FFEDHM COC(=O)[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccc(F)cc1 ZINC001234511243 1037067834 /nfs/dbraw/zinc/06/78/34/1037067834.db2.gz MIBBNUSPAFYNSU-OAHLLOKOSA-N -1 3 353.309 2.639 20 30 FFEDHM CCCC#CC(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2nc3c(cccc3[O-])s2)C1 ZINC001277876319 1037139265 /nfs/dbraw/zinc/13/92/65/1037139265.db2.gz VFFUUKUTNJGGQX-CWTRNNRKSA-N -1 3 369.446 2.592 20 30 FFEDHM C=C(C)CN1CC[C@@]2(CCN(Cc3ccc(F)c(C(=O)[O-])c3F)C2)C1=O ZINC001276518060 1037288621 /nfs/dbraw/zinc/28/86/21/1037288621.db2.gz LFNHWSCGPNWRIR-LJQANCHMSA-N -1 3 364.392 2.664 20 30 FFEDHM C=C1CCC(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CC1 ZINC001537409001 1070179555 /nfs/dbraw/zinc/17/95/55/1070179555.db2.gz PBPQWKRMDVUWBE-UHFFFAOYSA-N -1 3 368.474 2.989 20 30 FFEDHM C=C[C@H]1C[C@]1([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC ZINC001251374958 1039098332 /nfs/dbraw/zinc/09/83/32/1039098332.db2.gz UAMKNMOFKQPUAI-LKFCYVNXSA-N -1 3 364.250 2.780 20 30 FFEDHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1F ZINC001259419224 1039989582 /nfs/dbraw/zinc/98/95/82/1039989582.db2.gz PDTYRWXCRZTIGT-UHFFFAOYSA-N -1 3 370.308 2.563 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=S)NCCCSC)c(C)c1[O-] ZINC001247875073 1040012533 /nfs/dbraw/zinc/01/25/33/1040012533.db2.gz FFHLCTWOZDQGTP-UHFFFAOYSA-N -1 3 367.496 2.789 20 30 FFEDHM CC(C)c1cc2ncc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cn2n1 ZINC001260039046 1040371489 /nfs/dbraw/zinc/37/14/89/1040371489.db2.gz LMRQPVWSIMPDFI-UHFFFAOYSA-N -1 3 355.423 2.666 20 30 FFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001213276051 1040401742 /nfs/dbraw/zinc/40/17/42/1040401742.db2.gz CMTOVWVBGQBKJU-CQSZACIVSA-N -1 3 350.465 2.517 20 30 FFEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)C(=O)OCC ZINC001213383455 1040496674 /nfs/dbraw/zinc/49/66/74/1040496674.db2.gz QKCZXLVAGGDBEM-VFNNOXKTSA-N -1 3 361.822 2.790 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC001261272968 1041122967 /nfs/dbraw/zinc/12/29/67/1041122967.db2.gz BVQXWUFJWZSFNG-OAHLLOKOSA-N -1 3 356.253 2.908 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001263062600 1042078465 /nfs/dbraw/zinc/07/84/65/1042078465.db2.gz YWHLTGZYIWYZJG-ZWKOTPCHSA-N -1 3 357.454 2.639 20 30 FFEDHM N#Cc1cc(CS(=O)(=O)[N-]CC(=O)c2cc(Cl)ccc2F)cs1 ZINC001309765233 1043515431 /nfs/dbraw/zinc/51/54/31/1043515431.db2.gz OQXHUWIHYQTXSB-UHFFFAOYSA-N -1 3 372.830 2.715 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001540407167 1070877253 /nfs/dbraw/zinc/87/72/53/1070877253.db2.gz JDOUPGNMPNJRRJ-HNNXBMFYSA-N -1 3 372.446 2.773 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)cc3OC)nc21 ZINC001289643832 1047714279 /nfs/dbraw/zinc/71/42/79/1047714279.db2.gz JJJAMFUJYMETHZ-UHFFFAOYSA-N -1 3 364.361 2.872 20 30 FFEDHM CC#CC[C@@H](NCc1cc(OC)ccc1OCc1ccccn1)C(=O)[O-] ZINC001334070736 1049230773 /nfs/dbraw/zinc/23/07/73/1049230773.db2.gz VSEKATGKRZVHJO-GOSISDBHSA-N -1 3 354.406 2.625 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1Cc2cccc(OC)c2C1 ZINC001341755173 1050370919 /nfs/dbraw/zinc/37/09/19/1050370919.db2.gz CRZOWXONKPMZAE-UHFFFAOYSA-N -1 3 371.832 2.822 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1Cc2cccc(OC)c2C1 ZINC001341755173 1050370927 /nfs/dbraw/zinc/37/09/27/1050370927.db2.gz CRZOWXONKPMZAE-UHFFFAOYSA-N -1 3 371.832 2.822 20 30 FFEDHM N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1nc(N)c2ccccc2n1 ZINC001341803557 1050416044 /nfs/dbraw/zinc/41/60/44/1050416044.db2.gz AIIWNLYUKGVYGK-WBVHZDCISA-N -1 3 374.400 2.870 20 30 FFEDHM Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CCN([O-])C3=O)c2c1 ZINC001298425580 1050440587 /nfs/dbraw/zinc/44/05/87/1050440587.db2.gz JYDWQPKCTWFZDI-GOSISDBHSA-N -1 3 361.401 2.930 20 30 FFEDHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@H]1CCCN([O-])C1=O ZINC001298543191 1050470676 /nfs/dbraw/zinc/47/06/76/1050470676.db2.gz MUUMADGEIWCPOG-INIZCTEOSA-N -1 3 362.470 2.948 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)cc1 ZINC001341947644 1050543208 /nfs/dbraw/zinc/54/32/08/1050543208.db2.gz MXVGBBGEUIWUQD-GFCCVEGCSA-N -1 3 364.327 2.962 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)c1nnc(-c2c[n-]oc2=O)n1CCOC ZINC001341949919 1050545470 /nfs/dbraw/zinc/54/54/70/1050545470.db2.gz IWKQSICQSPTSQA-UHFFFAOYSA-N -1 3 369.425 2.868 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1Cc2cccc(OC)c2C1 ZINC001342025858 1050623467 /nfs/dbraw/zinc/62/34/67/1050623467.db2.gz UAGRWKSEZYBOFC-UHFFFAOYSA-N -1 3 364.409 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001342088739 1050684514 /nfs/dbraw/zinc/68/45/14/1050684514.db2.gz RCVPLYJDGARIBE-CABCVRRESA-N -1 3 373.457 2.858 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001342197329 1050789204 /nfs/dbraw/zinc/78/92/04/1050789204.db2.gz GXLXMRLYYNFIAT-CJNGLKHVSA-N -1 3 367.409 2.791 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2nc(C)cs2)C1 ZINC001340501454 1050896996 /nfs/dbraw/zinc/89/69/96/1050896996.db2.gz KNDZXAAETDAHKY-NSHDSACASA-N -1 3 358.427 2.584 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001342853027 1051460193 /nfs/dbraw/zinc/46/01/93/1051460193.db2.gz OLOICBDGOHYXGF-KRWDZBQOSA-N -1 3 361.471 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCc2cc(F)ccc2C1 ZINC001342852415 1051460823 /nfs/dbraw/zinc/46/08/23/1051460823.db2.gz JJKBEWWODRNWMX-UHFFFAOYSA-N -1 3 355.373 2.917 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001342854406 1051461787 /nfs/dbraw/zinc/46/17/87/1051461787.db2.gz UPHKHAQYSAFZEU-UHFFFAOYSA-N -1 3 361.446 2.999 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](C2CCOCC2)C1 ZINC001342854967 1051462782 /nfs/dbraw/zinc/46/27/82/1051462782.db2.gz XYIIDKGJIPKUFZ-OAHLLOKOSA-N -1 3 373.457 2.858 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(CCOC)CC1 ZINC001343315464 1052156611 /nfs/dbraw/zinc/15/66/11/1052156611.db2.gz UGTJQZFDYPDNLQ-UHFFFAOYSA-N -1 3 365.869 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(CCOC)CC1 ZINC001343315464 1052156615 /nfs/dbraw/zinc/15/66/15/1052156615.db2.gz UGTJQZFDYPDNLQ-UHFFFAOYSA-N -1 3 365.869 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H](C)OC2(CCCC2)C1 ZINC001343668425 1052365316 /nfs/dbraw/zinc/36/53/16/1052365316.db2.gz LCORXQHZVQJEPP-CQSZACIVSA-N -1 3 370.457 2.555 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](OCCC)CC1 ZINC001343670834 1052366309 /nfs/dbraw/zinc/36/63/09/1052366309.db2.gz YULSZFAGANLDKS-HNNXBMFYSA-N -1 3 372.473 2.802 20 30 FFEDHM C=CCO[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC001337709038 1054961540 /nfs/dbraw/zinc/96/15/40/1054961540.db2.gz WQWVAWJHEOXDME-LBPRGKRZSA-N -1 3 355.232 2.641 20 30 FFEDHM C=CCN(CCc1ccccc1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C ZINC001337968203 1055134645 /nfs/dbraw/zinc/13/46/45/1055134645.db2.gz UXVQESSEJDANKN-UHFFFAOYSA-N -1 3 350.426 2.521 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(F)(C2CC2)CC1 ZINC001352092835 1055187145 /nfs/dbraw/zinc/18/71/45/1055187145.db2.gz CQBDTBIIMZNUHG-UHFFFAOYSA-N -1 3 351.817 2.621 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(F)(C2CC2)CC1 ZINC001352092835 1055187153 /nfs/dbraw/zinc/18/71/53/1055187153.db2.gz CQBDTBIIMZNUHG-UHFFFAOYSA-N -1 3 351.817 2.621 20 30 FFEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cc(N2CCOC2=O)ccc1F ZINC001349702970 1055423196 /nfs/dbraw/zinc/42/31/96/1055423196.db2.gz UDYRHLPBXLEZQD-LLVKDONJSA-N -1 3 362.748 2.659 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCCC(F)(F)CC1 ZINC001356381563 1055480790 /nfs/dbraw/zinc/48/07/90/1055480790.db2.gz OQYKQGKHCLYUQL-UHFFFAOYSA-N -1 3 350.373 2.642 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(C(C)(C)C)n1 ZINC000847623814 1056196077 /nfs/dbraw/zinc/19/60/77/1056196077.db2.gz GVNPGTOLPWQOIN-CYBMUJFWSA-N -1 3 354.410 2.998 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC001544760968 1071688232 /nfs/dbraw/zinc/68/82/32/1071688232.db2.gz BZNZPCBVGRBCFR-UHFFFAOYSA-N -1 3 372.856 2.825 20 30 FFEDHM CCOc1ccccc1-c1cccc(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000848134567 1059104183 /nfs/dbraw/zinc/10/41/83/1059104183.db2.gz BEGFQXZSCUXRFL-KRWDZBQOSA-N -1 3 354.406 2.862 20 30 FFEDHM CCCCCc1ccc(C(=O)CCC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848137740 1059111748 /nfs/dbraw/zinc/11/17/48/1059111748.db2.gz IYUMLHONFJOFKK-KRWDZBQOSA-N -1 3 360.454 2.879 20 30 FFEDHM N#CC[C@H]([N-]C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC001354559921 1059163455 /nfs/dbraw/zinc/16/34/55/1059163455.db2.gz XGSDBQVTNJGJFU-VIFPVBQESA-N -1 3 371.212 2.744 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001520367581 1059641063 /nfs/dbraw/zinc/64/10/63/1059641063.db2.gz HIGWQPQBXWODFV-CQSZACIVSA-N -1 3 366.400 2.760 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001520574802 1059818270 /nfs/dbraw/zinc/81/82/70/1059818270.db2.gz BIWJDKILKNXTRQ-GOSISDBHSA-N -1 3 372.498 2.659 20 30 FFEDHM Cc1ccc([C@@H](C)C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)o1 ZINC001458002571 1060487393 /nfs/dbraw/zinc/48/73/93/1060487393.db2.gz NJOGGTLMJXNBCI-CYBMUJFWSA-N -1 3 356.378 2.596 20 30 FFEDHM CCCCCCN([O-])C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001458009777 1060490965 /nfs/dbraw/zinc/49/09/65/1060490965.db2.gz FZZZWRNZNGAJMN-UHFFFAOYSA-N -1 3 368.499 2.957 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1 ZINC001475531876 1061128637 /nfs/dbraw/zinc/12/86/37/1061128637.db2.gz LWYJDDPXZXARPZ-UHFFFAOYSA-N -1 3 370.352 2.776 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001475578550 1061147207 /nfs/dbraw/zinc/14/72/07/1061147207.db2.gz IXXGWCPLPNDJFH-CYBMUJFWSA-N -1 3 366.266 2.921 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001475643361 1061179839 /nfs/dbraw/zinc/17/98/39/1061179839.db2.gz AEYPBQSUOZIEAH-CYBMUJFWSA-N -1 3 365.373 2.805 20 30 FFEDHM Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCN([O-])C3=O)cn2)cc1 ZINC001475978864 1061324318 /nfs/dbraw/zinc/32/43/18/1061324318.db2.gz JLYNJFCBAVXUGK-HNNXBMFYSA-N -1 3 356.382 2.684 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C(=O)OCC ZINC001463497897 1062130881 /nfs/dbraw/zinc/13/08/81/1062130881.db2.gz NYUGVTDPQLPRDS-CYBMUJFWSA-N -1 3 366.464 2.596 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1Br ZINC001464063709 1062407725 /nfs/dbraw/zinc/40/77/25/1062407725.db2.gz RETUJAGSTBNQHN-GHMZBOCLSA-N -1 3 362.293 2.596 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001575189006 1078114708 /nfs/dbraw/zinc/11/47/08/1078114708.db2.gz MBUKSWYDEJLVHO-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001575189006 1078114709 /nfs/dbraw/zinc/11/47/09/1078114709.db2.gz MBUKSWYDEJLVHO-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001575190372 1078115308 /nfs/dbraw/zinc/11/53/08/1078115308.db2.gz SBCHPBQNQKQUNT-LBPRGKRZSA-N -1 3 365.368 2.799 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001575190372 1078115309 /nfs/dbraw/zinc/11/53/09/1078115309.db2.gz SBCHPBQNQKQUNT-LBPRGKRZSA-N -1 3 365.368 2.799 20 30 FFEDHM Cc1noc(C(C)C)c1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001472617687 1065112421 /nfs/dbraw/zinc/11/24/21/1065112421.db2.gz CGVVWLAMVPTVOR-UHFFFAOYSA-N -1 3 371.393 2.624 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2ccc(Cl)cc2[O-])C1 ZINC001474424755 1065519181 /nfs/dbraw/zinc/51/91/81/1065519181.db2.gz PKQYVLJEKDUPIG-GXTWGEPZSA-N -1 3 351.834 2.894 20 30 FFEDHM N#CC[C@H](CC(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC001581858041 1079008869 /nfs/dbraw/zinc/00/88/69/1079008869.db2.gz OFHZFNFVQGDCBK-GFCCVEGCSA-N -1 3 367.800 2.941 20 30 FFEDHM N#CC[C@H](CC(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC001581858041 1079008875 /nfs/dbraw/zinc/00/88/75/1079008875.db2.gz OFHZFNFVQGDCBK-GFCCVEGCSA-N -1 3 367.800 2.941 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)nc(C3CC3)c2)cc1-c1nnn[n-]1 ZINC001581872999 1079010801 /nfs/dbraw/zinc/01/08/01/1079010801.db2.gz PIJIRGOYMHCFSY-UHFFFAOYSA-N -1 3 365.784 2.916 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)nc(C3CC3)c2)cc1-c1nn[n-]n1 ZINC001581872999 1079010811 /nfs/dbraw/zinc/01/08/11/1079010811.db2.gz PIJIRGOYMHCFSY-UHFFFAOYSA-N -1 3 365.784 2.916 20 30 FFEDHM N#Cc1c([N-]C(=O)c2csc(-c3ccco3)n2)ncc2c1COCC2 ZINC001584216708 1079323270 /nfs/dbraw/zinc/32/32/70/1079323270.db2.gz OLEXHXYGXFEAIG-UHFFFAOYSA-N -1 3 352.375 2.995 20 30 FFEDHM CCOc1nnc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[n-]1 ZINC001558012022 1075927935 /nfs/dbraw/zinc/92/79/35/1075927935.db2.gz XNZQOBZUEZLQFF-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CCOc1nc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n[n-]1 ZINC001558012022 1075927940 /nfs/dbraw/zinc/92/79/40/1075927940.db2.gz XNZQOBZUEZLQFF-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CCOc1n[n-]c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC001558012022 1075927943 /nfs/dbraw/zinc/92/79/43/1075927943.db2.gz XNZQOBZUEZLQFF-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC001559034761 1076118176 /nfs/dbraw/zinc/11/81/76/1076118176.db2.gz ORIUWLICAHETSR-GOSISDBHSA-N -1 3 353.463 2.675 20 30 FFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)cc1 ZINC001561555170 1076392361 /nfs/dbraw/zinc/39/23/61/1076392361.db2.gz BIVROVSQPZKDDJ-UHFFFAOYSA-N -1 3 356.806 2.917 20 30 FFEDHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC001565723471 1076757768 /nfs/dbraw/zinc/75/77/68/1076757768.db2.gz CVNIFPRPQBEUBG-SECBINFHSA-N -1 3 360.395 2.543 20 30 FFEDHM C#C[C@@H](NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1)C(C)(C)C ZINC001588327773 1079983246 /nfs/dbraw/zinc/98/32/46/1079983246.db2.gz QQSJWBXFKQYQHJ-MRXNPFEDSA-N -1 3 351.454 2.843 20 30 FFEDHM C#C[C@@H](NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1)C(C)(C)C ZINC001588327773 1079983250 /nfs/dbraw/zinc/98/32/50/1079983250.db2.gz QQSJWBXFKQYQHJ-MRXNPFEDSA-N -1 3 351.454 2.843 20 30 FFEDHM C#C[C@H](C)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588325371 1079984404 /nfs/dbraw/zinc/98/44/04/1079984404.db2.gz KEGQPBOGJQSWJZ-AWEZNQCLSA-N -1 3 361.405 2.539 20 30 FFEDHM C#CCC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001588332397 1079987568 /nfs/dbraw/zinc/98/75/68/1079987568.db2.gz ZSSVYVBWSROUSG-UHFFFAOYSA-N -1 3 350.325 2.561 20 30 FFEDHM C#CCC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001588332397 1079987572 /nfs/dbraw/zinc/98/75/72/1079987572.db2.gz ZSSVYVBWSROUSG-UHFFFAOYSA-N -1 3 350.325 2.561 20 30 FFEDHM C#CCCOc1ccc(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001588347700 1079990303 /nfs/dbraw/zinc/99/03/03/1079990303.db2.gz UNYDZZGDIHLCIB-LJQANCHMSA-N -1 3 373.416 2.686 20 30 FFEDHM C#CCCOc1ccc(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001588347700 1079990307 /nfs/dbraw/zinc/99/03/07/1079990307.db2.gz UNYDZZGDIHLCIB-LJQANCHMSA-N -1 3 373.416 2.686 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC001588337604 1079990337 /nfs/dbraw/zinc/99/03/37/1079990337.db2.gz SXKWSTYFTMJWLW-AWEZNQCLSA-N -1 3 374.404 2.539 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC001588337604 1079990338 /nfs/dbraw/zinc/99/03/38/1079990338.db2.gz SXKWSTYFTMJWLW-AWEZNQCLSA-N -1 3 374.404 2.539 20 30 FFEDHM C#CCOc1ccc(NC(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588361759 1079993210 /nfs/dbraw/zinc/99/32/10/1079993210.db2.gz ITTXQMJEYRSOOU-AWEZNQCLSA-N -1 3 361.405 2.696 20 30 FFEDHM C#CCOc1ccc(NC(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588361759 1079993215 /nfs/dbraw/zinc/99/32/15/1079993215.db2.gz ITTXQMJEYRSOOU-AWEZNQCLSA-N -1 3 361.405 2.696 20 30 FFEDHM C#CCOc1ccccc1-c1noc(-c2ccc(C)c(-c3nnn[n-]3)c2)n1 ZINC001588363146 1079994207 /nfs/dbraw/zinc/99/42/07/1079994207.db2.gz MZMJVJTXYIQLDV-UHFFFAOYSA-N -1 3 358.361 2.904 20 30 FFEDHM C#CCOc1ccccc1-c1noc(-c2ccc(C)c(-c3nn[n-]n3)c2)n1 ZINC001588363146 1079994213 /nfs/dbraw/zinc/99/42/13/1079994213.db2.gz MZMJVJTXYIQLDV-UHFFFAOYSA-N -1 3 358.361 2.904 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588391807 1080002504 /nfs/dbraw/zinc/00/25/04/1080002504.db2.gz QOLNBFZQINJBFD-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588391807 1080002516 /nfs/dbraw/zinc/00/25/16/1080002516.db2.gz QOLNBFZQINJBFD-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1C ZINC001588411373 1080013156 /nfs/dbraw/zinc/01/31/56/1080013156.db2.gz ADOKGXHCSSAWCD-LSDHHAIUSA-N -1 3 369.473 2.718 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1C ZINC001588411373 1080013164 /nfs/dbraw/zinc/01/31/64/1080013164.db2.gz ADOKGXHCSSAWCD-LSDHHAIUSA-N -1 3 369.473 2.718 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H](CC)C1 ZINC001588411900 1080015719 /nfs/dbraw/zinc/01/57/19/1080015719.db2.gz MUWRALHYCHTDKY-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H](CC)C1 ZINC001588411900 1080015728 /nfs/dbraw/zinc/01/57/28/1080015728.db2.gz MUWRALHYCHTDKY-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCNC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588424452 1080022834 /nfs/dbraw/zinc/02/28/34/1080022834.db2.gz IWGYLXAORUALNV-LBPRGKRZSA-N -1 3 354.336 2.736 20 30 FFEDHM C=C(C)CCNC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588424452 1080022845 /nfs/dbraw/zinc/02/28/45/1080022845.db2.gz IWGYLXAORUALNV-LBPRGKRZSA-N -1 3 354.336 2.736 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588426056 1080023798 /nfs/dbraw/zinc/02/37/98/1080023798.db2.gz JFJXTDVEMWGTDV-UHFFFAOYSA-N -1 3 368.397 2.562 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588426056 1080023808 /nfs/dbraw/zinc/02/38/08/1080023808.db2.gz JFJXTDVEMWGTDV-UHFFFAOYSA-N -1 3 368.397 2.562 20 30 FFEDHM C=C(C)CCNC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001588424788 1080023884 /nfs/dbraw/zinc/02/38/84/1080023884.db2.gz NHZLDEZGRHTRGZ-UHFFFAOYSA-N -1 3 363.425 2.570 20 30 FFEDHM C=C(C)CCNC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001588424788 1080023894 /nfs/dbraw/zinc/02/38/94/1080023894.db2.gz NHZLDEZGRHTRGZ-UHFFFAOYSA-N -1 3 363.425 2.570 20 30 FFEDHM C=C(C)CCOC(=O)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001588425030 1080023983 /nfs/dbraw/zinc/02/39/83/1080023983.db2.gz SVPGYWDQUOQAJO-UHFFFAOYSA-N -1 3 351.204 2.681 20 30 FFEDHM C=C(C)CCOC(=O)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001588425030 1080023993 /nfs/dbraw/zinc/02/39/93/1080023993.db2.gz SVPGYWDQUOQAJO-UHFFFAOYSA-N -1 3 351.204 2.681 20 30 FFEDHM C=C(C)c1cccc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC001588441773 1080028058 /nfs/dbraw/zinc/02/80/58/1080028058.db2.gz GZFWQJURIGDJGP-UHFFFAOYSA-N -1 3 365.393 2.926 20 30 FFEDHM C=C(C)c1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC001588441773 1080028065 /nfs/dbraw/zinc/02/80/65/1080028065.db2.gz GZFWQJURIGDJGP-UHFFFAOYSA-N -1 3 365.393 2.926 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](CCCC)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588454979 1080033198 /nfs/dbraw/zinc/03/31/98/1080033198.db2.gz MQWUMUNTHKSARJ-OAHLLOKOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](CCCC)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588454979 1080033210 /nfs/dbraw/zinc/03/32/10/1080033210.db2.gz MQWUMUNTHKSARJ-OAHLLOKOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CNc1nc(C)ccc1-c1nnn[n-]1)C(C)(C)C ZINC001588474708 1080040821 /nfs/dbraw/zinc/04/08/21/1080040821.db2.gz GJOODOQNVMHQNO-CQSZACIVSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CNc1nc(C)ccc1-c1nn[n-]n1)C(C)(C)C ZINC001588474708 1080040831 /nfs/dbraw/zinc/04/08/31/1080040831.db2.gz GJOODOQNVMHQNO-CQSZACIVSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588475098 1080041272 /nfs/dbraw/zinc/04/12/72/1080041272.db2.gz MLPPNTANEWNCHU-QWHCGFSZSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588475098 1080041282 /nfs/dbraw/zinc/04/12/82/1080041282.db2.gz MLPPNTANEWNCHU-QWHCGFSZSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](C)CCCNc1snc(C)c1-c1nnn[n-]1 ZINC001588475822 1080041638 /nfs/dbraw/zinc/04/16/38/1080041638.db2.gz OGNFBEGHPDMYSR-JTQLQIEISA-N -1 3 363.491 2.541 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588484445 1080048376 /nfs/dbraw/zinc/04/83/76/1080048376.db2.gz DDTBDQNYFDGFQK-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588484445 1080048383 /nfs/dbraw/zinc/04/83/83/1080048383.db2.gz DDTBDQNYFDGFQK-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588485079 1080050526 /nfs/dbraw/zinc/05/05/26/1080050526.db2.gz WOSZVDPZXJOKBX-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588485079 1080050531 /nfs/dbraw/zinc/05/05/31/1080050531.db2.gz WOSZVDPZXJOKBX-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC001588485988 1080050877 /nfs/dbraw/zinc/05/08/77/1080050877.db2.gz AQNNFOKGNVFWMZ-UHFFFAOYSA-N -1 3 374.514 2.998 20 30 FFEDHM C=CC(C)(C)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC001588485988 1080050886 /nfs/dbraw/zinc/05/08/86/1080050886.db2.gz AQNNFOKGNVFWMZ-UHFFFAOYSA-N -1 3 374.514 2.998 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588488140 1080052773 /nfs/dbraw/zinc/05/27/73/1080052773.db2.gz XNGUJIYBCMFTGL-MRXNPFEDSA-N -1 3 354.458 2.626 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588488140 1080052780 /nfs/dbraw/zinc/05/27/80/1080052780.db2.gz XNGUJIYBCMFTGL-MRXNPFEDSA-N -1 3 354.458 2.626 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588492553 1080053201 /nfs/dbraw/zinc/05/32/01/1080053201.db2.gz TVONOSBZIRNFAM-KUHUBIRLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588492553 1080053208 /nfs/dbraw/zinc/05/32/08/1080053208.db2.gz TVONOSBZIRNFAM-KUHUBIRLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588491369 1080054137 /nfs/dbraw/zinc/05/41/37/1080054137.db2.gz FYSRFKFKTYOOIH-KUHUBIRLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588491369 1080054147 /nfs/dbraw/zinc/05/41/47/1080054147.db2.gz FYSRFKFKTYOOIH-KUHUBIRLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588518789 1080069744 /nfs/dbraw/zinc/06/97/44/1080069744.db2.gz LKACWQCMGRBUCQ-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588518789 1080069753 /nfs/dbraw/zinc/06/97/53/1080069753.db2.gz LKACWQCMGRBUCQ-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588525220 1080077646 /nfs/dbraw/zinc/07/76/46/1080077646.db2.gz WXGAPIPJAYVSEA-ZIAGYGMSSA-N -1 3 372.448 2.551 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588525220 1080077652 /nfs/dbraw/zinc/07/76/52/1080077652.db2.gz WXGAPIPJAYVSEA-ZIAGYGMSSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588552388 1080091908 /nfs/dbraw/zinc/09/19/08/1080091908.db2.gz VLJGKPQYPPNTGC-ZIAGYGMSSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588552388 1080091919 /nfs/dbraw/zinc/09/19/19/1080091919.db2.gz VLJGKPQYPPNTGC-ZIAGYGMSSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588561329 1080099210 /nfs/dbraw/zinc/09/92/10/1080099210.db2.gz ZSUNYQIBPBCKOG-CRAIPNDOSA-N -1 3 366.469 2.650 20 30 FFEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588564153 1080099434 /nfs/dbraw/zinc/09/94/34/1080099434.db2.gz JCJHEXJDMFYZRX-KRWDZBQOSA-N -1 3 367.453 2.552 20 30 FFEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588564153 1080099441 /nfs/dbraw/zinc/09/94/41/1080099441.db2.gz JCJHEXJDMFYZRX-KRWDZBQOSA-N -1 3 367.453 2.552 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588587995 1080110820 /nfs/dbraw/zinc/11/08/20/1080110820.db2.gz BEPWEPUHCZSHQD-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588587995 1080110824 /nfs/dbraw/zinc/11/08/24/1080110824.db2.gz BEPWEPUHCZSHQD-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001588587544 1080110835 /nfs/dbraw/zinc/11/08/35/1080110835.db2.gz XOZSMOPJHKSNNK-MRXNPFEDSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001588587544 1080110838 /nfs/dbraw/zinc/11/08/38/1080110838.db2.gz XOZSMOPJHKSNNK-MRXNPFEDSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588588714 1080112215 /nfs/dbraw/zinc/11/22/15/1080112215.db2.gz XNEXZKVBENWFTE-GOEBONIOSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588588714 1080112218 /nfs/dbraw/zinc/11/22/18/1080112218.db2.gz XNEXZKVBENWFTE-GOEBONIOSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001588593768 1080115790 /nfs/dbraw/zinc/11/57/90/1080115790.db2.gz FTIOVUKWHPDVMU-CYBMUJFWSA-N -1 3 374.445 2.758 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001588593768 1080115793 /nfs/dbraw/zinc/11/57/93/1080115793.db2.gz FTIOVUKWHPDVMU-CYBMUJFWSA-N -1 3 374.445 2.758 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588635328 1080131259 /nfs/dbraw/zinc/13/12/59/1080131259.db2.gz HXMMIKSOSKRSQJ-UHFFFAOYSA-N -1 3 363.421 2.746 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588635328 1080131263 /nfs/dbraw/zinc/13/12/63/1080131263.db2.gz HXMMIKSOSKRSQJ-UHFFFAOYSA-N -1 3 363.421 2.746 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)CC(F)(F)F ZINC001588639540 1080131852 /nfs/dbraw/zinc/13/18/52/1080131852.db2.gz SUMFAGCQPJIZBA-LLVKDONJSA-N -1 3 353.348 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)CC(F)(F)F ZINC001588639540 1080131858 /nfs/dbraw/zinc/13/18/58/1080131858.db2.gz SUMFAGCQPJIZBA-LLVKDONJSA-N -1 3 353.348 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](O)CC[C@H](C)CC ZINC001588639779 1080132952 /nfs/dbraw/zinc/13/29/52/1080132952.db2.gz GLCUZCLSRKXHLW-QAPCUYQASA-N -1 3 371.485 2.959 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](O)CC[C@H](C)CC ZINC001588639779 1080132958 /nfs/dbraw/zinc/13/29/58/1080132958.db2.gz GLCUZCLSRKXHLW-QAPCUYQASA-N -1 3 371.485 2.959 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccnc1Cl ZINC001588640600 1080133605 /nfs/dbraw/zinc/13/36/05/1080133605.db2.gz VMYMVIWVXBKAID-UHFFFAOYSA-N -1 3 368.828 2.672 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccnc1Cl ZINC001588640600 1080133609 /nfs/dbraw/zinc/13/36/09/1080133609.db2.gz VMYMVIWVXBKAID-UHFFFAOYSA-N -1 3 368.828 2.672 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1(OC)CCC1 ZINC001588642037 1080134352 /nfs/dbraw/zinc/13/43/52/1080134352.db2.gz RFRJDVWWWIERSX-UHFFFAOYSA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1(OC)CCC1 ZINC001588642037 1080134359 /nfs/dbraw/zinc/13/43/59/1080134359.db2.gz RFRJDVWWWIERSX-UHFFFAOYSA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001588641419 1080134397 /nfs/dbraw/zinc/13/43/97/1080134397.db2.gz FDZSQKXOOZQVMP-QCSYZSNVSA-N -1 3 366.469 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001588641419 1080134406 /nfs/dbraw/zinc/13/44/06/1080134406.db2.gz FDZSQKXOOZQVMP-QCSYZSNVSA-N -1 3 366.469 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccc1F ZINC001588641653 1080134770 /nfs/dbraw/zinc/13/47/70/1080134770.db2.gz IXDQLGSUUXPVQN-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccccc1F ZINC001588641653 1080134772 /nfs/dbraw/zinc/13/47/72/1080134772.db2.gz IXDQLGSUUXPVQN-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1onc2ccccc21 ZINC001588648224 1080138583 /nfs/dbraw/zinc/13/85/83/1080138583.db2.gz LMMSUELZWNJWOY-UHFFFAOYSA-N -1 3 360.377 2.836 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1onc2ccccc21 ZINC001588648224 1080138589 /nfs/dbraw/zinc/13/85/89/1080138589.db2.gz LMMSUELZWNJWOY-UHFFFAOYSA-N -1 3 360.377 2.836 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(C=O)c1 ZINC001588647649 1080138653 /nfs/dbraw/zinc/13/86/53/1080138653.db2.gz AVDMUECEUWZHIZ-UHFFFAOYSA-N -1 3 365.368 2.647 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(C=O)c1 ZINC001588647649 1080138656 /nfs/dbraw/zinc/13/86/56/1080138656.db2.gz AVDMUECEUWZHIZ-UHFFFAOYSA-N -1 3 365.368 2.647 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)cc1 ZINC001588648901 1080139472 /nfs/dbraw/zinc/13/94/72/1080139472.db2.gz DGUBSMVGAFFNHX-UHFFFAOYSA-N -1 3 359.393 2.958 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C#N)cc1 ZINC001588648901 1080139478 /nfs/dbraw/zinc/13/94/78/1080139478.db2.gz DGUBSMVGAFFNHX-UHFFFAOYSA-N -1 3 359.393 2.958 20 30 FFEDHM C=CCN(c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(C)C)C1CC1 ZINC001588653277 1080142891 /nfs/dbraw/zinc/14/28/91/1080142891.db2.gz AVKJKLWRVCEJJB-UHFFFAOYSA-N -1 3 364.457 2.936 20 30 FFEDHM C=CCN(c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(C)C)C1CC1 ZINC001588653277 1080142900 /nfs/dbraw/zinc/14/29/00/1080142900.db2.gz AVKJKLWRVCEJJB-UHFFFAOYSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C[C@H](C(=O)[O-])N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001588663388 1080146561 /nfs/dbraw/zinc/14/65/61/1080146561.db2.gz MCUCFBOFXVWOHV-SDDRHHMPSA-N -1 3 366.380 2.651 20 30 FFEDHM C=CCO[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001588665397 1080146789 /nfs/dbraw/zinc/14/67/89/1080146789.db2.gz KKEKEAXMJLOOKJ-CQSZACIVSA-N -1 3 354.414 2.553 20 30 FFEDHM C=CCO[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001588665397 1080146795 /nfs/dbraw/zinc/14/67/95/1080146795.db2.gz KKEKEAXMJLOOKJ-CQSZACIVSA-N -1 3 354.414 2.553 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588688798 1080154361 /nfs/dbraw/zinc/15/43/61/1080154361.db2.gz RAMWJGOXQAKIJN-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588688798 1080154368 /nfs/dbraw/zinc/15/43/68/1080154368.db2.gz RAMWJGOXQAKIJN-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1C[C@@H](C)C[C@H]1C ZINC001588699516 1080160789 /nfs/dbraw/zinc/16/07/89/1080160789.db2.gz JZEQEMLULYJYIN-QWHCGFSZSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1C[C@@H](C)C[C@H]1C ZINC001588699516 1080160793 /nfs/dbraw/zinc/16/07/93/1080160793.db2.gz JZEQEMLULYJYIN-QWHCGFSZSA-N -1 3 350.430 2.546 20 30 FFEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588780641 1080192292 /nfs/dbraw/zinc/19/22/92/1080192292.db2.gz IJMBJUVFNSKTRH-UHFFFAOYSA-N -1 3 354.393 2.929 20 30 FFEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588780641 1080192294 /nfs/dbraw/zinc/19/22/94/1080192294.db2.gz IJMBJUVFNSKTRH-UHFFFAOYSA-N -1 3 354.393 2.929 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC001589463701 1080545574 /nfs/dbraw/zinc/54/55/74/1080545574.db2.gz JVJLPCNSCDMDSO-BXUZGUMPSA-N -1 3 366.377 2.649 20 30 FFEDHM CC(C)CCC[C@@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589596361 1080628120 /nfs/dbraw/zinc/62/81/20/1080628120.db2.gz SEAFTOHWHNMELW-PBHICJAKSA-N -1 3 354.458 2.880 20 30 FFEDHM CC(C)c1ccc(C=NOCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001589769540 1080723597 /nfs/dbraw/zinc/72/35/97/1080723597.db2.gz MIFFSIDIOROPKA-UHFFFAOYSA-N -1 3 364.409 2.979 20 30 FFEDHM CC(C)c1ccc(C=NOCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001589769540 1080723603 /nfs/dbraw/zinc/72/36/03/1080723603.db2.gz MIFFSIDIOROPKA-UHFFFAOYSA-N -1 3 364.409 2.979 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC001589897454 1080844023 /nfs/dbraw/zinc/84/40/23/1080844023.db2.gz IOLYFQYZSNKKFA-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC001589897454 1080844026 /nfs/dbraw/zinc/84/40/26/1080844026.db2.gz IOLYFQYZSNKKFA-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM CC(Cn1cccn1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001589903962 1080854092 /nfs/dbraw/zinc/85/40/92/1080854092.db2.gz GOAUPQZTQOTWAX-UHFFFAOYSA-N -1 3 350.308 2.570 20 30 FFEDHM CC(Cn1cccn1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001589903962 1080854094 /nfs/dbraw/zinc/85/40/94/1080854094.db2.gz GOAUPQZTQOTWAX-UHFFFAOYSA-N -1 3 350.308 2.570 20 30 FFEDHM C[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589937365 1080882370 /nfs/dbraw/zinc/88/23/70/1080882370.db2.gz CMTICBKJHFWTKG-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589937365 1080882380 /nfs/dbraw/zinc/88/23/80/1080882380.db2.gz CMTICBKJHFWTKG-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](ON=CC(=O)Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590021496 1080947651 /nfs/dbraw/zinc/94/76/51/1080947651.db2.gz WYLHHLJKJNLRIL-NSHDSACASA-N -1 3 354.345 2.708 20 30 FFEDHM C[C@H](ON=CC(=O)Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590021496 1080947657 /nfs/dbraw/zinc/94/76/57/1080947657.db2.gz WYLHHLJKJNLRIL-NSHDSACASA-N -1 3 354.345 2.708 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590049857 1080978255 /nfs/dbraw/zinc/97/82/55/1080978255.db2.gz QLAKXXMBHQHGQU-BMSUMIBZSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590049857 1080978259 /nfs/dbraw/zinc/97/82/59/1080978259.db2.gz QLAKXXMBHQHGQU-BMSUMIBZSA-N -1 3 358.405 2.971 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1(C)C ZINC001590146526 1081049571 /nfs/dbraw/zinc/04/95/71/1081049571.db2.gz CNHZLOCBUIBLIE-CVEARBPZSA-N -1 3 373.453 2.919 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590238896 1081114518 /nfs/dbraw/zinc/11/45/18/1081114518.db2.gz JSDNYFXPCXJJKK-NALNUFGESA-N -1 3 350.426 2.559 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590238896 1081114521 /nfs/dbraw/zinc/11/45/21/1081114521.db2.gz JSDNYFXPCXJJKK-NALNUFGESA-N -1 3 350.426 2.559 20 30 FFEDHM C[C@@H]1CCc2nc(NC(=O)c3ccc(C#N)s3)c(-c3nnn[n-]3)cc2C1 ZINC001590282055 1081138654 /nfs/dbraw/zinc/13/86/54/1081138654.db2.gz YTDHXYXTNYRQON-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@@H]1CCc2nc(NC(=O)c3ccc(C#N)s3)c(-c3nn[n-]n3)cc2C1 ZINC001590282055 1081138657 /nfs/dbraw/zinc/13/86/57/1081138657.db2.gz YTDHXYXTNYRQON-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM COC(=O)c1cccc(CN[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1C#N ZINC001606615834 1126232201 /nfs/dbraw/zinc/23/22/01/1126232201.db2.gz BDSVIIHWIKQGRQ-HXUWFJFHSA-N -1 3 370.380 2.660 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)ccc1C#N ZINC000277633543 256220328 /nfs/dbraw/zinc/22/03/28/256220328.db2.gz PDOBMQOBHPNCHC-UHFFFAOYSA-N -1 3 371.462 2.813 20 30 FFEDHM COCc1nnc(Sc2nc3c(c(C#N)c2C#N)CCCCCC3)[n-]1 ZINC000280039734 256476066 /nfs/dbraw/zinc/47/60/66/256476066.db2.gz AQGSEVFNYGDMPY-UHFFFAOYSA-N -1 3 354.439 2.900 20 30 FFEDHM COCc1nc(Sc2nc3c(c(C#N)c2C#N)CCCCCC3)n[n-]1 ZINC000280039734 256476067 /nfs/dbraw/zinc/47/60/67/256476067.db2.gz AQGSEVFNYGDMPY-UHFFFAOYSA-N -1 3 354.439 2.900 20 30 FFEDHM CC(C)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c([O-])c1 ZINC000298915544 257949495 /nfs/dbraw/zinc/94/94/95/257949495.db2.gz FFYQINADMPPOJE-UHFFFAOYSA-N -1 3 350.422 2.745 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccc(F)cc2O1 ZINC000331967584 258208215 /nfs/dbraw/zinc/20/82/15/258208215.db2.gz QMDLLSMEXSUXNB-CYBMUJFWSA-N -1 3 350.371 2.871 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C#N)c1Br)C(C)C ZINC000592353916 520347101 /nfs/dbraw/zinc/34/71/01/520347101.db2.gz QVNIGVDJUIVQOK-LBPRGKRZSA-N -1 3 361.261 2.733 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC#N)C2CC2)ccc1Cl ZINC000065894417 506387276 /nfs/dbraw/zinc/38/72/76/506387276.db2.gz QBPIDUXKBYGAKV-UHFFFAOYSA-N -1 3 369.874 2.545 20 30 FFEDHM C#CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000056361670 506996275 /nfs/dbraw/zinc/99/62/75/506996275.db2.gz OEBYXYICFLDLND-UHFFFAOYSA-N -1 3 356.875 2.512 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000057746199 507320364 /nfs/dbraw/zinc/32/03/64/507320364.db2.gz QRHODOYFRCCTPB-UHFFFAOYSA-N -1 3 369.446 2.769 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2sccc2C#N)cc1OC ZINC000052036405 507794995 /nfs/dbraw/zinc/79/49/95/507794995.db2.gz QUQLRRWXOPGURJ-UHFFFAOYSA-N -1 3 365.436 2.642 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C#N)c2)cc1 ZINC000078780479 507906706 /nfs/dbraw/zinc/90/67/06/507906706.db2.gz VRUMCCHKGRKFBT-CQSZACIVSA-N -1 3 371.462 2.994 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000075274649 508093418 /nfs/dbraw/zinc/09/34/18/508093418.db2.gz KPFIBPXDJKJNKZ-LLVKDONJSA-N -1 3 361.398 2.560 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])CC1 ZINC000081751189 508208861 /nfs/dbraw/zinc/20/88/61/508208861.db2.gz VFISPXSBDQKWIC-UHFFFAOYSA-N -1 3 372.444 2.796 20 30 FFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1cccs1 ZINC000077373760 508306945 /nfs/dbraw/zinc/30/69/45/508306945.db2.gz LJGVDFAXHYTGSY-CYBMUJFWSA-N -1 3 364.448 2.511 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000127253071 508421522 /nfs/dbraw/zinc/42/15/22/508421522.db2.gz XVNVCMSLKOQLIS-UHFFFAOYSA-N -1 3 367.224 2.505 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCOCC1 ZINC000156465108 508425048 /nfs/dbraw/zinc/42/50/48/508425048.db2.gz MJKSCVIPUKCVOE-UHFFFAOYSA-N -1 3 374.437 2.724 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2F ZINC000156731347 508468922 /nfs/dbraw/zinc/46/89/22/508468922.db2.gz QZLPHWKCBZIHHE-CQSZACIVSA-N -1 3 361.354 2.571 20 30 FFEDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000123097956 508635698 /nfs/dbraw/zinc/63/56/98/508635698.db2.gz AXBNFKOOJKIDOM-VIFPVBQESA-N -1 3 351.409 2.876 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1CCO[C@H]1CCCCO1 ZINC000136539392 508699533 /nfs/dbraw/zinc/69/95/33/508699533.db2.gz KFFLFKXRPSWLIY-YJBOKZPZSA-N -1 3 354.410 2.620 20 30 FFEDHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000123810744 508742054 /nfs/dbraw/zinc/74/20/54/508742054.db2.gz FYORVMJMDWEHFN-LLVKDONJSA-N -1 3 364.389 2.654 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119284268 508764302 /nfs/dbraw/zinc/76/43/02/508764302.db2.gz YPPDXNSNDXGQHJ-UHFFFAOYSA-N -1 3 350.382 2.620 20 30 FFEDHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000154550517 508807521 /nfs/dbraw/zinc/80/75/21/508807521.db2.gz VMJYUEXJFXPLNK-AWEZNQCLSA-N -1 3 357.435 2.584 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@@H](C)c1ccccc1 ZINC000124422576 508829237 /nfs/dbraw/zinc/82/92/37/508829237.db2.gz FFVPABZGOHNFPD-CHWSQXEVSA-N -1 3 359.407 2.937 20 30 FFEDHM COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccc1 ZINC000124435487 508831517 /nfs/dbraw/zinc/83/15/17/508831517.db2.gz BQXVOLGCKOKLKA-KSSFIOAISA-N -1 3 372.446 2.695 20 30 FFEDHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000124963971 508910932 /nfs/dbraw/zinc/91/09/32/508910932.db2.gz NKSLLMBHAVUMMQ-NEPJUHHUSA-N -1 3 369.468 2.809 20 30 FFEDHM N#Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)c2ccccc2n1 ZINC000120033513 508913968 /nfs/dbraw/zinc/91/39/68/508913968.db2.gz LNVLCOCGASJHPC-UHFFFAOYSA-N -1 3 358.448 2.558 20 30 FFEDHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151024885 508942420 /nfs/dbraw/zinc/94/24/20/508942420.db2.gz YYYJQFBXQPHUJC-UHFFFAOYSA-N -1 3 372.425 2.724 20 30 FFEDHM COc1cc(F)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000125354856 508970006 /nfs/dbraw/zinc/97/00/06/508970006.db2.gz REQGHLWEOWTSAZ-UHFFFAOYSA-N -1 3 361.348 2.722 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)c(F)c1 ZINC000151195700 508976243 /nfs/dbraw/zinc/97/62/43/508976243.db2.gz UEOJEJLHMCUSAG-HNNXBMFYSA-N -1 3 359.426 2.645 20 30 FFEDHM CC[N-]C(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cc([O-])ccc1F ZINC000160377165 508978376 /nfs/dbraw/zinc/97/83/76/508978376.db2.gz DRXKFAPZYDZOPG-UHFFFAOYSA-O -1 3 359.446 2.856 20 30 FFEDHM N#Cc1cccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)n2)c1 ZINC000160643517 509013946 /nfs/dbraw/zinc/01/39/46/509013946.db2.gz UYLBIVZHOAVARW-UHFFFAOYSA-N -1 3 374.381 2.818 20 30 FFEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1C ZINC000161108372 509072707 /nfs/dbraw/zinc/07/27/07/509072707.db2.gz BWYNVSCPRJUFNK-CQSZACIVSA-N -1 3 351.428 2.962 20 30 FFEDHM CC#CCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000120949965 509094983 /nfs/dbraw/zinc/09/49/83/509094983.db2.gz DUFMSHNAJORHLA-UHFFFAOYSA-N -1 3 354.497 2.502 20 30 FFEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCC#N)ccc2C)c(C)c1 ZINC000126874543 509141122 /nfs/dbraw/zinc/14/11/22/509141122.db2.gz HFYPDYNLRVKAQQ-UHFFFAOYSA-N -1 3 371.462 2.974 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000156297225 509156362 /nfs/dbraw/zinc/15/63/62/509156362.db2.gz WPPZSWNSBRPVIJ-UHFFFAOYSA-N -1 3 363.395 2.892 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182720411 509393071 /nfs/dbraw/zinc/39/30/71/509393071.db2.gz YDVQJOSHNPHLTJ-UHFFFAOYSA-N -1 3 368.441 2.531 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c(C)o1 ZINC000167065288 509624130 /nfs/dbraw/zinc/62/41/30/509624130.db2.gz QMCZFDNCWVBWSY-CQSZACIVSA-N -1 3 362.407 2.698 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccc(Cl)c(C[S@@](C)=O)c2)c1[O-] ZINC000265165375 509898612 /nfs/dbraw/zinc/89/86/12/509898612.db2.gz LZJZSNBQJTVEPZ-BFOXQQRMSA-N -1 3 352.843 2.870 20 30 FFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186808687 509904529 /nfs/dbraw/zinc/90/45/29/509904529.db2.gz UMFREAIVBUSQQX-JSGCOSHPSA-N -1 3 372.874 2.868 20 30 FFEDHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)CCCCC#N)n2)ccc1F ZINC000268490079 509964946 /nfs/dbraw/zinc/96/49/46/509964946.db2.gz LRSPEEBLSWDOJC-LBPRGKRZSA-N -1 3 366.418 2.858 20 30 FFEDHM O=C(CN[C@H](c1cccc(F)c1F)C(F)(F)F)[N-]CC(F)(F)F ZINC000181218670 510307919 /nfs/dbraw/zinc/30/79/19/510307919.db2.gz VLZLBSSEKNTVTQ-SNVBAGLBSA-N -1 3 350.209 2.836 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181390624 510386904 /nfs/dbraw/zinc/38/69/04/510386904.db2.gz GLCRYTBMQJMDKQ-NSHDSACASA-N -1 3 364.317 2.700 20 30 FFEDHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000191008265 510463354 /nfs/dbraw/zinc/46/33/54/510463354.db2.gz VWFAFAYCTMOZOJ-GUYCJALGSA-N -1 3 370.446 2.602 20 30 FFEDHM CC(=O)Nc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)c1 ZINC000266403125 510564465 /nfs/dbraw/zinc/56/44/65/510564465.db2.gz YCQHVBXRSHEBAT-UHFFFAOYSA-N -1 3 371.368 2.911 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263319017 510660489 /nfs/dbraw/zinc/66/04/89/510660489.db2.gz JFOUJVSKMBIYBK-KKUMJFAQSA-N -1 3 350.484 2.694 20 30 FFEDHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185072752 510668485 /nfs/dbraw/zinc/66/84/85/510668485.db2.gz JJGPXRBHEWFWTC-CZUORRHYSA-N -1 3 356.875 2.941 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(N(C)C)c1C ZINC000181937218 510669142 /nfs/dbraw/zinc/66/91/42/510669142.db2.gz NRBSNFGLMZZSIC-UHFFFAOYSA-N -1 3 352.438 2.809 20 30 FFEDHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000195443768 510827821 /nfs/dbraw/zinc/82/78/21/510827821.db2.gz AEXPWSJJXHYPIL-UHFFFAOYSA-N -1 3 364.814 2.756 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1[O-] ZINC000275350801 510880181 /nfs/dbraw/zinc/88/01/81/510880181.db2.gz ZCMZYIMFWKTWEC-SNECLCAASA-N -1 3 363.458 2.652 20 30 FFEDHM CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1csc(=NC3CC3)[n-]1)C2 ZINC000330206488 510937916 /nfs/dbraw/zinc/93/79/16/510937916.db2.gz DHNCNBPNMVKMOY-GFCCVEGCSA-N -1 3 359.499 2.953 20 30 FFEDHM C=C(CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000288104542 511065040 /nfs/dbraw/zinc/06/50/40/511065040.db2.gz UXQMLUKCSNOFEG-UHFFFAOYSA-N -1 3 369.387 2.800 20 30 FFEDHM C#CCO[N-]C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000291171570 511161721 /nfs/dbraw/zinc/16/17/21/511161721.db2.gz DPWYQRRUPQIDJM-UHFFFAOYSA-N -1 3 361.751 2.651 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)Cc3ccc(F)cc3C#N)CCC2)n1 ZINC000295136751 511295555 /nfs/dbraw/zinc/29/55/55/511295555.db2.gz BORBEWPNBNVIRD-UHFFFAOYSA-N -1 3 365.455 2.961 20 30 FFEDHM COc1cc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc(OC)c1OC ZINC000298638620 511357460 /nfs/dbraw/zinc/35/74/60/511357460.db2.gz JNFXQPZMXZCIBA-PQDFQZGZSA-N -1 3 360.410 2.794 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000291887235 511378390 /nfs/dbraw/zinc/37/83/90/511378390.db2.gz OAROGTQWUJAOAR-LLVKDONJSA-N -1 3 372.365 2.648 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(C)o1 ZINC000272149399 511447464 /nfs/dbraw/zinc/44/74/64/511447464.db2.gz LVQLZPCLGDEUEX-OAHLLOKOSA-N -1 3 352.387 2.655 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000292237085 511516377 /nfs/dbraw/zinc/51/63/77/511516377.db2.gz NTTSZBJWGIREDB-UHFFFAOYSA-N -1 3 356.513 2.620 20 30 FFEDHM COc1cc(Br)c(S(=O)(=O)[N-]CCCC#N)cc1Cl ZINC000273487768 511529087 /nfs/dbraw/zinc/52/90/87/511529087.db2.gz GUACKLRTNLZKKC-UHFFFAOYSA-N -1 3 367.652 2.693 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1[O-] ZINC000299429362 511632447 /nfs/dbraw/zinc/63/24/47/511632447.db2.gz BTVMXGXXBHDCDK-IQTKXSAKSA-N -1 3 355.438 2.952 20 30 FFEDHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000310279986 511770543 /nfs/dbraw/zinc/77/05/43/511770543.db2.gz KSJJMHILSQLRME-CJNGLKHVSA-N -1 3 361.492 2.561 20 30 FFEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)C2CC2)n1 ZINC000293283793 511907892 /nfs/dbraw/zinc/90/78/92/511907892.db2.gz HUTKYRIIWDFMIA-AWEZNQCLSA-N -1 3 351.428 2.892 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000274752574 511931200 /nfs/dbraw/zinc/93/12/00/511931200.db2.gz LRRAHVPBGFGTKE-CYBMUJFWSA-N -1 3 354.815 2.861 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000284965960 511948265 /nfs/dbraw/zinc/94/82/65/511948265.db2.gz COJBMUQEJJFOCK-SNVBAGLBSA-N -1 3 369.331 2.743 20 30 FFEDHM Cn1nccc1[C@@H]1[C@H](C(=O)Nc2cc(F)ccc2[O-])CCC(=O)N1C1CC1 ZINC000329009784 511966399 /nfs/dbraw/zinc/96/63/99/511966399.db2.gz ZISAVIGXXUGYFG-ACJLOTCBSA-N -1 3 372.400 2.995 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H]1OCCc2sccc21 ZINC000366344705 511968693 /nfs/dbraw/zinc/96/86/93/511968693.db2.gz XJQRBTNZMGMYLN-LKFCYVNXSA-N -1 3 354.478 2.662 20 30 FFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C12CCCC2 ZINC000329267841 512017871 /nfs/dbraw/zinc/01/78/71/512017871.db2.gz HWOKOVUFZCTNLA-NWDGAFQWSA-N -1 3 373.500 2.767 20 30 FFEDHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000329417013 512041318 /nfs/dbraw/zinc/04/13/18/512041318.db2.gz FXSZRABSGCAQAF-WMZOPIPTSA-N -1 3 370.453 2.951 20 30 FFEDHM COc1ccc([O-])c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 ZINC000371542003 512456213 /nfs/dbraw/zinc/45/62/13/512456213.db2.gz GYBQQGAHZWCLAN-UHFFFAOYSA-N -1 3 365.433 2.689 20 30 FFEDHM N#CCOc1ccccc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000377941048 512521985 /nfs/dbraw/zinc/52/19/85/512521985.db2.gz GWWGSPMBSQVZCK-UHFFFAOYSA-N -1 3 355.304 2.905 20 30 FFEDHM N#CCOc1ccccc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000377941048 512521989 /nfs/dbraw/zinc/52/19/89/512521989.db2.gz GWWGSPMBSQVZCK-UHFFFAOYSA-N -1 3 355.304 2.905 20 30 FFEDHM N#CCOc1ccccc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000377941048 512521992 /nfs/dbraw/zinc/52/19/92/512521992.db2.gz GWWGSPMBSQVZCK-UHFFFAOYSA-N -1 3 355.304 2.905 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)c(C(F)(F)F)c1 ZINC000368362606 512914586 /nfs/dbraw/zinc/91/45/86/512914586.db2.gz RAKHIOJTZIBOTH-UHFFFAOYSA-N -1 3 374.384 2.815 20 30 FFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000421253105 513178412 /nfs/dbraw/zinc/17/84/12/513178412.db2.gz WGXCUHHBIWTOAR-CYBMUJFWSA-N -1 3 368.402 2.741 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424965777 513346281 /nfs/dbraw/zinc/34/62/81/513346281.db2.gz GVBAEGJARAMRKK-PXNSSMCTSA-N -1 3 353.397 2.962 20 30 FFEDHM N#Cc1cc(F)c(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c(F)c1 ZINC000440647663 513369713 /nfs/dbraw/zinc/36/97/13/513369713.db2.gz IAJKMIIGDYSVHF-UHFFFAOYSA-N -1 3 373.331 2.505 20 30 FFEDHM CC(C)(C)OC(=O)C(C)(C)CC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000425189328 513443646 /nfs/dbraw/zinc/44/36/46/513443646.db2.gz MBACDASJSCXZQE-UHFFFAOYSA-N -1 3 358.485 2.656 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429829684 513476380 /nfs/dbraw/zinc/47/63/80/513476380.db2.gz MBIDZOFMSHMUTI-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM CCc1[nH]n(C)c2nnc([N-]C(=O)c3cc(-c4cccc(C#N)c4)no3)c1-2 ZINC000447510182 513492930 /nfs/dbraw/zinc/49/29/30/513492930.db2.gz XYLXQRDYBWENTL-UHFFFAOYSA-N -1 3 361.365 2.638 20 30 FFEDHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccc(C#N)s2)c(C)n1 ZINC000435425584 513580028 /nfs/dbraw/zinc/58/00/28/513580028.db2.gz ZHSGJOILRCCTCT-UHFFFAOYSA-N -1 3 352.485 2.793 20 30 FFEDHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000435424481 513580227 /nfs/dbraw/zinc/58/02/27/513580227.db2.gz VQJMUKDAYQISKJ-DLBZAZTESA-N -1 3 360.410 2.930 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000435427852 513581472 /nfs/dbraw/zinc/58/14/72/513581472.db2.gz NSJQGMSDSWHHRS-CYBMUJFWSA-N -1 3 356.856 2.939 20 30 FFEDHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435430353 513582958 /nfs/dbraw/zinc/58/29/58/513582958.db2.gz AQFZGNWTNNVUCL-UHFFFAOYSA-N -1 3 370.496 2.799 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)nc2)s1 ZINC000435436754 513588389 /nfs/dbraw/zinc/58/83/89/513588389.db2.gz GWFQLJNOVKKILD-UHFFFAOYSA-N -1 3 363.464 2.815 20 30 FFEDHM CN(C)C(=O)c1ccnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000448288293 513726154 /nfs/dbraw/zinc/72/61/54/513726154.db2.gz VZQMBSWPTZZWLD-UHFFFAOYSA-N -1 3 361.361 2.562 20 30 FFEDHM C[C@H]([N-]C(=O)C(=O)Nc1cc(F)c(OC(F)F)cc1F)C(F)(F)F ZINC000425787257 513748515 /nfs/dbraw/zinc/74/85/15/513748515.db2.gz ZUQJBUMVLVHAGB-BYPYZUCNSA-N -1 3 362.201 2.572 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(c2c(F)cccc2F)CCC1 ZINC000416580803 513846684 /nfs/dbraw/zinc/84/66/84/513846684.db2.gz CNBRYNODCOILIG-UHFFFAOYSA-N -1 3 363.389 2.632 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443054227 513855485 /nfs/dbraw/zinc/85/54/85/513855485.db2.gz YYYNHWJOJSLTAI-SNVBAGLBSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443054227 513855489 /nfs/dbraw/zinc/85/54/89/513855489.db2.gz YYYNHWJOJSLTAI-SNVBAGLBSA-N -1 3 355.851 2.543 20 30 FFEDHM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443067634 513860500 /nfs/dbraw/zinc/86/05/00/513860500.db2.gz FPJIQEWKGQXQLH-JSGCOSHPSA-N -1 3 351.428 2.960 20 30 FFEDHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443065110 513861520 /nfs/dbraw/zinc/86/15/20/513861520.db2.gz DXJLGPFJKNCOFU-OLZOCXBDSA-N -1 3 351.428 2.960 20 30 FFEDHM Cc1ccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000443087101 513867937 /nfs/dbraw/zinc/86/79/37/513867937.db2.gz OTKYKSXESHNCRB-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443086496 513868727 /nfs/dbraw/zinc/86/87/27/513868727.db2.gz OJJNVWADUCLPRN-ZDUSSCGKSA-N -1 3 355.891 2.754 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCCC[C@H]1C ZINC000443101381 513872532 /nfs/dbraw/zinc/87/25/32/513872532.db2.gz CORKOZCRLGBSEB-OLZOCXBDSA-N -1 3 355.891 2.753 20 30 FFEDHM COC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c[n-]1 ZINC000431327449 513874815 /nfs/dbraw/zinc/87/48/15/513874815.db2.gz HMWKZDLCRZAJDF-UHFFFAOYSA-N -1 3 366.402 2.973 20 30 FFEDHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OC ZINC000451803949 513990219 /nfs/dbraw/zinc/99/02/19/513990219.db2.gz SNLSRYWUPPPWPU-CYBMUJFWSA-N -1 3 350.362 2.670 20 30 FFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451812765 513996488 /nfs/dbraw/zinc/99/64/88/513996488.db2.gz PNJJNSYDNNNECB-UHFFFAOYSA-N -1 3 363.233 2.848 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436999581 514070154 /nfs/dbraw/zinc/07/01/54/514070154.db2.gz JZECOCVMHTYNEL-UHFFFAOYSA-N -1 3 356.422 2.671 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000452028510 514144650 /nfs/dbraw/zinc/14/46/50/514144650.db2.gz HLNWFUTXSPWDBS-SECBINFHSA-N -1 3 368.680 2.708 20 30 FFEDHM CS(=O)(=O)c1cccnc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000414668584 514233582 /nfs/dbraw/zinc/23/35/82/514233582.db2.gz AIEHIOSTMGXOMK-UHFFFAOYSA-N -1 3 361.448 2.549 20 30 FFEDHM C=CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)c1nc2c(s1)CCCC2 ZINC000444455298 514234409 /nfs/dbraw/zinc/23/44/09/514234409.db2.gz RXCIZFLTANDGBK-UHFFFAOYSA-N -1 3 358.467 2.896 20 30 FFEDHM COCCc1cc(O)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000444584483 514265901 /nfs/dbraw/zinc/26/59/01/514265901.db2.gz UGTABBZXSPMOAO-UHFFFAOYSA-N -1 3 369.421 2.742 20 30 FFEDHM CCOC(=O)c1nnc(C2CCN(CC#Cc3ccccc3Cl)CC2)[n-]1 ZINC000444814378 514343262 /nfs/dbraw/zinc/34/32/62/514343262.db2.gz DMSNALBHSCRZJX-UHFFFAOYSA-N -1 3 372.856 2.866 20 30 FFEDHM CCOC(=O)c1nc(C2CCN(CC#Cc3ccccc3Cl)CC2)n[n-]1 ZINC000444814378 514343267 /nfs/dbraw/zinc/34/32/67/514343267.db2.gz DMSNALBHSCRZJX-UHFFFAOYSA-N -1 3 372.856 2.866 20 30 FFEDHM CCOC(=O)c1n[n-]c(C2CCN(CC#Cc3ccccc3Cl)CC2)n1 ZINC000444814378 514343272 /nfs/dbraw/zinc/34/32/72/514343272.db2.gz DMSNALBHSCRZJX-UHFFFAOYSA-N -1 3 372.856 2.866 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1OC(F)F ZINC000428260036 514435084 /nfs/dbraw/zinc/43/50/84/514435084.db2.gz QBNOOWGTPBYZDA-SNVBAGLBSA-N -1 3 353.350 2.594 20 30 FFEDHM CC1(C)[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C[C@@H]1OCc1ccccc1 ZINC000428398883 514466121 /nfs/dbraw/zinc/46/61/21/514466121.db2.gz AEYJZFGIPLZOIF-ROUUACIJSA-N -1 3 371.462 2.615 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428402199 514467485 /nfs/dbraw/zinc/46/74/85/514467485.db2.gz RHTMOTGBAGTBIY-VIFPVBQESA-N -1 3 368.680 2.565 20 30 FFEDHM C=CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000452780397 514493853 /nfs/dbraw/zinc/49/38/53/514493853.db2.gz XJFXPHPVHSZZJT-UHFFFAOYSA-N -1 3 365.282 2.600 20 30 FFEDHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000421154557 514508400 /nfs/dbraw/zinc/50/84/00/514508400.db2.gz NEBUFDKXXBREKA-KRWDZBQOSA-N -1 3 373.478 2.989 20 30 FFEDHM C=CCOCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000439245516 514512556 /nfs/dbraw/zinc/51/25/56/514512556.db2.gz AUVGXMQRYTUAIR-UHFFFAOYSA-N -1 3 355.167 2.514 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000508070716 514654218 /nfs/dbraw/zinc/65/42/18/514654218.db2.gz WKCWLFOFBMJEQF-OAHLLOKOSA-N -1 3 356.831 2.992 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000479765295 514715457 /nfs/dbraw/zinc/71/54/57/514715457.db2.gz IMLONDXJVQLNKV-UHFFFAOYSA-N -1 3 355.304 2.639 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000479765295 514715466 /nfs/dbraw/zinc/71/54/66/514715466.db2.gz IMLONDXJVQLNKV-UHFFFAOYSA-N -1 3 355.304 2.639 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000479765295 514715472 /nfs/dbraw/zinc/71/54/72/514715472.db2.gz IMLONDXJVQLNKV-UHFFFAOYSA-N -1 3 355.304 2.639 20 30 FFEDHM CCCNC(=O)C1([N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCCC1 ZINC000475758997 514797408 /nfs/dbraw/zinc/79/74/08/514797408.db2.gz XBAMWZQFFQCWPN-UHFFFAOYSA-N -1 3 369.531 2.609 20 30 FFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462076810 514867252 /nfs/dbraw/zinc/86/72/52/514867252.db2.gz PCMXNWPLZPXUJV-UHFFFAOYSA-N -1 3 374.365 2.800 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1Cl)C(=O)OCC ZINC000489624878 514921034 /nfs/dbraw/zinc/92/10/34/514921034.db2.gz IZXWOWKVUZYQPZ-HNNXBMFYSA-N -1 3 359.875 2.700 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Oc1cccc(F)c1 ZINC000476313081 514997993 /nfs/dbraw/zinc/99/79/93/514997993.db2.gz KIHWMNUPEGIMEE-AWEZNQCLSA-N -1 3 354.447 2.986 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)c1 ZINC000476428534 515047405 /nfs/dbraw/zinc/04/74/05/515047405.db2.gz ZWYIMWOIJTUCHG-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCCCC1 ZINC000480840582 515103655 /nfs/dbraw/zinc/10/36/55/515103655.db2.gz FYDOOZPLGKMFJV-INIZCTEOSA-N -1 3 356.875 2.821 20 30 FFEDHM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000467765339 515109075 /nfs/dbraw/zinc/10/90/75/515109075.db2.gz CNBKILGWBBELJH-UHFFFAOYSA-N -1 3 356.860 2.665 20 30 FFEDHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000490480920 515226876 /nfs/dbraw/zinc/22/68/76/515226876.db2.gz ZRJGZBOMYBQRCV-UHFFFAOYSA-N -1 3 370.887 2.708 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)nc(C)n1 ZINC000505306284 515501924 /nfs/dbraw/zinc/50/19/24/515501924.db2.gz SJAAIBKPSZNVMK-VBQJREDUSA-N -1 3 365.437 2.592 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(Cl)c1 ZINC000486506688 515517209 /nfs/dbraw/zinc/51/72/09/515517209.db2.gz JUPLOAHNVMOMAH-UHFFFAOYSA-N -1 3 359.794 2.854 20 30 FFEDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000486638103 515574933 /nfs/dbraw/zinc/57/49/33/515574933.db2.gz FEOJDWXXNOMSLO-VHSXEESVSA-N -1 3 367.862 2.883 20 30 FFEDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000510561550 515589222 /nfs/dbraw/zinc/58/92/22/515589222.db2.gz XEEZBRATNZKLKY-GZMMTYOYSA-N -1 3 350.387 2.607 20 30 FFEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000505778727 515668790 /nfs/dbraw/zinc/66/87/90/515668790.db2.gz SVSNITOYYSGPSX-IBGZPJMESA-N -1 3 354.410 2.699 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2nc3ccccc3s2)c(F)c1 ZINC000478167345 515723533 /nfs/dbraw/zinc/72/35/33/515723533.db2.gz AMSFUKURWBQOGX-UHFFFAOYSA-N -1 3 361.423 2.927 20 30 FFEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CC[C@@H](C)C1 ZINC000482668103 515761101 /nfs/dbraw/zinc/76/11/01/515761101.db2.gz VEDQDJSQJBIFQY-CZUORRHYSA-N -1 3 359.470 2.872 20 30 FFEDHM COC(=O)c1cc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c[n-]1 ZINC000512617086 516314165 /nfs/dbraw/zinc/31/41/65/516314165.db2.gz KKQXZHKEPCBOFJ-UHFFFAOYSA-N -1 3 353.256 2.824 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000561098543 516376545 /nfs/dbraw/zinc/37/65/45/516376545.db2.gz AVHVOVXKJPMQTL-SECBINFHSA-N -1 3 368.680 2.565 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c(F)c1 ZINC000523570827 516508263 /nfs/dbraw/zinc/50/82/63/516508263.db2.gz CPKAFNWHBDXQDE-WMZOPIPTSA-N -1 3 360.410 2.896 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000518000242 516518179 /nfs/dbraw/zinc/51/81/79/516518179.db2.gz RRVPZRDBVQVRMM-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM COc1ccccc1OCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000547790063 516565180 /nfs/dbraw/zinc/56/51/80/516565180.db2.gz RKXKRZFMCUFLKQ-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3cc(F)c(F)cc3F)CC2)c1 ZINC000551224782 516614251 /nfs/dbraw/zinc/61/42/51/516614251.db2.gz IBXXRQFHKYPWDT-UHFFFAOYSA-N -1 3 352.337 2.943 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000536120879 516639876 /nfs/dbraw/zinc/63/98/76/516639876.db2.gz GQQJWCRFROLVPU-DIFFPNOSSA-N -1 3 366.389 2.891 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(OCC(F)F)c3)nc1-2 ZINC000536241949 516693956 /nfs/dbraw/zinc/69/39/56/516693956.db2.gz ZMQSHPLXBKZWMT-LLVKDONJSA-N -1 3 357.320 2.795 20 30 FFEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3ccc(Br)o3)CC2)c1 ZINC000551575410 516769030 /nfs/dbraw/zinc/76/90/30/516769030.db2.gz HATGUIXDDDEYLC-UHFFFAOYSA-N -1 3 367.224 2.881 20 30 FFEDHM CSc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccn1 ZINC000536761550 516925433 /nfs/dbraw/zinc/92/54/33/516925433.db2.gz MLULWXCMCJEJTC-UHFFFAOYSA-N -1 3 353.856 2.807 20 30 FFEDHM N#C[C@@H]1N(C(=O)c2c[n-]c3ccccc3c2=O)CCC[C@@]12CCCCO2 ZINC000548386517 516949444 /nfs/dbraw/zinc/94/94/44/516949444.db2.gz ANOIHCJGQZSEHS-PXNSSMCTSA-N -1 3 351.406 2.596 20 30 FFEDHM COCC[C@H](Cc1ccco1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000541278602 516964617 /nfs/dbraw/zinc/96/46/17/516964617.db2.gz LHWUGKIHLPSHAM-OAHLLOKOSA-N -1 3 371.437 2.565 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532711407 517108349 /nfs/dbraw/zinc/10/83/49/517108349.db2.gz AULNYCZTIIWMCV-GJZGRUSLSA-N -1 3 350.484 2.838 20 30 FFEDHM CCc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)on1 ZINC000548766451 517200886 /nfs/dbraw/zinc/20/08/86/517200886.db2.gz ZSOXKAAAOOMLLJ-UHFFFAOYSA-N -1 3 359.329 2.606 20 30 FFEDHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000545370469 517202745 /nfs/dbraw/zinc/20/27/45/517202745.db2.gz YLBZGKFXQGXEAV-PBHICJAKSA-N -1 3 366.483 2.775 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2ccn(Cc3ccccc3)n2)CCCCC1 ZINC000556353882 517385999 /nfs/dbraw/zinc/38/59/99/517385999.db2.gz BTSGGKYJWUOZFN-UHFFFAOYSA-N -1 3 372.494 2.825 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)c(F)c1 ZINC000537866688 517386731 /nfs/dbraw/zinc/38/67/31/517386731.db2.gz DQKZHDDSNJMLBQ-QAPCUYQASA-N -1 3 360.410 2.753 20 30 FFEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000526940641 517398812 /nfs/dbraw/zinc/39/88/12/517398812.db2.gz SLXCQQWTSYYXMO-CQSZACIVSA-N -1 3 362.842 2.525 20 30 FFEDHM O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000527008876 517447977 /nfs/dbraw/zinc/44/79/77/517447977.db2.gz ZOBXANDWWWXNJA-UHFFFAOYSA-N -1 3 355.397 2.781 20 30 FFEDHM COc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c([O-])c1 ZINC000527114026 517508372 /nfs/dbraw/zinc/50/83/72/517508372.db2.gz WGLKPLNRWILSOE-UHFFFAOYSA-N -1 3 367.405 2.787 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)c(Cl)c1 ZINC000549524385 517600161 /nfs/dbraw/zinc/60/01/61/517600161.db2.gz LXBBIQLSGVWLMZ-AWEZNQCLSA-N -1 3 356.875 2.679 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000516178453 517603541 /nfs/dbraw/zinc/60/35/41/517603541.db2.gz YHLLRVUJHFSGIA-VHSXEESVSA-N -1 3 361.236 2.880 20 30 FFEDHM CCC[C@H](C#N)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000546934222 517926431 /nfs/dbraw/zinc/92/64/31/517926431.db2.gz SRWAAVICDCLTRE-GFCCVEGCSA-N -1 3 372.450 2.760 20 30 FFEDHM C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(C)C ZINC000563518871 517955294 /nfs/dbraw/zinc/95/52/94/517955294.db2.gz DPNYOJSASOOUMH-IAGOWNOFSA-N -1 3 351.491 2.581 20 30 FFEDHM CC1(C)CCC(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000534634952 517975650 /nfs/dbraw/zinc/97/56/50/517975650.db2.gz AIAPQKYOUVXOHB-UHFFFAOYSA-N -1 3 351.428 2.961 20 30 FFEDHM C=CCOc1cccnc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000539372979 518013659 /nfs/dbraw/zinc/01/36/59/518013659.db2.gz BXZUMHLGPRVCHV-UHFFFAOYSA-N -1 3 365.349 2.619 20 30 FFEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)Oc1ccccc1C#N ZINC000534974281 518104515 /nfs/dbraw/zinc/10/45/15/518104515.db2.gz QSLMEFLJIWHIMS-NSHDSACASA-N -1 3 357.366 2.691 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000575776459 518276880 /nfs/dbraw/zinc/27/68/80/518276880.db2.gz CSPLATJJRFMFSP-SFHVURJKSA-N -1 3 371.462 2.526 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCOCC2)s1 ZINC000584761393 518463754 /nfs/dbraw/zinc/46/37/54/518463754.db2.gz CZHDFAXLTMAJJS-UHFFFAOYSA-N -1 3 362.476 2.690 20 30 FFEDHM CCN(CCC[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000579165831 518549774 /nfs/dbraw/zinc/54/97/74/518549774.db2.gz BZMCFPCOFOBJFN-UHFFFAOYSA-N -1 3 361.442 2.892 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccccn1 ZINC000585708281 518569236 /nfs/dbraw/zinc/56/92/36/518569236.db2.gz PLOQQOHKINUGBA-SNVBAGLBSA-N -1 3 366.240 2.755 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1cccnc1 ZINC000585708266 518569440 /nfs/dbraw/zinc/56/94/40/518569440.db2.gz MUZGYHPEARGBLB-SNVBAGLBSA-N -1 3 366.240 2.755 20 30 FFEDHM N#Cc1ccccc1CSCCNC(=O)N=c1cc2ccccn2[n-]1 ZINC000588320203 518775690 /nfs/dbraw/zinc/77/56/90/518775690.db2.gz MWPRHGBKQHWYPL-UHFFFAOYSA-N -1 3 351.435 2.683 20 30 FFEDHM Cc1nc(C(C)C)oc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000590393786 519213907 /nfs/dbraw/zinc/21/39/07/519213907.db2.gz XLYNWCXMTNZQNV-UHFFFAOYSA-N -1 3 356.426 2.945 20 30 FFEDHM C=CCC1(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCCCC1 ZINC000577829661 519275876 /nfs/dbraw/zinc/27/58/76/519275876.db2.gz QRCNGZADGSNULO-IBGZPJMESA-N -1 3 355.438 2.750 20 30 FFEDHM CCOC(=O)c1c(NC(=O)N(C)c2cccc([O-])c2)c(C#N)cn1CC ZINC000566430491 519487874 /nfs/dbraw/zinc/48/78/74/519487874.db2.gz SZBYKOMMKKJQAT-UHFFFAOYSA-N -1 3 356.382 2.930 20 30 FFEDHM Cc1ccc([C@H](Cn2ccnc2)[N-]S(=O)(=O)c2ccc(C#N)o2)c(C)c1 ZINC000572349772 519569925 /nfs/dbraw/zinc/56/99/25/519569925.db2.gz BUQHCVGAMYBSGG-KRWDZBQOSA-N -1 3 370.434 2.684 20 30 FFEDHM Cc1cccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1[O-] ZINC000594667849 520075159 /nfs/dbraw/zinc/07/51/59/520075159.db2.gz JSQMFFMPVYQGJR-SFHVURJKSA-N -1 3 353.397 2.862 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@]1(C)CCO[C@@H]1C ZINC000594773345 520149736 /nfs/dbraw/zinc/14/97/36/520149736.db2.gz RBSQZAQOHJVHKA-BZNIZROVSA-N -1 3 350.465 2.927 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1C[C@H](C)n2ncnc21 ZINC000594810524 520168492 /nfs/dbraw/zinc/16/84/92/520168492.db2.gz UVRHDESCPVABFW-ZANVPECISA-N -1 3 373.463 2.657 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000594819417 520171921 /nfs/dbraw/zinc/17/19/21/520171921.db2.gz PVIOMYBOSLPFGR-GFCCVEGCSA-N -1 3 368.402 2.788 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(F)c1 ZINC000594869955 520200508 /nfs/dbraw/zinc/20/05/08/520200508.db2.gz WBDUSXPJWRPYIY-UHFFFAOYSA-N -1 3 353.419 2.536 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(NCc2ccc(C3(C#N)CC3)cc2)ccc1F ZINC000594943166 520224910 /nfs/dbraw/zinc/22/49/10/520224910.db2.gz ACOXHVVVTMQRFN-UHFFFAOYSA-N -1 3 359.426 2.901 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1)C(C)C ZINC000592382096 520359712 /nfs/dbraw/zinc/35/97/12/520359712.db2.gz HVJSIYCVINGBBT-KGLIPLIRSA-N -1 3 364.389 2.860 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1Br ZINC000609593189 520369454 /nfs/dbraw/zinc/36/94/54/520369454.db2.gz QYXGJEUYTMQRHE-CQSZACIVSA-N -1 3 356.183 2.715 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)cn1CC1CC1 ZINC000595309064 520400526 /nfs/dbraw/zinc/40/05/26/520400526.db2.gz KFGTZLWUCLWABW-CYBMUJFWSA-N -1 3 358.467 2.767 20 30 FFEDHM Cc1sc(NC(=O)CNC(C)(C)c2nc(C)cc(=O)[n-]2)c(C#N)c1C ZINC000595525446 520528850 /nfs/dbraw/zinc/52/88/50/520528850.db2.gz GLSGEYBVUNKTFT-UHFFFAOYSA-N -1 3 359.455 2.504 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)c(F)c1 ZINC000610082415 520532417 /nfs/dbraw/zinc/53/24/17/520532417.db2.gz VQAWLSHJVFTSCG-UHFFFAOYSA-N -1 3 366.389 2.974 20 30 FFEDHM Cc1nc([N-]C(=O)[C@H](C)Oc2ccc(C)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000610109900 520543807 /nfs/dbraw/zinc/54/38/07/520543807.db2.gz IDPKRSOUXFBFFT-AWEZNQCLSA-N -1 3 361.405 2.584 20 30 FFEDHM C[C@]1(C#N)CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000598410345 520603104 /nfs/dbraw/zinc/60/31/04/520603104.db2.gz UEBBLAQQDALVCQ-MRXNPFEDSA-N -1 3 360.211 2.666 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000610339011 520641970 /nfs/dbraw/zinc/64/19/70/520641970.db2.gz HDFAIVJIJJKRSA-NSHDSACASA-N -1 3 361.398 2.695 20 30 FFEDHM N#Cc1cccc(C2(NCc3cc(=O)[n-]c(C4CC4)n3)CCOCC2)c1 ZINC000595768586 520711680 /nfs/dbraw/zinc/71/16/80/520711680.db2.gz IKQZNEJEYXBTKM-UHFFFAOYSA-N -1 3 350.422 2.727 20 30 FFEDHM COc1ccc(-c2nc([N-]C(=O)c3cc(C#N)cs3)n[nH]2)cc1OC ZINC000610628170 520770966 /nfs/dbraw/zinc/77/09/66/520770966.db2.gz QKUWBGCBDWRTHV-UHFFFAOYSA-N -1 3 355.379 2.674 20 30 FFEDHM COc1cc(CN(C)C)ccc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000601622872 520870712 /nfs/dbraw/zinc/87/07/12/520870712.db2.gz XLAATPQYTXVOAR-UHFFFAOYSA-N -1 3 372.450 2.703 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(O)ccc2C1 ZINC000618180208 520920858 /nfs/dbraw/zinc/92/08/58/520920858.db2.gz QRCMHQAPQVGJAH-OAHLLOKOSA-N -1 3 362.838 2.753 20 30 FFEDHM CC(C)(C)OC(=O)C(C)(C)n1cc([N-]c2ncc([N+](=O)[O-])cc2C#N)cn1 ZINC000596446218 521073655 /nfs/dbraw/zinc/07/36/55/521073655.db2.gz LLEADKTXVWWKLN-UHFFFAOYSA-N -1 3 372.385 2.878 20 30 FFEDHM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000593591426 521096177 /nfs/dbraw/zinc/09/61/77/521096177.db2.gz ICJMTVGZYKHNJF-GFCCVEGCSA-N -1 3 352.412 2.733 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c(Cl)c1 ZINC000593630912 521119432 /nfs/dbraw/zinc/11/94/32/521119432.db2.gz BLLIWWRVZCDDRM-MRXNPFEDSA-N -1 3 354.859 2.695 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]CC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000599346636 521166403 /nfs/dbraw/zinc/16/64/03/521166403.db2.gz MZHFLMFEKRADGE-INIZCTEOSA-N -1 3 354.447 2.907 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000611619602 521251748 /nfs/dbraw/zinc/25/17/48/521251748.db2.gz ZXKSRZKHQKZXFK-UHFFFAOYSA-N -1 3 352.437 2.516 20 30 FFEDHM C=CCC1(NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)CCCC1 ZINC000619105781 521401132 /nfs/dbraw/zinc/40/11/32/521401132.db2.gz IVFFVDZHJDVVDU-UHFFFAOYSA-N -1 3 372.437 2.638 20 30 FFEDHM CC(C)[C@H](C#N)N1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000619433307 521564600 /nfs/dbraw/zinc/56/46/00/521564600.db2.gz KLTKOGYIDYLEGX-HNNXBMFYSA-N -1 3 355.360 2.717 20 30 FFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccnn1C ZINC000615947081 521584810 /nfs/dbraw/zinc/58/48/10/521584810.db2.gz NHENRRKLVXYWEA-ZDUSSCGKSA-N -1 3 366.874 2.663 20 30 FFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCC1 ZINC000619547589 521764633 /nfs/dbraw/zinc/76/46/33/521764633.db2.gz MBYNCQUUQDUGPB-UHFFFAOYSA-N -1 3 356.469 2.553 20 30 FFEDHM C=C(C)Cn1c([C@@H](C)CC)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634373006 523378801 /nfs/dbraw/zinc/37/88/01/523378801.db2.gz JWHXENVDAJHMNA-HNNXBMFYSA-N -1 3 357.506 2.996 20 30 FFEDHM Cn1c(-c2cccc(C#N)c2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000601852721 553481110 /nfs/dbraw/zinc/48/11/10/553481110.db2.gz BAUBJRKZHLWOMM-UHFFFAOYSA-N -1 3 362.441 2.561 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNc2nnc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000736309808 598871459 /nfs/dbraw/zinc/87/14/59/598871459.db2.gz RRTWPIOXBNDWKT-CQSZACIVSA-N -1 3 364.413 2.567 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNc2nnc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000736309808 598871460 /nfs/dbraw/zinc/87/14/60/598871460.db2.gz RRTWPIOXBNDWKT-CQSZACIVSA-N -1 3 364.413 2.567 20 30 FFEDHM Cc1cc(C)cc(OCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737256201 598918608 /nfs/dbraw/zinc/91/86/08/598918608.db2.gz LNPLBCRQMKQCDZ-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1cc(C)cc(OCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737256201 598918609 /nfs/dbraw/zinc/91/86/09/598918609.db2.gz LNPLBCRQMKQCDZ-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(F)F)cc1 ZINC000819772553 607253537 /nfs/dbraw/zinc/25/35/37/607253537.db2.gz GIVMUWWFJVHNGP-UHFFFAOYSA-N -1 3 358.352 2.982 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)F)cc1 ZINC000819772553 607253538 /nfs/dbraw/zinc/25/35/38/607253538.db2.gz GIVMUWWFJVHNGP-UHFFFAOYSA-N -1 3 358.352 2.982 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000736182277 598969823 /nfs/dbraw/zinc/96/98/23/598969823.db2.gz CSZFNDCFLZNEKL-YJYMSZOUSA-N -1 3 368.441 2.613 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000736182277 598969824 /nfs/dbraw/zinc/96/98/24/598969824.db2.gz CSZFNDCFLZNEKL-YJYMSZOUSA-N -1 3 368.441 2.613 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000736170887 598970041 /nfs/dbraw/zinc/97/00/41/598970041.db2.gz SITNWTYPPAUKCI-ORAYPTAESA-N -1 3 368.441 2.613 20 30 FFEDHM C[C@H](Sc1ccccc1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736190305 599109042 /nfs/dbraw/zinc/10/90/42/599109042.db2.gz CRUYUNLAHXIBEZ-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1ccccc1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736190305 599109044 /nfs/dbraw/zinc/10/90/44/599109044.db2.gz CRUYUNLAHXIBEZ-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc(NC(C)=O)c2)cc1-c1nnn[n-]1 ZINC000737082528 599150784 /nfs/dbraw/zinc/15/07/84/599150784.db2.gz WSHXLXSTRMFSRG-SOFGYWHQSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc(NC(C)=O)c2)cc1-c1nn[n-]n1 ZINC000737082528 599150786 /nfs/dbraw/zinc/15/07/86/599150786.db2.gz WSHXLXSTRMFSRG-SOFGYWHQSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C=CC(=O)c2cnn(-c3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000737081284 599154904 /nfs/dbraw/zinc/15/49/04/599154904.db2.gz MNRSHFVYMBBYNL-CLFYSBASSA-N -1 3 372.388 2.957 20 30 FFEDHM COc1ccc(C=CC(=O)c2cnn(-c3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000737081284 599154905 /nfs/dbraw/zinc/15/49/05/599154905.db2.gz MNRSHFVYMBBYNL-CLFYSBASSA-N -1 3 372.388 2.957 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccnc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202512 599157849 /nfs/dbraw/zinc/15/78/49/599157849.db2.gz NCQQSZWPERJQRU-RUDMXATFSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1n[nH]c(C)c1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737454074 599158139 /nfs/dbraw/zinc/15/81/39/599158139.db2.gz XDPSOLOIVHKUBZ-HJWRWDBZSA-N -1 3 374.408 2.597 20 30 FFEDHM N#Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737716369 599172264 /nfs/dbraw/zinc/17/22/64/599172264.db2.gz QCHRMAWBFCKROH-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737716369 599172265 /nfs/dbraw/zinc/17/22/65/599172265.db2.gz QCHRMAWBFCKROH-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM C#CCCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819693358 599191924 /nfs/dbraw/zinc/19/19/24/599191924.db2.gz QVPDPPGNTZWGIG-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM C#CCCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819693358 599191926 /nfs/dbraw/zinc/19/19/26/599191926.db2.gz QVPDPPGNTZWGIG-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM CCCn1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000736501549 599192549 /nfs/dbraw/zinc/19/25/49/599192549.db2.gz DYTPERCIUZXBST-UHFFFAOYSA-N -1 3 364.335 2.938 20 30 FFEDHM CCCn1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000736501549 599192552 /nfs/dbraw/zinc/19/25/52/599192552.db2.gz DYTPERCIUZXBST-UHFFFAOYSA-N -1 3 364.335 2.938 20 30 FFEDHM N#Cc1cnc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(Cl)c1 ZINC000822842491 607263156 /nfs/dbraw/zinc/26/31/56/607263156.db2.gz KUNPIEOYRUESGF-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cnc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(Cl)c1 ZINC000822842491 607263157 /nfs/dbraw/zinc/26/31/57/607263157.db2.gz KUNPIEOYRUESGF-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736336731 598239300 /nfs/dbraw/zinc/23/93/00/598239300.db2.gz HANYVQQJDLYVFD-AWEZNQCLSA-N -1 3 370.457 2.812 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cn3)c2-c2nnn[n-]2)C1 ZINC000736280188 598436582 /nfs/dbraw/zinc/43/65/82/598436582.db2.gz OAFAVBHKMNGVBX-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cn3)c2-c2nn[n-]n2)C1 ZINC000736280188 598436583 /nfs/dbraw/zinc/43/65/83/598436583.db2.gz OAFAVBHKMNGVBX-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccccc1C#N ZINC000735654229 598486027 /nfs/dbraw/zinc/48/60/27/598486027.db2.gz BWGBKTWNXXONFG-HJWRWDBZSA-N -1 3 361.409 2.947 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccccc1C#N ZINC000735654229 598486030 /nfs/dbraw/zinc/48/60/30/598486030.db2.gz BWGBKTWNXXONFG-HJWRWDBZSA-N -1 3 361.409 2.947 20 30 FFEDHM CON=Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737023317 598488204 /nfs/dbraw/zinc/48/82/04/598488204.db2.gz KAGYCPRLKVMENI-LBPRGKRZSA-N -1 3 351.366 2.765 20 30 FFEDHM CON=Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737023317 598488206 /nfs/dbraw/zinc/48/82/06/598488206.db2.gz KAGYCPRLKVMENI-LBPRGKRZSA-N -1 3 351.366 2.765 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1OCC#N ZINC000735661170 598488253 /nfs/dbraw/zinc/48/82/53/598488253.db2.gz KJABQOZXIYPEAI-UHFFFAOYSA-N -1 3 365.397 2.578 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1OCC#N ZINC000735661170 598488255 /nfs/dbraw/zinc/48/82/55/598488255.db2.gz KJABQOZXIYPEAI-UHFFFAOYSA-N -1 3 365.397 2.578 20 30 FFEDHM c1cnc(N=NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000735400463 598545744 /nfs/dbraw/zinc/54/57/44/598545744.db2.gz PSCAADBCJAOJCO-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM c1cnc(N=NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000735400463 598545746 /nfs/dbraw/zinc/54/57/46/598545746.db2.gz PSCAADBCJAOJCO-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737716230 598644843 /nfs/dbraw/zinc/64/48/43/598644843.db2.gz NBTSSPXCIIXBPX-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737716230 598644845 /nfs/dbraw/zinc/64/48/45/598644845.db2.gz NBTSSPXCIIXBPX-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391356 598659563 /nfs/dbraw/zinc/65/95/63/598659563.db2.gz QQNMJQOQFIHNBN-CQSZACIVSA-N -1 3 361.405 2.668 20 30 FFEDHM N#Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737710175 598660746 /nfs/dbraw/zinc/66/07/46/598660746.db2.gz UXNORMWOMWVOAA-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737710175 598660748 /nfs/dbraw/zinc/66/07/48/598660748.db2.gz UXNORMWOMWVOAA-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM C=CC1CCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000735403053 598666069 /nfs/dbraw/zinc/66/60/69/598666069.db2.gz OGSVKWOXSYONDV-UHFFFAOYSA-N -1 3 372.498 2.704 20 30 FFEDHM C=CC1CCN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000735403053 598666070 /nfs/dbraw/zinc/66/60/70/598666070.db2.gz OGSVKWOXSYONDV-UHFFFAOYSA-N -1 3 372.498 2.704 20 30 FFEDHM C=CCOc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735435956 598677703 /nfs/dbraw/zinc/67/77/03/598677703.db2.gz CBAIMFHGDDAWFC-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM C=CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735435956 598677705 /nfs/dbraw/zinc/67/77/05/598677705.db2.gz CBAIMFHGDDAWFC-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM N#Cc1ccc(OCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737721342 598722999 /nfs/dbraw/zinc/72/29/99/598722999.db2.gz JEPZBOOJCPPXBY-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM N#Cc1ccc(OCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737721342 598723000 /nfs/dbraw/zinc/72/30/00/598723000.db2.gz JEPZBOOJCPPXBY-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000735437557 598816948 /nfs/dbraw/zinc/81/69/48/598816948.db2.gz MFYFKBKZVLCLAN-UHFFFAOYSA-N -1 3 366.381 2.504 20 30 FFEDHM C#CCOc1cc(F)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735380998 599329181 /nfs/dbraw/zinc/32/91/81/599329181.db2.gz QOXOHSTTZOJREC-UHFFFAOYSA-N -1 3 353.357 2.509 20 30 FFEDHM C=C(Cl)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735402620 599390174 /nfs/dbraw/zinc/39/01/74/599390174.db2.gz ZLYWCDVZKQFWQF-UHFFFAOYSA-N -1 3 356.817 2.757 20 30 FFEDHM CCOc1cccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000736651621 599462742 /nfs/dbraw/zinc/46/27/42/599462742.db2.gz QHPMNVBXRIMBRA-FPLPWBNLSA-N -1 3 360.377 2.809 20 30 FFEDHM CCOc1cccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000736651621 599462744 /nfs/dbraw/zinc/46/27/44/599462744.db2.gz QHPMNVBXRIMBRA-FPLPWBNLSA-N -1 3 360.377 2.809 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c[nH]c2ccccc12 ZINC000737808434 599463999 /nfs/dbraw/zinc/46/39/99/599463999.db2.gz SZFBOVDFGKPEPL-VOTSOKGWSA-N -1 3 355.361 2.892 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c[nH]c2ccccc12 ZINC000737808434 599464002 /nfs/dbraw/zinc/46/40/02/599464002.db2.gz SZFBOVDFGKPEPL-VOTSOKGWSA-N -1 3 355.361 2.892 20 30 FFEDHM Cn1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c2ccccc21 ZINC000737601812 599464216 /nfs/dbraw/zinc/46/42/16/599464216.db2.gz FHHFPDBSKOUPSC-BQYQJAHWSA-N -1 3 369.388 2.902 20 30 FFEDHM Cn1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c2ccccc21 ZINC000737601812 599464217 /nfs/dbraw/zinc/46/42/17/599464217.db2.gz FHHFPDBSKOUPSC-BQYQJAHWSA-N -1 3 369.388 2.902 20 30 FFEDHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820341601 599475686 /nfs/dbraw/zinc/47/56/86/599475686.db2.gz QNUDCAGKZKFTEF-CYBMUJFWSA-N -1 3 361.409 2.641 20 30 FFEDHM C[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820341601 599475687 /nfs/dbraw/zinc/47/56/87/599475687.db2.gz QNUDCAGKZKFTEF-CYBMUJFWSA-N -1 3 361.409 2.641 20 30 FFEDHM C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334996 599535729 /nfs/dbraw/zinc/53/57/29/599535729.db2.gz SIGKTAMBOJIREL-LBPRGKRZSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334996 599535731 /nfs/dbraw/zinc/53/57/31/599535731.db2.gz SIGKTAMBOJIREL-LBPRGKRZSA-N -1 3 364.434 2.708 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CC(C)(C)OC ZINC000819743172 599676872 /nfs/dbraw/zinc/67/68/72/599676872.db2.gz DNPWYRMXLUNLJF-CQSZACIVSA-N -1 3 372.473 2.768 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)CC(C)(C)OC ZINC000819743172 599676873 /nfs/dbraw/zinc/67/68/73/599676873.db2.gz DNPWYRMXLUNLJF-CQSZACIVSA-N -1 3 372.473 2.768 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819745623 599678642 /nfs/dbraw/zinc/67/86/42/599678642.db2.gz MOUSMIKODJZXJP-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819745623 599678643 /nfs/dbraw/zinc/67/86/43/599678643.db2.gz MOUSMIKODJZXJP-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM CN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000825820629 607440428 /nfs/dbraw/zinc/44/04/28/607440428.db2.gz NBXQMPYKRXLKPY-UHFFFAOYSA-N -1 3 364.434 2.635 20 30 FFEDHM CN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000825820629 607440429 /nfs/dbraw/zinc/44/04/29/607440429.db2.gz NBXQMPYKRXLKPY-UHFFFAOYSA-N -1 3 364.434 2.635 20 30 FFEDHM COc1ccc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738023765 600561263 /nfs/dbraw/zinc/56/12/63/600561263.db2.gz UAVPBCLERRBMFQ-LJQANCHMSA-N -1 3 351.406 2.515 20 30 FFEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(Br)cn1 ZINC000822741534 607465544 /nfs/dbraw/zinc/46/55/44/607465544.db2.gz YKPCPLMQHQDOEC-UHFFFAOYSA-N -1 3 362.166 2.609 20 30 FFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(Br)cn1 ZINC000822741534 607465546 /nfs/dbraw/zinc/46/55/46/607465546.db2.gz YKPCPLMQHQDOEC-UHFFFAOYSA-N -1 3 362.166 2.609 20 30 FFEDHM Cc1csc(=Nc2ccccn2)n1N=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826320133 607634333 /nfs/dbraw/zinc/63/43/33/607634333.db2.gz HYTGYGPLERFWIV-UHFFFAOYSA-N -1 3 362.422 2.548 20 30 FFEDHM Cc1csc(=Nc2ccccn2)n1N=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826320133 607634335 /nfs/dbraw/zinc/63/43/35/607634335.db2.gz HYTGYGPLERFWIV-UHFFFAOYSA-N -1 3 362.422 2.548 20 30 FFEDHM C=CCOc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000823932419 607653695 /nfs/dbraw/zinc/65/36/95/607653695.db2.gz XPBIMNMGXUOZRP-UHFFFAOYSA-N -1 3 372.406 2.508 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000827460611 604221000 /nfs/dbraw/zinc/22/10/00/604221000.db2.gz WRNIORGDILXJTN-BFHYXJOUSA-N -1 3 373.409 2.559 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000827460612 604221005 /nfs/dbraw/zinc/22/10/05/604221005.db2.gz WRNIORGDILXJTN-HZSPNIEDSA-N -1 3 373.409 2.559 20 30 FFEDHM CC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC12CCCCC2 ZINC000833391209 605142357 /nfs/dbraw/zinc/14/23/57/605142357.db2.gz OTKZVEGYCFXAMQ-SFHVURJKSA-N -1 3 355.438 2.551 20 30 FFEDHM N#CC(C(=O)C[C@@H]1CSCCN1C(=O)[O-])c1ccc2ccccc2n1 ZINC000831065156 605347236 /nfs/dbraw/zinc/34/72/36/605347236.db2.gz PLSATZLRQSRCJJ-ZIAGYGMSSA-N -1 3 355.419 2.897 20 30 FFEDHM N#Cc1cnc2c(F)ccc(F)c2c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822842784 606222152 /nfs/dbraw/zinc/22/21/52/606222152.db2.gz YQYVPPGBUWEGBC-UHFFFAOYSA-N -1 3 363.331 2.599 20 30 FFEDHM N#Cc1cnc2c(F)ccc(F)c2c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822842784 606222153 /nfs/dbraw/zinc/22/21/53/606222153.db2.gz YQYVPPGBUWEGBC-UHFFFAOYSA-N -1 3 363.331 2.599 20 30 FFEDHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820937787 606337352 /nfs/dbraw/zinc/33/73/52/606337352.db2.gz CZDCRROCPCSWMX-OAHLLOKOSA-N -1 3 366.356 2.674 20 30 FFEDHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820937787 606337354 /nfs/dbraw/zinc/33/73/54/606337354.db2.gz CZDCRROCPCSWMX-OAHLLOKOSA-N -1 3 366.356 2.674 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820549206 606352934 /nfs/dbraw/zinc/35/29/34/606352934.db2.gz LAUSHFHCQKMVQQ-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820549206 606352935 /nfs/dbraw/zinc/35/29/35/606352935.db2.gz LAUSHFHCQKMVQQ-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM N#C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000822800942 606363346 /nfs/dbraw/zinc/36/33/46/606363346.db2.gz BFQKUTWFUPXAOV-INIZCTEOSA-N -1 3 370.482 2.689 20 30 FFEDHM N#C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000822800942 606363348 /nfs/dbraw/zinc/36/33/48/606363348.db2.gz BFQKUTWFUPXAOV-INIZCTEOSA-N -1 3 370.482 2.689 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C#N)cs1 ZINC000821699361 606482771 /nfs/dbraw/zinc/48/27/71/606482771.db2.gz NNFCLTXMJANCSE-UHFFFAOYSA-N -1 3 361.770 2.681 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C#N)cs1 ZINC000821699361 606482772 /nfs/dbraw/zinc/48/27/72/606482772.db2.gz NNFCLTXMJANCSE-UHFFFAOYSA-N -1 3 361.770 2.681 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820121981 606491947 /nfs/dbraw/zinc/49/19/47/606491947.db2.gz WSFNRDVHFFODQJ-UHFFFAOYSA-N -1 3 352.423 2.851 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820121981 606491948 /nfs/dbraw/zinc/49/19/48/606491948.db2.gz WSFNRDVHFFODQJ-UHFFFAOYSA-N -1 3 352.423 2.851 20 30 FFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)s1 ZINC000821123705 606598488 /nfs/dbraw/zinc/59/84/88/606598488.db2.gz WFEYWYSEIGEVLO-UHFFFAOYSA-N -1 3 353.411 2.874 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(CN=Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819933636 606623106 /nfs/dbraw/zinc/62/31/06/606623106.db2.gz XWHPHCFGWJIWRD-UHFFFAOYSA-N -1 3 371.445 2.912 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(CN=Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819933636 606623107 /nfs/dbraw/zinc/62/31/07/606623107.db2.gz XWHPHCFGWJIWRD-UHFFFAOYSA-N -1 3 371.445 2.912 20 30 FFEDHM N#Cc1cc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000822819134 606665561 /nfs/dbraw/zinc/66/55/61/606665561.db2.gz LRUHRXQOVPMULR-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1cc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000822819134 606665562 /nfs/dbraw/zinc/66/55/62/606665562.db2.gz LRUHRXQOVPMULR-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM CCOc1ccc(C#N)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821417299 606674247 /nfs/dbraw/zinc/67/42/47/606674247.db2.gz KRRFJKJKSIAYSI-UHFFFAOYSA-N -1 3 370.319 2.668 20 30 FFEDHM CCOc1ccc(C#N)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821417299 606674248 /nfs/dbraw/zinc/67/42/48/606674248.db2.gz KRRFJKJKSIAYSI-UHFFFAOYSA-N -1 3 370.319 2.668 20 30 FFEDHM Cn1cc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000822679519 606681011 /nfs/dbraw/zinc/68/10/11/606681011.db2.gz FIBUJSJCHXHDCZ-UHFFFAOYSA-N -1 3 371.404 2.801 20 30 FFEDHM Cn1cc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000822679519 606681012 /nfs/dbraw/zinc/68/10/12/606681012.db2.gz FIBUJSJCHXHDCZ-UHFFFAOYSA-N -1 3 371.404 2.801 20 30 FFEDHM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820518755 606732520 /nfs/dbraw/zinc/73/25/20/606732520.db2.gz KHBQBXVXSOQKLL-LBPRGKRZSA-N -1 3 354.414 2.805 20 30 FFEDHM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820518755 606732522 /nfs/dbraw/zinc/73/25/22/606732522.db2.gz KHBQBXVXSOQKLL-LBPRGKRZSA-N -1 3 354.414 2.805 20 30 FFEDHM CCN(CC#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821165880 606787482 /nfs/dbraw/zinc/78/74/82/606787482.db2.gz YCVYFZVKEVZXAD-UHFFFAOYSA-N -1 3 362.393 2.953 20 30 FFEDHM CCN(CC#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821165880 606787485 /nfs/dbraw/zinc/78/74/85/606787485.db2.gz YCVYFZVKEVZXAD-UHFFFAOYSA-N -1 3 362.393 2.953 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822818546 606920095 /nfs/dbraw/zinc/92/00/95/606920095.db2.gz CGXYNIXDZMBRPB-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822818546 606920096 /nfs/dbraw/zinc/92/00/96/606920096.db2.gz CGXYNIXDZMBRPB-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM CN(C(=O)c1c(F)cc(C#N)cc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821572007 606964979 /nfs/dbraw/zinc/96/49/79/606964979.db2.gz OHXJKKXJKAKONJ-UHFFFAOYSA-N -1 3 374.738 2.947 20 30 FFEDHM CN(C(=O)c1c(F)cc(C#N)cc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821572007 606964981 /nfs/dbraw/zinc/96/49/81/606964981.db2.gz OHXJKKXJKAKONJ-UHFFFAOYSA-N -1 3 374.738 2.947 20 30 FFEDHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C#N ZINC000824712946 607806079 /nfs/dbraw/zinc/80/60/79/607806079.db2.gz FOGGFCNEOJJAOO-CYBMUJFWSA-N -1 3 357.414 2.897 20 30 FFEDHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C#N ZINC000824712946 607806080 /nfs/dbraw/zinc/80/60/80/607806080.db2.gz FOGGFCNEOJJAOO-CYBMUJFWSA-N -1 3 357.414 2.897 20 30 FFEDHM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)c1ccc(C#N)cc1F ZINC000825998731 607848231 /nfs/dbraw/zinc/84/82/31/607848231.db2.gz AQFCPXFMERLXTF-UHFFFAOYSA-N -1 3 374.383 2.835 20 30 FFEDHM CN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)c1ccc(C#N)cc1F ZINC000825998731 607848232 /nfs/dbraw/zinc/84/82/32/607848232.db2.gz AQFCPXFMERLXTF-UHFFFAOYSA-N -1 3 374.383 2.835 20 30 FFEDHM C#CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837284 607939368 /nfs/dbraw/zinc/93/93/68/607939368.db2.gz AFAUNNWKMLMRIX-RDTXWAMCSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837284 607939369 /nfs/dbraw/zinc/93/93/69/607939369.db2.gz AFAUNNWKMLMRIX-RDTXWAMCSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838292 607939819 /nfs/dbraw/zinc/93/98/19/607939819.db2.gz NXFWUIPTHHYQJY-KBXCAEBGSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838292 607939820 /nfs/dbraw/zinc/93/98/20/607939820.db2.gz NXFWUIPTHHYQJY-KBXCAEBGSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823838328 607956303 /nfs/dbraw/zinc/95/63/03/607956303.db2.gz OFVDECHMOJZDNL-RHSMWYFYSA-N -1 3 361.405 2.515 20 30 FFEDHM C#CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823838328 607956304 /nfs/dbraw/zinc/95/63/04/607956304.db2.gz OFVDECHMOJZDNL-RHSMWYFYSA-N -1 3 361.405 2.515 20 30 FFEDHM COc1ccc(COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1C#N ZINC000826206689 607972174 /nfs/dbraw/zinc/97/21/74/607972174.db2.gz HFEHVOYPOKOOFV-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM COc1ccc(COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1C#N ZINC000826206689 607972175 /nfs/dbraw/zinc/97/21/75/607972175.db2.gz HFEHVOYPOKOOFV-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824108672 608289171 /nfs/dbraw/zinc/28/91/71/608289171.db2.gz IHJXBTRCROWDFY-CYBMUJFWSA-N -1 3 357.418 2.712 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824108672 608289172 /nfs/dbraw/zinc/28/91/72/608289172.db2.gz IHJXBTRCROWDFY-CYBMUJFWSA-N -1 3 357.418 2.712 20 30 FFEDHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(C#N)cc1 ZINC000824634263 608459514 /nfs/dbraw/zinc/45/95/14/608459514.db2.gz UUDMXINNVYNXJP-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(C#N)cc1 ZINC000824634263 608459515 /nfs/dbraw/zinc/45/95/15/608459515.db2.gz UUDMXINNVYNXJP-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634696 608461374 /nfs/dbraw/zinc/46/13/74/608461374.db2.gz XHLDWWSBUWIHQL-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634696 608461375 /nfs/dbraw/zinc/46/13/75/608461375.db2.gz XHLDWWSBUWIHQL-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM N#Cc1cccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826386601 608478982 /nfs/dbraw/zinc/47/89/82/608478982.db2.gz LNMVAJCXTPWJHT-UHFFFAOYSA-N -1 3 356.389 2.668 20 30 FFEDHM N#Cc1cccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826386601 608478984 /nfs/dbraw/zinc/47/89/84/608478984.db2.gz LNMVAJCXTPWJHT-UHFFFAOYSA-N -1 3 356.389 2.668 20 30 FFEDHM N#CCc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826381887 608483645 /nfs/dbraw/zinc/48/36/45/608483645.db2.gz DCTDDJBZYWAGHM-UHFFFAOYSA-N -1 3 370.416 2.862 20 30 FFEDHM N#CCc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826381887 608483647 /nfs/dbraw/zinc/48/36/47/608483647.db2.gz DCTDDJBZYWAGHM-UHFFFAOYSA-N -1 3 370.416 2.862 20 30 FFEDHM Fc1cc2c(c(F)c1)CCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826373095 608534952 /nfs/dbraw/zinc/53/49/52/608534952.db2.gz ZBFUIUSJUTVLBW-UHFFFAOYSA-N -1 3 361.743 2.956 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc(N3CCCCC3)o2)n1 ZINC000826350293 608537434 /nfs/dbraw/zinc/53/74/34/608537434.db2.gz PLVUBLWUYMRZGP-UHFFFAOYSA-N -1 3 372.820 2.944 20 30 FFEDHM C=CCOCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823926058 609177976 /nfs/dbraw/zinc/17/79/76/609177976.db2.gz XMDGTVOQOVPGTE-UHFFFAOYSA-N -1 3 364.409 2.543 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3F)cc2)CC1 ZINC000826380590 609246683 /nfs/dbraw/zinc/24/66/83/609246683.db2.gz GOELRQBPSNYRJN-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3F)cc2)CC1 ZINC000826380590 609246684 /nfs/dbraw/zinc/24/66/84/609246684.db2.gz GOELRQBPSNYRJN-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000826360688 609304788 /nfs/dbraw/zinc/30/47/88/609304788.db2.gz UJEJMXHMRGLWDO-UHFFFAOYSA-N -1 3 369.392 2.585 20 30 FFEDHM O=C(C=Cc1cccc(Br)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826400993 609310307 /nfs/dbraw/zinc/31/03/07/609310307.db2.gz MSVCKZZALWUMDI-FPLPWBNLSA-N -1 3 356.183 2.920 20 30 FFEDHM O=C(C=Cc1cccc(Br)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826400993 609310309 /nfs/dbraw/zinc/31/03/09/609310309.db2.gz MSVCKZZALWUMDI-FPLPWBNLSA-N -1 3 356.183 2.920 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)cc(Cl)n2)ccc1-c1nnn[n-]1 ZINC000826384498 609384992 /nfs/dbraw/zinc/38/49/92/609384992.db2.gz XWAOFTYVBWEEID-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)cc(Cl)n2)ccc1-c1nn[n-]n1 ZINC000826384498 609384994 /nfs/dbraw/zinc/38/49/94/609384994.db2.gz XWAOFTYVBWEEID-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM Cn1cc(CNc2ccc(C#N)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361527 609444336 /nfs/dbraw/zinc/44/43/36/609444336.db2.gz AZPCTWVLNCUULO-UHFFFAOYSA-N -1 3 356.393 2.751 20 30 FFEDHM Cn1cc(CNc2ccc(C#N)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361527 609444339 /nfs/dbraw/zinc/44/43/39/609444339.db2.gz AZPCTWVLNCUULO-UHFFFAOYSA-N -1 3 356.393 2.751 20 30 FFEDHM COc1ccc(NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826210067 609448862 /nfs/dbraw/zinc/44/88/62/609448862.db2.gz CKZDKKQVGCHDGB-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM COc1ccc(NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826210067 609448865 /nfs/dbraw/zinc/44/88/65/609448865.db2.gz CKZDKKQVGCHDGB-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM CCc1nn(C)c(CC)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825754907 609473519 /nfs/dbraw/zinc/47/35/19/609473519.db2.gz JECAKGCQQUCHHJ-UHFFFAOYSA-N -1 3 358.837 2.824 20 30 FFEDHM CCc1nn(C)c(CC)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825754907 609473520 /nfs/dbraw/zinc/47/35/20/609473520.db2.gz JECAKGCQQUCHHJ-UHFFFAOYSA-N -1 3 358.837 2.824 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000825553495 609488600 /nfs/dbraw/zinc/48/86/00/609488600.db2.gz RMMVIUZIPIWFFI-UHFFFAOYSA-N -1 3 363.381 2.919 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000825553495 609488602 /nfs/dbraw/zinc/48/86/02/609488602.db2.gz RMMVIUZIPIWFFI-UHFFFAOYSA-N -1 3 363.381 2.919 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)[C@@H](C)C(F)(F)F)C1=O ZINC000743288211 735287937 /nfs/dbraw/zinc/28/79/37/735287937.db2.gz MGCLYSMZILIUFA-QMTHXVAHSA-N -1 3 351.369 2.887 20 30 FFEDHM O=[N+]([O-])c1ccc(Cl)c(C=N[N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000743448342 735298254 /nfs/dbraw/zinc/29/82/54/735298254.db2.gz KSXMLRTWMHTTBO-UHFFFAOYSA-N -1 3 367.814 2.744 20 30 FFEDHM C[C@@H](CC(=O)OCCC1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744094259 735331509 /nfs/dbraw/zinc/33/15/09/735331509.db2.gz WHDXVAFMKFMTIG-ZDUSSCGKSA-N -1 3 364.467 2.627 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H]2CC)ccc1F ZINC000744767328 735376941 /nfs/dbraw/zinc/37/69/41/735376941.db2.gz YZLPBKMRFFGKLT-TZMCWYRMSA-N -1 3 354.447 2.551 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1F ZINC000029052426 727890443 /nfs/dbraw/zinc/89/04/43/727890443.db2.gz RJCOTEBJTYSCOV-UHFFFAOYSA-N -1 3 370.352 2.821 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC2CCCC2)ccc1F ZINC000045361680 728001380 /nfs/dbraw/zinc/00/13/80/728001380.db2.gz MESLOLKHFJBZOP-UHFFFAOYSA-N -1 3 354.447 2.600 20 30 FFEDHM CSc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000746492391 735488121 /nfs/dbraw/zinc/48/81/21/735488121.db2.gz RSNTZBBGMWVEDM-UHFFFAOYSA-N -1 3 365.436 2.770 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@H]2CCC)ccc1F ZINC000118649591 728583852 /nfs/dbraw/zinc/58/38/52/728583852.db2.gz BJIBVLKZGABYFS-HNNXBMFYSA-N -1 3 372.487 2.605 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000134461132 728730353 /nfs/dbraw/zinc/73/03/53/728730353.db2.gz OHKYYZQQXAFEJV-UHFFFAOYSA-N -1 3 358.419 2.766 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)ccc1F ZINC000174332578 729069167 /nfs/dbraw/zinc/06/91/67/729069167.db2.gz IDZQDVLNNLLINP-BBRMVZONSA-N -1 3 366.458 2.695 20 30 FFEDHM C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000185356348 729347541 /nfs/dbraw/zinc/34/75/41/729347541.db2.gz KKEXFFOBMCWYAW-ZDUSSCGKSA-N -1 3 360.410 2.686 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640297263 730140527 /nfs/dbraw/zinc/14/05/27/730140527.db2.gz BJLIDEFRLVQHRD-GXSJLCMTSA-N -1 3 366.771 2.623 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000862397655 730697032 /nfs/dbraw/zinc/69/70/32/730697032.db2.gz VLWOYFLXEGLZCE-UHFFFAOYSA-N -1 3 356.463 2.845 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000657036551 731709125 /nfs/dbraw/zinc/70/91/25/731709125.db2.gz JOXQAFWMTOBKOQ-ZYHUDNBSSA-N -1 3 354.403 2.673 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]CC(=O)CC2CCCCC2)c1 ZINC000872516973 731784425 /nfs/dbraw/zinc/78/44/25/731784425.db2.gz PTDABRUJBSIYBM-UHFFFAOYSA-N -1 3 352.431 2.656 20 30 FFEDHM N#CCCOCCN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879467268 732706394 /nfs/dbraw/zinc/70/63/94/732706394.db2.gz FOMZCCLJSLSNCE-CYBMUJFWSA-N -1 3 355.360 2.589 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CCOCC1 ZINC000885838320 733716305 /nfs/dbraw/zinc/71/63/05/733716305.db2.gz CUJDVAVZUHRHAU-UHFFFAOYSA-N -1 3 351.399 2.731 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccoc3C)no2)ccc1F ZINC000685694231 734335040 /nfs/dbraw/zinc/33/50/40/734335040.db2.gz ZLVWMAAWWQHLEV-UHFFFAOYSA-N -1 3 363.370 2.908 20 30 FFEDHM CC(Cc1ccsc1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000729638950 734587790 /nfs/dbraw/zinc/58/77/90/734587790.db2.gz NXJMFXXWQOJVOY-UHFFFAOYSA-N -1 3 353.425 2.694 20 30 FFEDHM O=C1CN(N=C(CC(F)(F)F)c2ccc(Br)cc2)C(=O)[N-]1 ZINC000731924786 734706158 /nfs/dbraw/zinc/70/61/58/734706158.db2.gz JVQNGRRYGBGZKA-UHFFFAOYSA-N -1 3 364.121 2.657 20 30 FFEDHM C=CCCCCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000783902599 738847292 /nfs/dbraw/zinc/84/72/92/738847292.db2.gz IAXQWRKDRFRHPF-AWEZNQCLSA-N -1 3 364.467 2.793 20 30 FFEDHM N#Cc1cc(Br)ccc1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000897348243 735223141 /nfs/dbraw/zinc/22/31/41/735223141.db2.gz CXRZPRXTRYDLSH-LBPRGKRZSA-N -1 3 360.215 2.507 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[C@H](C)CC)ccc1F ZINC000742720185 735251366 /nfs/dbraw/zinc/25/13/66/735251366.db2.gz RJPDEMUUMNQUFQ-OLZOCXBDSA-N -1 3 356.463 2.845 20 30 FFEDHM CC(C)n1ncc2cc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)ccc21 ZINC000901772296 735836574 /nfs/dbraw/zinc/83/65/74/735836574.db2.gz MCPOVSCQIGZGKI-ZDUSSCGKSA-N -1 3 360.361 2.740 20 30 FFEDHM COc1cc(C=NNC(=S)N[C@@H](C)C2CC2)cc(Br)c1[O-] ZINC000751529068 735890868 /nfs/dbraw/zinc/89/08/68/735890868.db2.gz MWIBCBQUZMNUHZ-QMMMGPOBSA-N -1 3 372.288 2.760 20 30 FFEDHM C=C(C)COCCNCc1cc(C)cc(Br)c1OCC(=O)[O-] ZINC000902410398 735943156 /nfs/dbraw/zinc/94/31/56/735943156.db2.gz PXKUUDKRZGLWOI-UHFFFAOYSA-N -1 3 372.259 2.903 20 30 FFEDHM CCC(CC)OC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000754740127 736192665 /nfs/dbraw/zinc/19/26/65/736192665.db2.gz YNPRDSORILTUDH-HNNXBMFYSA-N -1 3 366.483 2.872 20 30 FFEDHM CCOc1ccc(OCC)c(NC(=S)NN=Cc2ccc([O-])cn2)c1 ZINC000755689996 736271387 /nfs/dbraw/zinc/27/13/87/736271387.db2.gz XFEQQRSFVLFVRE-UHFFFAOYSA-N -1 3 360.439 2.905 20 30 FFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccccc1 ZINC000756975901 736379733 /nfs/dbraw/zinc/37/97/33/736379733.db2.gz PTMCGNNNYGWYTQ-MRXNPFEDSA-N -1 3 361.394 2.655 20 30 FFEDHM CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C=NN1CC(=O)[N-]C1=O ZINC000758098789 736452281 /nfs/dbraw/zinc/45/22/81/736452281.db2.gz GINMOCPRSKVWEA-UHFFFAOYSA-N -1 3 359.817 2.709 20 30 FFEDHM C#CCNC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000758173668 736458693 /nfs/dbraw/zinc/45/86/93/736458693.db2.gz PBKLTMWYCMKNOG-UHFFFAOYSA-N -1 3 359.476 2.715 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(F)cc1N(C)C ZINC000759204647 736554940 /nfs/dbraw/zinc/55/49/40/736554940.db2.gz HIUYMHCDWQESLO-UHFFFAOYSA-N -1 3 363.458 2.778 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908751777 736826262 /nfs/dbraw/zinc/82/62/62/736826262.db2.gz NRRSJIVCSVGNJU-UONOGXRCSA-N -1 3 351.472 2.604 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(CC)CC)C(=O)[O-] ZINC000908801633 736834688 /nfs/dbraw/zinc/83/46/88/736834688.db2.gz JXBYCVTWRRSQJE-HUUCEWRRSA-N -1 3 353.488 2.850 20 30 FFEDHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000765585561 737135544 /nfs/dbraw/zinc/13/55/44/737135544.db2.gz CCIMZYPXDCKMGQ-CYBMUJFWSA-N -1 3 361.760 2.982 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCO)c1cccs1 ZINC000768873440 737470593 /nfs/dbraw/zinc/47/05/93/737470593.db2.gz FVPPSCQQBNNOHU-HNNXBMFYSA-N -1 3 359.451 2.510 20 30 FFEDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cc(C#N)ccc2C)c1C ZINC000769430739 737529587 /nfs/dbraw/zinc/52/95/87/737529587.db2.gz MCCWOJFMYDHUNT-UHFFFAOYSA-N -1 3 362.407 2.756 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(OC)cc2)ccc1F ZINC000914456987 737579639 /nfs/dbraw/zinc/57/96/39/737579639.db2.gz KEHHTISCPPHGDT-UHFFFAOYSA-N -1 3 365.382 2.518 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CC[C@@H]2CC)ccc1F ZINC000772446077 737813039 /nfs/dbraw/zinc/81/30/39/737813039.db2.gz ROOVZSLGVHXDEE-OCCSQVGLSA-N -1 3 354.447 2.693 20 30 FFEDHM COc1c([O-])c(CN=Nc2ccc(C(F)(F)F)nn2)ccc1[N+](=O)[O-] ZINC000773069667 737868489 /nfs/dbraw/zinc/86/84/89/737868489.db2.gz VRJJBZZTKKDSAH-UHFFFAOYSA-N -1 3 357.248 2.564 20 30 FFEDHM C=C1CCC(C[N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000921602015 738011905 /nfs/dbraw/zinc/01/19/05/738011905.db2.gz MGYUIGZPULWHGI-UHFFFAOYSA-N -1 3 358.847 2.546 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC(C)(C)C2)ccc1F ZINC000785633760 738984596 /nfs/dbraw/zinc/98/45/96/738984596.db2.gz HJOUYPYEHBKGDR-CQSZACIVSA-N -1 3 368.474 2.989 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C2(C)CCCC2)ccc1F ZINC000786537684 739058881 /nfs/dbraw/zinc/05/88/81/739058881.db2.gz DAINYUNPPIHVGH-UHFFFAOYSA-N -1 3 354.447 2.695 20 30 FFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000786849767 739081967 /nfs/dbraw/zinc/08/19/67/739081967.db2.gz KGNXDZKDYHWDCI-JTQLQIEISA-N -1 3 354.255 2.785 20 30 FFEDHM C=CCOCCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000795425068 740019705 /nfs/dbraw/zinc/01/97/05/740019705.db2.gz JKWDETBUCFHWNR-UHFFFAOYSA-N -1 3 373.446 2.652 20 30 FFEDHM C[C@H](C#N)OCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000801848743 740657609 /nfs/dbraw/zinc/65/76/09/740657609.db2.gz BGDKFDKXUQIQMK-SNVBAGLBSA-N -1 3 364.199 2.925 20 30 FFEDHM C=CCCCCCC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000805105334 740939249 /nfs/dbraw/zinc/93/92/49/740939249.db2.gz RTCRYKSNMQLPQY-UHFFFAOYSA-N -1 3 360.863 2.936 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(Cl)cc1 ZINC000810099415 741385820 /nfs/dbraw/zinc/38/58/20/741385820.db2.gz ICJQEYBSPYNCFQ-ZDUSSCGKSA-N -1 3 367.810 2.681 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](CC)CC2)ccc1F ZINC000814345793 741812468 /nfs/dbraw/zinc/81/24/68/741812468.db2.gz SLDSPIBODMKRCJ-CTYIDZIISA-N -1 3 368.474 2.989 20 30 FFEDHM Cc1cc(=O)[n-]c(NNC=C(CC(F)(F)F)NC(=O)OC(C)(C)C)n1 ZINC000814681273 741857237 /nfs/dbraw/zinc/85/72/37/741857237.db2.gz DYTWPJGDKSWKOL-SECBINFHSA-N -1 3 363.340 2.734 20 30 FFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1ccc(F)c(F)c1F ZINC000814946125 741876015 /nfs/dbraw/zinc/87/60/15/741876015.db2.gz FOTIVZBEOFCDRA-UHFFFAOYSA-N -1 3 354.219 2.920 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000816569847 742043216 /nfs/dbraw/zinc/04/32/16/742043216.db2.gz YEZZWIWOTVWORO-MFKMUULPSA-N -1 3 353.369 2.519 20 30 FFEDHM CCC(CC)(Cc1nc2ccccc2s1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820157554 742468488 /nfs/dbraw/zinc/46/84/88/742468488.db2.gz ZFRPPOGZBNYTCK-CYBMUJFWSA-N -1 3 361.467 2.752 20 30 FFEDHM CCOc1cc(/C=C\C(=O)c2cnnn2C)cc(Br)c1[O-] ZINC000821017919 742578167 /nfs/dbraw/zinc/57/81/67/742578167.db2.gz SDNBINWELNCHBE-PLNGDYQASA-N -1 3 352.188 2.578 20 30 FFEDHM N#Cc1sc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)nc1Cl ZINC001054862176 745037773 /nfs/dbraw/zinc/03/77/73/745037773.db2.gz YRMWWELPDDWKFI-USWWRNFRSA-N -1 3 374.853 2.913 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1 ZINC000848694873 748987193 /nfs/dbraw/zinc/98/71/93/748987193.db2.gz KHCWCMWZXIMOOW-MRXNPFEDSA-N -1 3 356.419 2.527 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCOCC1 ZINC000851828920 749691937 /nfs/dbraw/zinc/69/19/37/749691937.db2.gz FFTZIXCOFTZDHC-ZDUSSCGKSA-N -1 3 365.348 2.551 20 30 FFEDHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736057138 944736915 /nfs/dbraw/zinc/73/69/15/944736915.db2.gz UCOUEJLEPWKTOX-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736057138 944736932 /nfs/dbraw/zinc/73/69/32/944736932.db2.gz UCOUEJLEPWKTOX-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1ccccn1 ZINC000822016340 945919698 /nfs/dbraw/zinc/91/96/98/945919698.db2.gz XURBGIKNGFHGBV-WAYWQWQTSA-N -1 3 363.406 2.713 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1-c1ccccn1 ZINC000822016340 945919707 /nfs/dbraw/zinc/91/97/07/945919707.db2.gz XURBGIKNGFHGBV-WAYWQWQTSA-N -1 3 363.406 2.713 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000823909593 946515153 /nfs/dbraw/zinc/51/51/53/946515153.db2.gz KLALUTVWWIIALJ-ZDUSSCGKSA-N -1 3 367.413 2.622 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000823909593 946515166 /nfs/dbraw/zinc/51/51/66/946515166.db2.gz KLALUTVWWIIALJ-ZDUSSCGKSA-N -1 3 367.413 2.622 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCN(CC)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573293238 946950757 /nfs/dbraw/zinc/95/07/57/946950757.db2.gz PMXMJNFXXSFCIS-UHFFFAOYSA-N -1 3 374.464 2.546 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)[C@H]1C ZINC001573305019 947147495 /nfs/dbraw/zinc/14/74/95/947147495.db2.gz KXOUNTAEUARJBH-HIFRSBDPSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)[C@H]1C ZINC001573305019 947147499 /nfs/dbraw/zinc/14/74/99/947147499.db2.gz KXOUNTAEUARJBH-HIFRSBDPSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573306825 947175843 /nfs/dbraw/zinc/17/58/43/947175843.db2.gz NJSPKAOEOYOTDQ-MEDUHNTESA-N -1 3 363.491 2.541 20 30 FFEDHM C=CCCCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573336019 947498196 /nfs/dbraw/zinc/49/81/96/947498196.db2.gz YYCUFHPNSUCZSV-LSDHHAIUSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573336019 947498200 /nfs/dbraw/zinc/49/82/00/947498200.db2.gz YYCUFHPNSUCZSV-LSDHHAIUSA-N -1 3 369.473 2.623 20 30 FFEDHM COc1cc2c(c(C=NNc3cccc(-c4nnn[n-]4)c3)c1)O[C@H](C)C2 ZINC000826178513 947553487 /nfs/dbraw/zinc/55/34/87/947553487.db2.gz AVMDCBPAAMSUCM-LLVKDONJSA-N -1 3 350.382 2.645 20 30 FFEDHM COc1cc2c(c(C=NNc3cccc(-c4nn[n-]n4)c3)c1)O[C@H](C)C2 ZINC000826178513 947553495 /nfs/dbraw/zinc/55/34/95/947553495.db2.gz AVMDCBPAAMSUCM-LLVKDONJSA-N -1 3 350.382 2.645 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC000826178701 947554062 /nfs/dbraw/zinc/55/40/62/947554062.db2.gz ISSBGJHQHCWQKC-CLTKARDFSA-N -1 3 369.312 2.819 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC000826178701 947554075 /nfs/dbraw/zinc/55/40/75/947554075.db2.gz ISSBGJHQHCWQKC-CLTKARDFSA-N -1 3 369.312 2.819 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCCC2(CC2)C1 ZINC001573348143 947581111 /nfs/dbraw/zinc/58/11/11/947581111.db2.gz MZSWDGQVGWVRKU-UHFFFAOYSA-N -1 3 362.441 2.692 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCCC2(CC2)C1 ZINC001573348143 947581115 /nfs/dbraw/zinc/58/11/15/947581115.db2.gz MZSWDGQVGWVRKU-UHFFFAOYSA-N -1 3 362.441 2.692 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(C)c(-c4nnn[n-]4)c3)cc21 ZINC001573351630 947617596 /nfs/dbraw/zinc/61/75/96/947617596.db2.gz USEVHQUHHPPXLV-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(C)c(-c4nn[n-]n4)c3)cc21 ZINC001573351630 947617603 /nfs/dbraw/zinc/61/76/03/947617603.db2.gz USEVHQUHHPPXLV-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM N#CCc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000785163897 967240724 /nfs/dbraw/zinc/24/07/24/967240724.db2.gz FIXVPPVJNSNFCV-SFHVURJKSA-N -1 3 364.401 2.806 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)ncc2C)C1=O ZINC000895484471 970671993 /nfs/dbraw/zinc/67/19/93/970671993.db2.gz ZQMKJWRJZZMRIM-GOSISDBHSA-N -1 3 364.421 2.845 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc2c(cc1[O-])OCO2 ZINC000436571152 975399437 /nfs/dbraw/zinc/39/94/37/975399437.db2.gz AFUIWCQXTVVSCR-UHFFFAOYSA-N -1 3 363.291 2.921 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000908819731 981545744 /nfs/dbraw/zinc/54/57/44/981545744.db2.gz HOMISFNTFYRTKS-GOSISDBHSA-N -1 3 359.470 2.544 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909095002 981620451 /nfs/dbraw/zinc/62/04/51/981620451.db2.gz RTYDTBHLFDFUKN-NJAFHUGGSA-N -1 3 359.470 2.758 20 30 FFEDHM CC(C)c1cc(=O)[n-]c(N2CC[C@H](NCc3cc(C#N)cnc3Cl)C2)n1 ZINC000897703320 982481219 /nfs/dbraw/zinc/48/12/19/982481219.db2.gz AKGSDNGBRYHSQV-AWEZNQCLSA-N -1 3 372.860 2.594 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000912535916 984059767 /nfs/dbraw/zinc/05/97/67/984059767.db2.gz OZKIPVPUEWMVSX-UHFFFAOYSA-N -1 3 351.406 2.989 20 30 FFEDHM C#CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000764449250 984499505 /nfs/dbraw/zinc/49/95/05/984499505.db2.gz JBGOKVCNIQGMKS-UHFFFAOYSA-N -1 3 372.421 2.864 20 30 FFEDHM C#CCOc1ccccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000761988805 988028644 /nfs/dbraw/zinc/02/86/44/988028644.db2.gz CXZRASPNJYJSEP-UHFFFAOYSA-N -1 3 369.402 2.787 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](O)c1cccc(Cl)c1 ZINC000915090311 988222094 /nfs/dbraw/zinc/22/20/94/988222094.db2.gz FBJMOMMJVXQXCX-KRWDZBQOSA-N -1 3 373.840 2.712 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC000993376283 988999568 /nfs/dbraw/zinc/99/95/68/988999568.db2.gz RWZSDZNOMWLNCZ-NQERJWCQSA-N -1 3 356.466 2.915 20 30 FFEDHM CO[C@H](C)c1nsc([N-]C(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC001128947182 990050613 /nfs/dbraw/zinc/05/06/13/990050613.db2.gz OVBWYPUBEDCJEJ-ZCFIWIBFSA-N -1 3 357.317 2.783 20 30 FFEDHM COC(=O)c1cccc(COC(=O)c2n[n-]c3c2cccc3OC)c1C#N ZINC000808674553 994215083 /nfs/dbraw/zinc/21/50/83/994215083.db2.gz JHZBELHAHJORMA-UHFFFAOYSA-N -1 3 365.345 2.587 20 30 FFEDHM COC(=O)c1cccc(COC(=O)c2[n-]nc3c2cccc3OC)c1C#N ZINC000808674553 994215093 /nfs/dbraw/zinc/21/50/93/994215093.db2.gz JHZBELHAHJORMA-UHFFFAOYSA-N -1 3 365.345 2.587 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCO3)cc1 ZINC000810533627 994814178 /nfs/dbraw/zinc/81/41/78/994814178.db2.gz RFXBZLWPBOOYRM-SWLSCSKDSA-N -1 3 352.394 2.750 20 30 FFEDHM CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1cncc([O-])c1 ZINC000731914748 998335575 /nfs/dbraw/zinc/33/55/75/998335575.db2.gz QRQXWOLGPISEBS-GIJQJNRQSA-N -1 3 352.390 2.825 20 30 FFEDHM Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc21 ZINC000741750220 999741098 /nfs/dbraw/zinc/74/10/98/999741098.db2.gz FKLPCXVHOFXWQC-OAHLLOKOSA-N -1 3 374.404 2.665 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C)n1 ZINC000744030677 999840879 /nfs/dbraw/zinc/84/08/79/999840879.db2.gz KMXZQMDQCZVEHS-CYBMUJFWSA-N -1 3 352.394 2.657 20 30 FFEDHM O=C1CN(N=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)[N-]1 ZINC000744807253 999877283 /nfs/dbraw/zinc/87/72/83/999877283.db2.gz RSMFHOGZXVNRMZ-UHFFFAOYSA-N -1 3 363.352 2.564 20 30 FFEDHM N#CC[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001129372486 1000129004 /nfs/dbraw/zinc/12/90/04/1000129004.db2.gz JXNGEEHEOPBUBM-HIFRSBDPSA-N -1 3 367.371 2.601 20 30 FFEDHM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccc2c(c1)OCO2 ZINC000769811650 1000610299 /nfs/dbraw/zinc/61/02/99/1000610299.db2.gz BBRRZGXKDOFUAY-UHFFFAOYSA-N -1 3 368.397 2.852 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cncc(OC(C)C)c2)c1 ZINC000770100121 1000676805 /nfs/dbraw/zinc/67/68/05/1000676805.db2.gz OXBFIQCSXAKATP-QGZVFWFLSA-N -1 3 353.378 2.839 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccn3ccnc23)no1 ZINC000771430679 1001112561 /nfs/dbraw/zinc/11/25/61/1001112561.db2.gz VRQUCBHKXAVZCV-UHFFFAOYSA-N -1 3 360.377 2.759 20 30 FFEDHM N#Cc1ccc(N2CC[C@@]3(CNC(=O)c4ccccc4[O-])CCC[C@@H]23)nc1 ZINC001054704161 1016505387 /nfs/dbraw/zinc/50/53/87/1016505387.db2.gz ARPKUEOZLBTDPN-WIYYLYMNSA-N -1 3 362.433 2.838 20 30 FFEDHM CCOC(=O)[C@H](CC)[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000789466279 1002090098 /nfs/dbraw/zinc/09/00/98/1002090098.db2.gz QCVALCWYKIKLKQ-ZIAGYGMSSA-N -1 3 362.426 2.729 20 30 FFEDHM COC(=O)c1scnc1[N-]C(=O)c1cc(Cl)c(C#N)c(Cl)n1 ZINC001184796582 1002720867 /nfs/dbraw/zinc/72/08/67/1002720867.db2.gz XXBSVDAOIBYULX-UHFFFAOYSA-N -1 3 357.178 2.755 20 30 FFEDHM N#Cc1n[nH]cc1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185929877 1003136310 /nfs/dbraw/zinc/13/63/10/1003136310.db2.gz NEXZZFNUOWCZNM-UHFFFAOYSA-N -1 3 369.425 2.696 20 30 FFEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186356851 1003287443 /nfs/dbraw/zinc/28/74/43/1003287443.db2.gz OUAGHVITYNBOLI-NSHDSACASA-N -1 3 351.653 2.578 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nnc2ccccc2c1[O-] ZINC000804462944 1003687390 /nfs/dbraw/zinc/68/73/90/1003687390.db2.gz WBTLJBVOTZGTSQ-UHFFFAOYSA-N -1 3 353.378 2.639 20 30 FFEDHM COc1c(F)cc(F)cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196639759 1003895131 /nfs/dbraw/zinc/89/51/31/1003895131.db2.gz PZCQBJWNUNUEMV-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC001197106285 1004085653 /nfs/dbraw/zinc/08/56/53/1004085653.db2.gz HSNYJPDQKDNXNQ-SOFGYWHQSA-N -1 3 360.366 2.684 20 30 FFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC001192923061 1004329688 /nfs/dbraw/zinc/32/96/88/1004329688.db2.gz NDVCAGHQNQDDCU-UHFFFAOYSA-N -1 3 373.276 2.515 20 30 FFEDHM N#Cc1sccc1[N-]C(=O)c1cn2nc(Br)sc2n1 ZINC001152077339 1004368598 /nfs/dbraw/zinc/36/85/98/1004368598.db2.gz OTHOBPXVXCMGEE-UHFFFAOYSA-N -1 3 354.214 2.739 20 30 FFEDHM CCOC(=O)c1cc(F)c(Cl)c([N-]S(=O)(=O)[C@H](C)C#N)c1Cl ZINC001193151987 1004392353 /nfs/dbraw/zinc/39/23/53/1004392353.db2.gz YBWPRYFDQNDBEL-ZCFIWIBFSA-N -1 3 369.201 2.963 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)C(=O)Nc1ccc2ccccc2c1 ZINC001193194651 1004398924 /nfs/dbraw/zinc/39/89/24/1004398924.db2.gz VGJDYNCSZFBJAI-GUYCJALGSA-N -1 3 359.451 2.634 20 30 FFEDHM N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc(Cl)[n-]c3=O)C2)cc1 ZINC001195133647 1004899734 /nfs/dbraw/zinc/89/97/34/1004899734.db2.gz KFSXXKRVGRBXOQ-CQSZACIVSA-N -1 3 357.797 2.996 20 30 FFEDHM N#Cc1cc(NC(=O)c2cncc(OCC3CCOCC3)c2)ccc1[O-] ZINC001199532218 1004966752 /nfs/dbraw/zinc/96/67/52/1004966752.db2.gz BFSYRABZNRZNLU-UHFFFAOYSA-N -1 3 353.378 2.717 20 30 FFEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1ccnc(OC2CCC2)n1 ZINC001199649317 1004995728 /nfs/dbraw/zinc/99/57/28/1004995728.db2.gz GAFCSBQVICCJRF-UHFFFAOYSA-N -1 3 372.388 2.989 20 30 FFEDHM N#Cc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201019943 1005155714 /nfs/dbraw/zinc/15/57/14/1005155714.db2.gz YDOBZOOTURLUPZ-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2cnccc2Br)cc1C#N ZINC001201295485 1005196115 /nfs/dbraw/zinc/19/61/15/1005196115.db2.gz SMAUSOQSYKQMBJ-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(F)cc1F ZINC001201316783 1005198720 /nfs/dbraw/zinc/19/87/20/1005198720.db2.gz DDZMEQUNGHYUAF-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273030 1005338444 /nfs/dbraw/zinc/33/84/44/1005338444.db2.gz AWVYQCABVVNBKJ-UHFFFAOYSA-N -1 3 356.353 2.608 20 30 FFEDHM CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776273097 1005339146 /nfs/dbraw/zinc/33/91/46/1005339146.db2.gz BVLSKOHXSAIYHZ-UHFFFAOYSA-N -1 3 352.346 2.652 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cccc2ncccc21 ZINC000776273553 1005339507 /nfs/dbraw/zinc/33/95/07/1005339507.db2.gz HUBDTSIRMUFTQN-GFCCVEGCSA-N -1 3 361.357 2.996 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001489693675 1005546033 /nfs/dbraw/zinc/54/60/33/1005546033.db2.gz KWWHFNFQWFUBIY-HUUCEWRRSA-N -1 3 369.469 2.717 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1Br ZINC001133906976 1006026941 /nfs/dbraw/zinc/02/69/41/1006026941.db2.gz JGHVLKWRJRNMDO-UHFFFAOYSA-N -1 3 360.093 2.710 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1Br ZINC001133906976 1006026953 /nfs/dbraw/zinc/02/69/53/1006026953.db2.gz JGHVLKWRJRNMDO-UHFFFAOYSA-N -1 3 360.093 2.710 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(COC[C@@H]3CCCO3)c2)c1[O-] ZINC000852998487 1006270912 /nfs/dbraw/zinc/27/09/12/1006270912.db2.gz MTMKNIDSFLWNQV-QKXOWGBTSA-N -1 3 370.449 2.903 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H]2CN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001188062996 1006392155 /nfs/dbraw/zinc/39/21/55/1006392155.db2.gz ACDHPSRZDIGKNO-DOTOQJQBSA-N -1 3 370.497 2.695 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001188236367 1006457303 /nfs/dbraw/zinc/45/73/03/1006457303.db2.gz UCPOJFJNFDYSEX-WKEGUHRASA-N -1 3 351.712 2.716 20 30 FFEDHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNc2ccc(C#N)cc2)n1 ZINC000853976525 1006613296 /nfs/dbraw/zinc/61/32/96/1006613296.db2.gz XBRYPIRKQGYAMR-UHFFFAOYSA-N -1 3 355.398 2.691 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@]12CCC[C@H]1OCC2 ZINC001135221441 1006788398 /nfs/dbraw/zinc/78/83/98/1006788398.db2.gz WASMBWMUSILGCA-YLJYHZDGSA-N -1 3 357.454 2.626 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nc1 ZINC000815908254 1006821006 /nfs/dbraw/zinc/82/10/06/1006821006.db2.gz WYOVLJUIROTIFY-HNNXBMFYSA-N -1 3 351.362 2.528 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc2ccccc2n1Cc1ccccc1F ZINC000816693442 1007168163 /nfs/dbraw/zinc/16/81/63/1007168163.db2.gz KYZCJWUQHLZZIL-INIZCTEOSA-N -1 3 367.380 2.549 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)N[C@@H]3CCN([O-])C3=O)c3ccccc3n2)cc1 ZINC000816692113 1007168633 /nfs/dbraw/zinc/16/86/33/1007168633.db2.gz GROPRWMJYKSIIQ-GOSISDBHSA-N -1 3 361.401 2.930 20 30 FFEDHM COC(=O)Nc1ccc(C(=O)OCCCC2(C#N)CCOCC2)cc1[O-] ZINC000800175886 1007191412 /nfs/dbraw/zinc/19/14/12/1007191412.db2.gz SOKMMKGNONDYJA-UHFFFAOYSA-N -1 3 362.382 2.828 20 30 FFEDHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190617411 1007703664 /nfs/dbraw/zinc/70/36/64/1007703664.db2.gz JZDLGHSTSPBTPF-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190669416 1007726197 /nfs/dbraw/zinc/72/61/97/1007726197.db2.gz QLARMDKKWIRQNY-JTQLQIEISA-N -1 3 352.362 2.885 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(Cc3ccccn3)CCC2)c1 ZINC001190676724 1007744943 /nfs/dbraw/zinc/74/49/43/1007744943.db2.gz BAESVZXSAMBIRJ-UHFFFAOYSA-N -1 3 359.426 2.784 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(-c3ncccn3)cc2)c1 ZINC001190677251 1007746338 /nfs/dbraw/zinc/74/63/38/1007746338.db2.gz OINCEBLNUZUNCM-UHFFFAOYSA-N -1 3 368.393 2.633 20 30 FFEDHM C[C@@H](Oc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1)c1ccccc1 ZINC000820477421 1008339262 /nfs/dbraw/zinc/33/92/62/1008339262.db2.gz YNOYAMDKJZHPAK-RDTXWAMCSA-N -1 3 354.406 2.937 20 30 FFEDHM O=C(Nc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)s1)Nc1ccccc1 ZINC000820482220 1008339796 /nfs/dbraw/zinc/33/97/96/1008339796.db2.gz GMWLDTVFFNVRDW-LBPRGKRZSA-N -1 3 374.422 2.502 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2Cc3ccccc3O2)c(C)c1[O-] ZINC001178942444 1009201125 /nfs/dbraw/zinc/20/11/25/1009201125.db2.gz VEDITAJLLXFLIK-INIZCTEOSA-N -1 3 366.373 2.691 20 30 FFEDHM C[C@H](NC(=O)c1cccc(SCC#N)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182704 1009273273 /nfs/dbraw/zinc/27/32/73/1009273273.db2.gz IFCCGJBMJBSGTL-QMMMGPOBSA-N -1 3 355.345 2.930 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c(C)cc(O)cc1[O-] ZINC001274217888 1009624769 /nfs/dbraw/zinc/62/47/69/1009624769.db2.gz KCPCHZBVFKHZAT-HXUWFJFHSA-N -1 3 358.438 2.580 20 30 FFEDHM CN1CCN(c2cccc(-c3noc(-c4ccc([O-])c(C#N)c4)n3)c2)CC1 ZINC001216969820 1032575719 /nfs/dbraw/zinc/57/57/19/1032575719.db2.gz RQLYBOYSHGFAHF-UHFFFAOYSA-N -1 3 361.405 2.733 20 30 FFEDHM COc1cc(CCC(=O)[N-]Oc2cccc(C#N)c2)cc(OC)c1OC ZINC000870693786 1012529904 /nfs/dbraw/zinc/52/99/04/1012529904.db2.gz UNAQMONIRIEHRW-UHFFFAOYSA-N -1 3 356.378 2.627 20 30 FFEDHM CCOc1cc2c(cc1C/N=C/c1c([O-])c(C)ncc1CO)O[C@H](C)C2 ZINC000005111118 1012577301 /nfs/dbraw/zinc/57/73/01/1012577301.db2.gz GTLPRHHJUWNDLY-FZTAQKCPSA-N -1 3 356.422 2.929 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)Cc3ccc([O-])c(F)c3)n2)c1 ZINC001137430101 1018340113 /nfs/dbraw/zinc/34/01/13/1018340113.db2.gz BFBKOKLWJSVZOI-UHFFFAOYSA-N -1 3 350.353 2.652 20 30 FFEDHM CNS(=O)(=O)c1cccc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901368383 1019011791 /nfs/dbraw/zinc/01/17/91/1019011791.db2.gz XTTCYAKUFHNZAG-UHFFFAOYSA-N -1 3 370.430 2.780 20 30 FFEDHM CN(C)C(=O)N1CCC(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000901370319 1019013054 /nfs/dbraw/zinc/01/30/54/1019013054.db2.gz WTPXGTBVWNVYNR-UHFFFAOYSA-N -1 3 355.438 2.951 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)OCC ZINC001116592157 1021299986 /nfs/dbraw/zinc/29/99/86/1021299986.db2.gz PUNWDGHRSRWJEA-CYBMUJFWSA-N -1 3 366.464 2.596 20 30 FFEDHM COCCC[C@H](Cc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001116874347 1021465262 /nfs/dbraw/zinc/46/52/62/1021465262.db2.gz XHZUBAXKBHQAER-MRXNPFEDSA-N -1 3 358.463 2.763 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NN1CCCc2ccccc21 ZINC000753079897 1023263251 /nfs/dbraw/zinc/26/32/51/1023263251.db2.gz PTQFATNTPLUJCN-UHFFFAOYSA-N -1 3 350.422 2.692 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(SC)c2)cc1OC ZINC000779196466 1023346025 /nfs/dbraw/zinc/34/60/25/1023346025.db2.gz DBPWGBWVDLVHOH-CYBMUJFWSA-N -1 3 371.418 2.782 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc(N)c2ccccc2n1 ZINC001122625848 1023376827 /nfs/dbraw/zinc/37/68/27/1023376827.db2.gz WUYJIFSROVNZFT-AWEZNQCLSA-N -1 3 357.373 2.587 20 30 FFEDHM COc1cccc([C@@]2(C)NC(=O)N(N=Cc3c([O-])cccc3Cl)C2=O)c1 ZINC000755569924 1023610815 /nfs/dbraw/zinc/61/08/15/1023610815.db2.gz RJMJZZQILPIGLI-GOSISDBHSA-N -1 3 373.796 2.855 20 30 FFEDHM C=C[C@H](C)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000757426127 1023820825 /nfs/dbraw/zinc/82/08/25/1023820825.db2.gz XDYMFPBTMIJQAM-LBPRGKRZSA-N -1 3 370.405 2.966 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 ZINC001121532712 1023831931 /nfs/dbraw/zinc/83/19/31/1023831931.db2.gz HTRUELDZASRSEX-ZDUSSCGKSA-N -1 3 366.425 2.833 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C)[C@H](F)C1 ZINC001121602548 1023875346 /nfs/dbraw/zinc/87/53/46/1023875346.db2.gz UWRFADPLXUIGNI-BXUZGUMPSA-N -1 3 358.421 2.688 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(F)c(C#N)c1 ZINC000758929803 1024378393 /nfs/dbraw/zinc/37/83/93/1024378393.db2.gz FMCPOPLBHZPQBD-UHFFFAOYSA-N -1 3 353.353 2.963 20 30 FFEDHM O=C(c1cnc2cccnc2c1[O-])N1CCC(C#Cc2ccccc2)CC1 ZINC001153856088 1028029266 /nfs/dbraw/zinc/02/92/66/1028029266.db2.gz QNIRNLDRFHWLAA-UHFFFAOYSA-N -1 3 357.413 2.827 20 30 FFEDHM CC(C)CC1(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)CCOCC1 ZINC001154560469 1028354567 /nfs/dbraw/zinc/35/45/67/1028354567.db2.gz KREDIMXLFAGDBH-UHFFFAOYSA-N -1 3 353.422 2.725 20 30 FFEDHM COc1cccnc1[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C1CC1 ZINC001154559873 1028355367 /nfs/dbraw/zinc/35/53/67/1028355367.db2.gz CQTWJDRILAOYCD-IBGZPJMESA-N -1 3 374.400 2.684 20 30 FFEDHM N#Cc1cc(C(F)(F)F)cc(NCCNC(=O)c2ccc([O-])cc2)n1 ZINC001162177592 1028460990 /nfs/dbraw/zinc/46/09/90/1028460990.db2.gz TZOOKGYHSZRCPK-UHFFFAOYSA-N -1 3 350.300 2.520 20 30 FFEDHM N#CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000780894890 1028854735 /nfs/dbraw/zinc/85/47/35/1028854735.db2.gz LTYWYEOLIABMTD-QGZVFWFLSA-N -1 3 365.389 2.538 20 30 FFEDHM [O-]/N=C/c1cccc(NC[C@@H]2OCCc3cn(Cc4ccccn4)nc32)c1 ZINC001163543661 1028965563 /nfs/dbraw/zinc/96/55/63/1028965563.db2.gz RFLBGMYWJDSACO-YRJNPLERSA-N -1 3 363.421 2.860 20 30 FFEDHM O=c1occ2[nH]cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc1-2 ZINC001163771143 1029056673 /nfs/dbraw/zinc/05/66/73/1029056673.db2.gz XRWXUOHLRBNFEU-UHFFFAOYSA-N -1 3 353.256 2.899 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(OC2CCCC2)nc1 ZINC000781773398 1029397170 /nfs/dbraw/zinc/39/71/70/1029397170.db2.gz RIXCMOYJDHRWCI-HNNXBMFYSA-N -1 3 350.378 2.759 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000798712208 1031504981 /nfs/dbraw/zinc/50/49/81/1031504981.db2.gz FXFNMWJLXVSHPW-OAHLLOKOSA-N -1 3 350.422 2.619 20 30 FFEDHM Cc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1C(=O)c1ccccc1 ZINC001219852052 1033852494 /nfs/dbraw/zinc/85/24/94/1033852494.db2.gz GFRRQDRGOUXKKD-QGZVFWFLSA-N -1 3 367.405 2.728 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)[n-]1 ZINC001225467370 1034264999 /nfs/dbraw/zinc/26/49/99/1034264999.db2.gz BQFCYJLTSGUOAQ-JGGQBBKZSA-N -1 3 359.426 2.992 20 30 FFEDHM COc1c([O-])ccc(C=N[N-]c2oc(CC(C)C)nc2C#N)c1[N+](=O)[O-] ZINC000834947412 1035479343 /nfs/dbraw/zinc/47/93/43/1035479343.db2.gz FZYCIZKOJVRINJ-UHFFFAOYSA-N -1 3 359.342 2.813 20 30 FFEDHM COc1c([O-])ccc(CN=Nc2oc(CC(C)C)nc2C#N)c1[N+](=O)[O-] ZINC000834947412 1035479346 /nfs/dbraw/zinc/47/93/46/1035479346.db2.gz FZYCIZKOJVRINJ-UHFFFAOYSA-N -1 3 359.342 2.813 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001140890215 1036385948 /nfs/dbraw/zinc/38/59/48/1036385948.db2.gz ZDBMZKWRGARFOI-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2cc(O)cc([O-])c2Br)[C@H]2OC(C)(C)O[C@@H]12 ZINC001229096516 1036495893 /nfs/dbraw/zinc/49/58/93/1036495893.db2.gz FAVHOPYGFGLOAT-HBEIAFGSSA-N -1 3 373.199 2.670 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc(=O)[n-]c2c1SCC2 ZINC001230790499 1037358639 /nfs/dbraw/zinc/35/86/39/1037358639.db2.gz MASIKOAAIWWSAK-LBPRGKRZSA-N -1 3 365.455 2.775 20 30 FFEDHM C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3cc(F)c([O-])cc3F)C2)C1=O ZINC001276567301 1038211861 /nfs/dbraw/zinc/21/18/61/1038211861.db2.gz XZVGWYBGYKGIJA-IBGZPJMESA-N -1 3 364.392 2.588 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN(Cc3cc(C(=O)[O-])ccc3F)CC2)C1=O ZINC001276611249 1038650022 /nfs/dbraw/zinc/65/00/22/1038650022.db2.gz JYWQLBVEADZKKR-FQEVSTJZSA-N -1 3 360.429 2.915 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)c(OC)c1 ZINC001258959840 1039618042 /nfs/dbraw/zinc/61/80/42/1039618042.db2.gz RAPGEXQOPLCZOT-UHFFFAOYSA-N -1 3 354.334 2.654 20 30 FFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-][C@@H](C#N)c1ccc(F)cc1)C(=O)C2 ZINC001258975215 1039632173 /nfs/dbraw/zinc/63/21/73/1039632173.db2.gz MIVPWMJVCGWKPS-YEWWUXTCSA-N -1 3 364.442 2.705 20 30 FFEDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ncc(C#N)cc1Br ZINC001259487235 1040054140 /nfs/dbraw/zinc/05/41/40/1040054140.db2.gz YEHRFORXXFBQPS-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)OCC ZINC001213383514 1040497142 /nfs/dbraw/zinc/49/71/42/1040497142.db2.gz RIDMBNPNKUWNSP-LLVKDONJSA-N -1 3 370.229 2.832 20 30 FFEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1F ZINC001260452369 1040600364 /nfs/dbraw/zinc/60/03/64/1040600364.db2.gz TWJBAHMFJVJOGL-UHFFFAOYSA-N -1 3 362.313 2.744 20 30 FFEDHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC001215954236 1041916250 /nfs/dbraw/zinc/91/62/50/1041916250.db2.gz LOEISUJPGBEPIM-GFCCVEGCSA-N -1 3 368.821 2.580 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@](C)(COC)C3)n2C)c1[O-] ZINC001262918149 1041959822 /nfs/dbraw/zinc/95/98/22/1041959822.db2.gz IKBMJCANMVTBCV-HXUWFJFHSA-N -1 3 372.469 2.548 20 30 FFEDHM N#Cc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2N)c1F ZINC001216415865 1042020811 /nfs/dbraw/zinc/02/08/11/1042020811.db2.gz JMFGHTVENVXYHX-UHFFFAOYSA-N -1 3 370.203 2.843 20 30 FFEDHM Cn1cc(CN2CC3(C2)CN(Cc2ccc(Cl)c([O-])c2)C3)cc1C#N ZINC001279314378 1042996861 /nfs/dbraw/zinc/99/68/61/1042996861.db2.gz WXYIZJMHCQMMCQ-UHFFFAOYSA-N -1 3 356.857 2.574 20 30 FFEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC001310108633 1043637531 /nfs/dbraw/zinc/63/75/31/1043637531.db2.gz UANQAOPOCUMIMR-ZWKOTPCHSA-N -1 3 364.405 2.844 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(Cl)cc1C#N ZINC001321296644 1045618534 /nfs/dbraw/zinc/61/85/34/1045618534.db2.gz BDGAHOSKZHIKTA-UHFFFAOYSA-N -1 3 355.785 2.767 20 30 FFEDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)ccc1C ZINC001322421898 1046077424 /nfs/dbraw/zinc/07/74/24/1046077424.db2.gz RWVKPQMSZQALGS-UHFFFAOYSA-N -1 3 374.418 2.875 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001325908161 1046682261 /nfs/dbraw/zinc/68/22/61/1046682261.db2.gz BNKXQEHHUUKQSF-IUCAKERBSA-N -1 3 370.780 2.623 20 30 FFEDHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)no1 ZINC001327035094 1047167592 /nfs/dbraw/zinc/16/75/92/1047167592.db2.gz IAIFMRHVVOJTPM-VIFPVBQESA-N -1 3 362.436 2.812 20 30 FFEDHM C[C@@H]1CCc2nc([N-]C(=O)c3cc(-c4ccn(C)n4)on3)c(C#N)cc2C1 ZINC001289756668 1047729366 /nfs/dbraw/zinc/72/93/66/1047729366.db2.gz ITSSSGMSHPHCJV-LLVKDONJSA-N -1 3 362.393 2.719 20 30 FFEDHM N#Cc1cccc([C@@H](NCc2nc3c(c(=O)[n-]2)COCC3)C(F)(F)F)c1 ZINC001331163361 1049494192 /nfs/dbraw/zinc/49/41/92/1049494192.db2.gz SCZNYCTYSGMWMN-OAHLLOKOSA-N -1 3 364.327 2.520 20 30 FFEDHM N#Cc1cccc([C@H](NCc2nc3c(c(=O)[n-]2)COCC3)C(F)(F)F)c1 ZINC001331163360 1049494355 /nfs/dbraw/zinc/49/43/55/1049494355.db2.gz SCZNYCTYSGMWMN-HNNXBMFYSA-N -1 3 364.327 2.520 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1CSC ZINC001341740192 1050357789 /nfs/dbraw/zinc/35/77/89/1050357789.db2.gz RUUGPFGOEFUKEF-CYBMUJFWSA-N -1 3 360.487 2.657 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001342088570 1050684552 /nfs/dbraw/zinc/68/45/52/1050684552.db2.gz PZMPLEVVQGNZMF-HUUCEWRRSA-N -1 3 373.457 2.858 20 30 FFEDHM C#C[C@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001342182382 1050773660 /nfs/dbraw/zinc/77/36/60/1050773660.db2.gz HEQYKTBGKCVVPU-KRWDZBQOSA-N -1 3 374.448 2.790 20 30 FFEDHM C#C[C@@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001342182383 1050774625 /nfs/dbraw/zinc/77/46/25/1050774625.db2.gz HEQYKTBGKCVVPU-QGZVFWFLSA-N -1 3 374.448 2.790 20 30 FFEDHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCSCC1 ZINC001340405306 1050799453 /nfs/dbraw/zinc/79/94/53/1050799453.db2.gz FICPGUAFAXEBCD-UHFFFAOYSA-N -1 3 368.466 2.576 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001342854955 1051462709 /nfs/dbraw/zinc/46/27/09/1051462709.db2.gz XWKHMWXDBXCIJI-LLVKDONJSA-N -1 3 360.443 2.911 20 30 FFEDHM N#CCCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1 ZINC001342965630 1051580713 /nfs/dbraw/zinc/58/07/13/1051580713.db2.gz IYSINZQCOOSPRV-UHFFFAOYSA-N -1 3 373.409 2.967 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCN(C)c2ccccc2C1 ZINC001343639151 1052350147 /nfs/dbraw/zinc/35/01/47/1052350147.db2.gz GTPBZTJBCOATHE-UHFFFAOYSA-N -1 3 366.425 2.671 20 30 FFEDHM CO[C@@H](C[C@@H](NCc1cc(C#N)ccc1Br)C(=O)[O-])C1CC1 ZINC001335194727 1053252951 /nfs/dbraw/zinc/25/29/51/1053252951.db2.gz ZWYVECIHSIJDIY-CABCVRRESA-N -1 3 367.243 2.679 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccsc2C#N)cc1OC ZINC001543319587 1071446620 /nfs/dbraw/zinc/44/66/20/1071446620.db2.gz SGRHGNFBMFBSMW-UHFFFAOYSA-N -1 3 365.436 2.642 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCc2sccc2C1 ZINC001356152389 1055337571 /nfs/dbraw/zinc/33/75/71/1055337571.db2.gz CDPNUUIFVGBVTN-UHFFFAOYSA-N -1 3 361.862 2.917 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCc2sccc2C1 ZINC001356152389 1055337585 /nfs/dbraw/zinc/33/75/85/1055337585.db2.gz CDPNUUIFVGBVTN-UHFFFAOYSA-N -1 3 361.862 2.917 20 30 FFEDHM Cc1cc(C=O)c([O-])c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC001544447197 1071644886 /nfs/dbraw/zinc/64/48/86/1071644886.db2.gz XBSYCYQZSDFSET-UHFFFAOYSA-N -1 3 365.433 2.589 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccsc2[C@@H]1C ZINC001339606018 1056629209 /nfs/dbraw/zinc/62/92/09/1056629209.db2.gz FBIIKVMMDYAEIO-NSHDSACASA-N -1 3 354.439 2.812 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2cccs2)C1 ZINC001518606073 1058437272 /nfs/dbraw/zinc/43/72/72/1058437272.db2.gz FYXIRFPRELSAKC-LLVKDONJSA-N -1 3 373.873 2.676 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2cccs2)C1 ZINC001518606073 1058437282 /nfs/dbraw/zinc/43/72/82/1058437282.db2.gz FYXIRFPRELSAKC-LLVKDONJSA-N -1 3 373.873 2.676 20 30 FFEDHM C=CCCC1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)CC1 ZINC001513770949 1058544888 /nfs/dbraw/zinc/54/48/88/1058544888.db2.gz IUYOUSONMLJQSN-NVXWUHKLSA-N -1 3 354.450 2.812 20 30 FFEDHM CN(c1nnc(-c2nn(-c3ccccc3)cc2[O-])n1C)[C@H]1CCC[C@@H]1C#N ZINC001519523342 1058797298 /nfs/dbraw/zinc/79/72/98/1058797298.db2.gz HRJPNOLOLZSRDD-HIFRSBDPSA-N -1 3 363.425 2.502 20 30 FFEDHM O=C(CCOc1ccccc1-c1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000848137271 1059110977 /nfs/dbraw/zinc/11/09/77/1059110977.db2.gz BXKQVGMSPBNRJR-QGZVFWFLSA-N -1 3 354.406 2.619 20 30 FFEDHM CCCCN([O-])C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001458025625 1060493337 /nfs/dbraw/zinc/49/33/37/1060493337.db2.gz WOZXQALLBKOIJF-ZDUSSCGKSA-N -1 3 355.232 2.820 20 30 FFEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)[C@H]1CCCO1 ZINC001517658043 1060583280 /nfs/dbraw/zinc/58/32/80/1060583280.db2.gz UBPDOAGIMXIMET-QWHCGFSZSA-N -1 3 358.182 2.838 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1Cc2ccc(O)cc2C1 ZINC001355975084 1060773544 /nfs/dbraw/zinc/77/35/44/1060773544.db2.gz DEUZEUWCVSERQH-UHFFFAOYSA-N -1 3 357.805 2.519 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1Cc2ccc(O)cc2C1 ZINC001355975084 1060773557 /nfs/dbraw/zinc/77/35/57/1060773557.db2.gz DEUZEUWCVSERQH-UHFFFAOYSA-N -1 3 357.805 2.519 20 30 FFEDHM C=CCCC1(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CCCC1 ZINC001475489580 1061111932 /nfs/dbraw/zinc/11/19/32/1061111932.db2.gz VCWQEXHGBJUXDT-UHFFFAOYSA-N -1 3 357.501 2.906 20 30 FFEDHM Cc1nn(C)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1C#N ZINC001531926079 1062923609 /nfs/dbraw/zinc/92/36/09/1062923609.db2.gz ZBJQZSHWYWZBNR-UHFFFAOYSA-N -1 3 370.188 2.585 20 30 FFEDHM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N[C@@H]1CCCN([O-])C1=O ZINC001465219862 1063015183 /nfs/dbraw/zinc/01/51/83/1063015183.db2.gz HSLATRUUEAHZNP-CQSZACIVSA-N -1 3 360.345 2.515 20 30 FFEDHM CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@@H](C)CC#N ZINC001577520611 1078373511 /nfs/dbraw/zinc/37/35/11/1078373511.db2.gz ZYZAZJQCCXITNY-ZDUSSCGKSA-N -1 3 365.445 2.664 20 30 FFEDHM CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@@H](C)CC#N ZINC001577520611 1078373516 /nfs/dbraw/zinc/37/35/16/1078373516.db2.gz ZYZAZJQCCXITNY-ZDUSSCGKSA-N -1 3 365.445 2.664 20 30 FFEDHM COc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001579898629 1078710150 /nfs/dbraw/zinc/71/01/50/1078710150.db2.gz QPRBEALSTAOQKB-INIZCTEOSA-N -1 3 362.393 2.650 20 30 FFEDHM COc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001579898629 1078710153 /nfs/dbraw/zinc/71/01/53/1078710153.db2.gz QPRBEALSTAOQKB-INIZCTEOSA-N -1 3 362.393 2.650 20 30 FFEDHM N#CC1(c2ccc(C(=O)Nc3cnc(Cl)cc3-c3nnn[n-]3)cc2)CC1 ZINC001581857207 1079008530 /nfs/dbraw/zinc/00/85/30/1079008530.db2.gz SUKSQGLTTOFIHQ-UHFFFAOYSA-N -1 3 365.784 2.723 20 30 FFEDHM N#CC1(c2ccc(C(=O)Nc3cnc(Cl)cc3-c3nn[n-]n3)cc2)CC1 ZINC001581857207 1079008539 /nfs/dbraw/zinc/00/85/39/1079008539.db2.gz SUKSQGLTTOFIHQ-UHFFFAOYSA-N -1 3 365.784 2.723 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)c3ccc4c(-c5nnn[n-]5)c[nH]c4c3)CC2)c1 ZINC001581875093 1079012999 /nfs/dbraw/zinc/01/29/99/1079012999.db2.gz VGADCBBWJCDVPK-UHFFFAOYSA-N -1 3 369.388 2.639 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)c3ccc4c(-c5nn[n-]n5)c[nH]c4c3)CC2)c1 ZINC001581875093 1079013005 /nfs/dbraw/zinc/01/30/05/1079013005.db2.gz VGADCBBWJCDVPK-UHFFFAOYSA-N -1 3 369.388 2.639 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc2ccc(Br)cc2c1 ZINC001556782459 1075775549 /nfs/dbraw/zinc/77/55/49/1075775549.db2.gz IQXUASXGXLDULE-AWEZNQCLSA-N -1 3 363.211 2.712 20 30 FFEDHM C#CCCCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001573189799 1077577432 /nfs/dbraw/zinc/57/74/32/1077577432.db2.gz AYCVUSQMBBVGDM-DLBZAZTESA-N -1 3 356.466 2.991 20 30 FFEDHM C=CCN(c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC(C)C)C1CC1 ZINC001573342319 1077675230 /nfs/dbraw/zinc/67/52/30/1077675230.db2.gz YMCUUFTWUDGHQO-UHFFFAOYSA-N -1 3 364.457 2.936 20 30 FFEDHM C=CCN(c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC(C)C)C1CC1 ZINC001573342319 1077675232 /nfs/dbraw/zinc/67/52/32/1077675232.db2.gz YMCUUFTWUDGHQO-UHFFFAOYSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001573703198 1077767688 /nfs/dbraw/zinc/76/76/88/1077767688.db2.gz JYWQUYQVXCTMRP-ZOCZFRKYSA-N -1 3 356.466 2.915 20 30 FFEDHM C#C[C@H](C)N(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C/C=C\CC ZINC001588325982 1079983948 /nfs/dbraw/zinc/98/39/48/1079983948.db2.gz AXDJJXAQVFYEDF-DANTVBBOSA-N -1 3 362.441 2.549 20 30 FFEDHM C#C[C@H](C)N(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C/C=C\CC ZINC001588325982 1079983957 /nfs/dbraw/zinc/98/39/57/1079983957.db2.gz AXDJJXAQVFYEDF-DANTVBBOSA-N -1 3 362.441 2.549 20 30 FFEDHM C#C[C@@H](Nc1nnc(C)c(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001588329175 1079985215 /nfs/dbraw/zinc/98/52/15/1079985215.db2.gz ZKVAZQFJNWZEIM-CYBMUJFWSA-N -1 3 357.780 2.852 20 30 FFEDHM C#C[C@@H](Nc1nnc(C)c(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001588329175 1079985220 /nfs/dbraw/zinc/98/52/20/1079985220.db2.gz ZKVAZQFJNWZEIM-CYBMUJFWSA-N -1 3 357.780 2.852 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588329951 1079985246 /nfs/dbraw/zinc/98/52/46/1079985246.db2.gz ROHUWZDVPIAVPK-AWEZNQCLSA-N -1 3 354.320 2.641 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588329951 1079985254 /nfs/dbraw/zinc/98/52/54/1079985254.db2.gz ROHUWZDVPIAVPK-AWEZNQCLSA-N -1 3 354.320 2.641 20 30 FFEDHM C#CCC1(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588334976 1079989403 /nfs/dbraw/zinc/98/94/03/1079989403.db2.gz RRBJBSSDSMGRBG-UHFFFAOYSA-N -1 3 354.410 2.763 20 30 FFEDHM C#CCC1(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588334976 1079989408 /nfs/dbraw/zinc/98/94/08/1079989408.db2.gz RRBJBSSDSMGRBG-UHFFFAOYSA-N -1 3 354.410 2.763 20 30 FFEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)c(C)n1)[C@@H]1CCCc2ccccc21 ZINC001588348533 1079992688 /nfs/dbraw/zinc/99/26/88/1079992688.db2.gz AKQLMCPFTDDZEM-LJQANCHMSA-N -1 3 372.432 2.723 20 30 FFEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)c(C)n1)[C@@H]1CCCc2ccccc21 ZINC001588348533 1079992694 /nfs/dbraw/zinc/99/26/94/1079992694.db2.gz AKQLMCPFTDDZEM-LJQANCHMSA-N -1 3 372.432 2.723 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC001588368825 1079995407 /nfs/dbraw/zinc/99/54/07/1079995407.db2.gz YPXLUCZOGALGKW-HNNXBMFYSA-N -1 3 371.322 2.881 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC001588368825 1079995414 /nfs/dbraw/zinc/99/54/14/1079995414.db2.gz YPXLUCZOGALGKW-HNNXBMFYSA-N -1 3 371.322 2.881 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588392669 1080005992 /nfs/dbraw/zinc/00/59/92/1080005992.db2.gz FRFYGOBGAVUAGH-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588392669 1080006001 /nfs/dbraw/zinc/00/60/01/1080006001.db2.gz FRFYGOBGAVUAGH-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588400681 1080010587 /nfs/dbraw/zinc/01/05/87/1080010587.db2.gz DOPPKUNIVSKFHL-COXVUDFISA-N -1 3 370.457 2.550 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588400681 1080010596 /nfs/dbraw/zinc/01/05/96/1080010596.db2.gz DOPPKUNIVSKFHL-COXVUDFISA-N -1 3 370.457 2.550 20 30 FFEDHM C=C(C)[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC001588400619 1080010781 /nfs/dbraw/zinc/01/07/81/1080010781.db2.gz BYGOAHGGUFDITD-INIZCTEOSA-N -1 3 370.363 2.896 20 30 FFEDHM C=C(C)[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC001588400619 1080010788 /nfs/dbraw/zinc/01/07/88/1080010788.db2.gz BYGOAHGGUFDITD-INIZCTEOSA-N -1 3 370.363 2.896 20 30 FFEDHM C=C(C)CCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588409188 1080011606 /nfs/dbraw/zinc/01/16/06/1080011606.db2.gz BNOVXOJLHYRPHV-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588409188 1080011614 /nfs/dbraw/zinc/01/16/14/1080011614.db2.gz BNOVXOJLHYRPHV-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588412588 1080014891 /nfs/dbraw/zinc/01/48/91/1080014891.db2.gz YETKTGQZUYNHDF-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588412588 1080014897 /nfs/dbraw/zinc/01/48/97/1080014897.db2.gz YETKTGQZUYNHDF-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588412226 1080015288 /nfs/dbraw/zinc/01/52/88/1080015288.db2.gz UHLCIDLAGCNJON-MRXNPFEDSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588412226 1080015297 /nfs/dbraw/zinc/01/52/97/1080015297.db2.gz UHLCIDLAGCNJON-MRXNPFEDSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@H](C)C1CC1 ZINC001588429309 1080024669 /nfs/dbraw/zinc/02/46/69/1080024669.db2.gz HIAFWDHMLTWWNC-CYBMUJFWSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@H](C)C1CC1 ZINC001588429309 1080024679 /nfs/dbraw/zinc/02/46/79/1080024679.db2.gz HIAFWDHMLTWWNC-CYBMUJFWSA-N -1 3 364.457 2.936 20 30 FFEDHM C#CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc1 ZINC001588458166 1080034656 /nfs/dbraw/zinc/03/46/56/1080034656.db2.gz KGCYBSPVYKNKCT-LJQANCHMSA-N -1 3 355.390 2.718 20 30 FFEDHM C=C1CCN(c2nnc(Cc3cccc(-c4nnn[n-]4)c3C)n2CC)CC1 ZINC001588462945 1080037885 /nfs/dbraw/zinc/03/78/85/1080037885.db2.gz UUOOSFROGXZOMP-UHFFFAOYSA-N -1 3 364.457 2.534 20 30 FFEDHM C=C1CCN(c2nnc(Cc3cccc(-c4nn[n-]n4)c3C)n2CC)CC1 ZINC001588462945 1080037895 /nfs/dbraw/zinc/03/78/95/1080037895.db2.gz UUOOSFROGXZOMP-UHFFFAOYSA-N -1 3 364.457 2.534 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588474052 1080040140 /nfs/dbraw/zinc/04/01/40/1080040140.db2.gz BOWWNYMLSXMIHE-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588474052 1080040147 /nfs/dbraw/zinc/04/01/47/1080040147.db2.gz BOWWNYMLSXMIHE-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001588480896 1080044526 /nfs/dbraw/zinc/04/45/26/1080044526.db2.gz FGXRTJBRYSAJPE-OCCSQVGLSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001588480896 1080044535 /nfs/dbraw/zinc/04/45/35/1080044535.db2.gz FGXRTJBRYSAJPE-OCCSQVGLSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588483536 1080045806 /nfs/dbraw/zinc/04/58/06/1080045806.db2.gz MTTWDSZIVPEMPK-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588483536 1080045819 /nfs/dbraw/zinc/04/58/19/1080045819.db2.gz MTTWDSZIVPEMPK-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588492269 1080053820 /nfs/dbraw/zinc/05/38/20/1080053820.db2.gz QEPHNTPUCYOQGY-KUHUBIRLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001588492269 1080053830 /nfs/dbraw/zinc/05/38/30/1080053830.db2.gz QEPHNTPUCYOQGY-KUHUBIRLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588518903 1080070511 /nfs/dbraw/zinc/07/05/11/1080070511.db2.gz NPRAWPSLBRJINC-KUHUBIRLSA-N -1 3 359.433 2.810 20 30 FFEDHM C=C[C@H](CC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588518903 1080070518 /nfs/dbraw/zinc/07/05/18/1080070518.db2.gz NPRAWPSLBRJINC-KUHUBIRLSA-N -1 3 359.433 2.810 20 30 FFEDHM C=C[C@H](CC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588519269 1080071683 /nfs/dbraw/zinc/07/16/83/1080071683.db2.gz WPUCOSUPCDEVND-GFCCVEGCSA-N -1 3 350.382 2.569 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588521451 1080072598 /nfs/dbraw/zinc/07/25/98/1080072598.db2.gz NMFIJTHAMHJORH-QWHCGFSZSA-N -1 3 360.437 2.772 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588521451 1080072606 /nfs/dbraw/zinc/07/26/06/1080072606.db2.gz NMFIJTHAMHJORH-QWHCGFSZSA-N -1 3 360.437 2.772 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588521179 1080072625 /nfs/dbraw/zinc/07/26/25/1080072625.db2.gz JDIASLWLVGAMJY-AWEZNQCLSA-N -1 3 355.442 2.591 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588521179 1080072633 /nfs/dbraw/zinc/07/26/33/1080072633.db2.gz JDIASLWLVGAMJY-AWEZNQCLSA-N -1 3 355.442 2.591 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588522535 1080074728 /nfs/dbraw/zinc/07/47/28/1080074728.db2.gz AYVSODMZYMVCDT-UONOGXRCSA-N -1 3 374.514 2.611 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001588523063 1080076486 /nfs/dbraw/zinc/07/64/86/1080076486.db2.gz IGKSWUVUCXOWLR-GOEBONIOSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001588523063 1080076494 /nfs/dbraw/zinc/07/64/94/1080076494.db2.gz IGKSWUVUCXOWLR-GOEBONIOSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588524062 1080077032 /nfs/dbraw/zinc/07/70/32/1080077032.db2.gz OIQHTYSVSRYOCT-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588524062 1080077039 /nfs/dbraw/zinc/07/70/39/1080077039.db2.gz OIQHTYSVSRYOCT-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@H](CC)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001588525480 1080078057 /nfs/dbraw/zinc/07/80/57/1080078057.db2.gz HZQRHDBYARWVFX-LLVKDONJSA-N -1 3 355.377 2.732 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001588539704 1080085621 /nfs/dbraw/zinc/08/56/21/1080085621.db2.gz VWJLWYQFVZGSJN-CYBMUJFWSA-N -1 3 363.425 2.568 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001588539704 1080085631 /nfs/dbraw/zinc/08/56/31/1080085631.db2.gz VWJLWYQFVZGSJN-CYBMUJFWSA-N -1 3 363.425 2.568 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CNc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001588556592 1080094178 /nfs/dbraw/zinc/09/41/78/1080094178.db2.gz OAYQTFQVDWNJSP-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CNc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001588556592 1080094187 /nfs/dbraw/zinc/09/41/87/1080094187.db2.gz OAYQTFQVDWNJSP-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)N(C)CC[C@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001588563072 1080098544 /nfs/dbraw/zinc/09/85/44/1080098544.db2.gz WSTXNVSWXKDDRX-HNNXBMFYSA-N -1 3 357.462 2.513 20 30 FFEDHM C=CCCC(=O)N(C)CC[C@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001588563072 1080098550 /nfs/dbraw/zinc/09/85/50/1080098550.db2.gz WSTXNVSWXKDDRX-HNNXBMFYSA-N -1 3 357.462 2.513 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588560652 1080098811 /nfs/dbraw/zinc/09/88/11/1080098811.db2.gz TYNLDQNRIRZYRZ-HOCLYGCPSA-N -1 3 370.457 2.809 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588560652 1080098820 /nfs/dbraw/zinc/09/88/20/1080098820.db2.gz TYNLDQNRIRZYRZ-HOCLYGCPSA-N -1 3 370.457 2.809 20 30 FFEDHM C=CC[C@H]1CCN1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC001588563860 1080099496 /nfs/dbraw/zinc/09/94/96/1080099496.db2.gz CTZNQOOQTJWHNF-LBPRGKRZSA-N -1 3 372.498 2.786 20 30 FFEDHM C=CC[C@H]1CCN1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC001588563860 1080099504 /nfs/dbraw/zinc/09/95/04/1080099504.db2.gz CTZNQOOQTJWHNF-LBPRGKRZSA-N -1 3 372.498 2.786 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588582378 1080108777 /nfs/dbraw/zinc/10/87/77/1080108777.db2.gz ITYBEERHOGLAJX-HNNXBMFYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001588582378 1080108782 /nfs/dbraw/zinc/10/87/82/1080108782.db2.gz ITYBEERHOGLAJX-HNNXBMFYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC001588585141 1080110023 /nfs/dbraw/zinc/11/00/23/1080110023.db2.gz KPEVZCPZNUCPEH-RTBURBONSA-N -1 3 371.481 2.537 20 30 FFEDHM C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001588594922 1080117294 /nfs/dbraw/zinc/11/72/94/1080117294.db2.gz VZTQQTOIKZIXEK-SNPRPXQTSA-N -1 3 372.498 2.506 20 30 FFEDHM C=CCCc1ccc(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001588620779 1080124140 /nfs/dbraw/zinc/12/41/40/1080124140.db2.gz GXEAJKCCNBWXSC-UHFFFAOYSA-N -1 3 356.407 2.753 20 30 FFEDHM C=CCCc1ccc(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001588620779 1080124141 /nfs/dbraw/zinc/12/41/41/1080124141.db2.gz GXEAJKCCNBWXSC-UHFFFAOYSA-N -1 3 356.407 2.753 20 30 FFEDHM C=CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC001588627681 1080127107 /nfs/dbraw/zinc/12/71/07/1080127107.db2.gz FTEFDONGSRDXKY-UHFFFAOYSA-N -1 3 354.439 2.555 20 30 FFEDHM C=CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC001588627681 1080127114 /nfs/dbraw/zinc/12/71/14/1080127114.db2.gz FTEFDONGSRDXKY-UHFFFAOYSA-N -1 3 354.439 2.555 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)OCCC(C)C ZINC001588639577 1080132265 /nfs/dbraw/zinc/13/22/65/1080132265.db2.gz ULVSDCVSRAWLNI-OAHLLOKOSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)OCCC(C)C ZINC001588639577 1080132270 /nfs/dbraw/zinc/13/22/70/1080132270.db2.gz ULVSDCVSRAWLNI-OAHLLOKOSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC001588639828 1080132896 /nfs/dbraw/zinc/13/28/96/1080132896.db2.gz XKLCVHAORXZBHS-INIZCTEOSA-N -1 3 369.469 2.975 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC001588639828 1080132898 /nfs/dbraw/zinc/13/28/98/1080132898.db2.gz XKLCVHAORXZBHS-INIZCTEOSA-N -1 3 369.469 2.975 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccsc1C ZINC001588639619 1080133086 /nfs/dbraw/zinc/13/30/86/1080133086.db2.gz DIIVLDMAUCEWGO-UHFFFAOYSA-N -1 3 353.451 2.994 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccsc1C ZINC001588639619 1080133088 /nfs/dbraw/zinc/13/30/88/1080133088.db2.gz DIIVLDMAUCEWGO-UHFFFAOYSA-N -1 3 353.451 2.994 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c(C)noc1Cl ZINC001588640457 1080133334 /nfs/dbraw/zinc/13/33/34/1080133334.db2.gz SCHDCLFIBCZAMN-UHFFFAOYSA-N -1 3 372.816 2.574 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c(C)noc1Cl ZINC001588640457 1080133339 /nfs/dbraw/zinc/13/33/39/1080133339.db2.gz SCHDCLFIBCZAMN-UHFFFAOYSA-N -1 3 372.816 2.574 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588688616 1080154793 /nfs/dbraw/zinc/15/47/93/1080154793.db2.gz MDDBWEFXLOLXSA-SANMLTNESA-N -1 3 371.397 2.859 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588688616 1080154795 /nfs/dbraw/zinc/15/47/95/1080154795.db2.gz MDDBWEFXLOLXSA-SANMLTNESA-N -1 3 371.397 2.859 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001588697269 1080159188 /nfs/dbraw/zinc/15/91/88/1080159188.db2.gz UKJMKUQUPSPXAR-CALCHBBNSA-N -1 3 374.452 2.714 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001588697269 1080159191 /nfs/dbraw/zinc/15/91/91/1080159191.db2.gz UKJMKUQUPSPXAR-CALCHBBNSA-N -1 3 374.452 2.714 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc2n1 ZINC001588717276 1080168321 /nfs/dbraw/zinc/16/83/21/1080168321.db2.gz XGYXMVTUPLSXRJ-UHFFFAOYSA-N -1 3 359.393 2.584 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc2n1 ZINC001588717276 1080168327 /nfs/dbraw/zinc/16/83/27/1080168327.db2.gz XGYXMVTUPLSXRJ-UHFFFAOYSA-N -1 3 359.393 2.584 20 30 FFEDHM CC#CCCCC(=O)O[C@@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001588746239 1080178883 /nfs/dbraw/zinc/17/88/83/1080178883.db2.gz ORKOQQULTBTPKA-OAHLLOKOSA-N -1 3 371.416 2.711 20 30 FFEDHM CC#CCCCC(=O)O[C@@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001588746239 1080178887 /nfs/dbraw/zinc/17/88/87/1080178887.db2.gz ORKOQQULTBTPKA-OAHLLOKOSA-N -1 3 371.416 2.711 20 30 FFEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCc2c(CC#N)cccc2C1 ZINC001588906768 1080255366 /nfs/dbraw/zinc/25/53/66/1080255366.db2.gz FJSGQAIUWJECKK-UHFFFAOYSA-N -1 3 358.405 2.698 20 30 FFEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCc2c(CC#N)cccc2C1 ZINC001588906768 1080255376 /nfs/dbraw/zinc/25/53/76/1080255376.db2.gz FJSGQAIUWJECKK-UHFFFAOYSA-N -1 3 358.405 2.698 20 30 FFEDHM CC(=O)c1ccc(C#N)cc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588912308 1080259491 /nfs/dbraw/zinc/25/94/91/1080259491.db2.gz TZROWIDVXMKORT-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(C#N)cc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588912308 1080259494 /nfs/dbraw/zinc/25/94/94/1080259494.db2.gz TZROWIDVXMKORT-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001588934384 1080271572 /nfs/dbraw/zinc/27/15/72/1080271572.db2.gz KMVACXLFAFVLHY-IYVNWDGISA-N -1 3 372.388 2.765 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001588934384 1080271580 /nfs/dbraw/zinc/27/15/80/1080271580.db2.gz KMVACXLFAFVLHY-IYVNWDGISA-N -1 3 372.388 2.765 20 30 FFEDHM C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589438884 1080532752 /nfs/dbraw/zinc/53/27/52/1080532752.db2.gz DCOGJLCOEDTBAW-NIKGAXFTSA-N -1 3 363.417 2.685 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cscc1C#N ZINC001589754978 1080707967 /nfs/dbraw/zinc/70/79/67/1080707967.db2.gz BALXUVJOPZBRLT-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cscc1C#N ZINC001589754978 1080707968 /nfs/dbraw/zinc/70/79/68/1080707968.db2.gz BALXUVJOPZBRLT-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM C[C@H](C[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1)NC(=O)C#CC(C)(C)C ZINC001589800275 1080755564 /nfs/dbraw/zinc/75/55/64/1080755564.db2.gz XORVEXXAOWJFBQ-CHWSQXEVSA-N -1 3 372.448 2.751 20 30 FFEDHM C[C@H](C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1)NC(=O)C#CC(C)(C)C ZINC001589800275 1080755568 /nfs/dbraw/zinc/75/55/68/1080755568.db2.gz XORVEXXAOWJFBQ-CHWSQXEVSA-N -1 3 372.448 2.751 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001589915322 1080857773 /nfs/dbraw/zinc/85/77/73/1080857773.db2.gz GXTMSTGKDJXGEN-CXAGYDPISA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC001589915577 1080857865 /nfs/dbraw/zinc/85/78/65/1080857865.db2.gz KTEXJPFPIDTHRS-ZRGWGRIASA-N -1 3 374.448 2.857 20 30 FFEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(F)cc1F ZINC001590037010 1080961169 /nfs/dbraw/zinc/96/11/69/1080961169.db2.gz DXKJSHHDYSFGOT-SSDOTTSWSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(F)cc1F ZINC001590037010 1080961172 /nfs/dbraw/zinc/96/11/72/1080961172.db2.gz DXKJSHHDYSFGOT-SSDOTTSWSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@]1(CNc2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)CCCO1 ZINC001590135855 1081042187 /nfs/dbraw/zinc/04/21/87/1081042187.db2.gz XAJMKCBAEJJGDJ-LJQANCHMSA-N -1 3 367.457 2.773 20 30 FFEDHM C[C@]1(CNc2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)CCCO1 ZINC001590135855 1081042195 /nfs/dbraw/zinc/04/21/95/1081042195.db2.gz XAJMKCBAEJJGDJ-LJQANCHMSA-N -1 3 367.457 2.773 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590238893 1081114271 /nfs/dbraw/zinc/11/42/71/1081114271.db2.gz JSDNYFXPCXJJKK-BMHLXIAXSA-N -1 3 350.426 2.559 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590238893 1081114272 /nfs/dbraw/zinc/11/42/72/1081114272.db2.gz JSDNYFXPCXJJKK-BMHLXIAXSA-N -1 3 350.426 2.559 20 30 FFEDHM C[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC001590285205 1081140088 /nfs/dbraw/zinc/14/00/88/1081140088.db2.gz PLWVGHCKWOZOLY-KBXCAEBGSA-N -1 3 372.432 2.695 20 30 FFEDHM C[C@@]1(C[C@@H]2CCCN2c2ccc(C(F)(F)F)cc2C#N)NC(=O)[N-]C1=O ZINC000286384084 257034303 /nfs/dbraw/zinc/03/43/03/257034303.db2.gz NHLCULHFRSVAFR-LRDDRELGSA-N -1 3 366.343 2.534 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1C[C@H](C)O ZINC000287520562 257093805 /nfs/dbraw/zinc/09/38/05/257093805.db2.gz VGCVIXIXUMAERA-XJKSGUPXSA-N -1 3 359.470 2.750 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]C2CCC(Oc3ccc(C#N)cn3)CC2)o1 ZINC000332245211 258220859 /nfs/dbraw/zinc/22/08/59/258220859.db2.gz AQDAOWJAMGBZMS-UHFFFAOYSA-N -1 3 361.423 2.523 20 30 FFEDHM Cc1ccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000065574070 506325578 /nfs/dbraw/zinc/32/55/78/506325578.db2.gz NZOGMUCFEMXMCD-UHFFFAOYSA-N -1 3 351.450 2.772 20 30 FFEDHM CCC(C#N)(CC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000602355956 521299540 /nfs/dbraw/zinc/29/95/40/521299540.db2.gz HIYLOWQZPXTWDN-UHFFFAOYSA-N -1 3 367.169 2.898 20 30 FFEDHM N#CC(=C([O-])c1cccc(NC(=O)C2CC2)c1)c1nnc2n1CCCCC2 ZINC000041510034 506526460 /nfs/dbraw/zinc/52/64/60/506526460.db2.gz VCKTUWYCKQPTKF-MRXNPFEDSA-N -1 3 363.421 2.843 20 30 FFEDHM CCn1c2ccccc2nc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000010651839 506749131 /nfs/dbraw/zinc/74/91/31/506749131.db2.gz JLFBCJLXWILPGS-UHFFFAOYSA-N -1 3 363.421 2.804 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2c1cccc2F ZINC000055683662 506824793 /nfs/dbraw/zinc/82/47/93/506824793.db2.gz IFHUHLQJTUVCGV-GOSISDBHSA-N -1 3 353.397 2.739 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000063777152 507770150 /nfs/dbraw/zinc/77/01/50/507770150.db2.gz PAAZFZOVGGYOSE-UHFFFAOYSA-N -1 3 362.389 2.884 20 30 FFEDHM CCCc1c(NC([O-])=NOCC(C)(C)O)cnn1-c1cccc(C#N)c1 ZINC000375497993 512361108 /nfs/dbraw/zinc/36/11/08/512361108.db2.gz UZAWUEFQFBYHER-UHFFFAOYSA-N -1 3 357.414 2.520 20 30 FFEDHM CCCc1c(NC(=O)[N-]OCC(C)(C)O)cnn1-c1cccc(C#N)c1 ZINC000375497993 512361114 /nfs/dbraw/zinc/36/11/14/512361114.db2.gz UZAWUEFQFBYHER-UHFFFAOYSA-N -1 3 357.414 2.520 20 30 FFEDHM COCCCOc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000076841973 508258000 /nfs/dbraw/zinc/25/80/00/508258000.db2.gz KNBOAYJSRZVJAW-QGZVFWFLSA-N -1 3 368.437 2.910 20 30 FFEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673568 508335468 /nfs/dbraw/zinc/33/54/68/508335468.db2.gz WVMFQFROIPLKNE-UHFFFAOYSA-N -1 3 363.826 2.681 20 30 FFEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc([O-])c1F ZINC000128235599 508565957 /nfs/dbraw/zinc/56/59/57/508565957.db2.gz IFYRYADABMDTBJ-UHFFFAOYSA-N -1 3 353.357 2.634 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccccc1SCC(N)=O ZINC000122963314 508615074 /nfs/dbraw/zinc/61/50/74/508615074.db2.gz DXGLLWWQRWGWRI-ZDUSSCGKSA-N -1 3 364.430 2.641 20 30 FFEDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157830808 508619036 /nfs/dbraw/zinc/61/90/36/508619036.db2.gz PCXWOLCQZFZDMZ-SECBINFHSA-N -1 3 353.831 2.726 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OCCF)c1 ZINC000153839752 508660193 /nfs/dbraw/zinc/66/01/93/508660193.db2.gz CSFAEXBIJRXWAH-UHFFFAOYSA-N -1 3 357.385 2.783 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccc([N+](=O)[O-])c1 ZINC000154333889 508762473 /nfs/dbraw/zinc/76/24/73/508762473.db2.gz PRLKUBHOZASASK-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1n1cccn1 ZINC000124330016 508816385 /nfs/dbraw/zinc/81/63/85/508816385.db2.gz FYJTWSVGYPBPDH-LSDHHAIUSA-N -1 3 364.858 2.870 20 30 FFEDHM C=CCN1C(=O)c2ccc(C(=O)[N-]c3nnc(C(F)F)s3)cc2C1=O ZINC000144518648 508839091 /nfs/dbraw/zinc/83/90/91/508839091.db2.gz WGXBCQGFOCBSGJ-UHFFFAOYSA-N -1 3 364.333 2.510 20 30 FFEDHM CC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000120127224 508933615 /nfs/dbraw/zinc/93/36/15/508933615.db2.gz TXPAWSMVXRXJJB-ZDUSSCGKSA-N -1 3 361.398 2.658 20 30 FFEDHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000120160403 508940824 /nfs/dbraw/zinc/94/08/24/508940824.db2.gz NUDSHVLMJJRKEC-SNVBAGLBSA-N -1 3 358.810 2.877 20 30 FFEDHM C=C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000155732909 509060833 /nfs/dbraw/zinc/06/08/33/509060833.db2.gz QHRQOCDSOGTEDM-SNVBAGLBSA-N -1 3 356.494 2.592 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000156020586 509112091 /nfs/dbraw/zinc/11/20/91/509112091.db2.gz JBXKSBHLVITMGK-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000126904111 509144601 /nfs/dbraw/zinc/14/46/01/509144601.db2.gz PVTNLQQOTOWNCH-UHFFFAOYSA-N -1 3 369.078 2.984 20 30 FFEDHM N#C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000182410208 509223315 /nfs/dbraw/zinc/22/33/15/509223315.db2.gz JQNZWGLPTLZXAT-OALUTQOASA-N -1 3 363.417 2.672 20 30 FFEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2)o1 ZINC000162680769 509279472 /nfs/dbraw/zinc/27/94/72/509279472.db2.gz BNJOJMMCUOAMCV-HNNXBMFYSA-N -1 3 362.393 2.853 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000163320821 509363222 /nfs/dbraw/zinc/36/32/22/509363222.db2.gz DBILTZAXYLVZQH-IRXDYDNUSA-N -1 3 360.410 2.896 20 30 FFEDHM N#Cc1ccc(CSc2nc3n[nH]cc3c(=O)[n-]2)c(Br)c1 ZINC000183143625 509624768 /nfs/dbraw/zinc/62/47/68/509624768.db2.gz MNUQGEHSTBVRLD-UHFFFAOYSA-N -1 3 362.212 2.573 20 30 FFEDHM CCC[C@@]1(COC)CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000192750194 509627412 /nfs/dbraw/zinc/62/74/12/509627412.db2.gz KUONPRKDIYXWTN-FQEVSTJZSA-N -1 3 359.470 2.604 20 30 FFEDHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000180176177 509794810 /nfs/dbraw/zinc/79/48/10/509794810.db2.gz HXAMUZSGBRCLFW-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000186659388 509832545 /nfs/dbraw/zinc/83/25/45/509832545.db2.gz FGHOKLKHEAQKKE-LJQANCHMSA-N -1 3 364.449 2.572 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CCCCC#N ZINC000268666057 510061428 /nfs/dbraw/zinc/06/14/28/510061428.db2.gz YNPKFWOBFDXPLI-MRXNPFEDSA-N -1 3 366.483 2.553 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000268961481 510162972 /nfs/dbraw/zinc/16/29/72/510162972.db2.gz IMZPXZDAQCXZOM-GFCCVEGCSA-N -1 3 374.384 2.957 20 30 FFEDHM C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000190608827 510237817 /nfs/dbraw/zinc/23/78/17/510237817.db2.gz LYCIPOCMQCMWBC-SJCJKPOMSA-N -1 3 371.387 2.994 20 30 FFEDHM C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000190615060 510241008 /nfs/dbraw/zinc/24/10/08/510241008.db2.gz VDGYFNKBSUOXGV-UGSOOPFHSA-N -1 3 353.397 2.855 20 30 FFEDHM COCCn1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000190662896 510269749 /nfs/dbraw/zinc/26/97/49/510269749.db2.gz DQVYORBJSCWPBD-LLVKDONJSA-N -1 3 359.336 2.764 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(Br)c1 ZINC000187637847 510365157 /nfs/dbraw/zinc/36/51/57/510365157.db2.gz PFGQCKMDKULCSM-CYBMUJFWSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(Br)c1 ZINC000187637847 510365163 /nfs/dbraw/zinc/36/51/63/510365163.db2.gz PFGQCKMDKULCSM-CYBMUJFWSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(Br)c1 ZINC000187637847 510365169 /nfs/dbraw/zinc/36/51/69/510365169.db2.gz PFGQCKMDKULCSM-CYBMUJFWSA-N -1 3 356.183 2.715 20 30 FFEDHM CCOc1cc(O)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000190972741 510443970 /nfs/dbraw/zinc/44/39/70/510443970.db2.gz SJYSHPPBKZENIQ-UHFFFAOYSA-N -1 3 355.394 2.539 20 30 FFEDHM COCCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCCC1 ZINC000185398477 510835448 /nfs/dbraw/zinc/83/54/48/510835448.db2.gz SHGINLCLWFISMD-UHFFFAOYSA-N -1 3 373.497 2.899 20 30 FFEDHM C=CC[C@@H]1N(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1(C)C ZINC000277892615 510976495 /nfs/dbraw/zinc/97/64/95/510976495.db2.gz FTHQXVLKZPELKL-HRAATJIYSA-N -1 3 369.465 2.948 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000294349249 511034125 /nfs/dbraw/zinc/03/41/25/511034125.db2.gz VIPQCGITCMXWIB-IBGZPJMESA-N -1 3 369.465 2.626 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000271048125 511068683 /nfs/dbraw/zinc/06/86/83/511068683.db2.gz RYZKFNOEXCLIJS-PBHICJAKSA-N -1 3 359.470 2.918 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC(=O)OC1CCCCC1 ZINC000282879205 511145226 /nfs/dbraw/zinc/14/52/26/511145226.db2.gz ATUWDICFNQAAFC-UHFFFAOYSA-N -1 3 373.453 2.591 20 30 FFEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@]3(C#N)CCc4ccccc4C3)cn21 ZINC000333165801 511180999 /nfs/dbraw/zinc/18/09/99/511180999.db2.gz MSOJJMWYYDFSQK-LIRRHRJNSA-N -1 3 370.478 2.510 20 30 FFEDHM Cc1cc(C)cc([C@H](O)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000283197010 511273815 /nfs/dbraw/zinc/27/38/15/511273815.db2.gz RCZRBCYYBTZLTJ-LJQANCHMSA-N -1 3 367.449 2.675 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)N(C)c1ccccc1 ZINC000298513073 511311650 /nfs/dbraw/zinc/31/16/50/511311650.db2.gz MOCRFGKOUYIJOG-AWEZNQCLSA-N -1 3 366.465 2.849 20 30 FFEDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000291816297 511349264 /nfs/dbraw/zinc/34/92/64/511349264.db2.gz ZXECKIVNNGPCJJ-AWEZNQCLSA-N -1 3 362.373 2.670 20 30 FFEDHM CC[C@H](COCC(F)(F)F)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000295526831 511434506 /nfs/dbraw/zinc/43/45/06/511434506.db2.gz WDXYZMYHAZOQLQ-GFCCVEGCSA-N -1 3 373.375 2.682 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]CC(=O)Nc1cccc2ccccc21 ZINC000295693406 511486014 /nfs/dbraw/zinc/48/60/14/511486014.db2.gz LULPTLCZHYEVKC-UHFFFAOYSA-N -1 3 359.451 2.638 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000363412543 511535580 /nfs/dbraw/zinc/53/55/80/511535580.db2.gz ZXTJBZIIOFMPRQ-QGZVFWFLSA-N -1 3 365.433 2.888 20 30 FFEDHM COCCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000299303047 511585127 /nfs/dbraw/zinc/58/51/27/511585127.db2.gz CHBQLVKWXNDFLE-UHFFFAOYSA-N -1 3 350.362 2.672 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000310054595 511770934 /nfs/dbraw/zinc/77/09/34/511770934.db2.gz UKFWHWLHOAPSMT-OAHLLOKOSA-N -1 3 361.492 2.563 20 30 FFEDHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000327651895 511880002 /nfs/dbraw/zinc/88/00/02/511880002.db2.gz WHMYGIGGRAFBMG-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000329166196 511997159 /nfs/dbraw/zinc/99/71/59/511997159.db2.gz HTAWKNJCQLHIEU-LBPRGKRZSA-N -1 3 353.325 2.570 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CCCC(F)(F)C2)NC(=O)[N-]C1=O ZINC000329283027 512020358 /nfs/dbraw/zinc/02/03/58/512020358.db2.gz NEVOQCGNZPDINR-JRPNMDOOSA-N -1 3 358.389 2.976 20 30 FFEDHM C[C@]1(C[C@H]2CCCN2C(=O)NC2CCC(F)(F)CC2)NC(=O)[N-]C1=O ZINC000329365268 512034133 /nfs/dbraw/zinc/03/41/33/512034133.db2.gz GIDLOMHHFOKFMY-IAQYHMDHSA-N -1 3 358.389 2.976 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000411361391 512598602 /nfs/dbraw/zinc/59/86/02/512598602.db2.gz UUFHXOISIPPXRP-UHFFFAOYSA-N -1 3 352.390 2.755 20 30 FFEDHM CC[C@H](NC(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(F)F ZINC000411563486 512690690 /nfs/dbraw/zinc/69/06/90/512690690.db2.gz CUVBEUWPBGMOHB-WCBMZHEXSA-N -1 3 374.256 2.844 20 30 FFEDHM CC[C@H](NC(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(F)F ZINC000411567903 512694486 /nfs/dbraw/zinc/69/44/86/512694486.db2.gz KBGVUSBWPUZKRF-WCBMZHEXSA-N -1 3 374.256 2.844 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc(-c2ccccc2)c[nH]1 ZINC000376275614 512744947 /nfs/dbraw/zinc/74/49/47/512744947.db2.gz QQTLGMAPJHKRLE-CQSZACIVSA-N -1 3 356.407 2.971 20 30 FFEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCC(C#N)(c3ccccn3)CC1)c2=O ZINC000374468876 512846400 /nfs/dbraw/zinc/84/64/00/512846400.db2.gz VDYQVKRVLYFLBO-UHFFFAOYSA-N -1 3 372.428 2.929 20 30 FFEDHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000439620338 513152705 /nfs/dbraw/zinc/15/27/05/513152705.db2.gz JVLDWEKRRHNVFO-UHFFFAOYSA-N -1 3 363.414 2.950 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(C)(F)F ZINC000451068786 513496093 /nfs/dbraw/zinc/49/60/93/513496093.db2.gz JAUVMYVSZJUTOZ-SSDOTTSWSA-N -1 3 353.188 2.643 20 30 FFEDHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451024897 513464017 /nfs/dbraw/zinc/46/40/17/513464017.db2.gz JQBOWQHXLXCIKD-UHFFFAOYSA-N -1 3 365.842 2.678 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)s1 ZINC000435428135 513581389 /nfs/dbraw/zinc/58/13/89/513581389.db2.gz QQBMNFIXARIKEB-UHFFFAOYSA-N -1 3 354.840 2.687 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)s1 ZINC000435435308 513586025 /nfs/dbraw/zinc/58/60/25/513586025.db2.gz ABMRHAGPANSSBL-UHFFFAOYSA-N -1 3 367.399 2.616 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)s1 ZINC000435435928 513586872 /nfs/dbraw/zinc/58/68/72/513586872.db2.gz CLSIYYWPRCMCFD-UHFFFAOYSA-N -1 3 363.464 2.815 20 30 FFEDHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435437796 513588567 /nfs/dbraw/zinc/58/85/67/513588567.db2.gz MINGQKBXUMWPTN-LBPRGKRZSA-N -1 3 358.485 2.656 20 30 FFEDHM COc1ccccc1OC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435440681 513590060 /nfs/dbraw/zinc/59/00/60/513590060.db2.gz YVLYPHQFUUPUGC-LBPRGKRZSA-N -1 3 366.464 2.622 20 30 FFEDHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000447934550 513630928 /nfs/dbraw/zinc/63/09/28/513630928.db2.gz ZBFFXXKIZAIXDZ-HNNXBMFYSA-N -1 3 355.891 2.610 20 30 FFEDHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ccc(C#N)cc1Cl ZINC000430360633 513634085 /nfs/dbraw/zinc/63/40/85/513634085.db2.gz UBLOZPCRQVJLQB-UHFFFAOYSA-N -1 3 369.855 2.776 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000416478254 513792742 /nfs/dbraw/zinc/79/27/42/513792742.db2.gz ZSXBWZQEWGRSLU-UHFFFAOYSA-N -1 3 365.199 2.644 20 30 FFEDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000416526405 513817506 /nfs/dbraw/zinc/81/75/06/513817506.db2.gz KSTOCGYNMTWHIU-TXEJJXNPSA-N -1 3 362.373 2.811 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCn1cnc2ccccc21 ZINC000443017699 513843671 /nfs/dbraw/zinc/84/36/71/513843671.db2.gz AMSLPBBINXAUHJ-UHFFFAOYSA-N -1 3 360.826 2.540 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000443017334 513843754 /nfs/dbraw/zinc/84/37/54/513843754.db2.gz ZJBHCCYNTVOUEF-AWEZNQCLSA-N -1 3 361.354 2.571 20 30 FFEDHM CCC1CCC(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000443019839 513844702 /nfs/dbraw/zinc/84/47/02/513844702.db2.gz QATSZGXHJHUBSL-UHFFFAOYSA-N -1 3 351.428 2.961 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCC(C)CC1 ZINC000443038922 513849002 /nfs/dbraw/zinc/84/90/02/513849002.db2.gz RESMSQGSYRMBNI-ZDUSSCGKSA-N -1 3 355.891 2.610 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1F ZINC000443075402 513864549 /nfs/dbraw/zinc/86/45/49/513864549.db2.gz UXKQOZCQXOVTCL-UHFFFAOYSA-N -1 3 372.780 2.847 20 30 FFEDHM COc1ccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000443092949 513869467 /nfs/dbraw/zinc/86/94/67/513869467.db2.gz KSQCOOVIMRLWIR-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443109248 513874230 /nfs/dbraw/zinc/87/42/30/513874230.db2.gz OYLHZVFLMRGKNH-LJQANCHMSA-N -1 3 365.433 2.839 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)Oc1ccccc1 ZINC000443123735 513879463 /nfs/dbraw/zinc/87/94/63/513879463.db2.gz NVQPMYVGNLYDMT-GFCCVEGCSA-N -1 3 350.827 2.957 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OC(C)C ZINC000443128345 513882119 /nfs/dbraw/zinc/88/21/19/513882119.db2.gz LLCZFTPPEUBSBR-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM C=C[C@@H](C)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436580745 513904558 /nfs/dbraw/zinc/90/45/58/513904558.db2.gz CVPIGPQMTXUSLF-CYBMUJFWSA-N -1 3 364.401 2.801 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OC(C)(C)C ZINC000443497980 513980733 /nfs/dbraw/zinc/98/07/33/513980733.db2.gz HKZFFFDIOCFRLZ-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000451802915 513990944 /nfs/dbraw/zinc/99/09/44/513990944.db2.gz OGTLZRDLFQJULG-ZDUSSCGKSA-N -1 3 359.875 3.000 20 30 FFEDHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000451811633 513994884 /nfs/dbraw/zinc/99/48/84/513994884.db2.gz BKALCGOKEPIKRZ-WFASDCNBSA-N -1 3 356.875 2.941 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000451910095 514062806 /nfs/dbraw/zinc/06/28/06/514062806.db2.gz MNIURTXLHRAEQV-NEPJUHHUSA-N -1 3 364.236 2.600 20 30 FFEDHM COC(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c[n-]1 ZINC000432006480 514064180 /nfs/dbraw/zinc/06/41/80/514064180.db2.gz JQOSZBOVHGJVGY-UHFFFAOYSA-N -1 3 367.283 2.866 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)c(C)c2)ccc1C#N ZINC000414391113 514087291 /nfs/dbraw/zinc/08/72/91/514087291.db2.gz ZZKHSZHUJHEZHP-UHFFFAOYSA-N -1 3 373.478 2.916 20 30 FFEDHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)o1 ZINC000451957781 514095003 /nfs/dbraw/zinc/09/50/03/514095003.db2.gz KEPUZQHNGCNJHA-UHFFFAOYSA-N -1 3 353.831 2.825 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OCC ZINC000451987302 514112203 /nfs/dbraw/zinc/11/22/03/514112203.db2.gz GIGIASRFIIDFBF-CQSZACIVSA-N -1 3 361.410 2.942 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000417028768 514129500 /nfs/dbraw/zinc/12/95/00/514129500.db2.gz VEGSRYKDMGJMFB-CYBMUJFWSA-N -1 3 350.369 2.752 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432305957 514154358 /nfs/dbraw/zinc/15/43/58/514154358.db2.gz JWRMADZCFWOTHQ-ZDUSSCGKSA-N -1 3 369.368 2.968 20 30 FFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000452042579 514155734 /nfs/dbraw/zinc/15/57/34/514155734.db2.gz ONQHHQQIFCXPAB-CYBMUJFWSA-N -1 3 359.875 3.000 20 30 FFEDHM N#Cc1cncc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000420590097 514194761 /nfs/dbraw/zinc/19/47/61/514194761.db2.gz VCRAWYLWNUTRFR-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM C=CCN(C(=O)c1ccc(O)cc1[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC000444379432 514215155 /nfs/dbraw/zinc/21/51/55/514215155.db2.gz AIVUSUYXZAZKGI-GOSISDBHSA-N -1 3 369.417 2.900 20 30 FFEDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427780792 514312112 /nfs/dbraw/zinc/31/21/12/514312112.db2.gz AFVDEYSWGJAMNY-UHFFFAOYSA-N -1 3 370.478 2.967 20 30 FFEDHM C=C(C)[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(F)c(F)c1 ZINC000427817104 514323778 /nfs/dbraw/zinc/32/37/78/514323778.db2.gz KYNDQLFPELWWKE-GOSISDBHSA-N -1 3 360.360 2.834 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)CNC(=O)c2cccc([O-])c2)cc1C#N ZINC000452680443 514454048 /nfs/dbraw/zinc/45/40/48/514454048.db2.gz KSJSRNVQZBFKJL-UHFFFAOYSA-N -1 3 367.405 2.810 20 30 FFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N(CCC#N)Cc1ccccn1)c2=O ZINC000433361144 514471593 /nfs/dbraw/zinc/47/15/93/514471593.db2.gz LXVIVMVQBLUUEY-UHFFFAOYSA-N -1 3 364.380 2.927 20 30 FFEDHM CCOC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCC1 ZINC000433467237 514500351 /nfs/dbraw/zinc/50/03/51/514500351.db2.gz FIJRBUDCUONJCX-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM CCOC(=O)CC1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCC1 ZINC000433468002 514500412 /nfs/dbraw/zinc/50/04/12/514500412.db2.gz HILOQWAPDZATHU-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000508066846 514652527 /nfs/dbraw/zinc/65/25/27/514652527.db2.gz FRIIJNKEVLZAIW-CYBMUJFWSA-N -1 3 351.255 2.899 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466548136 514686934 /nfs/dbraw/zinc/68/69/34/514686934.db2.gz LSZPDRAZASVWDM-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(=O)[nH]1 ZINC000480196252 514874103 /nfs/dbraw/zinc/87/41/03/514874103.db2.gz KLBNWIJZGNTEMX-UHFFFAOYSA-N -1 3 357.313 2.787 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)cc1C#N ZINC000489833746 514993026 /nfs/dbraw/zinc/99/30/26/514993026.db2.gz DEHDJLMLTVBHQG-UHFFFAOYSA-N -1 3 371.796 2.985 20 30 FFEDHM C[C@H]1CCCN1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000471900888 515048284 /nfs/dbraw/zinc/04/82/84/515048284.db2.gz HKTLDILSAYVAAR-ZDUSSCGKSA-N -1 3 358.423 2.887 20 30 FFEDHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000480751696 515069590 /nfs/dbraw/zinc/06/95/90/515069590.db2.gz WBXOWRXOSARXRR-LLVKDONJSA-N -1 3 358.847 2.610 20 30 FFEDHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000471990797 515078016 /nfs/dbraw/zinc/07/80/16/515078016.db2.gz GGRDMLXQMQBWIH-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccc1[N+](=O)[O-] ZINC000467985125 515187093 /nfs/dbraw/zinc/18/70/93/515187093.db2.gz QIOFXDCRGSDXAD-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cn2)c(C(F)(F)F)c1 ZINC000477164742 515354923 /nfs/dbraw/zinc/35/49/23/515354923.db2.gz CKWJFBFGTDJBFE-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM C=C(CC)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000456829148 515448528 /nfs/dbraw/zinc/44/85/28/515448528.db2.gz NGICCWLDXZDCNM-UHFFFAOYSA-N -1 3 370.453 2.727 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000494421793 515838932 /nfs/dbraw/zinc/83/89/32/515838932.db2.gz MWNXOHGSEMKLCB-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000478761647 515954014 /nfs/dbraw/zinc/95/40/14/515954014.db2.gz NITPZVUKKYWBNE-INIZCTEOSA-N -1 3 372.874 2.858 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000501386506 516086557 /nfs/dbraw/zinc/08/65/57/516086557.db2.gz KTEBPDOVTUCYKK-GHMZBOCLSA-N -1 3 350.774 2.650 20 30 FFEDHM N#Cc1ccc(CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C2CC2)cc1 ZINC000483538178 516126415 /nfs/dbraw/zinc/12/64/15/516126415.db2.gz AVRSIOGPQZPNSO-UHFFFAOYSA-N -1 3 364.331 2.569 20 30 FFEDHM N#Cc1ccc(CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C2CC2)cc1 ZINC000483538178 516126423 /nfs/dbraw/zinc/12/64/23/516126423.db2.gz AVRSIOGPQZPNSO-UHFFFAOYSA-N -1 3 364.331 2.569 20 30 FFEDHM N#Cc1ccc(CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C2CC2)cc1 ZINC000483538178 516126430 /nfs/dbraw/zinc/12/64/30/516126430.db2.gz AVRSIOGPQZPNSO-UHFFFAOYSA-N -1 3 364.331 2.569 20 30 FFEDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000535455020 516360719 /nfs/dbraw/zinc/36/07/19/516360719.db2.gz RJNVXWDDJRGOMM-BBRMVZONSA-N -1 3 370.858 2.612 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)nc2)c(F)c1 ZINC000523570091 516508113 /nfs/dbraw/zinc/50/81/13/516508113.db2.gz MDFHLLHIVDVCOS-UHFFFAOYSA-N -1 3 374.441 2.561 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000561477044 516606068 /nfs/dbraw/zinc/60/60/68/516606068.db2.gz GLLNGDVMIAECQS-UHFFFAOYSA-N -1 3 371.281 2.903 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000540538409 516607501 /nfs/dbraw/zinc/60/75/01/516607501.db2.gz HXFREYVHNRIXKN-CQSZACIVSA-N -1 3 354.454 2.934 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@H](C#N)C1CCCCC1)c2=O ZINC000540588484 516630951 /nfs/dbraw/zinc/63/09/51/516630951.db2.gz RYRDRNUYXXINTC-MRXNPFEDSA-N -1 3 357.385 2.878 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551516345 516741116 /nfs/dbraw/zinc/74/11/16/516741116.db2.gz JAFCXQRFVSRRQC-SECBINFHSA-N -1 3 368.680 2.565 20 30 FFEDHM N#CCc1ccc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000561750949 516748119 /nfs/dbraw/zinc/74/81/19/516748119.db2.gz AMGPRVLAHOBXCO-DEOSSOPVSA-N -1 3 355.341 2.716 20 30 FFEDHM Cc1cncn1CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528911495 516789580 /nfs/dbraw/zinc/78/95/80/516789580.db2.gz AILOOIYSWVPVNY-GFCCVEGCSA-N -1 3 367.434 2.657 20 30 FFEDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000541310800 516981255 /nfs/dbraw/zinc/98/12/55/516981255.db2.gz LYZWLNBLGGSWSQ-ZDUSSCGKSA-N -1 3 368.842 2.731 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532711410 517109888 /nfs/dbraw/zinc/10/98/88/517109888.db2.gz AULNYCZTIIWMCV-LSDHHAIUSA-N -1 3 350.484 2.838 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC=C(c2ccccn2)C1 ZINC000552387280 517235085 /nfs/dbraw/zinc/23/50/85/517235085.db2.gz ZBWYEMVBVGYRNM-UHFFFAOYSA-N -1 3 362.433 2.919 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c(F)c1 ZINC000525952254 517251540 /nfs/dbraw/zinc/25/15/40/517251540.db2.gz HGPRYECUDXNXJP-AWEZNQCLSA-N -1 3 350.346 2.639 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCSCC(F)(F)F ZINC000537655278 517283449 /nfs/dbraw/zinc/28/34/49/517283449.db2.gz QNDTZGJZXCNCOS-UHFFFAOYSA-N -1 3 358.794 2.785 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@]1(C#N)CCc2ccccc2C1)c1ccccc1 ZINC000562706671 517321954 /nfs/dbraw/zinc/32/19/54/517321954.db2.gz BRBDZDBJHKYNJB-WOJBJXKFSA-N -1 3 370.474 2.745 20 30 FFEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1OCCO ZINC000542095854 517377995 /nfs/dbraw/zinc/37/79/95/517377995.db2.gz LKCPTYSWESRNTL-UHFFFAOYSA-N -1 3 369.421 2.527 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)c3c[n-]nc3-c3ccccc3)n2)c(F)c1 ZINC000542100141 517382018 /nfs/dbraw/zinc/38/20/18/517382018.db2.gz CUXMYMRKFFBRRP-UHFFFAOYSA-N -1 3 372.363 2.947 20 30 FFEDHM C=CCN(CC=C)[C@@H](CN=c1[n-]nc(C2CCOCC2)s1)C(C)C ZINC000549106996 517402025 /nfs/dbraw/zinc/40/20/25/517402025.db2.gz AKIJADHDJWRYHN-INIZCTEOSA-N -1 3 350.532 2.965 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000527043293 517468227 /nfs/dbraw/zinc/46/82/27/517468227.db2.gz RZRLHRHDJHSWRM-DGCLKSJQSA-N -1 3 360.863 2.724 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000538120276 517470854 /nfs/dbraw/zinc/47/08/54/517470854.db2.gz XDKSMPCHQJHPTR-VIFPVBQESA-N -1 3 357.781 2.822 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1ccccc1F ZINC000546071339 517526683 /nfs/dbraw/zinc/52/66/83/517526683.db2.gz OEPVTWKPQQXTEX-CQSZACIVSA-N -1 3 354.447 2.986 20 30 FFEDHM C[C@H](CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000546165552 517576361 /nfs/dbraw/zinc/57/63/61/517576361.db2.gz IZXYOZPJVTUFDL-CYBMUJFWSA-N -1 3 359.407 2.939 20 30 FFEDHM COCc1ccc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)cc1C#N ZINC000530146174 517590638 /nfs/dbraw/zinc/59/06/38/517590638.db2.gz WOQOWFVPVODFSD-IBGZPJMESA-N -1 3 374.462 2.704 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000516178452 517602854 /nfs/dbraw/zinc/60/28/54/517602854.db2.gz YHLLRVUJHFSGIA-UWVGGRQHSA-N -1 3 361.236 2.880 20 30 FFEDHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)ccn1 ZINC000538534784 517659960 /nfs/dbraw/zinc/65/99/60/517659960.db2.gz DFRBUACRQDPMKW-LBPRGKRZSA-N -1 3 363.414 2.748 20 30 FFEDHM Cc1cc(C#N)ccc1-c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000547210944 518024828 /nfs/dbraw/zinc/02/48/28/518024828.db2.gz YNHMWOBOOMSDSA-FQEVSTJZSA-N -1 3 373.372 2.638 20 30 FFEDHM CC1(C)CN(Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000563830398 518140549 /nfs/dbraw/zinc/14/05/49/518140549.db2.gz ZMQGBQYEQCRGDI-KRWDZBQOSA-N -1 3 373.478 2.730 20 30 FFEDHM CC[C@H](C)N[C@@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccco1 ZINC000581843826 518464648 /nfs/dbraw/zinc/46/46/48/518464648.db2.gz IUPPRAQFWFWYLG-FZMZJTMJSA-N -1 3 374.466 2.833 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2nccn21 ZINC000570594580 518685102 /nfs/dbraw/zinc/68/51/02/518685102.db2.gz OSCFKZHDSJVXES-BXKDBHETSA-N -1 3 370.356 2.758 20 30 FFEDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cccc(Cl)c3C#N)cn2c1 ZINC000577252360 518987657 /nfs/dbraw/zinc/98/76/57/518987657.db2.gz DBJUFTUFDSPWTI-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM CCOc1cc([N-]C(=O)c2cccc(C#N)n2)c([N+](=O)[O-])cc1OCC ZINC000589743132 519075638 /nfs/dbraw/zinc/07/56/38/519075638.db2.gz DTKAFYSFUHHKHE-UHFFFAOYSA-N -1 3 356.338 2.911 20 30 FFEDHM CCc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1[O-] ZINC000589831877 519085333 /nfs/dbraw/zinc/08/53/33/519085333.db2.gz UTSZELGDHKRDCL-UHFFFAOYSA-N -1 3 366.421 2.654 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)CCCC2)n1 ZINC000589893328 519099921 /nfs/dbraw/zinc/09/99/21/519099921.db2.gz VMCOOEYTMFOSGK-UHFFFAOYSA-N -1 3 362.480 2.774 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1OCCc2sccc21 ZINC000589935285 519108274 /nfs/dbraw/zinc/10/82/74/519108274.db2.gz QJYZVTLDTUSMJS-QLJPJBMISA-N -1 3 366.439 2.740 20 30 FFEDHM C=CCn1cc(C[N-]S(=O)(=O)c2c(C)sc3c2cccc3C)nn1 ZINC000577503932 519114882 /nfs/dbraw/zinc/11/48/82/519114882.db2.gz AGQHHHCLPJZVFY-UHFFFAOYSA-N -1 3 362.480 2.774 20 30 FFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1Cl ZINC000590057764 519139426 /nfs/dbraw/zinc/13/94/26/519139426.db2.gz ZHEYEYMIZOPGPK-UHFFFAOYSA-N -1 3 364.810 2.993 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000583503248 519284531 /nfs/dbraw/zinc/28/45/31/519284531.db2.gz VGVCGVVISDKVQH-LBPRGKRZSA-N -1 3 356.245 2.537 20 30 FFEDHM CCOc1cc(CN(CCC#N)CCOC)cc(Br)c1[O-] ZINC000590952813 519456169 /nfs/dbraw/zinc/45/61/69/519456169.db2.gz KNJNJVOXLINGDJ-UHFFFAOYSA-N -1 3 357.248 2.915 20 30 FFEDHM C[C@]1(c2ccc(-c3noc(-c4cccc(CC#N)c4)n3)cc2)NC(=O)[N-]C1=O ZINC000584025261 519552481 /nfs/dbraw/zinc/55/24/81/519552481.db2.gz XJXQBUAGTSXXLP-HXUWFJFHSA-N -1 3 373.372 2.524 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594490722 520000717 /nfs/dbraw/zinc/00/07/17/520000717.db2.gz HRHJATLHBXJASC-AWEZNQCLSA-N -1 3 354.859 2.982 20 30 FFEDHM COc1cc2[n-]cc(C(=O)NCC3(C#N)CCCCC3)c(=O)c2c(OC)c1 ZINC000600104999 520049267 /nfs/dbraw/zinc/04/92/67/520049267.db2.gz STLRIOZGQIOOOG-UHFFFAOYSA-N -1 3 369.421 2.749 20 30 FFEDHM COc1cc2ncc(C(=O)NCC3(C#N)CCCCC3)c([O-])c2c(OC)c1 ZINC000600104999 520049275 /nfs/dbraw/zinc/04/92/75/520049275.db2.gz STLRIOZGQIOOOG-UHFFFAOYSA-N -1 3 369.421 2.749 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)Cn1cccn1 ZINC000594747629 520129916 /nfs/dbraw/zinc/12/99/16/520129916.db2.gz CYCWYMCNQXHCBH-LLVKDONJSA-N -1 3 360.464 2.645 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)c1cnn(C)c1 ZINC000594760634 520141011 /nfs/dbraw/zinc/14/10/11/520141011.db2.gz UVJHDTMCCQOKHW-NSHDSACASA-N -1 3 360.464 2.854 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000594774183 520148583 /nfs/dbraw/zinc/14/85/83/520148583.db2.gz XTGYPKADVXXTIR-ZDUSSCGKSA-N -1 3 350.465 2.929 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CC=CC2)s1 ZINC000592097650 520181398 /nfs/dbraw/zinc/18/13/98/520181398.db2.gz JEGRSTBVQYMPHV-QGZVFWFLSA-N -1 3 374.487 2.968 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1(CO)CC=CC1 ZINC000592100075 520183710 /nfs/dbraw/zinc/18/37/10/520183710.db2.gz FPJBVWRHTWIRRN-INIZCTEOSA-N -1 3 368.886 2.843 20 30 FFEDHM Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594864300 520195707 /nfs/dbraw/zinc/19/57/07/520195707.db2.gz OUAFXRJBUKYHSB-UHFFFAOYSA-N -1 3 374.437 2.990 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(C#N)cc3)CCCCCC2)no1 ZINC000603631338 520333368 /nfs/dbraw/zinc/33/33/68/520333368.db2.gz YLWPGSFCOVMJCZ-UHFFFAOYSA-N -1 3 374.466 2.919 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000600668078 520385710 /nfs/dbraw/zinc/38/57/10/520385710.db2.gz LKTRJOLGEBZDNL-JTQLQIEISA-N -1 3 366.361 2.810 20 30 FFEDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000595355470 520425383 /nfs/dbraw/zinc/42/53/83/520425383.db2.gz UPWZGBQDCSDDEK-SJORKVTESA-N -1 3 350.484 2.748 20 30 FFEDHM CN(CC1CC1)S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000609985070 520495668 /nfs/dbraw/zinc/49/56/68/520495668.db2.gz KKJWWKWKPSUVMI-UHFFFAOYSA-N -1 3 358.423 2.744 20 30 FFEDHM C=CCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000617613995 520608757 /nfs/dbraw/zinc/60/87/57/520608757.db2.gz GHKAJRHPAJMFEB-UHFFFAOYSA-N -1 3 358.442 2.582 20 30 FFEDHM Cc1cccc2c1ncc(C#N)c2NCCCNC(=O)c1cccc([O-])c1 ZINC000610275590 520617660 /nfs/dbraw/zinc/61/76/60/520617660.db2.gz RYNMVIMYGOIDCP-UHFFFAOYSA-N -1 3 360.417 2.774 20 30 FFEDHM CC(C)[C@H](C#N)N1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598693275 520790658 /nfs/dbraw/zinc/79/06/58/520790658.db2.gz BCZNYVVZQUYMRO-HNNXBMFYSA-N -1 3 355.360 2.717 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000614296965 520897187 /nfs/dbraw/zinc/89/71/87/520897187.db2.gz CBOCUAFNLZAMSY-UHFFFAOYSA-N -1 3 353.397 2.797 20 30 FFEDHM CCn1cc(CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(C)C)cn1 ZINC000593313656 520901408 /nfs/dbraw/zinc/90/14/08/520901408.db2.gz IYHTVVUBEZVJOA-UHFFFAOYSA-N -1 3 369.469 2.862 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3nc(C4CC4)oc3C)sc2C1 ZINC000598890076 520904421 /nfs/dbraw/zinc/90/44/21/520904421.db2.gz FEIAVHHRFZPTFL-UHFFFAOYSA-N -1 3 370.434 2.951 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc2C1 ZINC000611018175 520949614 /nfs/dbraw/zinc/94/96/14/520949614.db2.gz VJYXEMUWUNPROF-ZDUSSCGKSA-N -1 3 371.418 2.550 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000593529594 521052075 /nfs/dbraw/zinc/05/20/75/521052075.db2.gz CFJHILVOLOCVLS-OAHLLOKOSA-N -1 3 361.492 2.563 20 30 FFEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)(C)C ZINC000593569326 521083925 /nfs/dbraw/zinc/08/39/25/521083925.db2.gz ZYPBRFSSJQAKST-GWCFXTLKSA-N -1 3 358.485 2.654 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593589711 521094241 /nfs/dbraw/zinc/09/42/41/521094241.db2.gz WVSMEQZAKNAKQW-HNNXBMFYSA-N -1 3 350.465 2.658 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000618716042 521196096 /nfs/dbraw/zinc/19/60/96/521196096.db2.gz FWRRQWBJGIQKIC-HNNXBMFYSA-N -1 3 361.354 2.571 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000599409127 521204844 /nfs/dbraw/zinc/20/48/44/521204844.db2.gz HHZPPYQKOSOPII-ZIAGYGMSSA-N -1 3 371.466 2.961 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2ccc(F)cc2C1 ZINC000618886899 521278656 /nfs/dbraw/zinc/27/86/56/521278656.db2.gz DTKVJUUOXWAAIZ-UHFFFAOYSA-N -1 3 369.396 2.769 20 30 FFEDHM C=CCC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000619104192 521401271 /nfs/dbraw/zinc/40/12/71/521401271.db2.gz JRLGLDXXFCERLI-UHFFFAOYSA-N -1 3 362.904 2.685 20 30 FFEDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000619122714 521408764 /nfs/dbraw/zinc/40/87/64/521408764.db2.gz XAAASIKRURKECC-UHFFFAOYSA-N -1 3 352.375 2.934 20 30 FFEDHM CC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC(F)(F)CC1 ZINC000612140661 521503456 /nfs/dbraw/zinc/50/34/56/521503456.db2.gz UJEOKSZMXBEEJO-UHFFFAOYSA-N -1 3 359.354 2.713 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000619421009 521559478 /nfs/dbraw/zinc/55/94/78/521559478.db2.gz UOHLPHRLPCSBOO-UHFFFAOYSA-N -1 3 367.371 2.799 20 30 FFEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](OCC)C2CC2)cc1 ZINC000629286649 522086791 /nfs/dbraw/zinc/08/67/91/522086791.db2.gz YQIAIQYTKOSWKG-MRXNPFEDSA-N -1 3 367.471 2.551 20 30 FFEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000632641089 522207739 /nfs/dbraw/zinc/20/77/39/522207739.db2.gz REHZFWQPCNGNLH-UHFFFAOYSA-N -1 3 370.540 2.923 20 30 FFEDHM COCCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000633900197 523052549 /nfs/dbraw/zinc/05/25/49/523052549.db2.gz MLWUQHXYEBCVBB-LBPRGKRZSA-N -1 3 359.336 2.764 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000491067840 561442607 /nfs/dbraw/zinc/44/26/07/561442607.db2.gz LQUJXQPSNOEIAC-UHFFFAOYSA-N -1 3 353.325 2.847 20 30 FFEDHM Cc1cccc(OCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C ZINC000737401949 598913815 /nfs/dbraw/zinc/91/38/15/598913815.db2.gz QQKYRISXRGAKAM-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1cccc(OCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C ZINC000737401949 598913818 /nfs/dbraw/zinc/91/38/18/598913818.db2.gz QQKYRISXRGAKAM-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2nc3ccccc3s2)ccc1-c1nnn[n-]1 ZINC000737703303 598915796 /nfs/dbraw/zinc/91/57/96/598915796.db2.gz BDKZHSOYPJGGGC-BQYQJAHWSA-N -1 3 373.401 3.000 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2nc3ccccc3s2)ccc1-c1nn[n-]n1 ZINC000737703303 598915797 /nfs/dbraw/zinc/91/57/97/598915797.db2.gz BDKZHSOYPJGGGC-BQYQJAHWSA-N -1 3 373.401 3.000 20 30 FFEDHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c[nH]c2c1 ZINC000737371982 598925672 /nfs/dbraw/zinc/92/56/72/598925672.db2.gz SFTZHVUGJYPFSY-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c[nH]c2c1 ZINC000737371982 598925674 /nfs/dbraw/zinc/92/56/74/598925674.db2.gz SFTZHVUGJYPFSY-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735913897 598926300 /nfs/dbraw/zinc/92/63/00/598926300.db2.gz NFDLHNUWWLWRBG-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735913897 598926302 /nfs/dbraw/zinc/92/63/02/598926302.db2.gz NFDLHNUWWLWRBG-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(-c3cnco3)cc2)ccc1-c1nnn[n-]1 ZINC000737709847 598928802 /nfs/dbraw/zinc/92/88/02/598928802.db2.gz RAZGOOBRDGIBNE-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(-c3cnco3)cc2)ccc1-c1nn[n-]n1 ZINC000737709847 598928804 /nfs/dbraw/zinc/92/88/04/598928804.db2.gz RAZGOOBRDGIBNE-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM CC(C)c1nn(C)c(Cl)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820206766 607254234 /nfs/dbraw/zinc/25/42/34/607254234.db2.gz ZWEUKASBLMAZGD-UHFFFAOYSA-N -1 3 358.837 2.501 20 30 FFEDHM CC(C)c1nn(C)c(Cl)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820206766 607254235 /nfs/dbraw/zinc/25/42/35/607254235.db2.gz ZWEUKASBLMAZGD-UHFFFAOYSA-N -1 3 358.837 2.501 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000737065790 599149981 /nfs/dbraw/zinc/14/99/81/599149981.db2.gz OIHTZVYZDXKGFB-DAXSKMNVSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000737065790 599149982 /nfs/dbraw/zinc/14/99/82/599149982.db2.gz OIHTZVYZDXKGFB-DAXSKMNVSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)CO2 ZINC000737116596 599155687 /nfs/dbraw/zinc/15/56/87/599155687.db2.gz UYKFQGUGRZYWOK-KPKJPENVSA-N -1 3 364.361 2.543 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)CO2 ZINC000737116596 599155690 /nfs/dbraw/zinc/15/56/90/599155690.db2.gz UYKFQGUGRZYWOK-KPKJPENVSA-N -1 3 364.361 2.543 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccnc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202516 599157388 /nfs/dbraw/zinc/15/73/88/599157388.db2.gz NCQQSZWPERJQRU-WTKPLQERSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1cccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c[nH]c21 ZINC000737410712 599192119 /nfs/dbraw/zinc/19/21/19/599192119.db2.gz XWCXKPSBJRIGBJ-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM Cc1cccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c[nH]c21 ZINC000737410712 599192121 /nfs/dbraw/zinc/19/21/21/599192121.db2.gz XWCXKPSBJRIGBJ-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2OC2CCC2)cc1-c1nnn[n-]1 ZINC000737718233 599193069 /nfs/dbraw/zinc/19/30/69/599193069.db2.gz GHPJQSKVTUUZJS-UHFFFAOYSA-N -1 3 360.377 2.922 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2OC2CCC2)cc1-c1nn[n-]n1 ZINC000737718233 599193071 /nfs/dbraw/zinc/19/30/71/599193071.db2.gz GHPJQSKVTUUZJS-UHFFFAOYSA-N -1 3 360.377 2.922 20 30 FFEDHM N#Cc1cc(NC(=O)c2ncoc2-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737711060 599194665 /nfs/dbraw/zinc/19/46/65/599194665.db2.gz YBSZYHVLCSCSAF-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cc(NC(=O)c2ncoc2-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737711060 599194668 /nfs/dbraw/zinc/19/46/68/599194668.db2.gz YBSZYHVLCSCSAF-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000737716398 599194912 /nfs/dbraw/zinc/19/49/12/599194912.db2.gz QNRDMGZQFDISPL-HIFRSBDPSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000737716398 599194914 /nfs/dbraw/zinc/19/49/14/599194914.db2.gz QNRDMGZQFDISPL-HIFRSBDPSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000737715864 599200377 /nfs/dbraw/zinc/20/03/77/599200377.db2.gz GACBGYXGMGGBEO-CHWSQXEVSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000737715864 599200379 /nfs/dbraw/zinc/20/03/79/599200379.db2.gz GACBGYXGMGGBEO-CHWSQXEVSA-N -1 3 366.331 2.759 20 30 FFEDHM CC1CCN([C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c2ccccc2)CC1 ZINC000820238329 597636879 /nfs/dbraw/zinc/63/68/79/597636879.db2.gz MZPLEDIPEVZDMG-YLJYHZDGSA-N -1 3 357.454 2.580 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1NC(C)=O ZINC000737066823 598315666 /nfs/dbraw/zinc/31/56/66/598315666.db2.gz WPANRIQJRLDDRV-UITAMQMPSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000737066823 598315668 /nfs/dbraw/zinc/31/56/68/598315668.db2.gz WPANRIQJRLDDRV-UITAMQMPSA-N -1 3 363.377 2.730 20 30 FFEDHM N#Cc1nccnc1Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737729888 598344746 /nfs/dbraw/zinc/34/47/46/598344746.db2.gz FIMCIAUTFSGLNL-UHFFFAOYSA-N -1 3 370.376 2.851 20 30 FFEDHM N#Cc1nccnc1Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737729888 598344751 /nfs/dbraw/zinc/34/47/51/598344751.db2.gz FIMCIAUTFSGLNL-UHFFFAOYSA-N -1 3 370.376 2.851 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737082820 598392666 /nfs/dbraw/zinc/39/26/66/598392666.db2.gz ZZOCSKHLKVOERE-WAPJZHGLSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737082820 598392668 /nfs/dbraw/zinc/39/26/68/598392668.db2.gz ZZOCSKHLKVOERE-WAPJZHGLSA-N -1 3 351.322 2.680 20 30 FFEDHM CCc1c(C)sc(NC(=O)Cc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000736674320 598515655 /nfs/dbraw/zinc/51/56/55/598515655.db2.gz BRHDYWNUMDQFHR-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM CCc1c(C)sc(NC(=O)Cc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000736674320 598515657 /nfs/dbraw/zinc/51/56/57/598515657.db2.gz BRHDYWNUMDQFHR-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM C=CCN(CC=C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735419185 598559845 /nfs/dbraw/zinc/55/98/45/598559845.db2.gz PVXOQNFFNXXAIW-UHFFFAOYSA-N -1 3 350.329 2.674 20 30 FFEDHM C=CCN(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735419185 598559846 /nfs/dbraw/zinc/55/98/46/598559846.db2.gz PVXOQNFFNXXAIW-UHFFFAOYSA-N -1 3 350.329 2.674 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000737676982 598591549 /nfs/dbraw/zinc/59/15/49/598591549.db2.gz YFCFDSMFNHBCNV-CQSZACIVSA-N -1 3 372.310 2.880 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000737676982 598591551 /nfs/dbraw/zinc/59/15/51/598591551.db2.gz YFCFDSMFNHBCNV-CQSZACIVSA-N -1 3 372.310 2.880 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1c(C)cc(C#N)cc1C ZINC000821702155 599386754 /nfs/dbraw/zinc/38/67/54/599386754.db2.gz JOQSRLRRFKNFBU-UHFFFAOYSA-N -1 3 365.393 2.822 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1c(C)cc(C#N)cc1C ZINC000821702155 599386757 /nfs/dbraw/zinc/38/67/57/599386757.db2.gz JOQSRLRRFKNFBU-UHFFFAOYSA-N -1 3 365.393 2.822 20 30 FFEDHM C=CCC[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733933 607390495 /nfs/dbraw/zinc/39/04/95/607390495.db2.gz FNOUIVAJHZQQNJ-KRWDZBQOSA-N -1 3 369.450 2.853 20 30 FFEDHM C=CCC[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733933 607390498 /nfs/dbraw/zinc/39/04/98/607390498.db2.gz FNOUIVAJHZQQNJ-KRWDZBQOSA-N -1 3 369.450 2.853 20 30 FFEDHM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825712388 607398995 /nfs/dbraw/zinc/39/89/95/607398995.db2.gz PZLPKVJEPDQQBQ-KRWDZBQOSA-N -1 3 374.404 2.699 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000826252406 607413369 /nfs/dbraw/zinc/41/33/69/607413369.db2.gz BWXBNIVKEGCBNA-ZDUSSCGKSA-N -1 3 363.377 2.558 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000826252406 607413370 /nfs/dbraw/zinc/41/33/70/607413370.db2.gz BWXBNIVKEGCBNA-ZDUSSCGKSA-N -1 3 363.377 2.558 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826257161 607413818 /nfs/dbraw/zinc/41/38/18/607413818.db2.gz QBDKMKWPIKAVAJ-CYBMUJFWSA-N -1 3 363.377 2.558 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384130 607523659 /nfs/dbraw/zinc/52/36/59/607523659.db2.gz HZBTUGQKWKJLST-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384130 607523661 /nfs/dbraw/zinc/52/36/61/607523661.db2.gz HZBTUGQKWKJLST-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM COc1ccc(CN=Cc2cc3ccccc3[nH]c2=O)cc1-c1nnn[n-]1 ZINC000826195908 607527676 /nfs/dbraw/zinc/52/76/76/607527676.db2.gz JYDUBXGGHQAGKH-JAIQZWGSSA-N -1 3 360.377 2.748 20 30 FFEDHM COc1ccc(CN=Cc2cc3ccccc3[nH]c2=O)cc1-c1nn[n-]n1 ZINC000826195908 607527678 /nfs/dbraw/zinc/52/76/78/607527678.db2.gz JYDUBXGGHQAGKH-JAIQZWGSSA-N -1 3 360.377 2.748 20 30 FFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC)c(C#N)c1 ZINC000825632259 607548539 /nfs/dbraw/zinc/54/85/39/607548539.db2.gz NEYOYHJRWICNEA-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC)c(C#N)c1 ZINC000825632259 607548540 /nfs/dbraw/zinc/54/85/40/607548540.db2.gz NEYOYHJRWICNEA-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000738492839 602470186 /nfs/dbraw/zinc/47/01/86/602470186.db2.gz UZGYBBLOSYJTIB-UHFFFAOYSA-N -1 3 358.442 2.889 20 30 FFEDHM COc1ccc(COC(=O)C=Cc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000826204830 607598551 /nfs/dbraw/zinc/59/85/51/607598551.db2.gz AQMKEDIJIMUTDH-VQHVLOKHSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1ccc(COC(=O)C=Cc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000826204830 607598553 /nfs/dbraw/zinc/59/85/53/607598553.db2.gz AQMKEDIJIMUTDH-VQHVLOKHSA-N -1 3 361.361 2.504 20 30 FFEDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccccc1Cl ZINC000826421826 607606659 /nfs/dbraw/zinc/60/66/59/607606659.db2.gz AXYQJFYTGAAILQ-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccccc1Cl ZINC000826421826 607606661 /nfs/dbraw/zinc/60/66/61/607606661.db2.gz AXYQJFYTGAAILQ-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM COCCN(CC(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000739811459 603170034 /nfs/dbraw/zinc/17/00/34/603170034.db2.gz DAUMKMNZUKURFX-ZDUSSCGKSA-N -1 3 359.407 2.613 20 30 FFEDHM C=CCC[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823894338 607677966 /nfs/dbraw/zinc/67/79/66/607677966.db2.gz NQKVLHWVVOOQCB-MRXNPFEDSA-N -1 3 369.450 2.853 20 30 FFEDHM C=CCC[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823894338 607677970 /nfs/dbraw/zinc/67/79/70/607677970.db2.gz NQKVLHWVVOOQCB-MRXNPFEDSA-N -1 3 369.450 2.853 20 30 FFEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000833411342 605175031 /nfs/dbraw/zinc/17/50/31/605175031.db2.gz AGYWCYLNPOBPNH-GOSISDBHSA-N -1 3 351.406 2.938 20 30 FFEDHM N#CC(C(=O)CCCCNC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000833961270 605909360 /nfs/dbraw/zinc/90/93/60/605909360.db2.gz QCGDRCWNAJVLHK-OAHLLOKOSA-N -1 3 353.378 2.925 20 30 FFEDHM Cc1ccc(C2N=NC(=S)N2N=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822215110 606203578 /nfs/dbraw/zinc/20/35/78/606203578.db2.gz MDHZYANQWVQDBD-UHFFFAOYSA-N -1 3 368.451 2.666 20 30 FFEDHM Cc1ccc(C2N=NC(=S)N2N=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822215110 606203580 /nfs/dbraw/zinc/20/35/80/606203580.db2.gz MDHZYANQWVQDBD-UHFFFAOYSA-N -1 3 368.451 2.666 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCOC2=O)cc1 ZINC000822923545 606306148 /nfs/dbraw/zinc/30/61/48/606306148.db2.gz STOBPWQLERSVHL-AATRIKPKSA-N -1 3 367.390 2.781 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCOC2=O)cc1 ZINC000822923545 606306150 /nfs/dbraw/zinc/30/61/50/606306150.db2.gz STOBPWQLERSVHL-AATRIKPKSA-N -1 3 367.390 2.781 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821707680 606390663 /nfs/dbraw/zinc/39/06/63/606390663.db2.gz BYIXWDVUAIKKJV-JXMROGBWSA-N -1 3 354.391 2.904 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822800945 606545056 /nfs/dbraw/zinc/54/50/56/606545056.db2.gz BGCPUTRXUFEZAK-GJZGRUSLSA-N -1 3 364.434 2.840 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822800945 606545058 /nfs/dbraw/zinc/54/50/58/606545058.db2.gz BGCPUTRXUFEZAK-GJZGRUSLSA-N -1 3 364.434 2.840 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819976303 606673413 /nfs/dbraw/zinc/67/34/13/606673413.db2.gz UAPFXSSDCSVQSQ-UHFFFAOYSA-N -1 3 371.351 2.825 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819976303 606673414 /nfs/dbraw/zinc/67/34/14/606673414.db2.gz UAPFXSSDCSVQSQ-UHFFFAOYSA-N -1 3 371.351 2.825 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(F)cc(F)c1 ZINC000822936183 606695359 /nfs/dbraw/zinc/69/53/59/606695359.db2.gz SMMDZOWJMSQXPD-NSCUHMNNSA-N -1 3 352.304 2.689 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(F)cc(F)c1 ZINC000822936183 606695360 /nfs/dbraw/zinc/69/53/60/606695360.db2.gz SMMDZOWJMSQXPD-NSCUHMNNSA-N -1 3 352.304 2.689 20 30 FFEDHM N#CC1(OC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CCC1 ZINC000822802125 606802251 /nfs/dbraw/zinc/80/22/51/606802251.db2.gz VZSPGOMYGJXMAH-UHFFFAOYSA-N -1 3 365.349 2.642 20 30 FFEDHM N#CC1(OC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CCC1 ZINC000822802125 606802253 /nfs/dbraw/zinc/80/22/53/606802253.db2.gz VZSPGOMYGJXMAH-UHFFFAOYSA-N -1 3 365.349 2.642 20 30 FFEDHM COc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)CCCO2 ZINC000821850021 606836100 /nfs/dbraw/zinc/83/61/00/606836100.db2.gz VHDRHHIPFKDZKE-UHFFFAOYSA-N -1 3 350.382 2.864 20 30 FFEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000822826453 607195067 /nfs/dbraw/zinc/19/50/67/607195067.db2.gz YZOQUHIBNBBXPE-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000822826453 607195068 /nfs/dbraw/zinc/19/50/68/607195068.db2.gz YZOQUHIBNBBXPE-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM CN(Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999362 607846831 /nfs/dbraw/zinc/84/68/31/607846831.db2.gz YDWUIPBSQYMLAE-UHFFFAOYSA-N -1 3 356.393 2.696 20 30 FFEDHM C#CCOCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823856628 607893558 /nfs/dbraw/zinc/89/35/58/607893558.db2.gz VIGHHPVAAKCNKM-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM C#CCOCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823856628 607893559 /nfs/dbraw/zinc/89/35/59/607893559.db2.gz VIGHHPVAAKCNKM-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)OCC ZINC000823874138 607908303 /nfs/dbraw/zinc/90/83/03/607908303.db2.gz TYUTUUINYPDHFQ-INIZCTEOSA-N -1 3 359.430 2.964 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)OCC ZINC000823874138 607908304 /nfs/dbraw/zinc/90/83/04/607908304.db2.gz TYUTUUINYPDHFQ-INIZCTEOSA-N -1 3 359.430 2.964 20 30 FFEDHM C=C(C)[C@@H](CC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)OCC ZINC000823874251 607919586 /nfs/dbraw/zinc/91/95/86/607919586.db2.gz UFYGIKRTYWCBDH-OAHLLOKOSA-N -1 3 355.398 2.534 20 30 FFEDHM C=C(C)[C@@H](CC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)OCC ZINC000823874251 607919587 /nfs/dbraw/zinc/91/95/87/607919587.db2.gz UFYGIKRTYWCBDH-OAHLLOKOSA-N -1 3 355.398 2.534 20 30 FFEDHM C#CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823839106 607940228 /nfs/dbraw/zinc/94/02/28/607940228.db2.gz ZOARSBSMRJLTJV-QGZVFWFLSA-N -1 3 364.384 2.570 20 30 FFEDHM C#CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823839106 607940229 /nfs/dbraw/zinc/94/02/29/607940229.db2.gz ZOARSBSMRJLTJV-QGZVFWFLSA-N -1 3 364.384 2.570 20 30 FFEDHM N#CCc1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826382608 607979109 /nfs/dbraw/zinc/97/91/09/607979109.db2.gz MTRQIWGTCITZPY-UHFFFAOYSA-N -1 3 363.377 2.559 20 30 FFEDHM N#CCc1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826382608 607979110 /nfs/dbraw/zinc/97/91/10/607979110.db2.gz MTRQIWGTCITZPY-UHFFFAOYSA-N -1 3 363.377 2.559 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nc(Cl)ccc1F ZINC000823915137 607979411 /nfs/dbraw/zinc/97/94/11/607979411.db2.gz SJWQDHVWWGORAP-UHFFFAOYSA-N -1 3 372.791 2.883 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nc(Cl)ccc1F ZINC000823915137 607979412 /nfs/dbraw/zinc/97/94/12/607979412.db2.gz SJWQDHVWWGORAP-UHFFFAOYSA-N -1 3 372.791 2.883 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823904253 607984025 /nfs/dbraw/zinc/98/40/25/607984025.db2.gz YBTRSNIEQWMUKJ-CYBMUJFWSA-N -1 3 373.482 2.698 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823904253 607984026 /nfs/dbraw/zinc/98/40/26/607984026.db2.gz YBTRSNIEQWMUKJ-CYBMUJFWSA-N -1 3 373.482 2.698 20 30 FFEDHM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823962932 608094781 /nfs/dbraw/zinc/09/47/81/608094781.db2.gz SPEDOHNFLWOGGT-UHFFFAOYSA-N -1 3 365.426 2.560 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(F)c(OC)c2)cc1-c1nnn[n-]1 ZINC000826177209 608230901 /nfs/dbraw/zinc/23/09/01/608230901.db2.gz XARKSQKVMMWAPB-XVNBXDOJSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(F)c(OC)c2)cc1-c1nn[n-]n1 ZINC000826177209 608230903 /nfs/dbraw/zinc/23/09/03/608230903.db2.gz XARKSQKVMMWAPB-XVNBXDOJSA-N -1 3 354.341 2.919 20 30 FFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C#N)cc1OC ZINC000825609501 608262316 /nfs/dbraw/zinc/26/23/16/608262316.db2.gz OBATWJLLYPLFEW-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1OC ZINC000825609501 608262318 /nfs/dbraw/zinc/26/23/18/608262318.db2.gz OBATWJLLYPLFEW-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(F)cc1OCC#N ZINC000826170445 608319923 /nfs/dbraw/zinc/31/99/23/608319923.db2.gz ACJQVBQHKHPVAO-UHFFFAOYSA-N -1 3 354.345 2.529 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(F)cc1OCC#N ZINC000826170445 608319924 /nfs/dbraw/zinc/31/99/24/608319924.db2.gz ACJQVBQHKHPVAO-UHFFFAOYSA-N -1 3 354.345 2.529 20 30 FFEDHM C#Cc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000823861306 608344129 /nfs/dbraw/zinc/34/41/29/608344129.db2.gz DEFQREJOPCBEFK-UHFFFAOYSA-N -1 3 352.785 2.563 20 30 FFEDHM C#Cc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000823861306 608344131 /nfs/dbraw/zinc/34/41/31/608344131.db2.gz DEFQREJOPCBEFK-UHFFFAOYSA-N -1 3 352.785 2.563 20 30 FFEDHM C#C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1 ZINC000823838274 608454510 /nfs/dbraw/zinc/45/45/10/608454510.db2.gz NEVPRHQKHSJHJL-OAHLLOKOSA-N -1 3 364.361 2.607 20 30 FFEDHM C#C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1 ZINC000823838274 608454511 /nfs/dbraw/zinc/45/45/11/608454511.db2.gz NEVPRHQKHSJHJL-OAHLLOKOSA-N -1 3 364.361 2.607 20 30 FFEDHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(C#N)c1 ZINC000824633634 608480976 /nfs/dbraw/zinc/48/09/76/608480976.db2.gz PTBXASSMWMQRLD-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(C#N)c1 ZINC000824633634 608480978 /nfs/dbraw/zinc/48/09/78/608480978.db2.gz PTBXASSMWMQRLD-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(F)cc3cccnc32)ccc1-c1nnn[n-]1 ZINC000826384519 608494867 /nfs/dbraw/zinc/49/48/67/608494867.db2.gz YSMRPRRWCWFDCX-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(F)cc3cccnc32)ccc1-c1nn[n-]n1 ZINC000826384519 608494869 /nfs/dbraw/zinc/49/48/69/608494869.db2.gz YSMRPRRWCWFDCX-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM Oc1ccccc1C=NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826511232 608527089 /nfs/dbraw/zinc/52/70/89/608527089.db2.gz HTZVBALLUSESAL-JAIQZWGSSA-N -1 3 364.409 2.776 20 30 FFEDHM Oc1ccccc1C=NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826511232 608527091 /nfs/dbraw/zinc/52/70/91/608527091.db2.gz HTZVBALLUSESAL-JAIQZWGSSA-N -1 3 364.409 2.776 20 30 FFEDHM C=CCN(Cc1cn2cccc(F)c2n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914321 608632642 /nfs/dbraw/zinc/63/26/42/608632642.db2.gz FQFZKDVECBTTIN-UHFFFAOYSA-N -1 3 363.400 2.842 20 30 FFEDHM C=CCN(Cc1cn2cccc(F)c2n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914321 608632643 /nfs/dbraw/zinc/63/26/43/608632643.db2.gz FQFZKDVECBTTIN-UHFFFAOYSA-N -1 3 363.400 2.842 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824035352 609157283 /nfs/dbraw/zinc/15/72/83/609157283.db2.gz XRWMKIJCMXZJSY-JTQLQIEISA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824035352 609157286 /nfs/dbraw/zinc/15/72/86/609157286.db2.gz XRWMKIJCMXZJSY-JTQLQIEISA-N -1 3 367.344 2.941 20 30 FFEDHM Cc1nnc(SCc2cn3ccccc3c2C#N)c(-c2nnn[n-]2)c1C ZINC000826337110 609306215 /nfs/dbraw/zinc/30/62/15/609306215.db2.gz BUYKYVBXMKYCRO-UHFFFAOYSA-N -1 3 362.422 2.690 20 30 FFEDHM Cc1nnc(SCc2cn3ccccc3c2C#N)c(-c2nn[n-]n2)c1C ZINC000826337110 609306217 /nfs/dbraw/zinc/30/62/17/609306217.db2.gz BUYKYVBXMKYCRO-UHFFFAOYSA-N -1 3 362.422 2.690 20 30 FFEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400578 609308689 /nfs/dbraw/zinc/30/86/89/609308689.db2.gz BTCOULCRRZYRCQ-CMDGGOBGSA-N -1 3 356.183 2.920 20 30 FFEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400578 609308691 /nfs/dbraw/zinc/30/86/91/609308691.db2.gz BTCOULCRRZYRCQ-CMDGGOBGSA-N -1 3 356.183 2.920 20 30 FFEDHM C=C(C)CN(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823872575 609347662 /nfs/dbraw/zinc/34/76/62/609347662.db2.gz BCAFTZPRMNIFQQ-UHFFFAOYSA-N -1 3 353.382 2.687 20 30 FFEDHM C=C(C)CN(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823872575 609347663 /nfs/dbraw/zinc/34/76/63/609347663.db2.gz BCAFTZPRMNIFQQ-UHFFFAOYSA-N -1 3 353.382 2.687 20 30 FFEDHM C=C(C)CN(CC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823878357 609357373 /nfs/dbraw/zinc/35/73/73/609357373.db2.gz WLBMAZWEDXQZBU-UHFFFAOYSA-N -1 3 370.392 2.621 20 30 FFEDHM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1O ZINC000826178872 609471341 /nfs/dbraw/zinc/47/13/41/609471341.db2.gz PHWSXXHNDKPJFE-UHFFFAOYSA-N -1 3 374.788 2.689 20 30 FFEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1O ZINC000826178872 609471342 /nfs/dbraw/zinc/47/13/42/609471342.db2.gz PHWSXXHNDKPJFE-UHFFFAOYSA-N -1 3 374.788 2.689 20 30 FFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)ccc1F ZINC000826162314 609485873 /nfs/dbraw/zinc/48/58/73/609485873.db2.gz WTVVWHOWIZGLGS-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)ccc1F ZINC000826162314 609485874 /nfs/dbraw/zinc/48/58/74/609485874.db2.gz WTVVWHOWIZGLGS-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823936934 609510997 /nfs/dbraw/zinc/51/09/97/609510997.db2.gz AHTGGYSRKZARKH-UHFFFAOYSA-N -1 3 356.407 2.504 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823936934 609510998 /nfs/dbraw/zinc/51/09/98/609510998.db2.gz AHTGGYSRKZARKH-UHFFFAOYSA-N -1 3 356.407 2.504 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCO[C@H](CC)C1 ZINC000823909828 609540292 /nfs/dbraw/zinc/54/02/92/609540292.db2.gz RKTDXTJMLZDGRY-DLBZAZTESA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCO[C@H](CC)C1 ZINC000823909828 609540295 /nfs/dbraw/zinc/54/02/95/609540295.db2.gz RKTDXTJMLZDGRY-DLBZAZTESA-N -1 3 355.442 2.587 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C)C2)ccc1F ZINC000045419204 728002011 /nfs/dbraw/zinc/00/20/11/728002011.db2.gz RHEXNYFAPXSGIK-OCCSQVGLSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2F)ccc1F ZINC000102252186 728489953 /nfs/dbraw/zinc/48/99/53/728489953.db2.gz UHZRRQRXRKJNMY-UHFFFAOYSA-N -1 3 366.389 2.706 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C3CC3)CCC2)ccc1F ZINC000120574432 728612864 /nfs/dbraw/zinc/61/28/64/728612864.db2.gz SIVRXYZTQHYAAZ-UHFFFAOYSA-N -1 3 366.458 2.600 20 30 FFEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000167025485 728978344 /nfs/dbraw/zinc/97/83/44/728978344.db2.gz AGDRVUCQJPCZBH-ZETCQYMHSA-N -1 3 367.062 2.512 20 30 FFEDHM C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000191058437 729414208 /nfs/dbraw/zinc/41/42/08/729414208.db2.gz ZIUWXDHTGHLEOH-UHFFFAOYSA-N -1 3 356.447 2.809 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@H]2C)ccc1F ZINC000195658184 729541056 /nfs/dbraw/zinc/54/10/56/729541056.db2.gz CCHWLHITGGMIRA-HIFRSBDPSA-N -1 3 368.474 2.846 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CC=CCC2)ccc1F ZINC000302977051 729733182 /nfs/dbraw/zinc/73/31/82/729733182.db2.gz SHDHUWWXKLDASW-ZDUSSCGKSA-N -1 3 353.415 2.803 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ncoc3C(C)C)sc2C1 ZINC000857678941 730406166 /nfs/dbraw/zinc/40/61/66/730406166.db2.gz QUPFGWDRONSPKW-UHFFFAOYSA-N -1 3 358.423 2.888 20 30 FFEDHM N#Cc1ccnc(N2CCN(Cc3c([O-])cccc3Br)CC2)c1 ZINC000862215150 730677042 /nfs/dbraw/zinc/67/70/42/730677042.db2.gz DRZMFLKLKSFZGT-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM CCC(=NNC(=S)NCCCOC)c1cc(Br)ccc1[O-] ZINC000916606263 737715314 /nfs/dbraw/zinc/71/53/14/737715314.db2.gz AYDAWRASCOQMRK-UHFFFAOYSA-N -1 3 374.304 2.769 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CCCC1 ZINC000867457901 731187927 /nfs/dbraw/zinc/18/79/27/731187927.db2.gz SPYIYQZHPUWSQM-UHFFFAOYSA-N -1 3 356.860 2.707 20 30 FFEDHM CC(C)(C)n1ncc(C(=O)[N-]Oc2cccc(C#N)c2)c1Br ZINC000870690423 731545056 /nfs/dbraw/zinc/54/50/56/731545056.db2.gz OKMKYAMYMVHPIT-UHFFFAOYSA-N -1 3 363.215 2.996 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2sc3nccn3c2C)c1 ZINC000780305330 738531817 /nfs/dbraw/zinc/53/18/17/738531817.db2.gz HKJZBBBORDSIRE-CYBMUJFWSA-N -1 3 354.391 2.674 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)cccc2C#N)cs1 ZINC000872460428 731772546 /nfs/dbraw/zinc/77/25/46/731772546.db2.gz GEGRUQYROGBKSC-LLVKDONJSA-N -1 3 351.453 2.509 20 30 FFEDHM O=C(Nc1ccc(Cl)c(Br)c1)N[C@H]1CCCN([O-])C1=O ZINC000878907157 732613227 /nfs/dbraw/zinc/61/32/27/732613227.db2.gz ZADFUFJZXLEXHY-JTQLQIEISA-N -1 3 362.611 2.604 20 30 FFEDHM COC(=O)[C@H](CC1CCOCC1)/N=C/c1cc(Br)ccc1[O-] ZINC000887268090 733902695 /nfs/dbraw/zinc/90/26/95/733902695.db2.gz BSYPDGXXHXLHDF-XKYMITNMSA-N -1 3 370.243 2.932 20 30 FFEDHM COC(=O)[C@H](C[C@H]1CCCO1)/N=C\c1cc(Br)ccc1[O-] ZINC000887272955 733903108 /nfs/dbraw/zinc/90/31/08/733903108.db2.gz ZCEDLOUFZCWNDB-JZPXEFJASA-N -1 3 356.216 2.684 20 30 FFEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000726559892 734434854 /nfs/dbraw/zinc/43/48/54/734434854.db2.gz PHRXVNGXCIDIQQ-ZDUSSCGKSA-N -1 3 369.462 2.571 20 30 FFEDHM [O-]c1ccc(Br)cc1/C=N/Cc1nnnn1-c1ccccc1 ZINC000730434762 734636625 /nfs/dbraw/zinc/63/66/25/734636625.db2.gz SGLLOWAKRXXJKW-RQZCQDPDSA-N -1 3 358.199 2.750 20 30 FFEDHM C#CCC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000733323041 734809060 /nfs/dbraw/zinc/80/90/60/734809060.db2.gz ZNZBMPOJYBWMIK-UHFFFAOYSA-N -1 3 371.281 2.874 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])cn1 ZINC000748309576 735634529 /nfs/dbraw/zinc/63/45/29/735634529.db2.gz NTOMCLPAXUTICW-UHFFFAOYSA-N -1 3 364.142 2.625 20 30 FFEDHM CC(C)NS(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901375913 735772106 /nfs/dbraw/zinc/77/21/06/735772106.db2.gz NQAANWNLDQTKLE-UHFFFAOYSA-N -1 3 366.414 2.544 20 30 FFEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3cccc(C#N)c3)cs2)o1 ZINC000752376745 735981080 /nfs/dbraw/zinc/98/10/80/735981080.db2.gz VTSDHXMRVWQKHA-UHFFFAOYSA-N -1 3 373.415 2.931 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000903630456 736130545 /nfs/dbraw/zinc/13/05/45/736130545.db2.gz UMNDBGYJEWEARS-AWEZNQCLSA-N -1 3 353.494 2.734 20 30 FFEDHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904188857 736231859 /nfs/dbraw/zinc/23/18/59/736231859.db2.gz QNUCQTXGCGVXNM-UHFFFAOYSA-N -1 3 372.830 2.523 20 30 FFEDHM CCCCN([O-])C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC000904208208 736233748 /nfs/dbraw/zinc/23/37/48/736233748.db2.gz QLLWYEVHPXGIEE-UHFFFAOYSA-N -1 3 359.352 2.710 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(C)C ZINC000763554134 736947722 /nfs/dbraw/zinc/94/77/22/736947722.db2.gz NAHZBAPFRCXZNF-ZFWWWQNUSA-N -1 3 366.483 2.872 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H](C#N)C(C)(C)C)cc1 ZINC000765634748 737139823 /nfs/dbraw/zinc/13/98/23/737139823.db2.gz QNGRDPYFYYCTNL-OAHLLOKOSA-N -1 3 368.455 2.697 20 30 FFEDHM CCCCCCCOC(=O)[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000918492898 737806771 /nfs/dbraw/zinc/80/67/71/737806771.db2.gz CWGWIECMWUIRDX-CYBMUJFWSA-N -1 3 352.456 2.627 20 30 FFEDHM COCCOc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000920383715 737904336 /nfs/dbraw/zinc/90/43/36/737904336.db2.gz JJWPNPOORMJFNM-UHFFFAOYSA-N -1 3 362.451 2.555 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1C ZINC000773975155 737949959 /nfs/dbraw/zinc/94/99/59/737949959.db2.gz GBSUBQUDCWHVGN-LLVKDONJSA-N -1 3 367.192 2.697 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000793373168 739775363 /nfs/dbraw/zinc/77/53/63/739775363.db2.gz HGDKUTKXKMCBLX-SFHVURJKSA-N -1 3 357.431 2.850 20 30 FFEDHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000794024805 739842124 /nfs/dbraw/zinc/84/21/24/739842124.db2.gz CLCZRQMBYFVLPE-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM COc1cc(C=NOCCSC)cc(I)c1[O-] ZINC000794573715 739906011 /nfs/dbraw/zinc/90/60/11/739906011.db2.gz HXDFOPCTOPXXIQ-UHFFFAOYSA-N -1 3 367.208 2.719 20 30 FFEDHM CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794935793 739944409 /nfs/dbraw/zinc/94/44/09/739944409.db2.gz UPMMCTZUCGNSMN-SOFGYWHQSA-N -1 3 353.346 2.938 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795630472 740046245 /nfs/dbraw/zinc/04/62/45/740046245.db2.gz QGRDLSXZUXAJLT-CYBMUJFWSA-N -1 3 371.256 2.650 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796707088 740174260 /nfs/dbraw/zinc/17/42/60/740174260.db2.gz AOWCOURPHPJQDY-QMMMGPOBSA-N -1 3 350.318 2.536 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000797827133 740277117 /nfs/dbraw/zinc/27/71/17/740277117.db2.gz VXBSTOTVGKPROG-GFCCVEGCSA-N -1 3 357.781 2.585 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(C)(C)C ZINC000805148443 740946137 /nfs/dbraw/zinc/94/61/37/740946137.db2.gz BRPYPOOCHMDEHN-SECBINFHSA-N -1 3 363.888 2.823 20 30 FFEDHM CC(C)CCOC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000807368250 741130787 /nfs/dbraw/zinc/13/07/87/741130787.db2.gz DRTCIEPULJUWAO-HNNXBMFYSA-N -1 3 366.483 2.729 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@H]2CC[C@@H](C#N)CC2)ccc1F ZINC000809089797 741282203 /nfs/dbraw/zinc/28/22/03/741282203.db2.gz QROGGQSTPPPIEG-TXEJJXNPSA-N -1 3 354.403 2.684 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2ccnc(C(F)(F)F)c2)c1 ZINC000811185396 741491566 /nfs/dbraw/zinc/49/15/66/741491566.db2.gz KQVOULBKDCYCPG-UHFFFAOYSA-N -1 3 350.252 2.717 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Cc2cccc(Br)c2)c1 ZINC000811184259 741491724 /nfs/dbraw/zinc/49/17/24/741491724.db2.gz KSNZHZYXBYPRHR-UHFFFAOYSA-N -1 3 374.190 2.995 20 30 FFEDHM COC(=O)CCC[C@@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000814816719 741867429 /nfs/dbraw/zinc/86/74/29/741867429.db2.gz SEXWNUFNDQTNLJ-HNNXBMFYSA-N -1 3 366.483 2.996 20 30 FFEDHM Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CCN([O-])C2=O)c(C)c1 ZINC000816692173 742053719 /nfs/dbraw/zinc/05/37/19/742053719.db2.gz IFMGPKWNUAJQRM-CQSZACIVSA-N -1 3 357.435 2.570 20 30 FFEDHM C=C(C)CNC(=S)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817568532 742170396 /nfs/dbraw/zinc/17/03/96/742170396.db2.gz VFEKEFWTOKFEPN-LBPRGKRZSA-N -1 3 357.401 2.547 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000820143468 742467663 /nfs/dbraw/zinc/46/76/63/742467663.db2.gz JMSFIMWXDKVBPA-LLVKDONJSA-N -1 3 354.284 2.685 20 30 FFEDHM Cc1cc2cc(C(=O)N[C@H]3CCCN([O-])C3=O)oc2c(Br)c1 ZINC000820471510 742508869 /nfs/dbraw/zinc/50/88/69/742508869.db2.gz XRWZZHHBIVFARY-NSHDSACASA-N -1 3 367.199 2.614 20 30 FFEDHM CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820482852 742510773 /nfs/dbraw/zinc/51/07/73/742510773.db2.gz SNVOHNLBBAZVAW-BXUZGUMPSA-N -1 3 369.259 2.514 20 30 FFEDHM COc1ccc(CC/N=C/c2c([O-])c(C)ncc2CO)c(Cl)c1OC ZINC000840704512 747162668 /nfs/dbraw/zinc/16/26/68/747162668.db2.gz BFKBVMKKWUYDGI-AWQFTUOYSA-N -1 3 364.829 2.920 20 30 FFEDHM N#Cc1cc(Br)ccc1CC(=O)[N-]OCCC(F)(F)F ZINC000845960501 748362240 /nfs/dbraw/zinc/36/22/40/748362240.db2.gz IGLUMIWOWJGTRD-UHFFFAOYSA-N -1 3 351.122 2.863 20 30 FFEDHM C#CCCC[C@@H](C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000847861930 748799593 /nfs/dbraw/zinc/79/95/93/748799593.db2.gz ATMBLQWVFIQFSI-OAHLLOKOSA-N -1 3 367.467 2.951 20 30 FFEDHM C=CCCCCCNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000848293240 748894899 /nfs/dbraw/zinc/89/48/99/748894899.db2.gz CSQLXHBQGWMOEG-CYBMUJFWSA-N -1 3 373.906 2.655 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1 ZINC000848694872 748987236 /nfs/dbraw/zinc/98/72/36/748987236.db2.gz KHCWCMWZXIMOOW-INIZCTEOSA-N -1 3 356.419 2.527 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1C[C@@H](OCC(F)F)C1 ZINC000851518432 749609927 /nfs/dbraw/zinc/60/99/27/749609927.db2.gz IUMKLMSLTNKOGM-TXEJJXNPSA-N -1 3 354.353 2.564 20 30 FFEDHM Cn1nc2c(c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl)CCCC2 ZINC000601961357 845986225 /nfs/dbraw/zinc/98/62/25/845986225.db2.gz CPYVHOADZQEGCO-UHFFFAOYSA-N -1 3 350.831 2.625 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823903678 946510226 /nfs/dbraw/zinc/51/02/26/946510226.db2.gz HGHFQXCTPQJNIF-AWEZNQCLSA-N -1 3 366.425 2.961 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823903678 946510241 /nfs/dbraw/zinc/51/02/41/946510241.db2.gz HGHFQXCTPQJNIF-AWEZNQCLSA-N -1 3 366.425 2.961 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(=C)CC1 ZINC001573283360 946713459 /nfs/dbraw/zinc/71/34/59/946713459.db2.gz RYBYPFGKQJPVQS-UHFFFAOYSA-N -1 3 374.452 2.695 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(=C)CC1 ZINC001573283360 946713470 /nfs/dbraw/zinc/71/34/70/946713470.db2.gz RYBYPFGKQJPVQS-UHFFFAOYSA-N -1 3 374.452 2.695 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573293188 946952038 /nfs/dbraw/zinc/95/20/38/946952038.db2.gz NYTANNYICRPTNS-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573293188 946952045 /nfs/dbraw/zinc/95/20/45/946952045.db2.gz NYTANNYICRPTNS-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C1CCC(C(=O)NC[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)C)CC1 ZINC001573295671 947025115 /nfs/dbraw/zinc/02/51/15/947025115.db2.gz HKCFBANPOPCYOP-INIZCTEOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CCC(C(=O)NC[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)C)CC1 ZINC001573295671 947025126 /nfs/dbraw/zinc/02/51/26/947025126.db2.gz HKCFBANPOPCYOP-INIZCTEOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573305710 947158836 /nfs/dbraw/zinc/15/88/36/947158836.db2.gz TXEUIDWCQLBSDE-KGLIPLIRSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573305710 947158842 /nfs/dbraw/zinc/15/88/42/947158842.db2.gz TXEUIDWCQLBSDE-KGLIPLIRSA-N -1 3 369.473 2.655 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573306302 947169254 /nfs/dbraw/zinc/16/92/54/947169254.db2.gz JNXMMOHXFXQAFF-MOPGFXCFSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573306302 947169265 /nfs/dbraw/zinc/16/92/65/947169265.db2.gz JNXMMOHXFXQAFF-MOPGFXCFSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(Cl)ncc1F ZINC001573341455 947529565 /nfs/dbraw/zinc/52/95/65/947529565.db2.gz MXJAFBAGNGBKCO-UHFFFAOYSA-N -1 3 372.791 2.883 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(Cl)ncc1F ZINC001573341455 947529571 /nfs/dbraw/zinc/52/95/71/947529571.db2.gz MXJAFBAGNGBKCO-UHFFFAOYSA-N -1 3 372.791 2.883 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475652 948376919 /nfs/dbraw/zinc/37/69/19/948376919.db2.gz MJYKWPAJYOVREO-XFSBKJJWSA-N -1 3 373.325 2.634 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475652 948376926 /nfs/dbraw/zinc/37/69/26/948376926.db2.gz MJYKWPAJYOVREO-XFSBKJJWSA-N -1 3 373.325 2.634 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC(C)C)c2)c1 ZINC000759832820 971780100 /nfs/dbraw/zinc/78/01/00/971780100.db2.gz ILHPGBDWMRBXIU-MRXNPFEDSA-N -1 3 353.378 2.839 20 30 FFEDHM N#Cc1ccc(CN(CCC(=O)[O-])C2CCOCC2)c(Br)c1 ZINC001594618697 956267012 /nfs/dbraw/zinc/26/70/12/956267012.db2.gz WPHOJMWHBOELHP-UHFFFAOYSA-N -1 3 367.243 2.776 20 30 FFEDHM N#CC(=C([O-])c1ccccc1S(=O)(=O)N1CCCCC1)c1ccccn1 ZINC000049457063 958816382 /nfs/dbraw/zinc/81/63/82/958816382.db2.gz PUBHNQCHJOHMSQ-INIZCTEOSA-N -1 3 369.446 2.746 20 30 FFEDHM N#Cc1ccccc1N1CCC(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000825637088 1013314435 /nfs/dbraw/zinc/31/44/35/1013314435.db2.gz ODMYMEIXGSSABR-UHFFFAOYSA-N -1 3 353.397 2.731 20 30 FFEDHM Cc1sc(NC(=O)CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c(C#N)c1C ZINC001175861806 1013581113 /nfs/dbraw/zinc/58/11/13/1013581113.db2.gz QRPUNIAZEWZXPA-UHFFFAOYSA-N -1 3 369.450 2.564 20 30 FFEDHM CC#CCCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875504950 1014036579 /nfs/dbraw/zinc/03/65/79/1014036579.db2.gz WPTUILVWXXEJOV-ZDUSSCGKSA-N -1 3 367.371 2.782 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3C)ccc1F ZINC000125961325 1014281740 /nfs/dbraw/zinc/28/17/40/1014281740.db2.gz MDRWDJKBDVAXQQ-UHFFFAOYSA-N -1 3 374.437 2.801 20 30 FFEDHM CC(C)c1ccc2ncc(C#N)c(N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)c2c1 ZINC000897347423 979129188 /nfs/dbraw/zinc/12/91/88/979129188.db2.gz MLTFRRZQRCWTSZ-INIZCTEOSA-N -1 3 374.448 2.838 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)cc1 ZINC000436692417 980358353 /nfs/dbraw/zinc/35/83/53/980358353.db2.gz XZKDNEQILHIYIM-UHFFFAOYSA-N -1 3 366.373 2.676 20 30 FFEDHM C=CCCC[C@@H](NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)C(=O)[O-] ZINC000910916549 982163330 /nfs/dbraw/zinc/16/33/30/982163330.db2.gz XWZSJYRGAYHJTP-LJQANCHMSA-N -1 3 373.497 2.756 20 30 FFEDHM C=CCCC[C@H](NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)C(=O)[O-] ZINC000910916548 982163462 /nfs/dbraw/zinc/16/34/62/982163462.db2.gz XWZSJYRGAYHJTP-IBGZPJMESA-N -1 3 373.497 2.756 20 30 FFEDHM N#CC(=C([O-])c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccncn1 ZINC000760360531 982377382 /nfs/dbraw/zinc/37/73/82/982377382.db2.gz ZWPPKUXJTIGIMM-OAHLLOKOSA-N -1 3 351.366 2.865 20 30 FFEDHM CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000878304951 1014977518 /nfs/dbraw/zinc/97/75/18/1014977518.db2.gz SNVGUIWOXWCVQQ-INIZCTEOSA-N -1 3 371.441 2.557 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000150832608 984087803 /nfs/dbraw/zinc/08/78/03/984087803.db2.gz GIGHVNWJOQMQPT-UHFFFAOYSA-N -1 3 351.406 2.786 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000916890153 990011990 /nfs/dbraw/zinc/01/19/90/990011990.db2.gz HPGQZPUVFXQGGE-AWEZNQCLSA-N -1 3 369.333 2.573 20 30 FFEDHM COc1ccc(CNN=C(C)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000917547371 990237590 /nfs/dbraw/zinc/23/75/90/990237590.db2.gz PKIUBHUGBBGNRP-UHFFFAOYSA-N -1 3 369.465 2.747 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)n[n-]2)o1 ZINC000919323827 990619320 /nfs/dbraw/zinc/61/93/20/990619320.db2.gz BMXUWJZPAILCPA-UHFFFAOYSA-N -1 3 370.409 2.820 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)[n-]n2)o1 ZINC000919323827 990619327 /nfs/dbraw/zinc/61/93/27/990619327.db2.gz BMXUWJZPAILCPA-UHFFFAOYSA-N -1 3 370.409 2.820 20 30 FFEDHM CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598509146 992545507 /nfs/dbraw/zinc/54/55/07/992545507.db2.gz DQTDTWSTBLTWBV-AWEZNQCLSA-N -1 3 354.353 2.614 20 30 FFEDHM Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cccc1[N+](=O)[O-] ZINC000811184972 995050569 /nfs/dbraw/zinc/05/05/69/995050569.db2.gz GECIWJQNYXZPNT-LLVKDONJSA-N -1 3 369.333 2.665 20 30 FFEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000811188026 995051667 /nfs/dbraw/zinc/05/16/67/995051667.db2.gz SXEGQIITSXRIQE-HBUWYVDXSA-N -1 3 358.438 2.950 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000811187178 995052195 /nfs/dbraw/zinc/05/21/95/995052195.db2.gz ANHQWMFFAAXPGY-UHFFFAOYSA-N -1 3 354.406 2.506 20 30 FFEDHM CCOC(=O)C1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)CCOCC1 ZINC000813218660 995640057 /nfs/dbraw/zinc/64/00/57/995640057.db2.gz REYQAEUYPZWXPL-GFCCVEGCSA-N -1 3 370.327 2.637 20 30 FFEDHM CC(C)Oc1ccc(NC(=S)NN=C2C(=O)Nc3cc([O-])ccc32)cc1 ZINC000727257909 995737790 /nfs/dbraw/zinc/73/77/90/995737790.db2.gz JYHUMKBIBSPJLY-UHFFFAOYSA-N -1 3 370.434 2.822 20 30 FFEDHM C[C@]1(C(=O)[O-])CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC001593777537 996485984 /nfs/dbraw/zinc/48/59/84/996485984.db2.gz ZEEDGEMWQJAQEC-XIKOKIGWSA-N -1 3 357.435 2.659 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CNc2ccc(O)cc2)c(C)c1[O-] ZINC001144572341 998661069 /nfs/dbraw/zinc/66/10/69/998661069.db2.gz LBOMULYYSCPILN-UHFFFAOYSA-N -1 3 369.377 2.505 20 30 FFEDHM COc1cccc([C@H](C#N)NC(=O)c2ccc(C(C)=O)c([O-])c2)c1OC ZINC001144584584 998666463 /nfs/dbraw/zinc/66/64/63/998666463.db2.gz AWYYJALQPQXBCM-HNNXBMFYSA-N -1 3 354.362 2.607 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(OC)nc1 ZINC000734078840 999191808 /nfs/dbraw/zinc/19/18/08/999191808.db2.gz BAFHTLIUSNVUQS-OAHLLOKOSA-N -1 3 352.394 2.571 20 30 FFEDHM CCCn1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cn1 ZINC000734978097 999377196 /nfs/dbraw/zinc/37/71/96/999377196.db2.gz SIZUBRUDSNKWBV-OAHLLOKOSA-N -1 3 370.438 2.568 20 30 FFEDHM Cc1ccc(NCCC/N=C/c2c([O-])c(C)ncc2CO)c([N+](=O)[O-])c1 ZINC000739424988 999646350 /nfs/dbraw/zinc/64/63/50/999646350.db2.gz ADHGSLFNVWHDOL-VXLYETTFSA-N -1 3 358.398 2.726 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C2CCC(NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000739426529 999646900 /nfs/dbraw/zinc/64/69/00/999646900.db2.gz MVVRPOYDGQLKQP-UFFVCSGVSA-N -1 3 363.458 2.843 20 30 FFEDHM N#Cc1ccc(-c2nnc(CO[N-]C(=O)CCOc3ccccc3)o2)cc1 ZINC000742358310 999770198 /nfs/dbraw/zinc/77/01/98/999770198.db2.gz AJVODCYHGDWBFJ-UHFFFAOYSA-N -1 3 364.361 2.625 20 30 FFEDHM Cc1cccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000742464432 999774977 /nfs/dbraw/zinc/77/49/77/999774977.db2.gz GETYKVJZEZYFHL-ZDUSSCGKSA-N -1 3 371.462 2.759 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1ccc2c(c1)CCO2 ZINC000744589286 999864154 /nfs/dbraw/zinc/86/41/54/999864154.db2.gz DNHXYWBQNYHGID-UHFFFAOYSA-N -1 3 366.417 2.929 20 30 FFEDHM COc1cc(CN=Nc2oc(CC(C)C)nc2C#N)c([N+](=O)[O-])cc1[O-] ZINC000745612830 999923179 /nfs/dbraw/zinc/92/31/79/999923179.db2.gz AOSUXESVOUAMFV-UHFFFAOYSA-N -1 3 359.342 2.813 20 30 FFEDHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000846538849 1000356548 /nfs/dbraw/zinc/35/65/48/1000356548.db2.gz VUQUXRPDWIDGSJ-ZDUSSCGKSA-N -1 3 368.380 2.764 20 30 FFEDHM C[C@@H]1C[C@H](C)CN([C@H]2CCCCC2=NNc2nc(=O)c3cnn(C)c3[n-]2)C1 ZINC000769818462 1000598383 /nfs/dbraw/zinc/59/83/83/1000598383.db2.gz UYZVFNHAXGRNKJ-ZENOOKHLSA-N -1 3 371.489 2.757 20 30 FFEDHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000769957785 1000635655 /nfs/dbraw/zinc/63/56/55/1000635655.db2.gz MTKPOIDPDRNNLA-AWEZNQCLSA-N -1 3 359.426 2.540 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(OC)c(O)c2)c(C)c1[O-] ZINC001148267288 1001095087 /nfs/dbraw/zinc/09/50/87/1001095087.db2.gz NQQPFIKPEYPSEQ-UHFFFAOYSA-N -1 3 370.361 2.716 20 30 FFEDHM COc1cc(CN=Nc2nnc(-c3ccccn3)s2)c([N+](=O)[O-])cc1[O-] ZINC000788026928 1001746568 /nfs/dbraw/zinc/74/65/68/1001746568.db2.gz HTITWNASZCXCPX-UHFFFAOYSA-N -1 3 372.366 2.669 20 30 FFEDHM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)nn2)c1 ZINC000789402387 1002071084 /nfs/dbraw/zinc/07/10/84/1002071084.db2.gz DIMXQXYSARNXDX-MRXNPFEDSA-N -1 3 363.352 2.676 20 30 FFEDHM O=C(c1ccc(=O)n(-c2ccccc2)n1)N([O-])Cc1ccccc1Cl ZINC001184284126 1002561209 /nfs/dbraw/zinc/56/12/09/1002561209.db2.gz ZEGYDWMAJDEIHW-UHFFFAOYSA-N -1 3 355.781 2.918 20 30 FFEDHM C[C@@H]1C(=O)Nc2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc2N1C ZINC000792110416 1002909113 /nfs/dbraw/zinc/90/91/13/1002909113.db2.gz LJHLDOKUWBFUPC-TZMCWYRMSA-N -1 3 371.400 2.897 20 30 FFEDHM O=S(=O)([N-]CCCCCCS)c1ccc(Br)cn1 ZINC001196189929 1003685626 /nfs/dbraw/zinc/68/56/26/1003685626.db2.gz NIPHCOKPDITXPP-UHFFFAOYSA-N -1 3 353.307 2.613 20 30 FFEDHM C#CCCCS(=O)(=O)[N-][C@H](Cc1cccc2ccccc21)C(=O)OCC ZINC000805070420 1003934534 /nfs/dbraw/zinc/93/45/34/1003934534.db2.gz XMMFEQPCODYRLZ-LJQANCHMSA-N -1 3 373.474 2.647 20 30 FFEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1cnc(C(F)F)cn1 ZINC001192558120 1004191092 /nfs/dbraw/zinc/19/10/92/1004191092.db2.gz LUDCHUUYGAFSQM-UHFFFAOYSA-N -1 3 352.304 2.995 20 30 FFEDHM N#Cc1ccnc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000807108606 1004510330 /nfs/dbraw/zinc/51/03/30/1004510330.db2.gz ZWIYYYFRIZZXGV-INIZCTEOSA-N -1 3 370.840 2.707 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccncc2OCC2CCOCC2)ccc1[O-] ZINC001199121958 1004835359 /nfs/dbraw/zinc/83/53/59/1004835359.db2.gz BHGKPOQZZZPJQV-UHFFFAOYSA-N -1 3 353.378 2.717 20 30 FFEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1cnc(OCC2CC2)cn1 ZINC001199139212 1004840738 /nfs/dbraw/zinc/84/07/38/1004840738.db2.gz WLIXPGVNBOBGBR-UHFFFAOYSA-N -1 3 372.388 2.846 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1F ZINC001201319494 1005199285 /nfs/dbraw/zinc/19/92/85/1005199285.db2.gz AWXSPKCASPYJEU-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2ncccc2OCc2ccccc2)c1 ZINC001201903028 1005286615 /nfs/dbraw/zinc/28/66/15/1005286615.db2.gz CGUSBCHENFGDKE-UHFFFAOYSA-N -1 3 369.402 2.604 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000776276081 1005340904 /nfs/dbraw/zinc/34/09/04/1005340904.db2.gz XQBAIJKTNHMLHY-KRWDZBQOSA-N -1 3 354.337 2.580 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1cn(C(C)C)nn1 ZINC000851240149 1005869007 /nfs/dbraw/zinc/86/90/07/1005869007.db2.gz DSXHIIFRGLZGQU-CYBMUJFWSA-N -1 3 357.414 2.685 20 30 FFEDHM N#Cc1cc(Br)ccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001134127933 1006168801 /nfs/dbraw/zinc/16/88/01/1006168801.db2.gz FOWPBEJYWCWRLO-UHFFFAOYSA-N -1 3 360.093 2.710 20 30 FFEDHM N#Cc1cc(Br)ccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001134127933 1006168804 /nfs/dbraw/zinc/16/88/04/1006168804.db2.gz FOWPBEJYWCWRLO-UHFFFAOYSA-N -1 3 360.093 2.710 20 30 FFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)c1 ZINC001188267575 1006493085 /nfs/dbraw/zinc/49/30/85/1006493085.db2.gz OQCCCGKJKXCMLG-UHFFFAOYSA-N -1 3 365.720 2.697 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ncc(C#N)cc2C)cc1Cl ZINC000815910118 1006823013 /nfs/dbraw/zinc/82/30/13/1006823013.db2.gz PVGZSBYYLSPRMF-CYBMUJFWSA-N -1 3 368.780 2.885 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)N[C@H]3CCN([O-])C3=O)c3ccccc3n2)cc1 ZINC000816692114 1007168258 /nfs/dbraw/zinc/16/82/58/1007168258.db2.gz GROPRWMJYKSIIQ-SFHVURJKSA-N -1 3 361.401 2.930 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000855438667 1007337837 /nfs/dbraw/zinc/33/78/37/1007337837.db2.gz MOHZPVCRNFWTPS-ZDUSSCGKSA-N -1 3 366.458 2.695 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccc(OC)nc1Cl ZINC001190085718 1007463550 /nfs/dbraw/zinc/46/35/50/1007463550.db2.gz NPGMESOGNKJFPQ-UHFFFAOYSA-N -1 3 351.771 2.716 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c([N+](=O)[O-])s1 ZINC001190198462 1007520183 /nfs/dbraw/zinc/52/01/83/1007520183.db2.gz NDYQXHOLHPIYLQ-UHFFFAOYSA-N -1 3 363.420 2.804 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ncc(F)cc1F)c1cccc(C#N)c1 ZINC001190209587 1007525938 /nfs/dbraw/zinc/52/59/38/1007525938.db2.gz UAFWULDVIALWEH-OAHLLOKOSA-N -1 3 351.378 2.907 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001190663420 1007723175 /nfs/dbraw/zinc/72/31/75/1007723175.db2.gz UYBRDTQRPFLJQC-QGZVFWFLSA-N -1 3 373.453 2.640 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c1 ZINC001190682236 1007747742 /nfs/dbraw/zinc/74/77/42/1007747742.db2.gz XECVELJPYMEBFQ-CYBMUJFWSA-N -1 3 372.780 2.502 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-][C@H](Cc2ccc(Cl)cc2)C(=O)OCC)CC1 ZINC001190834463 1007801960 /nfs/dbraw/zinc/80/19/60/1007801960.db2.gz GWSHJCFJMLQMPG-OAHLLOKOSA-N -1 3 371.886 2.842 20 30 FFEDHM COc1ccc2c(c1)n(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[nH]c2=O ZINC000819956337 1008252713 /nfs/dbraw/zinc/25/27/13/1008252713.db2.gz VWBWBQDXWAVJDY-UHFFFAOYSA-N -1 3 366.377 2.613 20 30 FFEDHM N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000820186073 1008301805 /nfs/dbraw/zinc/30/18/05/1008301805.db2.gz UPLHSDNSGGNJJQ-MRXNPFEDSA-N -1 3 367.430 2.570 20 30 FFEDHM CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820471403 1008338539 /nfs/dbraw/zinc/33/85/39/1008338539.db2.gz VDNQSPULNRCGNK-DOOKAGJSSA-N -1 3 369.421 2.533 20 30 FFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1s[n-]c(=O)c1Cl ZINC001136488275 1008484000 /nfs/dbraw/zinc/48/40/00/1008484000.db2.gz JVUUCTIWNSFVLU-UHFFFAOYSA-N -1 3 364.858 2.578 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCC2(CCC2)O1 ZINC000886068941 1008531048 /nfs/dbraw/zinc/53/10/48/1008531048.db2.gz AWVWFKHGOYYQGA-HNNXBMFYSA-N -1 3 357.454 2.816 20 30 FFEDHM O=C(C#Cc1ccc(F)cc1F)Nc1ncc([O-])cc1Br ZINC001178568468 1009045224 /nfs/dbraw/zinc/04/52/24/1009045224.db2.gz ONHNROKPKWPNCG-UHFFFAOYSA-N -1 3 353.122 2.818 20 30 FFEDHM C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183604 1009272475 /nfs/dbraw/zinc/27/24/75/1009272475.db2.gz VLYGBCBIMZELKL-MRVPVSSYSA-N -1 3 367.306 2.743 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2ccccc2C#N)c(C)c1[O-] ZINC001181799854 1010250920 /nfs/dbraw/zinc/25/09/20/1010250920.db2.gz PILVSESPMNUCAT-UHFFFAOYSA-N -1 3 363.373 2.802 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(C)C)cn2)cc1 ZINC000774057017 1010445324 /nfs/dbraw/zinc/44/53/24/1010445324.db2.gz ZVJLJYSFRKDUQX-INIZCTEOSA-N -1 3 353.378 2.839 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C3CCCC3)n2)cc1 ZINC000121601331 1011056094 /nfs/dbraw/zinc/05/60/94/1011056094.db2.gz FFTNKPZDGIBAIC-MRXNPFEDSA-N -1 3 352.394 2.968 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN(C(=O)c3cc([O-])cc(Cl)c3)CC2)C1=O ZINC001275686230 1012858026 /nfs/dbraw/zinc/85/80/26/1012858026.db2.gz DTDQJNVYBWJDSH-IBGZPJMESA-N -1 3 360.841 2.524 20 30 FFEDHM Cc1nsc(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccccc3[O-])C2)c1C#N ZINC001055491544 1017595831 /nfs/dbraw/zinc/59/58/31/1017595831.db2.gz MHMQNDHFXNVQEN-DJJJIMSYSA-N -1 3 368.462 2.818 20 30 FFEDHM C=CCOC[C@@H](NCc1c(C)nn(-c2ccc(F)cc2F)c1C)C(=O)[O-] ZINC000901809020 1019491864 /nfs/dbraw/zinc/49/18/64/1019491864.db2.gz AWEVIDUSBVHWJJ-MRXNPFEDSA-N -1 3 365.380 2.513 20 30 FFEDHM COCCOc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000802040087 1019662354 /nfs/dbraw/zinc/66/23/54/1019662354.db2.gz FUWYJGSOSXKMCV-INIZCTEOSA-N -1 3 373.796 2.721 20 30 FFEDHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1cc(C)ncc1C#N ZINC001048526695 1020277626 /nfs/dbraw/zinc/27/76/26/1020277626.db2.gz PBNKFFRQYFYHFO-DLBZAZTESA-N -1 3 350.422 2.755 20 30 FFEDHM C#C[C@H](C)Oc1ccc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000802810111 1020422462 /nfs/dbraw/zinc/42/24/62/1020422462.db2.gz WUGDNJVLGQEGMJ-AWEZNQCLSA-N -1 3 373.430 2.816 20 30 FFEDHM N#Cc1ccccc1N1CCC(NC(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000749534599 1021003279 /nfs/dbraw/zinc/00/32/79/1021003279.db2.gz ZLWFHQZFIIISAC-UHFFFAOYSA-N -1 3 373.416 2.606 20 30 FFEDHM CC(=NNCc1ccc(F)cc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC001116291791 1021156019 /nfs/dbraw/zinc/15/60/19/1021156019.db2.gz VWVCWVGCRJLSMR-UHFFFAOYSA-N -1 3 357.429 2.877 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc([N+](=O)[O-])cc1C#N ZINC001116368715 1021182104 /nfs/dbraw/zinc/18/21/04/1021182104.db2.gz CQVVAAPJTJYVEC-UHFFFAOYSA-N -1 3 364.358 2.589 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1 ZINC001122543066 1023329659 /nfs/dbraw/zinc/32/96/59/1023329659.db2.gz ZNACYVALEOLUNQ-SNVBAGLBSA-N -1 3 362.336 2.718 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)cc1 ZINC000754821886 1023523221 /nfs/dbraw/zinc/52/32/21/1023523221.db2.gz FTIJLAORFJZKBZ-OAHLLOKOSA-N -1 3 353.378 2.839 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H](OC)C1 ZINC001121572594 1023855859 /nfs/dbraw/zinc/85/58/59/1023855859.db2.gz LDNRKELNUORGSK-LLVKDONJSA-N -1 3 357.439 2.672 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)[C@H]1Cc2ccccc21 ZINC000795402770 1025942206 /nfs/dbraw/zinc/94/22/06/1025942206.db2.gz DRROAPIIDCFBEE-KRWDZBQOSA-N -1 3 364.401 2.661 20 30 FFEDHM N#Cc1ccc(C[C@H](C#N)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000795826105 1028170825 /nfs/dbraw/zinc/17/08/25/1028170825.db2.gz SANRHWYMMNOQMZ-OAHLLOKOSA-N -1 3 374.356 2.740 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC001161827145 1028326886 /nfs/dbraw/zinc/32/68/86/1028326886.db2.gz VXGGBWKTHZTOGH-FQEVSTJZSA-N -1 3 373.453 2.784 20 30 FFEDHM C[C@@H]1CN(c2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cn2)C[C@H](C)O1 ZINC001161842688 1028331878 /nfs/dbraw/zinc/33/18/78/1028331878.db2.gz LTZAHINVJORRRI-OKILXGFUSA-N -1 3 359.401 2.866 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3ccc(-c4c[nH]cn4)cc3)cc(=O)c2c1 ZINC001154560486 1028354644 /nfs/dbraw/zinc/35/46/44/1028354644.db2.gz LDEXSBXWGAQOEI-UHFFFAOYSA-N -1 3 369.384 2.720 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@H](C)c2nnc3ccccn32)n1 ZINC001154808087 1028463551 /nfs/dbraw/zinc/46/35/51/1028463551.db2.gz WRKPPHWNKFUZKQ-XUNMKLQISA-N -1 3 363.834 2.876 20 30 FFEDHM CN(C)C(=O)c1ccnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001163765053 1029052317 /nfs/dbraw/zinc/05/23/17/1029052317.db2.gz KYVAVERMIFNETP-UHFFFAOYSA-N -1 3 368.315 2.930 20 30 FFEDHM CN(C)C(=O)c1cccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163765356 1029055831 /nfs/dbraw/zinc/05/58/31/1029055831.db2.gz QNYNOLURNGWDFJ-UHFFFAOYSA-N -1 3 368.315 2.930 20 30 FFEDHM CNC(=O)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001163765710 1029056103 /nfs/dbraw/zinc/05/61/03/1029056103.db2.gz WKRFJPBXFQSOPZ-UHFFFAOYSA-N -1 3 354.288 2.588 20 30 FFEDHM Cc1c2nc(N=C(NC#N)c3ccncc3)[n-]c2ncc1Br ZINC001164522894 1029305907 /nfs/dbraw/zinc/30/59/07/1029305907.db2.gz MEBBTSFESRCYJT-UHFFFAOYSA-N -1 3 356.187 2.764 20 30 FFEDHM N#Cc1cc(NC(=O)c2ncn3cc(Br)ccc23)ccc1[O-] ZINC001157263638 1029526874 /nfs/dbraw/zinc/52/68/74/1029526874.db2.gz GAJVHAJKJDMBGB-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)C(=O)c1ccccc1 ZINC001142691544 1030726950 /nfs/dbraw/zinc/72/69/50/1030726950.db2.gz GTCNCPOAMCBKSE-UHFFFAOYSA-N -1 3 352.268 2.720 20 30 FFEDHM C=CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(CCCC)cc2)nn1 ZINC000842687541 1030900493 /nfs/dbraw/zinc/90/04/93/1030900493.db2.gz YHGOUVBZYVYZDG-MRXNPFEDSA-N -1 3 351.410 2.768 20 30 FFEDHM C=CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)nn1 ZINC000842690493 1030904608 /nfs/dbraw/zinc/90/46/08/1030904608.db2.gz VSWVHPWRJBKRDN-CJNGLKHVSA-N -1 3 351.410 2.939 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn3c2OCCC3)cc1 ZINC000796747595 1030905107 /nfs/dbraw/zinc/90/51/07/1030905107.db2.gz PXMQXYQQICIRBR-MRXNPFEDSA-N -1 3 366.421 2.969 20 30 FFEDHM Cc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1C(=O)c1ccccc1 ZINC001219852051 1033852313 /nfs/dbraw/zinc/85/23/13/1033852313.db2.gz GFRRQDRGOUXKKD-KRWDZBQOSA-N -1 3 367.405 2.728 20 30 FFEDHM N#CCCCN1CC[C@]2(CCN(Cc3cc(Cl)c([O-])cc3F)C2)C1=O ZINC001277057458 1034328592 /nfs/dbraw/zinc/32/85/92/1034328592.db2.gz QVSXGFAUNIWJBT-SFHVURJKSA-N -1 3 365.836 2.913 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C[C@H]1C#N ZINC001227746562 1035713813 /nfs/dbraw/zinc/71/38/13/1035713813.db2.gz TZKKNGJUUFWTQV-NWDGAFQWSA-N -1 3 373.369 2.751 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C[C@H]1C#N ZINC001227746562 1035713825 /nfs/dbraw/zinc/71/38/25/1035713825.db2.gz TZKKNGJUUFWTQV-NWDGAFQWSA-N -1 3 373.369 2.751 20 30 FFEDHM N#Cc1ccc(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c([O-])c1 ZINC001233388241 1036588351 /nfs/dbraw/zinc/58/83/51/1036588351.db2.gz QYBLDBLWWASJEB-GOSISDBHSA-N -1 3 353.397 2.797 20 30 FFEDHM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c(F)ccc([O-])c1F ZINC001233394289 1036594215 /nfs/dbraw/zinc/59/42/15/1036594215.db2.gz IPXXJNDFUMITHR-HNNXBMFYSA-N -1 3 364.396 2.584 20 30 FFEDHM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802099 1036769792 /nfs/dbraw/zinc/76/97/92/1036769792.db2.gz GKWYJAXGIFOKKA-ZIGLPXRJSA-N -1 3 355.431 2.727 20 30 FFEDHM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1cccc([O-])c1C(N)=O ZINC001234151587 1036946255 /nfs/dbraw/zinc/94/62/55/1036946255.db2.gz DEOYKNPHGNWBSX-LBPRGKRZSA-N -1 3 365.307 2.970 20 30 FFEDHM COC(=O)[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1F ZINC001234513978 1037066360 /nfs/dbraw/zinc/06/63/60/1037066360.db2.gz PZCSYONRBVKEKB-OAHLLOKOSA-N -1 3 353.309 2.639 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN2Cc2c([O-])ccc(Cl)c2Cl)C1=O ZINC001277992287 1038168714 /nfs/dbraw/zinc/16/87/14/1038168714.db2.gz GQZNUNATPAPNFS-KRWDZBQOSA-N -1 3 353.249 2.899 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)cc1OC ZINC001257110585 1038714190 /nfs/dbraw/zinc/71/41/90/1038714190.db2.gz UWFMUQNEKASQFP-UHFFFAOYSA-N -1 3 372.324 2.794 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)cc1 ZINC001252510743 1039567136 /nfs/dbraw/zinc/56/71/36/1039567136.db2.gz CXDVOYWSZYNRNM-UHFFFAOYSA-N -1 3 373.409 2.819 20 30 FFEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(F)c1 ZINC001259124719 1039732380 /nfs/dbraw/zinc/73/23/80/1039732380.db2.gz HTJKPTXVZJWODQ-UHFFFAOYSA-N -1 3 360.366 2.841 20 30 FFEDHM Cc1nc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412769 1039983938 /nfs/dbraw/zinc/98/39/38/1039983938.db2.gz RGQBAYMWTYPPDC-UHFFFAOYSA-N -1 3 361.185 2.903 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1cccnc1C#N)c1nc2ccccc2s1 ZINC001213246819 1040371375 /nfs/dbraw/zinc/37/13/75/1040371375.db2.gz CEEIWXNDLUVDQD-UHFFFAOYSA-N -1 3 358.448 2.777 20 30 FFEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(F)c1 ZINC001260044466 1040374940 /nfs/dbraw/zinc/37/49/40/1040374940.db2.gz VCSWSRPLPGAZRB-UHFFFAOYSA-N -1 3 374.393 2.982 20 30 FFEDHM N#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC001260382302 1040568125 /nfs/dbraw/zinc/56/81/25/1040568125.db2.gz XNXURZWKWWRKPH-HOMQSWHASA-N -1 3 361.236 2.949 20 30 FFEDHM N#Cc1ccc([O-])c(Nc2ccc(OCCN3CCOCC3)cc2F)c1 ZINC001213484881 1040597679 /nfs/dbraw/zinc/59/76/79/1040597679.db2.gz HHOXHOSPXABIFS-UHFFFAOYSA-N -1 3 357.385 2.858 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc([O-])c(Nc2ccc(C#N)cc2Cl)c1 ZINC001214000192 1041148890 /nfs/dbraw/zinc/14/88/90/1041148890.db2.gz OLNVHLMOFVHQJJ-UHFFFAOYSA-N -1 3 351.815 2.911 20 30 FFEDHM Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2ccc(Cl)cc2[O-])cc1C#N ZINC001278558694 1041153970 /nfs/dbraw/zinc/15/39/70/1041153970.db2.gz XUROUSTVMOKWRV-HDICACEKSA-N -1 3 356.857 2.714 20 30 FFEDHM Cn1cc(CN2CC3(C2)CN(Cc2cc(Cl)ccc2[O-])C3)cc1C#N ZINC001278569166 1041209240 /nfs/dbraw/zinc/20/92/40/1041209240.db2.gz PWUAFQYAQWQCLO-UHFFFAOYSA-N -1 3 356.857 2.574 20 30 FFEDHM C=CCc1cccc(-c2nc3cc(S(=O)(=O)NC)ccc3n2C)c1[O-] ZINC001250712610 1041321228 /nfs/dbraw/zinc/32/12/28/1041321228.db2.gz IYFHXIFUFUUUHK-UHFFFAOYSA-N -1 3 357.435 2.583 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)CC1(C#N)CCCCC1 ZINC001261723354 1041383756 /nfs/dbraw/zinc/38/37/56/1041383756.db2.gz UCMVUDVLEFLZIH-UHFFFAOYSA-N -1 3 367.446 2.678 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC001262988426 1042012666 /nfs/dbraw/zinc/01/26/66/1042012666.db2.gz SAJKACBIUFEBIX-UKRRQHHQSA-N -1 3 372.473 2.577 20 30 FFEDHM Cn1cc(CN2CC[C@H]3[C@@H]2CCN3Cc2ccc(C(=O)[O-])s2)cc1C#N ZINC001279260280 1042971177 /nfs/dbraw/zinc/97/11/77/1042971177.db2.gz QZWSVCQLMHXINW-IRXDYDNUSA-N -1 3 370.478 2.505 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc(C(C)(C)C)co1 ZINC001539413740 1070632985 /nfs/dbraw/zinc/63/29/85/1070632985.db2.gz GWJCQSWPYDNZES-UHFFFAOYSA-N -1 3 356.426 2.810 20 30 FFEDHM CC(C)(C)OC(=O)c1cccc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC001320635205 1045440842 /nfs/dbraw/zinc/44/08/42/1045440842.db2.gz COLOGSIMSGTSIK-UHFFFAOYSA-N -1 3 372.446 2.881 20 30 FFEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001321103279 1045547284 /nfs/dbraw/zinc/54/72/84/1045547284.db2.gz KNGUFGLGSQGHPH-VIFPVBQESA-N -1 3 354.653 2.582 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc(C)n1 ZINC001324874016 1046266856 /nfs/dbraw/zinc/26/68/56/1046266856.db2.gz RVFOLURAZNJSKC-UHFFFAOYSA-N -1 3 366.240 2.555 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3nc(C)c(C#N)cc3Cl)C2)n1 ZINC001339814313 1050234685 /nfs/dbraw/zinc/23/46/85/1050234685.db2.gz ABXRMBKTZNVEBU-CYBMUJFWSA-N -1 3 358.833 2.800 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CCC1CC1)CC1CC1 ZINC001339852297 1050269565 /nfs/dbraw/zinc/26/95/65/1050269565.db2.gz FDUIOMPPQXMPGF-UHFFFAOYSA-N -1 3 354.458 2.952 20 30 FFEDHM Cc1ccc2nc(-c3cccs3)cc(C(=O)N[C@H]3CCN([O-])C3=O)c2c1 ZINC001298426359 1050441071 /nfs/dbraw/zinc/44/10/71/1050441071.db2.gz PNDZDVWLGXFUEO-HNNXBMFYSA-N -1 3 367.430 2.992 20 30 FFEDHM C#CCN(c1nnc(-c2cc(=O)[n-]c(C)n2)n1C)[C@@H]1CCCc2ccccc21 ZINC001341288758 1051645567 /nfs/dbraw/zinc/64/55/67/1051645567.db2.gz HXRZMRKILDGXFZ-GOSISDBHSA-N -1 3 374.448 2.803 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(F)cc1[N+](=O)[O-] ZINC001309438896 1052618999 /nfs/dbraw/zinc/61/89/99/1052618999.db2.gz PHCFRTGYUUFHQS-UHFFFAOYSA-N -1 3 355.391 2.651 20 30 FFEDHM COc1ccc([C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c(C)c1OC ZINC001346863610 1053388793 /nfs/dbraw/zinc/38/87/93/1053388793.db2.gz PJVNLEAPIFCXIH-LBPRGKRZSA-N -1 3 360.435 2.812 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001348652715 1054841773 /nfs/dbraw/zinc/84/17/73/1054841773.db2.gz FEUDBTDOGGICKJ-JTQLQIEISA-N -1 3 371.340 2.549 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C ZINC001337968859 1055136270 /nfs/dbraw/zinc/13/62/70/1055136270.db2.gz WNHBKLJMWKPZSX-UHFFFAOYSA-N -1 3 350.426 2.869 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001356381583 1055480250 /nfs/dbraw/zinc/48/02/50/1055480250.db2.gz PMNYWQNDJGWTPA-UHFFFAOYSA-N -1 3 366.347 2.716 20 30 FFEDHM C=CCC[C@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001350441156 1055775150 /nfs/dbraw/zinc/77/51/50/1055775150.db2.gz RJAMYIVGNRJBKG-MSOLQXFVSA-N -1 3 366.465 2.936 20 30 FFEDHM C=C[C@@H](C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001352793402 1055796882 /nfs/dbraw/zinc/79/68/82/1055796882.db2.gz JVNCRDZDTWTBMR-DLBZAZTESA-N -1 3 352.438 2.545 20 30 FFEDHM CC(C)OCc1nc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)no1 ZINC001450776997 1059052022 /nfs/dbraw/zinc/05/20/22/1059052022.db2.gz XTLJVFBWFGHQBR-NSHDSACASA-N -1 3 364.352 2.835 20 30 FFEDHM COc1cc(OC)nc(C(=O)[N-]c2nc(-c3cccc(C#N)c3)cs2)n1 ZINC001520126497 1059413256 /nfs/dbraw/zinc/41/32/56/1059413256.db2.gz MXRZTPVDXGIJKC-UHFFFAOYSA-N -1 3 367.390 2.741 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnn(C)c1OC ZINC001515357618 1059608709 /nfs/dbraw/zinc/60/87/09/1059608709.db2.gz HFSTXNORHIIGAL-CQSZACIVSA-N -1 3 354.410 2.515 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001520574803 1059818645 /nfs/dbraw/zinc/81/86/45/1059818645.db2.gz BIWJDKILKNXTRQ-SFHVURJKSA-N -1 3 372.498 2.659 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC)c1[O-] ZINC001521111219 1060398968 /nfs/dbraw/zinc/39/89/68/1060398968.db2.gz CJWCWNLOECKJPJ-CQSZACIVSA-N -1 3 371.485 2.608 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CC(F)(F)F ZINC001355900992 1060709763 /nfs/dbraw/zinc/70/97/63/1060709763.db2.gz RJKVKTIFHZFHMV-UHFFFAOYSA-N -1 3 354.336 2.503 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001460801362 1061108575 /nfs/dbraw/zinc/10/85/75/1061108575.db2.gz MBURSHVSNWTQCN-UHFFFAOYSA-N -1 3 350.357 2.676 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001460801362 1061108586 /nfs/dbraw/zinc/10/85/86/1061108586.db2.gz MBURSHVSNWTQCN-UHFFFAOYSA-N -1 3 350.357 2.676 20 30 FFEDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)cc1 ZINC001462936035 1061854044 /nfs/dbraw/zinc/85/40/44/1061854044.db2.gz ABWKRJMGFVAOFJ-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)cc1 ZINC001462936036 1061854842 /nfs/dbraw/zinc/85/48/42/1061854842.db2.gz ABWKRJMGFVAOFJ-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM Cc1oc(C(=O)[N-]c2nc3c(cc2C#N)C[C@H](C)CC3)cc1S(C)(=O)=O ZINC001463408697 1062091031 /nfs/dbraw/zinc/09/10/31/1062091031.db2.gz YMWLSZKQUTVJKL-SNVBAGLBSA-N -1 3 373.434 2.635 20 30 FFEDHM C=C(C[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccccc1 ZINC001463816684 1062278326 /nfs/dbraw/zinc/27/83/26/1062278326.db2.gz DAMUTRFAEMYWCW-QFIPXVFZSA-N -1 3 356.513 2.965 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001440675091 1063334528 /nfs/dbraw/zinc/33/45/28/1063334528.db2.gz QZHRFMVFWJDIIG-QGZVFWFLSA-N -1 3 350.422 2.534 20 30 FFEDHM N#Cc1cc(Br)ccc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC001466797846 1063559836 /nfs/dbraw/zinc/55/98/36/1063559836.db2.gz MTRNHHXBGVKBAP-UHFFFAOYSA-N -1 3 356.179 2.622 20 30 FFEDHM C[C@@H]1CC[C@@H](C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC001472618645 1065112918 /nfs/dbraw/zinc/11/29/18/1065112918.db2.gz BDWQTOXNMDHYDG-QLFBSQMISA-N -1 3 358.438 2.963 20 30 FFEDHM CCOc1ccccc1C(=O)NCC(=O)N([O-])Cc1ccccc1Cl ZINC001472618726 1065112957 /nfs/dbraw/zinc/11/29/57/1065112957.db2.gz FRBPHQNYQFZXQI-UHFFFAOYSA-N -1 3 362.813 2.887 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(Cl)cc2[O-])[C@@H](C#N)C1 ZINC001474424756 1065519107 /nfs/dbraw/zinc/51/91/07/1065519107.db2.gz PKQYVLJEKDUPIG-JSGCOSHPSA-N -1 3 351.834 2.894 20 30 FFEDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1)c1cccc(C#N)c1 ZINC001580310944 1078785562 /nfs/dbraw/zinc/78/55/62/1078785562.db2.gz XRTJJZPRMSBDCU-GFCCVEGCSA-N -1 3 362.393 2.722 20 30 FFEDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1)c1cccc(C#N)c1 ZINC001580310944 1078785565 /nfs/dbraw/zinc/78/55/65/1078785565.db2.gz XRTJJZPRMSBDCU-GFCCVEGCSA-N -1 3 362.393 2.722 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1ccc(F)cc1OCC#N ZINC001580612546 1078835221 /nfs/dbraw/zinc/83/52/21/1078835221.db2.gz UMKILJHHASTBEM-UHFFFAOYSA-N -1 3 366.356 2.777 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1ccc(F)cc1OCC#N ZINC001580612546 1078835225 /nfs/dbraw/zinc/83/52/25/1078835225.db2.gz UMKILJHHASTBEM-UHFFFAOYSA-N -1 3 366.356 2.777 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1cccc(OCC#N)c1 ZINC001580613455 1078836870 /nfs/dbraw/zinc/83/68/70/1078836870.db2.gz CLEGLRKEJPGEIT-UHFFFAOYSA-N -1 3 362.393 2.567 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1cccc(OCC#N)c1 ZINC001580613455 1078836878 /nfs/dbraw/zinc/83/68/78/1078836878.db2.gz CLEGLRKEJPGEIT-UHFFFAOYSA-N -1 3 362.393 2.567 20 30 FFEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2cnccc21 ZINC001581857111 1079008245 /nfs/dbraw/zinc/00/82/45/1079008245.db2.gz PWBCZQVVKFGSKL-MRXNPFEDSA-N -1 3 369.388 2.736 20 30 FFEDHM N#Cc1cc(Br)cnc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC001581863430 1079009640 /nfs/dbraw/zinc/00/96/40/1079009640.db2.gz OAJCWNVZZOIFPD-UHFFFAOYSA-N -1 3 374.177 2.647 20 30 FFEDHM N#Cc1cc(Br)cnc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC001581863430 1079009651 /nfs/dbraw/zinc/00/96/51/1079009651.db2.gz OAJCWNVZZOIFPD-UHFFFAOYSA-N -1 3 374.177 2.647 20 30 FFEDHM N#Cc1ccc(CC(=O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC001581869078 1079011282 /nfs/dbraw/zinc/01/12/82/1079011282.db2.gz HVLMZBNZFNGXHK-UHFFFAOYSA-N -1 3 353.769 2.582 20 30 FFEDHM N#Cc1ccc(CC(=O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC001581869078 1079011292 /nfs/dbraw/zinc/01/12/92/1079011292.db2.gz HVLMZBNZFNGXHK-UHFFFAOYSA-N -1 3 353.769 2.582 20 30 FFEDHM O=C(CCc1nc(-c2ncccn2)no1)N([O-])Cc1ccccc1Cl ZINC001559033264 1076118232 /nfs/dbraw/zinc/11/82/32/1076118232.db2.gz CJZRQJVKKMAMML-UHFFFAOYSA-N -1 3 359.773 2.531 20 30 FFEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-]CCOC(F)(F)F ZINC001561474020 1076381334 /nfs/dbraw/zinc/38/13/34/1076381334.db2.gz OPZKWTHALZAFRU-UHFFFAOYSA-N -1 3 350.343 2.588 20 30 FFEDHM Cc1cc(F)ccc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001561904591 1076441626 /nfs/dbraw/zinc/44/16/26/1076441626.db2.gz DVJOYPKSDFCBQV-LLVKDONJSA-N -1 3 363.370 2.954 20 30 FFEDHM Cc1ccc(-c2cnc(NC(=O)N[C@@H]3CCCN([O-])C3=O)s2)c(C)c1 ZINC001562761726 1076515245 /nfs/dbraw/zinc/51/52/45/1076515245.db2.gz MPAMMEOZJAANDJ-CYBMUJFWSA-N -1 3 360.439 2.929 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)nc2)cc1-c1nnn[n-]1 ZINC001573876331 1077831080 /nfs/dbraw/zinc/83/10/80/1077831080.db2.gz LGTUNRUABAUOCX-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)nc2)cc1-c1nn[n-]n1 ZINC001573876331 1077831083 /nfs/dbraw/zinc/83/10/83/1077831083.db2.gz LGTUNRUABAUOCX-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001588325741 1079984039 /nfs/dbraw/zinc/98/40/39/1079984039.db2.gz UNVASJYJIALOMM-LBPRGKRZSA-N -1 3 363.381 2.539 20 30 FFEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001588325741 1079984046 /nfs/dbraw/zinc/98/40/46/1079984046.db2.gz UNVASJYJIALOMM-LBPRGKRZSA-N -1 3 363.381 2.539 20 30 FFEDHM C#C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC001588329213 1079984951 /nfs/dbraw/zinc/98/49/51/1079984951.db2.gz AQNCLERGNHQREH-INIZCTEOSA-N -1 3 367.409 2.589 20 30 FFEDHM C#C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001588329213 1079984955 /nfs/dbraw/zinc/98/49/55/1079984955.db2.gz AQNCLERGNHQREH-INIZCTEOSA-N -1 3 367.409 2.589 20 30 FFEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)C1 ZINC001588332505 1079986712 /nfs/dbraw/zinc/98/67/12/1079986712.db2.gz LLWGBLLSFROFKD-ZDUSSCGKSA-N -1 3 368.441 2.921 20 30 FFEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)C1 ZINC001588332505 1079986715 /nfs/dbraw/zinc/98/67/15/1079986715.db2.gz LLWGBLLSFROFKD-ZDUSSCGKSA-N -1 3 368.441 2.921 20 30 FFEDHM C#CCC1(NC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001588335155 1079988506 /nfs/dbraw/zinc/98/85/06/1079988506.db2.gz ZTUDTYWWRFLFTE-KRWDZBQOSA-N -1 3 364.453 2.879 20 30 FFEDHM C#CCC1(NC(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001588335155 1079988511 /nfs/dbraw/zinc/98/85/11/1079988511.db2.gz ZTUDTYWWRFLFTE-KRWDZBQOSA-N -1 3 364.453 2.879 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588350973 1079992473 /nfs/dbraw/zinc/99/24/73/1079992473.db2.gz XQUYLKCJFVEBQR-UHFFFAOYSA-N -1 3 363.396 2.600 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588350973 1079992477 /nfs/dbraw/zinc/99/24/77/1079992477.db2.gz XQUYLKCJFVEBQR-UHFFFAOYSA-N -1 3 363.396 2.600 20 30 FFEDHM C#Cc1ccccc1CC(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001588375175 1079997686 /nfs/dbraw/zinc/99/76/86/1079997686.db2.gz IGHRHUGUMBFBFA-UHFFFAOYSA-N -1 3 357.417 2.976 20 30 FFEDHM C#Cc1ccccc1CC(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001588375175 1079997690 /nfs/dbraw/zinc/99/76/90/1079997690.db2.gz IGHRHUGUMBFBFA-UHFFFAOYSA-N -1 3 357.417 2.976 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588392663 1080005813 /nfs/dbraw/zinc/00/58/13/1080005813.db2.gz FLJHLQFDEKDBAW-OAHLLOKOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588392663 1080005820 /nfs/dbraw/zinc/00/58/20/1080005820.db2.gz FLJHLQFDEKDBAW-OAHLLOKOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)OCC ZINC001588402718 1080010444 /nfs/dbraw/zinc/01/04/44/1080010444.db2.gz KWLXSPLMZMQWHB-DLBZAZTESA-N -1 3 355.442 2.732 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)OCC ZINC001588402718 1080010453 /nfs/dbraw/zinc/01/04/53/1080010453.db2.gz KWLXSPLMZMQWHB-DLBZAZTESA-N -1 3 355.442 2.732 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588411591 1080016520 /nfs/dbraw/zinc/01/65/20/1080016520.db2.gz DYUVOOQPSGMCIP-ZBFHGGJFSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588411591 1080016523 /nfs/dbraw/zinc/01/65/23/1080016523.db2.gz DYUVOOQPSGMCIP-ZBFHGGJFSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001588411478 1080016619 /nfs/dbraw/zinc/01/66/19/1080016619.db2.gz DDDTXLDEFCSDQI-AWEZNQCLSA-N -1 3 373.436 2.550 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001588411478 1080016629 /nfs/dbraw/zinc/01/66/29/1080016629.db2.gz DDDTXLDEFCSDQI-AWEZNQCLSA-N -1 3 373.436 2.550 20 30 FFEDHM C=C1CCC(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CC1 ZINC001588462111 1080037294 /nfs/dbraw/zinc/03/72/94/1080037294.db2.gz FWOQUIWGHXOQSA-UHFFFAOYSA-N -1 3 363.425 2.619 20 30 FFEDHM C=C1CCC(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CC1 ZINC001588462111 1080037304 /nfs/dbraw/zinc/03/73/04/1080037304.db2.gz FWOQUIWGHXOQSA-UHFFFAOYSA-N -1 3 363.425 2.619 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001588484751 1080048251 /nfs/dbraw/zinc/04/82/51/1080048251.db2.gz LXSCGRQCFKZPCR-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001588484751 1080048265 /nfs/dbraw/zinc/04/82/65/1080048265.db2.gz LXSCGRQCFKZPCR-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC(C)(C)CC(=O)NC1CCC(Oc2ncccc2-c2nnn[n-]2)CC1 ZINC001588484606 1080048948 /nfs/dbraw/zinc/04/89/48/1080048948.db2.gz IXVHINHHQDKWNA-UHFFFAOYSA-N -1 3 370.457 2.670 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588484828 1080050959 /nfs/dbraw/zinc/05/09/59/1080050959.db2.gz OZQSMJMONLSIPL-LJQANCHMSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588484828 1080050965 /nfs/dbraw/zinc/05/09/65/1080050965.db2.gz OZQSMJMONLSIPL-LJQANCHMSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)CC(C)C ZINC001588492160 1080053546 /nfs/dbraw/zinc/05/35/46/1080053546.db2.gz PBTRRVMHEZBTSE-LIRRHRJNSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)CC(C)C ZINC001588492160 1080053555 /nfs/dbraw/zinc/05/35/55/1080053555.db2.gz PBTRRVMHEZBTSE-LIRRHRJNSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588492994 1080055672 /nfs/dbraw/zinc/05/56/72/1080055672.db2.gz YOZWCSQGSYPZFR-LIRRHRJNSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588492994 1080055682 /nfs/dbraw/zinc/05/56/82/1080055682.db2.gz YOZWCSQGSYPZFR-LIRRHRJNSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588492585 1080056530 /nfs/dbraw/zinc/05/65/30/1080056530.db2.gz UMLSRGFFWXNAOP-KUHUBIRLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588492585 1080056536 /nfs/dbraw/zinc/05/65/36/1080056536.db2.gz UMLSRGFFWXNAOP-KUHUBIRLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001588493285 1080057089 /nfs/dbraw/zinc/05/70/89/1080057089.db2.gz BZYPBUOCBVDMMZ-BEFAXECRSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001588493285 1080057098 /nfs/dbraw/zinc/05/70/98/1080057098.db2.gz BZYPBUOCBVDMMZ-BEFAXECRSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(O)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588498534 1080059717 /nfs/dbraw/zinc/05/97/17/1080059717.db2.gz BEHZNXMAQXWNED-RNODOKPDSA-N -1 3 363.421 2.648 20 30 FFEDHM C=C[C@@](C)(O)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588498534 1080059729 /nfs/dbraw/zinc/05/97/29/1080059729.db2.gz BEHZNXMAQXWNED-RNODOKPDSA-N -1 3 363.421 2.648 20 30 FFEDHM C#Cc1ccc(CN2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001588516648 1080068436 /nfs/dbraw/zinc/06/84/36/1080068436.db2.gz UUYGUHAQXKVYTO-WUZYXKQASA-N -1 3 369.461 2.922 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588521237 1080073467 /nfs/dbraw/zinc/07/34/67/1080073467.db2.gz KBGZPWHEZUTFGZ-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588521237 1080073478 /nfs/dbraw/zinc/07/34/78/1080073478.db2.gz KBGZPWHEZUTFGZ-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588521776 1080075380 /nfs/dbraw/zinc/07/53/80/1080075380.db2.gz SXSNWDVNCSLVHP-LSDHHAIUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588521776 1080075390 /nfs/dbraw/zinc/07/53/90/1080075390.db2.gz SXSNWDVNCSLVHP-LSDHHAIUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)NC1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588533488 1080083745 /nfs/dbraw/zinc/08/37/45/1080083745.db2.gz ZIMYOAOHVWUQIC-UHFFFAOYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)NC1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588533488 1080083754 /nfs/dbraw/zinc/08/37/54/1080083754.db2.gz ZIMYOAOHVWUQIC-UHFFFAOYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)NCC[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001588553194 1080093759 /nfs/dbraw/zinc/09/37/59/1080093759.db2.gz IVNLJBHGTRNEQJ-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NCC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001588553194 1080093767 /nfs/dbraw/zinc/09/37/67/1080093767.db2.gz IVNLJBHGTRNEQJ-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)NC[C@@]1(C)CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588570169 1080102642 /nfs/dbraw/zinc/10/26/42/1080102642.db2.gz KADMCWIWHQMTRF-LJQANCHMSA-N -1 3 372.448 2.695 20 30 FFEDHM C=CCCC(=O)NC[C@@]1(C)CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588570169 1080102646 /nfs/dbraw/zinc/10/26/46/1080102646.db2.gz KADMCWIWHQMTRF-LJQANCHMSA-N -1 3 372.448 2.695 20 30 FFEDHM C=CCC[C@@H](OC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)C1CC1 ZINC001588579473 1080107165 /nfs/dbraw/zinc/10/71/65/1080107165.db2.gz NCWBKIFSPWSVSL-QGZVFWFLSA-N -1 3 364.409 2.954 20 30 FFEDHM C=CCC[C@@H](OC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)C1CC1 ZINC001588579473 1080107169 /nfs/dbraw/zinc/10/71/69/1080107169.db2.gz NCWBKIFSPWSVSL-QGZVFWFLSA-N -1 3 364.409 2.954 20 30 FFEDHM C=CCN(Cc1cc(C(F)(F)F)n[nH]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588648431 1080137716 /nfs/dbraw/zinc/13/77/16/1080137716.db2.gz LAKKWSYSGYMRQZ-UHFFFAOYSA-N -1 3 363.347 2.797 20 30 FFEDHM C=CCN(Cc1noc(C(C)(C)C)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652235 1080142126 /nfs/dbraw/zinc/14/21/26/1080142126.db2.gz PSIYUBSNVPVFAL-UHFFFAOYSA-N -1 3 353.430 2.735 20 30 FFEDHM C=CCN(Cc1noc(C(C)(C)C)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652235 1080142129 /nfs/dbraw/zinc/14/21/29/1080142129.db2.gz PSIYUBSNVPVFAL-UHFFFAOYSA-N -1 3 353.430 2.735 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588653679 1080143510 /nfs/dbraw/zinc/14/35/10/1080143510.db2.gz UAUACVFZWVOUHW-UHFFFAOYSA-N -1 3 368.466 2.823 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588653679 1080143514 /nfs/dbraw/zinc/14/35/14/1080143514.db2.gz UAUACVFZWVOUHW-UHFFFAOYSA-N -1 3 368.466 2.823 20 30 FFEDHM C=CCNc1ncc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)s1 ZINC001588665594 1080146227 /nfs/dbraw/zinc/14/62/27/1080146227.db2.gz NEDLUEAZEMWIPX-UHFFFAOYSA-N -1 3 359.390 2.621 20 30 FFEDHM C=CCNc1ncc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)s1 ZINC001588665594 1080146233 /nfs/dbraw/zinc/14/62/33/1080146233.db2.gz NEDLUEAZEMWIPX-UHFFFAOYSA-N -1 3 359.390 2.621 20 30 FFEDHM C=CCSCCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588688612 1080154832 /nfs/dbraw/zinc/15/48/32/1080154832.db2.gz LVMYEOFBIWJPFF-UHFFFAOYSA-N -1 3 357.483 2.714 20 30 FFEDHM C=CCSCCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588688612 1080154835 /nfs/dbraw/zinc/15/48/35/1080154835.db2.gz LVMYEOFBIWJPFF-UHFFFAOYSA-N -1 3 357.483 2.714 20 30 FFEDHM C=CCOc1ccc(CNC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001588690352 1080157360 /nfs/dbraw/zinc/15/73/60/1080157360.db2.gz ZMQRVHSTILAXFA-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCOc1ccc(CNC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001588690352 1080157366 /nfs/dbraw/zinc/15/73/66/1080157366.db2.gz ZMQRVHSTILAXFA-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001588694062 1080159586 /nfs/dbraw/zinc/15/95/86/1080159586.db2.gz AGNBQUYXKUVAOO-UHFFFAOYSA-N -1 3 354.341 2.962 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001588694062 1080159591 /nfs/dbraw/zinc/15/95/91/1080159591.db2.gz AGNBQUYXKUVAOO-UHFFFAOYSA-N -1 3 354.341 2.962 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(C)(C)C1 ZINC001588699853 1080161093 /nfs/dbraw/zinc/16/10/93/1080161093.db2.gz OSKJIUXDCKKAHD-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(C)(C)C1 ZINC001588699853 1080161096 /nfs/dbraw/zinc/16/10/96/1080161096.db2.gz OSKJIUXDCKKAHD-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnn(C2CCCC2)c1 ZINC001588777462 1080192113 /nfs/dbraw/zinc/19/21/13/1080192113.db2.gz YSVUIDNBJYMUFR-UHFFFAOYSA-N -1 3 350.430 2.692 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnn(C2CCCC2)c1 ZINC001588777462 1080192119 /nfs/dbraw/zinc/19/21/19/1080192119.db2.gz YSVUIDNBJYMUFR-UHFFFAOYSA-N -1 3 350.430 2.692 20 30 FFEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1ccc(N)nc1 ZINC001588780713 1080193250 /nfs/dbraw/zinc/19/32/50/1080193250.db2.gz KLBVGARAXLJSAU-UHFFFAOYSA-N -1 3 362.319 2.699 20 30 FFEDHM CC(=O)c1ccc(C#N)c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001588911977 1080260192 /nfs/dbraw/zinc/26/01/92/1080260192.db2.gz LGSJENADJXGDDO-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(C#N)c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001588911977 1080260193 /nfs/dbraw/zinc/26/01/93/1080260193.db2.gz LGSJENADJXGDDO-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(C#N)cc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588912307 1080260486 /nfs/dbraw/zinc/26/04/86/1080260486.db2.gz TZROWIDVXMKORT-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(C#N)cc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588912307 1080260494 /nfs/dbraw/zinc/26/04/94/1080260494.db2.gz TZROWIDVXMKORT-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM CC(C)(C(=O)NCc1ccc(-c2nnn[n-]2)s1)c1cc(F)cc(C#N)c1 ZINC001589052727 1080327408 /nfs/dbraw/zinc/32/74/08/1080327408.db2.gz NFHDOSONKKHBNK-UHFFFAOYSA-N -1 3 370.413 2.533 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)Cc2ccc(C#N)nc2)c1-c1nnn[n-]1 ZINC001589236846 1080439164 /nfs/dbraw/zinc/43/91/64/1080439164.db2.gz ATENWMNDHNBVLU-UHFFFAOYSA-N -1 3 367.438 2.674 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)Cc2ccc(C#N)nc2)c1-c1nn[n-]n1 ZINC001589236846 1080439167 /nfs/dbraw/zinc/43/91/67/1080439167.db2.gz ATENWMNDHNBVLU-UHFFFAOYSA-N -1 3 367.438 2.674 20 30 FFEDHM CC(C)c1cnc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001589773567 1080729034 /nfs/dbraw/zinc/72/90/34/1080729034.db2.gz LMQYDFSGPSQJOK-ZDUSSCGKSA-N -1 3 367.438 2.768 20 30 FFEDHM C[C@@H](CCCCNc1cccc(F)c1-c1nnn[n-]1)NC(=O)C#CC1CC1 ZINC001589807707 1080764780 /nfs/dbraw/zinc/76/47/80/1080764780.db2.gz GJUDRPPQHXJIQV-ZDUSSCGKSA-N -1 3 370.432 2.506 20 30 FFEDHM C[C@@H](CCCCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C#CC1CC1 ZINC001589807707 1080764785 /nfs/dbraw/zinc/76/47/85/1080764785.db2.gz GJUDRPPQHXJIQV-ZDUSSCGKSA-N -1 3 370.432 2.506 20 30 FFEDHM C[C@H](NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(C#N)c1 ZINC001589916666 1080857760 /nfs/dbraw/zinc/85/77/60/1080857760.db2.gz AQUQPBHUGLTILF-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(C#N)c1 ZINC001589916666 1080857764 /nfs/dbraw/zinc/85/77/64/1080857764.db2.gz AQUQPBHUGLTILF-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589937364 1080881793 /nfs/dbraw/zinc/88/17/93/1080881793.db2.gz CMTICBKJHFWTKG-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589937364 1080881797 /nfs/dbraw/zinc/88/17/97/1080881797.db2.gz CMTICBKJHFWTKG-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12)c1cccc(C#N)c1 ZINC001589941649 1080885755 /nfs/dbraw/zinc/88/57/55/1080885755.db2.gz SSMJUXNKJVHMJD-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12)c1cccc(C#N)c1 ZINC001589941649 1080885759 /nfs/dbraw/zinc/88/57/59/1080885759.db2.gz SSMJUXNKJVHMJD-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](OC(=O)c1ccc(C#N)c(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590011023 1080939224 /nfs/dbraw/zinc/93/92/24/1080939224.db2.gz XUKNUJIYAYXKGN-VIFPVBQESA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@H](OC(=O)c1ccc(C#N)c(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590011023 1080939231 /nfs/dbraw/zinc/93/92/31/1080939231.db2.gz XUKNUJIYAYXKGN-VIFPVBQESA-N -1 3 354.757 2.705 20 30 FFEDHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(CC#N)cc2)[C@@H](C(=O)[O-])C1 ZINC001590035245 1080960128 /nfs/dbraw/zinc/96/01/28/1080960128.db2.gz SLNQRNJCBKKQRG-QGZVFWFLSA-N -1 3 373.453 2.649 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)c1nc2ncccc2cc1-c1nnn[n-]1 ZINC001590048890 1080978563 /nfs/dbraw/zinc/97/85/63/1080978563.db2.gz LHVBWZVORCJLTK-GFCCVEGCSA-N -1 3 356.393 2.879 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)c1nc2ncccc2cc1-c1nn[n-]n1 ZINC001590048890 1080978566 /nfs/dbraw/zinc/97/85/66/1080978566.db2.gz LHVBWZVORCJLTK-GFCCVEGCSA-N -1 3 356.393 2.879 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001590050743 1080979201 /nfs/dbraw/zinc/97/92/01/1080979201.db2.gz TWFRLQXYTVUOGS-NSHDSACASA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001590050743 1080979205 /nfs/dbraw/zinc/97/92/05/1080979205.db2.gz TWFRLQXYTVUOGS-NSHDSACASA-N -1 3 350.357 2.711 20 30 FFEDHM C=CCN1CCC(NC(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000448924338 513972116 /nfs/dbraw/zinc/97/21/16/513972116.db2.gz YKHCJAJKJOBARL-UHFFFAOYSA-N -1 3 357.223 2.674 20 30 FFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000543367114 541580448 /nfs/dbraw/zinc/58/04/48/541580448.db2.gz SKQFPPHKJKMBCQ-UHFFFAOYSA-N -1 3 369.473 2.500 20 30 FFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000452040045 514154159 /nfs/dbraw/zinc/15/41/59/514154159.db2.gz ILONDUGWOFOSOJ-UHFFFAOYSA-N -1 3 373.272 2.578 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000274752578 255914605 /nfs/dbraw/zinc/91/46/05/255914605.db2.gz LRRAHVPBGFGTKE-ZDUSSCGKSA-N -1 3 354.815 2.861 20 30 FFEDHM COC(=O)CCCON=C([O-])Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000289663953 257292525 /nfs/dbraw/zinc/29/25/25/257292525.db2.gz FSVXNWJMAVCMMP-UHFFFAOYSA-N -1 3 374.422 2.612 20 30 FFEDHM COC(=O)CCCO[N-]C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000289663953 257292526 /nfs/dbraw/zinc/29/25/26/257292526.db2.gz FSVXNWJMAVCMMP-UHFFFAOYSA-N -1 3 374.422 2.612 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)OCCc2sccc21 ZINC000290062726 257313547 /nfs/dbraw/zinc/31/35/47/257313547.db2.gz FFOBGJUEWGYINJ-QGZVFWFLSA-N -1 3 362.476 2.527 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000298360533 257905812 /nfs/dbraw/zinc/90/58/12/257905812.db2.gz KTZIQNYCBXMUMM-KRWDZBQOSA-N -1 3 372.494 2.689 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)Cc3cccc(C#N)c3)CCCCC2)no1 ZINC000298378128 257907640 /nfs/dbraw/zinc/90/76/40/257907640.db2.gz BALIZWGEHPPCSV-UHFFFAOYSA-N -1 3 360.439 2.529 20 30 FFEDHM C[C@@H](C(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1)n1cnc(C#N)n1 ZINC000409754196 512140002 /nfs/dbraw/zinc/14/00/02/512140002.db2.gz NEUIITDMEBXZER-VIFPVBQESA-N -1 3 374.307 2.606 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065818194 506372838 /nfs/dbraw/zinc/37/28/38/506372838.db2.gz NEJPSWJWAHNUSZ-UHFFFAOYSA-N -1 3 353.353 2.929 20 30 FFEDHM COc1cccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1[O-] ZINC000369008055 512180860 /nfs/dbraw/zinc/18/08/60/512180860.db2.gz BVFIFIHAPRPLQO-UHFFFAOYSA-N -1 3 352.390 2.956 20 30 FFEDHM C=CC[C@H](CO)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000410064587 512196666 /nfs/dbraw/zinc/19/66/66/512196666.db2.gz GNDLTTJRNXWQMC-CQSZACIVSA-N -1 3 364.401 2.987 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1ccccc1F ZINC000054166664 506504100 /nfs/dbraw/zinc/50/41/00/506504100.db2.gz IIMQPJOKCFXWEL-GFCCVEGCSA-N -1 3 355.413 2.683 20 30 FFEDHM N#CC(=C([O-])c1ccc(NC(=O)C2CC2)cc1)c1nnc2n1CCCCC2 ZINC000041510197 506525448 /nfs/dbraw/zinc/52/54/48/506525448.db2.gz FCMFTSLZXLKNJJ-INIZCTEOSA-N -1 3 363.421 2.843 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cs1 ZINC000056090221 506932094 /nfs/dbraw/zinc/93/20/94/506932094.db2.gz LQCVHOQMSBRAJN-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1C#N ZINC000067593464 506941063 /nfs/dbraw/zinc/94/10/63/506941063.db2.gz RNCOINGVUBCJLI-MRXNPFEDSA-N -1 3 370.478 2.722 20 30 FFEDHM CCC[N-]C(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1cc([O-])ccc1C ZINC000069047752 507391777 /nfs/dbraw/zinc/39/17/77/507391777.db2.gz ZVCNJKJYEDCHJH-UHFFFAOYSA-O -1 3 371.482 2.957 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2ccc(NCCOc3ccc(C#N)cc3)nc2)n1 ZINC000078403708 507868735 /nfs/dbraw/zinc/86/87/35/507868735.db2.gz ONSAXVNFVMSJEM-UHFFFAOYSA-N -1 3 361.405 2.757 20 30 FFEDHM CCO[C@H](CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1 ZINC000080017539 508027700 /nfs/dbraw/zinc/02/77/00/508027700.db2.gz HRZNQJMJDUMYKQ-LJQANCHMSA-N -1 3 373.497 2.898 20 30 FFEDHM CCCN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000081513040 508184043 /nfs/dbraw/zinc/18/40/43/508184043.db2.gz FXYMQJGKAKDQEN-UHFFFAOYSA-N -1 3 358.463 2.950 20 30 FFEDHM CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000076355600 508191656 /nfs/dbraw/zinc/19/16/56/508191656.db2.gz NJNVCDSZVHPVIJ-UHFFFAOYSA-N -1 3 362.356 2.585 20 30 FFEDHM CCN(CC)C(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000076355600 508191657 /nfs/dbraw/zinc/19/16/57/508191657.db2.gz NJNVCDSZVHPVIJ-UHFFFAOYSA-N -1 3 362.356 2.585 20 30 FFEDHM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081730943 508207063 /nfs/dbraw/zinc/20/70/63/508207063.db2.gz KXDDNMSGSHKHMV-QMMMGPOBSA-N -1 3 361.308 2.749 20 30 FFEDHM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081730943 508207064 /nfs/dbraw/zinc/20/70/64/508207064.db2.gz KXDDNMSGSHKHMV-QMMMGPOBSA-N -1 3 361.308 2.749 20 30 FFEDHM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081730943 508207067 /nfs/dbraw/zinc/20/70/67/508207067.db2.gz KXDDNMSGSHKHMV-QMMMGPOBSA-N -1 3 361.308 2.749 20 30 FFEDHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000097493864 508225312 /nfs/dbraw/zinc/22/53/12/508225312.db2.gz HFIPHIYAKSBNCT-UHFFFAOYSA-N -1 3 356.773 2.538 20 30 FFEDHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000097493864 508225314 /nfs/dbraw/zinc/22/53/14/508225314.db2.gz HFIPHIYAKSBNCT-UHFFFAOYSA-N -1 3 356.773 2.538 20 30 FFEDHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000097493864 508225315 /nfs/dbraw/zinc/22/53/15/508225315.db2.gz HFIPHIYAKSBNCT-UHFFFAOYSA-N -1 3 356.773 2.538 20 30 FFEDHM C=CC[C@H](C)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000077724884 508360252 /nfs/dbraw/zinc/36/02/52/508360252.db2.gz JQAWNYDACZEZMC-NSHDSACASA-N -1 3 357.451 2.989 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000088547124 508375727 /nfs/dbraw/zinc/37/57/27/508375727.db2.gz XECVSYYOASUKDF-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM N#Cc1cnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000121753508 508411132 /nfs/dbraw/zinc/41/11/32/508411132.db2.gz OJJYYVKIXLSHFZ-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000127566844 508469582 /nfs/dbraw/zinc/46/95/82/508469582.db2.gz HSUMORDRKSTSBD-OAHLLOKOSA-N -1 3 352.431 2.858 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCOc1ccc(F)cc1 ZINC000156899092 508493879 /nfs/dbraw/zinc/49/38/79/508493879.db2.gz UNHFIGHDJQXYNS-UHFFFAOYSA-N -1 3 352.362 2.584 20 30 FFEDHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157721519 508602609 /nfs/dbraw/zinc/60/26/09/508602609.db2.gz ZGMGHZLXLFGAMN-LRDDRELGSA-N -1 3 354.447 2.817 20 30 FFEDHM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153619130 508609563 /nfs/dbraw/zinc/60/95/63/508609563.db2.gz KUYXWRUBGCCUIQ-UHFFFAOYSA-N -1 3 366.826 2.762 20 30 FFEDHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000157826309 508618452 /nfs/dbraw/zinc/61/84/52/508618452.db2.gz UQHBGVKYDUYUBO-ZDUSSCGKSA-N -1 3 359.407 2.857 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000118275377 508643569 /nfs/dbraw/zinc/64/35/69/508643569.db2.gz PATAXLZPYYRJKO-BEFAXECRSA-N -1 3 373.497 2.754 20 30 FFEDHM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000154211679 508737791 /nfs/dbraw/zinc/73/77/91/508737791.db2.gz PJDPIWZMJCFDPL-UHFFFAOYSA-N -1 3 363.266 2.692 20 30 FFEDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CCCC#N ZINC000123906373 508756674 /nfs/dbraw/zinc/75/66/74/508756674.db2.gz FBYCNPVRZWOFMF-UHFFFAOYSA-N -1 3 361.261 2.610 20 30 FFEDHM CCC1(CC)[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@@H]1OC ZINC000124251561 508803832 /nfs/dbraw/zinc/80/38/32/508803832.db2.gz IWDOFQZRKYHQJR-MSOLQXFVSA-N -1 3 373.497 2.848 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000130470926 508821368 /nfs/dbraw/zinc/82/13/68/508821368.db2.gz FTZKRYJCFTXHSY-XJKSGUPXSA-N -1 3 351.428 2.529 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000159540073 508855548 /nfs/dbraw/zinc/85/55/48/508855548.db2.gz BAHNBZCEWHAGLO-IBGZPJMESA-N -1 3 369.446 2.631 20 30 FFEDHM C=CCc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc(OC)c1OC ZINC000119832930 508872899 /nfs/dbraw/zinc/87/28/99/508872899.db2.gz GLEUROHAWJZUOJ-UHFFFAOYSA-N -1 3 367.409 2.808 20 30 FFEDHM C=CCc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc(OC)c1OC ZINC000119832930 508872901 /nfs/dbraw/zinc/87/29/01/508872901.db2.gz GLEUROHAWJZUOJ-UHFFFAOYSA-N -1 3 367.409 2.808 20 30 FFEDHM Cc1c([N-]C(=O)c2c(F)cc(C#N)cc2F)c(=O)n(-c2ccccc2)n1C ZINC000132537342 509041825 /nfs/dbraw/zinc/04/18/25/509041825.db2.gz DHZQSKKFFFQUGT-UHFFFAOYSA-N -1 3 368.343 2.887 20 30 FFEDHM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000161195212 509084270 /nfs/dbraw/zinc/08/42/70/509084270.db2.gz UDHXZVNMAHVCAL-UHFFFAOYSA-N -1 3 363.266 2.740 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000121148972 509139302 /nfs/dbraw/zinc/13/93/02/509139302.db2.gz CTSCOCHCFJFFIB-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000121148972 509139308 /nfs/dbraw/zinc/13/93/08/509139308.db2.gz CTSCOCHCFJFFIB-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM COCCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1 ZINC000133327037 509147397 /nfs/dbraw/zinc/14/73/97/509147397.db2.gz HWYVWLHGNRVTPW-UHFFFAOYSA-N -1 3 359.470 2.509 20 30 FFEDHM CCCC[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000162049251 509170555 /nfs/dbraw/zinc/17/05/55/509170555.db2.gz VPJJGBSMTUXGSJ-INIZCTEOSA-N -1 3 366.483 2.878 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c1 ZINC000185672756 509297903 /nfs/dbraw/zinc/29/79/03/509297903.db2.gz GCPQNCFLHXZIMW-UHFFFAOYSA-N -1 3 356.875 2.823 20 30 FFEDHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000188954672 509339761 /nfs/dbraw/zinc/33/97/61/509339761.db2.gz UGUHUKZSUQAMAI-UHFFFAOYSA-N -1 3 364.409 2.945 20 30 FFEDHM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccccc1OC(F)(F)F ZINC000192131800 509362644 /nfs/dbraw/zinc/36/26/44/509362644.db2.gz CQDKCQMJJXCLPK-UHFFFAOYSA-N -1 3 355.231 2.764 20 30 FFEDHM Cc1cccc2c1[n-]cc(C(=O)Nc1cnn(-c3ncccc3C#N)c1)c2=O ZINC000186054392 509500576 /nfs/dbraw/zinc/50/05/76/509500576.db2.gz JEZLXNIBXUWAHC-UHFFFAOYSA-N -1 3 370.372 2.954 20 30 FFEDHM Cc1cccc2c([O-])c(C(=O)Nc3cnn(-c4ncccc4C#N)c3)cnc12 ZINC000186054392 509500582 /nfs/dbraw/zinc/50/05/82/509500582.db2.gz JEZLXNIBXUWAHC-UHFFFAOYSA-N -1 3 370.372 2.954 20 30 FFEDHM C=C(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccc(F)c(F)c1 ZINC000186134979 509538652 /nfs/dbraw/zinc/53/86/52/509538652.db2.gz DJLRNJMGDKJKOR-OAHLLOKOSA-N -1 3 371.361 2.940 20 30 FFEDHM C=C(C)CN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000183049906 509566469 /nfs/dbraw/zinc/56/64/69/509566469.db2.gz YZKNFQSAPHHGPW-UHFFFAOYSA-N -1 3 365.282 2.696 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000170735433 509745488 /nfs/dbraw/zinc/74/54/88/509745488.db2.gz YGUBPJBFDQPLAL-INIZCTEOSA-N -1 3 350.827 2.878 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](Sc2n[n-]c(-c3ccccn3)n2)C1=O ZINC000176942047 509778095 /nfs/dbraw/zinc/77/80/95/509778095.db2.gz YRNDVXORGQBPNV-LBPRGKRZSA-N -1 3 368.447 2.697 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(F)c(F)c1 ZINC000180188232 509801140 /nfs/dbraw/zinc/80/11/40/509801140.db2.gz WQYQHMDFIXBVHR-INIZCTEOSA-N -1 3 370.352 2.642 20 30 FFEDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180196302 509805663 /nfs/dbraw/zinc/80/56/63/509805663.db2.gz CMSCRCLXLIPNLG-VIFPVBQESA-N -1 3 353.831 2.899 20 30 FFEDHM O=C(c1ccccc1[O-])N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177213086 509939738 /nfs/dbraw/zinc/93/97/38/509939738.db2.gz OCKGZVSUMDWCRZ-UHFFFAOYSA-N -1 3 354.837 2.855 20 30 FFEDHM CC[C@H](C)[N-]C(=S)C(C(=O)c1c(C)noc1C)[n+]1cc([O-])ccc1F ZINC000186965035 509976694 /nfs/dbraw/zinc/97/66/94/509976694.db2.gz SOYDYKRKXIGUAV-VIFPVBQESA-O -1 3 366.438 2.751 20 30 FFEDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1nc2c(cc1C#N)CCCC2 ZINC000187130776 510077777 /nfs/dbraw/zinc/07/77/77/510077777.db2.gz XMZIPATWFSQWJG-UHFFFAOYSA-N -1 3 362.393 2.781 20 30 FFEDHM CC(=O)N(Cc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1)C1CC1 ZINC000265610928 510137817 /nfs/dbraw/zinc/13/78/17/510137817.db2.gz OPLDLHCUULOMOI-LSHDLFTRSA-N -1 3 353.422 2.849 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)c1 ZINC000184499084 510358585 /nfs/dbraw/zinc/35/85/85/510358585.db2.gz PUGXRIBJKFXXQV-UHFFFAOYSA-N -1 3 372.780 2.847 20 30 FFEDHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000191008247 510462898 /nfs/dbraw/zinc/46/28/98/510462898.db2.gz VWFAFAYCTMOZOJ-DYVFJYSZSA-N -1 3 370.446 2.602 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cs1 ZINC000269793869 510547942 /nfs/dbraw/zinc/54/79/42/510547942.db2.gz KETQDRCDIOXKDW-VIFPVBQESA-N -1 3 371.871 2.854 20 30 FFEDHM C=CCCN(C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000276155811 510928965 /nfs/dbraw/zinc/92/89/65/510928965.db2.gz GXBVVAFZYZZYTP-UHFFFAOYSA-N -1 3 358.442 2.679 20 30 FFEDHM C#CCC1(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CCCCC1 ZINC000276447098 510939033 /nfs/dbraw/zinc/93/90/33/510939033.db2.gz IQAYJBJFTZZTSC-UHFFFAOYSA-N -1 3 354.450 2.650 20 30 FFEDHM COc1cc(/C=C/C(=O)N[C@@H](C#N)C(C)C)cc(Br)c1[O-] ZINC000286427650 511024973 /nfs/dbraw/zinc/02/49/73/511024973.db2.gz ROHBILJHAZPVGT-ITKZLYELSA-N -1 3 353.216 2.841 20 30 FFEDHM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000330879958 511026244 /nfs/dbraw/zinc/02/62/44/511026244.db2.gz YHLULAOZDDVQOA-OAHLLOKOSA-N -1 3 355.460 2.732 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000330915407 511028686 /nfs/dbraw/zinc/02/86/86/511028686.db2.gz UEFBZFCSNFVNPB-JTQLQIEISA-N -1 3 351.653 2.929 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000270972851 511043418 /nfs/dbraw/zinc/04/34/18/511043418.db2.gz UCWBHLSLDHYBCN-WBVHZDCISA-N -1 3 355.438 2.569 20 30 FFEDHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000331347319 511062697 /nfs/dbraw/zinc/06/26/97/511062697.db2.gz SDVCFEIMTYKITQ-KWQFWETISA-N -1 3 363.317 2.584 20 30 FFEDHM C=C(CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000291408374 511185930 /nfs/dbraw/zinc/18/59/30/511185930.db2.gz YRKNCBZAKRXSPB-CQSZACIVSA-N -1 3 369.387 2.800 20 30 FFEDHM CC[C@@](C)([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1nccs1 ZINC000295437153 511405659 /nfs/dbraw/zinc/40/56/59/511405659.db2.gz DJWBIOXNHHJXMU-OAHLLOKOSA-N -1 3 353.444 2.899 20 30 FFEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000272796951 511507917 /nfs/dbraw/zinc/50/79/17/511507917.db2.gz XYGPJXVNPXSETH-DNVCBOLYSA-N -1 3 374.441 2.651 20 30 FFEDHM COc1ccccc1N1CCC(/N=C/c2c([O-])c(C)ncc2CO)CC1 ZINC000299449214 511639328 /nfs/dbraw/zinc/63/93/28/511639328.db2.gz PWSFCEMWYCENBE-WSDLNYQXSA-N -1 3 355.438 2.684 20 30 FFEDHM COc1cc(Cl)cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1[O-] ZINC000292715591 511695340 /nfs/dbraw/zinc/69/53/40/511695340.db2.gz DRTDKAKUVDPXEM-HNNXBMFYSA-N -1 3 359.813 2.974 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H]1OCCc2sccc21 ZINC000366344713 511968436 /nfs/dbraw/zinc/96/84/36/511968436.db2.gz XJQRBTNZMGMYLN-XPTSAGLGSA-N -1 3 354.478 2.662 20 30 FFEDHM CN1CC[C@H](N2CCC(NC(=O)c3cc([O-])c4ccccc4c3)CC2)C1=O ZINC000329200421 512004192 /nfs/dbraw/zinc/00/41/92/512004192.db2.gz WHKQVALTIXTJQI-SFHVURJKSA-N -1 3 367.449 2.545 20 30 FFEDHM C#CCCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000367769512 512654416 /nfs/dbraw/zinc/65/44/16/512654416.db2.gz BNPWHOQUDZUJOW-LBPRGKRZSA-N -1 3 351.403 2.578 20 30 FFEDHM C[C@@H](NC(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(C)(F)F ZINC000411578134 512700010 /nfs/dbraw/zinc/70/00/10/512700010.db2.gz RQGZAZXSOIVUET-LHLIQPBNSA-N -1 3 374.256 2.844 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)COCc1ccccc1 ZINC000390424067 512907334 /nfs/dbraw/zinc/90/73/34/512907334.db2.gz LLGONTWBLOXKSI-CYBMUJFWSA-N -1 3 350.465 2.751 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000398083830 512953771 /nfs/dbraw/zinc/95/37/71/512953771.db2.gz LCZNCHBLRGNBRN-UKRRQHHQSA-N -1 3 361.492 2.561 20 30 FFEDHM COCC1(C#N)CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC000412335399 513043686 /nfs/dbraw/zinc/04/36/86/513043686.db2.gz HKRYDTKXFOLAFR-UHFFFAOYSA-N -1 3 359.813 2.574 20 30 FFEDHM N#Cc1cccc(-n2ccc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)n2)c1 ZINC000409462676 513109328 /nfs/dbraw/zinc/10/93/28/513109328.db2.gz ANPBGLCREBZMNB-UHFFFAOYSA-N -1 3 354.373 2.808 20 30 FFEDHM COCCOc1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429568965 513411937 /nfs/dbraw/zinc/41/19/37/513411937.db2.gz PQYYETKMSNJMGZ-HNNXBMFYSA-N -1 3 350.378 2.782 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)nn1 ZINC000415760100 513413155 /nfs/dbraw/zinc/41/31/55/513413155.db2.gz JRWYCNGNNNHJPK-WDEREUQCSA-N -1 3 359.455 2.796 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C[S@@](C)=O)c3)nc1-2 ZINC000429585456 513417371 /nfs/dbraw/zinc/41/73/71/513417371.db2.gz JKRYBDDERABWMM-HWRSSNJWSA-N -1 3 352.419 2.635 20 30 FFEDHM N#CCc1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)c(Cl)c1 ZINC000451071945 513497470 /nfs/dbraw/zinc/49/74/70/513497470.db2.gz UNTDPMUFQFCDOW-UHFFFAOYSA-N -1 3 356.753 2.727 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000435431606 513582720 /nfs/dbraw/zinc/58/27/20/513582720.db2.gz DYXHFQIUZDZPLS-AWEZNQCLSA-N -1 3 366.266 2.877 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000435433294 513585042 /nfs/dbraw/zinc/58/50/42/513585042.db2.gz NIYGJIZOBDUWDB-CYBMUJFWSA-N -1 3 363.266 2.594 20 30 FFEDHM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1 ZINC000435433613 513585450 /nfs/dbraw/zinc/58/54/50/513585450.db2.gz OMEIRPVUVOWSSK-CXAGYDPISA-N -1 3 364.492 2.528 20 30 FFEDHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435441431 513590080 /nfs/dbraw/zinc/59/00/80/513590080.db2.gz BYYZBQZEHPXOCB-OAHLLOKOSA-N -1 3 364.492 2.700 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000425736663 513722611 /nfs/dbraw/zinc/72/26/11/513722611.db2.gz HDXJWKNXFHUDRX-VIFPVBQESA-N -1 3 352.320 2.598 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000425736663 513722618 /nfs/dbraw/zinc/72/26/18/513722618.db2.gz HDXJWKNXFHUDRX-VIFPVBQESA-N -1 3 352.320 2.598 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000425736663 513722624 /nfs/dbraw/zinc/72/26/24/513722624.db2.gz HDXJWKNXFHUDRX-VIFPVBQESA-N -1 3 352.320 2.598 20 30 FFEDHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416384595 513744499 /nfs/dbraw/zinc/74/44/99/513744499.db2.gz IWMGLYXERUUSOV-ZWNOBZJWSA-N -1 3 373.272 2.557 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCCCC1 ZINC000416499880 513803215 /nfs/dbraw/zinc/80/32/15/513803215.db2.gz ZWRZKYPQVHVXEP-UHFFFAOYSA-N -1 3 354.403 2.818 20 30 FFEDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCCCC1 ZINC000443096243 513870885 /nfs/dbraw/zinc/87/08/85/513870885.db2.gz UWXFJJADCUGZGB-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM COC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[n-]1 ZINC000431329642 513876138 /nfs/dbraw/zinc/87/61/38/513876138.db2.gz SHLNCYOJOSFWNR-UHFFFAOYSA-N -1 3 366.402 2.973 20 30 FFEDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451646958 513886789 /nfs/dbraw/zinc/88/67/89/513886789.db2.gz LFCVLMMTRBKARI-JTQLQIEISA-N -1 3 370.780 2.847 20 30 FFEDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451658003 513893347 /nfs/dbraw/zinc/89/33/47/513893347.db2.gz WVSIZUPHKABDQD-LLVKDONJSA-N -1 3 370.780 2.847 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000443279475 513919510 /nfs/dbraw/zinc/91/95/10/513919510.db2.gz UDDDISUGJXCWBG-UHFFFAOYSA-N -1 3 350.827 2.828 20 30 FFEDHM N#Cc1ncn(-c2ccccc2NC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000436789234 513981945 /nfs/dbraw/zinc/98/19/45/513981945.db2.gz DHBKZESROFJNES-UHFFFAOYSA-N -1 3 359.389 2.976 20 30 FFEDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1 ZINC000414382434 514080987 /nfs/dbraw/zinc/08/09/87/514080987.db2.gz KYDNSEBUTDQZDI-UHFFFAOYSA-N -1 3 352.334 2.624 20 30 FFEDHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000451992308 514116093 /nfs/dbraw/zinc/11/60/93/514116093.db2.gz OBCBUAJNPNRSIX-XPTSAGLGSA-N -1 3 362.373 2.669 20 30 FFEDHM Cn1[n-]c(=NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1OC(F)F ZINC000417032149 514132083 /nfs/dbraw/zinc/13/20/83/514132083.db2.gz XUYYUOAKRQULHO-CYBMUJFWSA-N -1 3 361.352 2.514 20 30 FFEDHM COc1cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)ccc1[O-] ZINC000444524044 514246641 /nfs/dbraw/zinc/24/66/41/514246641.db2.gz MXFSEDGQOOKARB-UHFFFAOYSA-N -1 3 371.824 2.888 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420705654 514252542 /nfs/dbraw/zinc/25/25/42/514252542.db2.gz WOZKVXSOMNLHBZ-UHFFFAOYSA-N -1 3 355.790 2.812 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420712006 514254711 /nfs/dbraw/zinc/25/47/11/514254711.db2.gz QMBJAGTYRRPYIS-YGRLFVJLSA-N -1 3 365.373 2.687 20 30 FFEDHM COc1cc(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])ccc1C#N ZINC000417569039 514412377 /nfs/dbraw/zinc/41/23/77/514412377.db2.gz CAZBMFKFHCWCPE-SFHVURJKSA-N -1 3 365.433 2.562 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccccc1OC1CCCC1 ZINC000428254195 514433320 /nfs/dbraw/zinc/43/33/20/514433320.db2.gz BNADPUDBFZEYQX-UHFFFAOYSA-N -1 3 357.435 2.753 20 30 FFEDHM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cccnc1C#N ZINC000428375925 514459562 /nfs/dbraw/zinc/45/95/62/514459562.db2.gz RFMKLUAAQLBBIX-UHFFFAOYSA-N -1 3 365.842 2.526 20 30 FFEDHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000475530205 514704650 /nfs/dbraw/zinc/70/46/50/514704650.db2.gz NCWSXKYRXCSUPH-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)[n-]c21 ZINC000471039531 514729103 /nfs/dbraw/zinc/72/91/03/514729103.db2.gz VIQQXOHUUCEXQK-CQSZACIVSA-N -1 3 373.372 2.542 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)nc21 ZINC000471039531 514729112 /nfs/dbraw/zinc/72/91/12/514729112.db2.gz VIQQXOHUUCEXQK-CQSZACIVSA-N -1 3 373.372 2.542 20 30 FFEDHM Cc1nc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c(Cl)cc1C#N ZINC000461783968 514737882 /nfs/dbraw/zinc/73/78/82/514737882.db2.gz HFUIUGMDQGNDPU-SFHVURJKSA-N -1 3 369.812 2.582 20 30 FFEDHM C=C(C)CCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)n1 ZINC000508629312 514848367 /nfs/dbraw/zinc/84/83/67/514848367.db2.gz AZSKPPKGLDBFBE-UHFFFAOYSA-N -1 3 370.434 2.863 20 30 FFEDHM Cc1cc(C#N)cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000456010688 514901671 /nfs/dbraw/zinc/90/16/71/514901671.db2.gz UOUZACURCBODFS-UHFFFAOYSA-N -1 3 364.405 2.562 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)c2ccccc2Cl)CCCCC1 ZINC000476197713 514944133 /nfs/dbraw/zinc/94/41/33/514944133.db2.gz KTKHIQXNVYPGQE-UHFFFAOYSA-N -1 3 354.859 2.916 20 30 FFEDHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCCCC#N)n2)cc1F ZINC000471892118 515045108 /nfs/dbraw/zinc/04/51/08/515045108.db2.gz FYFXUIBVWRWXTA-GFCCVEGCSA-N -1 3 366.418 2.858 20 30 FFEDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCCCC1 ZINC000480840583 515103784 /nfs/dbraw/zinc/10/37/84/515103784.db2.gz FYDOOZPLGKMFJV-MRXNPFEDSA-N -1 3 356.875 2.821 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cs1 ZINC000503727198 515130534 /nfs/dbraw/zinc/13/05/34/515130534.db2.gz NICZBEVZHLUCOC-VIFPVBQESA-N -1 3 371.871 2.854 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000503797680 515142883 /nfs/dbraw/zinc/14/28/83/515142883.db2.gz HXZBXWKNSNXXQK-ZDUSSCGKSA-N -1 3 354.815 2.861 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472150258 515146563 /nfs/dbraw/zinc/14/65/63/515146563.db2.gz FCPNUKYOUXHXGG-VIFPVBQESA-N -1 3 350.362 2.771 20 30 FFEDHM CCc1ccc([O-])c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000509724396 515303473 /nfs/dbraw/zinc/30/34/73/515303473.db2.gz MJCJYFUGBYZFJA-SFHVURJKSA-N -1 3 363.417 2.752 20 30 FFEDHM C=CCCCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000468390120 515335675 /nfs/dbraw/zinc/33/56/75/515335675.db2.gz QZQVBTJHVWHABI-UHFFFAOYSA-N -1 3 370.453 2.727 20 30 FFEDHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)no1 ZINC000477128854 515341822 /nfs/dbraw/zinc/34/18/22/515341822.db2.gz RGRLTACFIQLLIR-UHFFFAOYSA-N -1 3 368.418 2.536 20 30 FFEDHM CN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000504669883 515351902 /nfs/dbraw/zinc/35/19/02/515351902.db2.gz NIAMBPZHWGFTDA-UHFFFAOYSA-N -1 3 363.826 2.736 20 30 FFEDHM C[C@]1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCc2ccccc21 ZINC000509944519 515378533 /nfs/dbraw/zinc/37/85/33/515378533.db2.gz LZRRQFBBZWQERO-SFHVURJKSA-N -1 3 371.418 2.996 20 30 FFEDHM COc1cccc2c(C(=O)Nc3ncccc3OCCCC#N)[n-]nc21 ZINC000486204178 515378726 /nfs/dbraw/zinc/37/87/26/515378726.db2.gz NXNXEQICVJYUDH-UHFFFAOYSA-N -1 3 351.366 2.901 20 30 FFEDHM COc1cccc2c(C(=O)Nc3ncccc3OCCCC#N)n[n-]c21 ZINC000486204178 515378735 /nfs/dbraw/zinc/37/87/35/515378735.db2.gz NXNXEQICVJYUDH-UHFFFAOYSA-N -1 3 351.366 2.901 20 30 FFEDHM C=C(CC)CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000456811579 515438914 /nfs/dbraw/zinc/43/89/14/515438914.db2.gz JVYQCBCRVDSZIZ-UHFFFAOYSA-N -1 3 350.362 2.773 20 30 FFEDHM C=C(CC)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000456826851 515446298 /nfs/dbraw/zinc/44/62/98/515446298.db2.gz JNHOHRYSMOSUOR-UHFFFAOYSA-N -1 3 354.453 2.516 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000468932964 515587283 /nfs/dbraw/zinc/58/72/83/515587283.db2.gz MDOKMQPWUWGRSK-UHFFFAOYSA-N -1 3 372.462 2.992 20 30 FFEDHM CCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1[O-] ZINC000487163824 515782562 /nfs/dbraw/zinc/78/25/62/515782562.db2.gz UVBHPSGMJVBEDJ-GOSISDBHSA-N -1 3 363.417 2.752 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511284252 515852023 /nfs/dbraw/zinc/85/20/23/515852023.db2.gz IKFIZMUPOGAPBO-UHFFFAOYSA-N -1 3 355.195 2.951 20 30 FFEDHM C[C@@]1(c2ccc(CNc3ccc(Cl)cc3C#N)cc2)NC(=O)[N-]C1=O ZINC000511395915 515889022 /nfs/dbraw/zinc/88/90/22/515889022.db2.gz FOURBZRVXBARPS-SFHVURJKSA-N -1 3 354.797 2.878 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c1 ZINC000511425785 515899771 /nfs/dbraw/zinc/89/97/71/515899771.db2.gz MSAGHPLMORBGGL-UHFFFAOYSA-N -1 3 350.337 2.849 20 30 FFEDHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(C)C ZINC000478763631 515953746 /nfs/dbraw/zinc/95/37/46/515953746.db2.gz VWUGRKXOJQOREV-MRXNPFEDSA-N -1 3 372.874 2.858 20 30 FFEDHM N#CC(=C([O-])c1cncc(N2CCOCC2)c1)c1nccc2ccccc21 ZINC000483234664 515997815 /nfs/dbraw/zinc/99/78/15/515997815.db2.gz KXAYKPQJLZLIBT-IBGZPJMESA-N -1 3 358.401 2.956 20 30 FFEDHM COc1ncnc(OC)c1C(=O)[N-]c1nc(-c2cccc(C#N)c2)cs1 ZINC000501142147 515998729 /nfs/dbraw/zinc/99/87/29/515998729.db2.gz MZOJESZYWIRISQ-UHFFFAOYSA-N -1 3 367.390 2.741 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000479126772 516068189 /nfs/dbraw/zinc/06/81/89/516068189.db2.gz KLJFERXKZBJMHO-ZDUSSCGKSA-N -1 3 360.863 2.582 20 30 FFEDHM C[C@@H](Sc1ccc(C#N)cn1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000495268395 516123569 /nfs/dbraw/zinc/12/35/69/516123569.db2.gz WINDOZHVEUQUHR-LLVKDONJSA-N -1 3 361.448 2.688 20 30 FFEDHM Cc1noc([C@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000557768678 516428281 /nfs/dbraw/zinc/42/82/81/516428281.db2.gz RSEOXRFDYCQTEZ-MRXNPFEDSA-N -1 3 369.425 2.654 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)N=c3cc4ccccn4[n-]3)CC2)cc1 ZINC000554534510 516493015 /nfs/dbraw/zinc/49/30/15/516493015.db2.gz VBTQYXCYTFKGQD-UHFFFAOYSA-N -1 3 361.405 2.703 20 30 FFEDHM CS[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)(C)C ZINC000544100583 516580787 /nfs/dbraw/zinc/58/07/87/516580787.db2.gz XTBHLDFXVFHXQK-CYBMUJFWSA-N -1 3 357.457 2.522 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000561555619 516650905 /nfs/dbraw/zinc/65/09/05/516650905.db2.gz IEPZQVRRIXOODT-BTDLBPIBSA-N -1 3 364.373 2.778 20 30 FFEDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000554888685 516683808 /nfs/dbraw/zinc/68/38/08/516683808.db2.gz RNTSPTSDTXRXFX-UHFFFAOYSA-N -1 3 372.372 2.833 20 30 FFEDHM C=C[C@@](C)(O)CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000554999389 516739235 /nfs/dbraw/zinc/73/92/35/516739235.db2.gz IAFDFSNIIJVJPI-OAHLLOKOSA-N -1 3 368.206 2.666 20 30 FFEDHM COCC[C@@H](Cc1ccco1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000541278600 516963805 /nfs/dbraw/zinc/96/38/05/516963805.db2.gz LHWUGKIHLPSHAM-HNNXBMFYSA-N -1 3 371.437 2.565 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2c(c1)COC2 ZINC000532741990 517125348 /nfs/dbraw/zinc/12/53/48/517125348.db2.gz HPMOJWLPWZLNKB-UHFFFAOYSA-N -1 3 351.406 2.555 20 30 FFEDHM CC(C#N)C(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000532830399 517161967 /nfs/dbraw/zinc/16/19/67/517161967.db2.gz NICUEALFZJQNKC-NWDGAFQWSA-N -1 3 363.464 2.886 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000549030059 517364348 /nfs/dbraw/zinc/36/43/48/517364348.db2.gz XKWWGOQTKUWEDG-YWVIFJGQSA-N -1 3 359.470 2.918 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1noc(Cc2ccccc2)n1 ZINC000546074277 517528320 /nfs/dbraw/zinc/52/83/20/517528320.db2.gz NQACRGDTGJBVGC-AWEZNQCLSA-N -1 3 374.466 2.725 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000546075440 517529999 /nfs/dbraw/zinc/52/99/99/517529999.db2.gz LMUJQMJRSDZOML-XJKSGUPXSA-N -1 3 354.447 2.905 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000538283808 517539914 /nfs/dbraw/zinc/53/99/14/517539914.db2.gz PTXGYSSOMYYCAS-DIFFPNOSSA-N -1 3 366.389 2.891 20 30 FFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553243892 517596156 /nfs/dbraw/zinc/59/61/56/517596156.db2.gz DOTSOCIBIHTTSC-UHFFFAOYSA-N -1 3 361.323 2.860 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000542765515 517725021 /nfs/dbraw/zinc/72/50/21/517725021.db2.gz IBJDCAXRMSYJQC-LBPRGKRZSA-N -1 3 353.831 2.700 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1c(F)cccc1F ZINC000546770336 517848242 /nfs/dbraw/zinc/84/82/42/517848242.db2.gz ZUPLKKUEFUZHRE-OAHLLOKOSA-N -1 3 371.453 2.571 20 30 FFEDHM CC1CCN([C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)c2ccccc2)CC1 ZINC000553799473 517912261 /nfs/dbraw/zinc/91/22/61/517912261.db2.gz XQLBSVGRZBGNIB-SFHVURJKSA-N -1 3 373.478 2.903 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C(=O)OC)c1c(F)cccc1Cl ZINC000543143264 517931249 /nfs/dbraw/zinc/93/12/49/517931249.db2.gz DVMNZEDYJJADQL-LLVKDONJSA-N -1 3 357.794 2.969 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(COc3ccccc3C#N)n2)cc1 ZINC000547018232 517958904 /nfs/dbraw/zinc/95/89/04/517958904.db2.gz DTXAMKXKPQLDSQ-UHFFFAOYSA-N -1 3 370.390 2.559 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c([O-])c1 ZINC000534828412 518048913 /nfs/dbraw/zinc/04/89/13/518048913.db2.gz VECOVDRXZPDRHX-LBPRGKRZSA-N -1 3 354.362 2.847 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000530974935 518079016 /nfs/dbraw/zinc/07/90/16/518079016.db2.gz MTUBZNIVJHIGNO-FTLABTOESA-N -1 3 360.410 2.929 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000522510659 518119776 /nfs/dbraw/zinc/11/97/76/518119776.db2.gz FOXKVEZKGXZMKX-UHFFFAOYSA-N -1 3 370.434 2.823 20 30 FFEDHM COc1ccccc1[C@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)OC(C)C ZINC000569769726 518278950 /nfs/dbraw/zinc/27/89/50/518278950.db2.gz KYJCTKPQVVSVHR-KRWDZBQOSA-N -1 3 366.483 2.775 20 30 FFEDHM C[C@H](C#N)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000584325654 518283536 /nfs/dbraw/zinc/28/35/36/518283536.db2.gz HVCZBVKCCJGITA-SSDOTTSWSA-N -1 3 368.618 2.833 20 30 FFEDHM C[C@H](C#N)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000584325654 518283540 /nfs/dbraw/zinc/28/35/40/518283540.db2.gz HVCZBVKCCJGITA-SSDOTTSWSA-N -1 3 368.618 2.833 20 30 FFEDHM N#CC(=C([O-])c1ccc2n[nH]c(=O)n2c1)c1nc2ccccc2n1C(F)F ZINC000575855598 518312720 /nfs/dbraw/zinc/31/27/20/518312720.db2.gz KKZDBYGFBYERSH-SNVBAGLBSA-N -1 3 368.303 2.670 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nccn1-c1ccccc1 ZINC000581565763 518348499 /nfs/dbraw/zinc/34/84/99/518348499.db2.gz FMLHPFDXSJEAOC-CYBMUJFWSA-N -1 3 370.409 2.923 20 30 FFEDHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000569985188 518388391 /nfs/dbraw/zinc/38/83/91/518388391.db2.gz ZRENSQNTLWACCO-UHFFFAOYSA-N -1 3 362.393 2.699 20 30 FFEDHM C=CCOc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)c1 ZINC000564339917 518407825 /nfs/dbraw/zinc/40/78/25/518407825.db2.gz NPNOIXJRQVCADV-UHFFFAOYSA-N -1 3 353.440 2.727 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1COc2ccccc21 ZINC000576142735 518449112 /nfs/dbraw/zinc/44/91/12/518449112.db2.gz VKBALFLNSXBJDF-CQSZACIVSA-N -1 3 351.406 2.501 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000585739382 518579608 /nfs/dbraw/zinc/57/96/08/518579608.db2.gz ZBMWFNWQDGFZFI-UHFFFAOYSA-N -1 3 351.653 2.931 20 30 FFEDHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(F)cc3C#N)CC2)c1 ZINC000576506512 518626231 /nfs/dbraw/zinc/62/62/31/518626231.db2.gz RVOBCBWJRXJKHW-UHFFFAOYSA-N -1 3 360.410 2.716 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000576528421 518637035 /nfs/dbraw/zinc/63/70/35/518637035.db2.gz HCBCVBOXVRHRLD-QMMMGPOBSA-N -1 3 365.224 2.567 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1(CO)CCCC1 ZINC000565293593 518883626 /nfs/dbraw/zinc/88/36/26/518883626.db2.gz SKBGNZTYIUMRGR-INIZCTEOSA-N -1 3 354.447 2.553 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568196365 518920018 /nfs/dbraw/zinc/92/00/18/518920018.db2.gz ANOJGENCEIRAQS-UHFFFAOYSA-N -1 3 361.323 2.860 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1F ZINC000589559555 519031278 /nfs/dbraw/zinc/03/12/78/519031278.db2.gz LVEQOMNVJHKZNM-UHFFFAOYSA-N -1 3 366.345 2.618 20 30 FFEDHM C[C@]1(c2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2)NC(=O)[N-]C1=O ZINC000568449645 519042086 /nfs/dbraw/zinc/04/20/86/519042086.db2.gz NQTZYFZGRMCWIG-GOSISDBHSA-N -1 3 368.780 2.519 20 30 FFEDHM CC1(C)c2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2NC1=O ZINC000568464646 519050242 /nfs/dbraw/zinc/05/02/42/519050242.db2.gz TYTQXYYRUZHLKD-CYBMUJFWSA-N -1 3 363.421 2.724 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000571350994 519051778 /nfs/dbraw/zinc/05/17/78/519051778.db2.gz FOCANRIBOZHASE-PIGZYNQJSA-N -1 3 366.389 2.891 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000577478638 519101284 /nfs/dbraw/zinc/10/12/84/519101284.db2.gz PKMIVQAYADERNT-UHFFFAOYSA-N -1 3 361.236 2.881 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000565779176 519129456 /nfs/dbraw/zinc/12/94/56/519129456.db2.gz VTNRKHHSMSBUQJ-INIZCTEOSA-N -1 3 350.422 2.619 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000590165964 519166668 /nfs/dbraw/zinc/16/66/68/519166668.db2.gz KOIYKQHUUAPUBL-NSHDSACASA-N -1 3 361.370 2.791 20 30 FFEDHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000568808871 519223698 /nfs/dbraw/zinc/22/36/98/519223698.db2.gz SCTJVSHIWLVFEI-CQSZACIVSA-N -1 3 373.862 2.524 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccs1 ZINC000583468196 519261339 /nfs/dbraw/zinc/26/13/39/519261339.db2.gz LBFSGNOIMJJIIZ-HNNXBMFYSA-N -1 3 368.455 2.797 20 30 FFEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000590589009 519277838 /nfs/dbraw/zinc/27/78/38/519277838.db2.gz GHMSZEKTDRDWKC-UHFFFAOYSA-N -1 3 361.423 2.927 20 30 FFEDHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000574866908 519373471 /nfs/dbraw/zinc/37/34/71/519373471.db2.gz RDHBHEXWYJHGTJ-UHFFFAOYSA-N -1 3 370.446 2.876 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000571989024 519383144 /nfs/dbraw/zinc/38/31/44/519383144.db2.gz MNOQBRYTZAZDNS-CYBMUJFWSA-N -1 3 359.304 2.516 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000572082003 519433339 /nfs/dbraw/zinc/43/33/39/519433339.db2.gz PPMDRGIJPDTKKH-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM CC(C)(C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000566619546 519582150 /nfs/dbraw/zinc/58/21/50/519582150.db2.gz AUHLFKSIPYPBCQ-UHFFFAOYSA-N -1 3 351.653 2.824 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)CC(C)C)c1 ZINC000612535314 520009265 /nfs/dbraw/zinc/00/92/65/520009265.db2.gz MECMWVYJWNSCRT-CYBMUJFWSA-N -1 3 356.382 2.609 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@](C)(O)C1CC1 ZINC000594758280 520139285 /nfs/dbraw/zinc/13/92/85/520139285.db2.gz JHZBXXQCERVAKG-MRXNPFEDSA-N -1 3 350.465 2.521 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1O ZINC000594760945 520140790 /nfs/dbraw/zinc/14/07/90/520140790.db2.gz AGTOACCMHDTOCU-KBPBESRZSA-N -1 3 350.465 2.663 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cccc(OC)c1 ZINC000594829140 520177089 /nfs/dbraw/zinc/17/70/89/520177089.db2.gz HZQTXIGPAVRVHT-QGZVFWFLSA-N -1 3 366.483 2.776 20 30 FFEDHM N#Cc1c(F)cc(C(=O)[N-]c2nnc(C3CCOCC3)s2)cc1F ZINC000597697479 520182625 /nfs/dbraw/zinc/18/26/25/520182625.db2.gz DRGLDPUYVBMMBY-UHFFFAOYSA-N -1 3 350.350 2.834 20 30 FFEDHM C=C1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000594848240 520186281 /nfs/dbraw/zinc/18/62/81/520186281.db2.gz YZOFYAGPOYOOPU-UHFFFAOYSA-N -1 3 363.414 2.747 20 30 FFEDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1 ZINC000594851179 520188140 /nfs/dbraw/zinc/18/81/40/520188140.db2.gz HBSVENLNZYJAPL-GWCFXTLKSA-N -1 3 373.272 2.557 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3cc(F)ccc3C2)CCCCC1 ZINC000594854416 520190754 /nfs/dbraw/zinc/19/07/54/520190754.db2.gz JVRYYXOGTDDXKZ-OAHLLOKOSA-N -1 3 352.431 2.523 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(Cl)c1 ZINC000594870069 520200475 /nfs/dbraw/zinc/20/04/75/520200475.db2.gz ZJHBOLHTIVNTHN-UHFFFAOYSA-N -1 3 370.858 2.879 20 30 FFEDHM N#CCN1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000609337484 520285791 /nfs/dbraw/zinc/28/57/91/520285791.db2.gz OCYGBOOGVRDVCL-UHFFFAOYSA-N -1 3 363.461 2.895 20 30 FFEDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000600638286 520369954 /nfs/dbraw/zinc/36/99/54/520369954.db2.gz CJYPISRIWVJGAO-GOSISDBHSA-N -1 3 362.426 2.891 20 30 FFEDHM C[C@H](C#N)N(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000598128048 520443074 /nfs/dbraw/zinc/44/30/74/520443074.db2.gz GQVCSMUGZNLCMI-SECBINFHSA-N -1 3 360.211 2.807 20 30 FFEDHM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)C[C@H]3CCCO3)cn2)cc1 ZINC000609819159 520444155 /nfs/dbraw/zinc/44/41/55/520444155.db2.gz ZFCMCJLYGAIPNR-MRXNPFEDSA-N -1 3 359.407 2.666 20 30 FFEDHM CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000613345367 520456317 /nfs/dbraw/zinc/45/63/17/520456317.db2.gz JMTFLVPQKJOGTG-AEFFLSMTSA-N -1 3 367.453 2.793 20 30 FFEDHM CC(C)(C)OC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C1CCC1 ZINC000595419184 520459737 /nfs/dbraw/zinc/45/97/37/520459737.db2.gz WJJUHQSJQIKAGB-CYBMUJFWSA-N -1 3 370.496 2.656 20 30 FFEDHM CCN(CC)c1nc2sc(C(=O)[N-]c3nn(C)c(C)c3C#N)cc2s1 ZINC000592646498 520501578 /nfs/dbraw/zinc/50/15/78/520501578.db2.gz POXBDUGVLXTABH-UHFFFAOYSA-N -1 3 374.495 2.792 20 30 FFEDHM Cc1ccc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C#N ZINC000600905375 520522362 /nfs/dbraw/zinc/52/23/62/520522362.db2.gz JLNUCKQCPUKSIA-DEOSSOPVSA-N -1 3 355.341 2.830 20 30 FFEDHM COc1cccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000598501762 520660514 /nfs/dbraw/zinc/66/05/14/520660514.db2.gz FEUDQOPHNPANAZ-UHFFFAOYSA-N -1 3 353.422 2.842 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)nn1C ZINC000598893123 520906710 /nfs/dbraw/zinc/90/67/10/520906710.db2.gz JKRNNBCZBHQNFW-UHFFFAOYSA-N -1 3 367.331 2.599 20 30 FFEDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614365842 520927720 /nfs/dbraw/zinc/92/77/20/520927720.db2.gz ULNVDCLRKIEISM-UHFFFAOYSA-N -1 3 351.450 2.900 20 30 FFEDHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611021800 520950392 /nfs/dbraw/zinc/95/03/92/520950392.db2.gz HRCIROUPKBMOOC-WBMJQRKESA-N -1 3 364.854 2.655 20 30 FFEDHM Cc1ccc(Nc2cccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2)nn1 ZINC000606145692 521007387 /nfs/dbraw/zinc/00/73/87/521007387.db2.gz JGBJCZVHTATDGP-KRWDZBQOSA-N -1 3 358.405 2.847 20 30 FFEDHM COCCCOc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593569161 521082811 /nfs/dbraw/zinc/08/28/11/521082811.db2.gz XNNIRWVEQGDNFV-UHFFFAOYSA-N -1 3 366.464 2.514 20 30 FFEDHM COc1ccc(OC)c(CCC[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593571477 521083982 /nfs/dbraw/zinc/08/39/82/521083982.db2.gz UDRYDTFECSZFEZ-UHFFFAOYSA-N -1 3 366.464 2.548 20 30 FFEDHM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000593654154 521133077 /nfs/dbraw/zinc/13/30/77/521133077.db2.gz RAZHYCQTCYJOMX-JTQLQIEISA-N -1 3 362.373 2.670 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)[N-]c2nncn2-c2ccccc2)cc1 ZINC000611442501 521159708 /nfs/dbraw/zinc/15/97/08/521159708.db2.gz YZJDRZMCFRBPNJ-GOSISDBHSA-N -1 3 358.405 2.746 20 30 FFEDHM N#CCCN1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000602204250 521208875 /nfs/dbraw/zinc/20/88/75/521208875.db2.gz JCNVLPOGRKYCFR-UHFFFAOYSA-N -1 3 351.406 2.856 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000593787365 521213205 /nfs/dbraw/zinc/21/32/05/521213205.db2.gz IEPVNDAKCIQHGP-ORAYPTAESA-N -1 3 371.412 2.586 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3ccc([O-])cc3F)CC2)c1 ZINC000593886980 521274716 /nfs/dbraw/zinc/27/47/16/521274716.db2.gz WVJVXIKEWNKIAA-UHFFFAOYSA-N -1 3 353.397 2.797 20 30 FFEDHM COC(=O)Cc1csc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000619109781 521403023 /nfs/dbraw/zinc/40/30/23/521403023.db2.gz DCBIIVUFIQHHGN-UHFFFAOYSA-N -1 3 368.374 2.638 20 30 FFEDHM N#CC1(c2ccc(CN3CCN(C(=O)c4cccc([O-])c4)CC3)cc2)CC1 ZINC000596994302 521431444 /nfs/dbraw/zinc/43/14/44/521431444.db2.gz DCJOGMACWVKHOV-UHFFFAOYSA-N -1 3 361.445 2.905 20 30 FFEDHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C2 ZINC000612143678 521505432 /nfs/dbraw/zinc/50/54/32/521505432.db2.gz CUYMNGXKTLDNIU-INIZCTEOSA-N -1 3 360.410 2.542 20 30 FFEDHM Cc1ccccc1-c1cc(=NC(=O)C(=O)N2CCc3ccc(C#N)cc32)[nH][n-]1 ZINC000516843249 562059942 /nfs/dbraw/zinc/05/99/42/562059942.db2.gz WIMWPYFHBUSHCU-UHFFFAOYSA-N -1 3 371.400 2.785 20 30 FFEDHM C=CCNC(=S)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735432837 598827428 /nfs/dbraw/zinc/82/74/28/598827428.db2.gz WOTIZYDUJIZORR-UHFFFAOYSA-N -1 3 356.480 2.745 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CCC(C)(C)C ZINC000735426096 598834089 /nfs/dbraw/zinc/83/40/89/598834089.db2.gz KHQFWJLIWIBROY-UHFFFAOYSA-N -1 3 363.487 2.621 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCC(C)(C)C ZINC000735426096 598834091 /nfs/dbraw/zinc/83/40/91/598834091.db2.gz KHQFWJLIWIBROY-UHFFFAOYSA-N -1 3 363.487 2.621 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735975120 598858204 /nfs/dbraw/zinc/85/82/04/598858204.db2.gz NHRUKOQOHJSICB-ZDUSSCGKSA-N -1 3 363.377 2.905 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735975120 598858205 /nfs/dbraw/zinc/85/82/05/598858205.db2.gz NHRUKOQOHJSICB-ZDUSSCGKSA-N -1 3 363.377 2.905 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737716276 598915538 /nfs/dbraw/zinc/91/55/38/598915538.db2.gz OHEZXMMERWHWFF-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737716276 598915540 /nfs/dbraw/zinc/91/55/40/598915540.db2.gz OHEZXMMERWHWFF-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM Cc1ccccc1SCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737432423 598921453 /nfs/dbraw/zinc/92/14/53/598921453.db2.gz XSEXPTFRVWGDFQ-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM Cc1ccccc1SCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737432423 598921455 /nfs/dbraw/zinc/92/14/55/598921455.db2.gz XSEXPTFRVWGDFQ-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c21 ZINC000737407277 598925607 /nfs/dbraw/zinc/92/56/07/598925607.db2.gz CBFSUIWOPASGRO-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c21 ZINC000737407277 598925609 /nfs/dbraw/zinc/92/56/09/598925609.db2.gz CBFSUIWOPASGRO-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2cnccn2)cc1 ZINC000819718248 607253172 /nfs/dbraw/zinc/25/31/72/607253172.db2.gz BVJPVVXTVBKYNQ-UHFFFAOYSA-N -1 3 372.392 2.573 20 30 FFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2cnccn2)cc1 ZINC000819718248 607253173 /nfs/dbraw/zinc/25/31/73/607253173.db2.gz BVJPVVXTVBKYNQ-UHFFFAOYSA-N -1 3 372.392 2.573 20 30 FFEDHM C=CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409795 598968836 /nfs/dbraw/zinc/96/88/36/598968836.db2.gz LHIJMWUXAYIZRP-INIZCTEOSA-N -1 3 366.450 2.787 20 30 FFEDHM C=CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409795 598968839 /nfs/dbraw/zinc/96/88/39/598968839.db2.gz LHIJMWUXAYIZRP-INIZCTEOSA-N -1 3 366.450 2.787 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735442585 598995536 /nfs/dbraw/zinc/99/55/36/598995536.db2.gz HUTCSWUWPSKVFB-UHFFFAOYSA-N -1 3 356.407 2.671 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735442585 598995538 /nfs/dbraw/zinc/99/55/38/598995538.db2.gz HUTCSWUWPSKVFB-UHFFFAOYSA-N -1 3 356.407 2.671 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(O)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202863 599157316 /nfs/dbraw/zinc/15/73/16/599157316.db2.gz PLUZZNHVKZSEAE-NYYWCZLTSA-N -1 3 372.388 2.963 20 30 FFEDHM Cc1n[nH]c(C)c1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737454073 599158296 /nfs/dbraw/zinc/15/82/96/599158296.db2.gz XDPSOLOIVHKUBZ-CMDGGOBGSA-N -1 3 374.408 2.597 20 30 FFEDHM COc1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000737158799 599191577 /nfs/dbraw/zinc/19/15/77/599191577.db2.gz JFAILWYDNPJBLK-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM COc1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000737158799 599191580 /nfs/dbraw/zinc/19/15/80/599191580.db2.gz JFAILWYDNPJBLK-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1-c1ccccc1 ZINC000737593261 599192197 /nfs/dbraw/zinc/19/21/97/599192197.db2.gz PHGFIQYUXZUZHF-UHFFFAOYSA-N -1 3 369.388 2.996 20 30 FFEDHM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1-c1ccccc1 ZINC000737593261 599192199 /nfs/dbraw/zinc/19/21/99/599192199.db2.gz PHGFIQYUXZUZHF-UHFFFAOYSA-N -1 3 369.388 2.996 20 30 FFEDHM CC(C)c1noc2ncc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc21 ZINC000735954152 599195330 /nfs/dbraw/zinc/19/53/30/599195330.db2.gz SJVUFBTZALZXSN-UHFFFAOYSA-N -1 3 374.364 2.650 20 30 FFEDHM CC(C)c1noc2ncc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc21 ZINC000735954152 599195333 /nfs/dbraw/zinc/19/53/33/599195333.db2.gz SJVUFBTZALZXSN-UHFFFAOYSA-N -1 3 374.364 2.650 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737716899 599195374 /nfs/dbraw/zinc/19/53/74/599195374.db2.gz WLLUQFVJIBNYNC-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737716899 599195378 /nfs/dbraw/zinc/19/53/78/599195378.db2.gz WLLUQFVJIBNYNC-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM C[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820350425 599261883 /nfs/dbraw/zinc/26/18/83/599261883.db2.gz KSDYHWRLOWJNKG-CHWSQXEVSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820350425 599261884 /nfs/dbraw/zinc/26/18/84/599261884.db2.gz KSDYHWRLOWJNKG-CHWSQXEVSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819856651 607323168 /nfs/dbraw/zinc/32/31/68/607323168.db2.gz JZZVBIFROVJFGA-ZDUSSCGKSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819856651 607323169 /nfs/dbraw/zinc/32/31/69/607323169.db2.gz JZZVBIFROVJFGA-ZDUSSCGKSA-N -1 3 363.377 2.762 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2CCCc3sccc32)ccc1-c1nnn[n-]1 ZINC000822823768 607353225 /nfs/dbraw/zinc/35/32/25/607353225.db2.gz ZBJJMAOJZBPNKV-AWEZNQCLSA-N -1 3 350.407 2.858 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2CCCc3sccc32)ccc1-c1nn[n-]n1 ZINC000822823768 607353226 /nfs/dbraw/zinc/35/32/26/607353226.db2.gz ZBJJMAOJZBPNKV-AWEZNQCLSA-N -1 3 350.407 2.858 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202532 598377239 /nfs/dbraw/zinc/37/72/39/598377239.db2.gz NHBBRZWSPZXZKI-BQYQJAHWSA-N -1 3 364.365 2.727 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202532 598377241 /nfs/dbraw/zinc/37/72/41/598377241.db2.gz NHBBRZWSPZXZKI-BQYQJAHWSA-N -1 3 364.365 2.727 20 30 FFEDHM N#Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)n2)cc1 ZINC000737710035 598437446 /nfs/dbraw/zinc/43/74/46/598437446.db2.gz QITOMETYOYHOBF-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)n2)cc1 ZINC000737710035 598437448 /nfs/dbraw/zinc/43/74/48/598437448.db2.gz QITOMETYOYHOBF-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735502195 598495740 /nfs/dbraw/zinc/49/57/40/598495740.db2.gz BVQKHCSGKVHRJU-LLVKDONJSA-N -1 3 365.422 2.766 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735502195 598495742 /nfs/dbraw/zinc/49/57/42/598495742.db2.gz BVQKHCSGKVHRJU-LLVKDONJSA-N -1 3 365.422 2.766 20 30 FFEDHM Cc1sc(NC(=O)Cc2ccc(OCC#N)cc2)c(-c2nnn[n-]2)c1C ZINC000737564633 598647454 /nfs/dbraw/zinc/64/74/54/598647454.db2.gz RQUYZTRKSFKFCZ-UHFFFAOYSA-N -1 3 368.422 2.629 20 30 FFEDHM Cc1sc(NC(=O)Cc2ccc(OCC#N)cc2)c(-c2nn[n-]n2)c1C ZINC000737564633 598647456 /nfs/dbraw/zinc/64/74/56/598647456.db2.gz RQUYZTRKSFKFCZ-UHFFFAOYSA-N -1 3 368.422 2.629 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737723091 598661213 /nfs/dbraw/zinc/66/12/13/598661213.db2.gz PDKLPSWGXYFTBU-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737723091 598661214 /nfs/dbraw/zinc/66/12/14/598661214.db2.gz PDKLPSWGXYFTBU-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM Cc1ccc(F)cc1NC(=O)C=NOCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737346039 598675994 /nfs/dbraw/zinc/67/59/94/598675994.db2.gz CBBHPCVAPZTVJY-UHFFFAOYSA-N -1 3 372.335 2.594 20 30 FFEDHM Cc1ccc(F)cc1NC(=O)C=NOCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737346039 598675995 /nfs/dbraw/zinc/67/59/95/598675995.db2.gz CBBHPCVAPZTVJY-UHFFFAOYSA-N -1 3 372.335 2.594 20 30 FFEDHM CC(C)N(CCC#N)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735859032 598686829 /nfs/dbraw/zinc/68/68/29/598686829.db2.gz LNBHIVVJVDJHDL-UHFFFAOYSA-N -1 3 356.430 2.566 20 30 FFEDHM CC(C)N(CCC#N)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735859032 598686830 /nfs/dbraw/zinc/68/68/30/598686830.db2.gz LNBHIVVJVDJHDL-UHFFFAOYSA-N -1 3 356.430 2.566 20 30 FFEDHM CCOc1ccc(C#N)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736638463 599327959 /nfs/dbraw/zinc/32/79/59/599327959.db2.gz ZUCDWCBAGYKPCS-UHFFFAOYSA-N -1 3 350.382 2.628 20 30 FFEDHM CCOc1ccc(C#N)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736638463 599327963 /nfs/dbraw/zinc/32/79/63/599327963.db2.gz ZUCDWCBAGYKPCS-UHFFFAOYSA-N -1 3 350.382 2.628 20 30 FFEDHM C=C(Cl)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735402403 599389542 /nfs/dbraw/zinc/38/95/42/599389542.db2.gz UPQMJYWBXXKZQE-UHFFFAOYSA-N -1 3 369.812 2.928 20 30 FFEDHM C=C(Cl)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735402403 599389545 /nfs/dbraw/zinc/38/95/45/599389545.db2.gz UPQMJYWBXXKZQE-UHFFFAOYSA-N -1 3 369.812 2.928 20 30 FFEDHM N#CCN(CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1 ZINC000737693210 599590445 /nfs/dbraw/zinc/59/04/45/599590445.db2.gz MOOCJTFBUMYVEL-UHFFFAOYSA-N -1 3 373.848 2.617 20 30 FFEDHM N#CCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1 ZINC000737693210 599590449 /nfs/dbraw/zinc/59/04/49/599590449.db2.gz MOOCJTFBUMYVEL-UHFFFAOYSA-N -1 3 373.848 2.617 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1-c1nnn[n-]1 ZINC000822829740 599631537 /nfs/dbraw/zinc/63/15/37/599631537.db2.gz GXSDSZJMGIUVGC-WIYYLYMNSA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1-c1nn[n-]n1 ZINC000822829740 599631538 /nfs/dbraw/zinc/63/15/38/599631538.db2.gz GXSDSZJMGIUVGC-WIYYLYMNSA-N -1 3 370.416 2.971 20 30 FFEDHM CCC(CC)CN(CCC#N)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820893840 599640436 /nfs/dbraw/zinc/64/04/36/599640436.db2.gz WWVRGWMGGOXFRA-UHFFFAOYSA-N -1 3 361.475 2.519 20 30 FFEDHM CCC(CC)CN(CCC#N)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820893840 599640437 /nfs/dbraw/zinc/64/04/37/599640437.db2.gz WWVRGWMGGOXFRA-UHFFFAOYSA-N -1 3 361.475 2.519 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826234228 607395895 /nfs/dbraw/zinc/39/58/95/607395895.db2.gz NBHKGAFIQPFPRP-UHFFFAOYSA-N -1 3 359.393 2.858 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826234228 607395897 /nfs/dbraw/zinc/39/58/97/607395897.db2.gz NBHKGAFIQPFPRP-UHFFFAOYSA-N -1 3 359.393 2.858 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000826257265 607401806 /nfs/dbraw/zinc/40/18/06/607401806.db2.gz VKIMNSRTYPOQAB-CYBMUJFWSA-N -1 3 363.377 2.671 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000826257265 607401807 /nfs/dbraw/zinc/40/18/07/607401807.db2.gz VKIMNSRTYPOQAB-CYBMUJFWSA-N -1 3 363.377 2.671 20 30 FFEDHM COc1cccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738107260 600562430 /nfs/dbraw/zinc/56/24/30/600562430.db2.gz WSHRNOCZTUHVRE-IBGZPJMESA-N -1 3 351.406 2.515 20 30 FFEDHM CCN(CC)C(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829658520 601300779 /nfs/dbraw/zinc/30/07/79/601300779.db2.gz ILKUDQHKNHUTQK-LJQANCHMSA-N -1 3 365.433 2.956 20 30 FFEDHM CCCCCC(=O)NC1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000829304806 601312610 /nfs/dbraw/zinc/31/26/10/601312610.db2.gz LUEQKUVIBHTAPC-IBGZPJMESA-N -1 3 357.454 2.845 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000738485687 602679371 /nfs/dbraw/zinc/67/93/71/602679371.db2.gz NNKOKEDLHNPCMW-UHFFFAOYSA-N -1 3 358.442 2.889 20 30 FFEDHM C[C@H](NCC1(NC(=O)[O-])CCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000825484037 603640986 /nfs/dbraw/zinc/64/09/86/603640986.db2.gz DFOXZIYWFAYVRK-INIZCTEOSA-N -1 3 372.469 2.882 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827595071 604220980 /nfs/dbraw/zinc/22/09/80/604220980.db2.gz LJEDAWBZEPWTGV-HRCADAONSA-N -1 3 371.437 2.895 20 30 FFEDHM N#CCC[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381635 607707998 /nfs/dbraw/zinc/70/79/98/607707998.db2.gz SPYUDLMAYBDPSC-KRWDZBQOSA-N -1 3 361.409 2.711 20 30 FFEDHM N#CCC[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381635 607708000 /nfs/dbraw/zinc/70/80/00/607708000.db2.gz SPYUDLMAYBDPSC-KRWDZBQOSA-N -1 3 361.409 2.711 20 30 FFEDHM N#CC(C(=O)C[C@H]1CSCCN1C(=O)[O-])c1ccc2ccccc2n1 ZINC000831065153 605347060 /nfs/dbraw/zinc/34/70/60/605347060.db2.gz PLSATZLRQSRCJJ-UONOGXRCSA-N -1 3 355.419 2.897 20 30 FFEDHM N#CCCn1cc(CN2CCC(NC(=O)[O-])CC2)c(-c2ccccc2)n1 ZINC000833965231 605482468 /nfs/dbraw/zinc/48/24/68/605482468.db2.gz FVAUVXQDDHUUGK-UHFFFAOYSA-N -1 3 353.426 2.696 20 30 FFEDHM Cc1oc(NC(=O)CN[C@H](CNC(=O)[O-])C2CCCCC2)c(C#N)c1C ZINC000833934267 605665950 /nfs/dbraw/zinc/66/59/50/605665950.db2.gz DPTGDDNKIHWXDO-OAHLLOKOSA-N -1 3 362.430 2.513 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1NC(C)=O ZINC000821768916 606305595 /nfs/dbraw/zinc/30/55/95/606305595.db2.gz BARSYTVQAJBUKG-PLNGDYQASA-N -1 3 369.406 2.791 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1NC(C)=O ZINC000821768916 606305597 /nfs/dbraw/zinc/30/55/97/606305597.db2.gz BARSYTVQAJBUKG-PLNGDYQASA-N -1 3 369.406 2.791 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1-c1nnn[n-]1 ZINC000822829647 606337856 /nfs/dbraw/zinc/33/78/56/606337856.db2.gz BPQKKJWFFOUGJG-UHFFFAOYSA-N -1 3 362.324 2.805 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1-c1nn[n-]n1 ZINC000822829647 606337857 /nfs/dbraw/zinc/33/78/57/606337857.db2.gz BPQKKJWFFOUGJG-UHFFFAOYSA-N -1 3 362.324 2.805 20 30 FFEDHM N#C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000822800959 606363553 /nfs/dbraw/zinc/36/35/53/606363553.db2.gz BWLPOXKILYGVRN-HNNXBMFYSA-N -1 3 356.455 2.547 20 30 FFEDHM N#C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000822800959 606363554 /nfs/dbraw/zinc/36/35/54/606363554.db2.gz BWLPOXKILYGVRN-HNNXBMFYSA-N -1 3 356.455 2.547 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822254220 606368966 /nfs/dbraw/zinc/36/89/66/606368966.db2.gz DTQUDSJIKAMVQX-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000822923228 606389685 /nfs/dbraw/zinc/38/96/85/606389685.db2.gz OREKAKHLRMGEQL-CLFYSBASSA-N -1 3 365.418 2.951 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821128197 606584588 /nfs/dbraw/zinc/58/45/88/606584588.db2.gz RIUSEVZHKXRGLB-UHFFFAOYSA-N -1 3 353.411 2.874 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821128197 606584590 /nfs/dbraw/zinc/58/45/90/606584590.db2.gz RIUSEVZHKXRGLB-UHFFFAOYSA-N -1 3 353.411 2.874 20 30 FFEDHM N#Cc1ccc(NCCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)nc1 ZINC000822830106 606920081 /nfs/dbraw/zinc/92/00/81/606920081.db2.gz UXTWAFIPFIGYNN-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1ccc(NCCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)nc1 ZINC000822830106 606920084 /nfs/dbraw/zinc/92/00/84/606920084.db2.gz UXTWAFIPFIGYNN-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM C=CCCS(=O)(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819739870 607003157 /nfs/dbraw/zinc/00/31/57/607003157.db2.gz JRBBWZWSIXVVAX-UHFFFAOYSA-N -1 3 356.407 2.818 20 30 FFEDHM C=CCCS(=O)(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819739870 607003158 /nfs/dbraw/zinc/00/31/58/607003158.db2.gz JRBBWZWSIXVVAX-UHFFFAOYSA-N -1 3 356.407 2.818 20 30 FFEDHM C=CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC000819765794 607006425 /nfs/dbraw/zinc/00/64/25/607006425.db2.gz ROOYKKHKVIOCSV-UHFFFAOYSA-N -1 3 357.418 2.953 20 30 FFEDHM C=CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC000819765794 607006427 /nfs/dbraw/zinc/00/64/27/607006427.db2.gz ROOYKKHKVIOCSV-UHFFFAOYSA-N -1 3 357.418 2.953 20 30 FFEDHM N#Cc1cccc(S[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000822836925 607015710 /nfs/dbraw/zinc/01/57/10/607015710.db2.gz APNXEUHXPDYSCV-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1cccc(S[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000822836925 607015712 /nfs/dbraw/zinc/01/57/12/607015712.db2.gz APNXEUHXPDYSCV-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccccc1C#N ZINC000820004810 607082372 /nfs/dbraw/zinc/08/23/72/607082372.db2.gz DEFLNEKEHHETFB-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccccc1C#N ZINC000820004810 607082373 /nfs/dbraw/zinc/08/23/73/607082373.db2.gz DEFLNEKEHHETFB-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c(F)c1 ZINC000822832640 607170627 /nfs/dbraw/zinc/17/06/27/607170627.db2.gz DGXZKLXKQVQDHR-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c(F)c1 ZINC000822832640 607170628 /nfs/dbraw/zinc/17/06/28/607170628.db2.gz DGXZKLXKQVQDHR-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc(NCC)n1 ZINC000819745883 607194750 /nfs/dbraw/zinc/19/47/50/607194750.db2.gz STKRVKKTQRMOJI-UHFFFAOYSA-N -1 3 369.454 2.583 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc(NCC)n1 ZINC000819745883 607194751 /nfs/dbraw/zinc/19/47/51/607194751.db2.gz STKRVKKTQRMOJI-UHFFFAOYSA-N -1 3 369.454 2.583 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826011102 607843003 /nfs/dbraw/zinc/84/30/03/607843003.db2.gz XEWJYLJMJZVHGN-UITAMQMPSA-N -1 3 359.389 2.672 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826011102 607843004 /nfs/dbraw/zinc/84/30/04/607843004.db2.gz XEWJYLJMJZVHGN-UITAMQMPSA-N -1 3 359.389 2.672 20 30 FFEDHM Cc1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)C(C)(C)C2)o1 ZINC000826322886 608054277 /nfs/dbraw/zinc/05/42/77/608054277.db2.gz FWFCNGSUGGFVDX-UHFFFAOYSA-N -1 3 366.429 2.616 20 30 FFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823862133 608094070 /nfs/dbraw/zinc/09/40/70/608094070.db2.gz XZIOVJCCYNICSK-UHFFFAOYSA-N -1 3 367.463 2.620 20 30 FFEDHM CC(N=Nc1ccc(Br)cn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958578 608094723 /nfs/dbraw/zinc/09/47/23/608094723.db2.gz RHIVXKNBCIWZEE-UHFFFAOYSA-N -1 3 364.232 2.922 20 30 FFEDHM CC(N=Nc1ccc(Br)cn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958578 608094724 /nfs/dbraw/zinc/09/47/24/608094724.db2.gz RHIVXKNBCIWZEE-UHFFFAOYSA-N -1 3 364.232 2.922 20 30 FFEDHM C=CCN(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CC1 ZINC000823904067 608266820 /nfs/dbraw/zinc/26/68/20/608266820.db2.gz UJWZOKLUXZLSQR-UHFFFAOYSA-N -1 3 372.498 2.786 20 30 FFEDHM C=CCN(CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C1CC1 ZINC000823904067 608266822 /nfs/dbraw/zinc/26/68/22/608266822.db2.gz UJWZOKLUXZLSQR-UHFFFAOYSA-N -1 3 372.498 2.786 20 30 FFEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)[C@H]1CCc2ccccc21 ZINC000823845686 608355816 /nfs/dbraw/zinc/35/58/16/608355816.db2.gz WTRACCXCBBJDKS-IBGZPJMESA-N -1 3 359.433 2.998 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)OCC ZINC000823873699 608482717 /nfs/dbraw/zinc/48/27/17/608482717.db2.gz PLSKNKZUPZDXOD-GOSISDBHSA-N -1 3 367.453 2.854 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)OCC ZINC000823873699 608482718 /nfs/dbraw/zinc/48/27/18/608482718.db2.gz PLSKNKZUPZDXOD-GOSISDBHSA-N -1 3 367.453 2.854 20 30 FFEDHM C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824635096 608483701 /nfs/dbraw/zinc/48/37/01/608483701.db2.gz YRUXZCAQICLBBW-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635096 608483703 /nfs/dbraw/zinc/48/37/03/608483703.db2.gz YRUXZCAQICLBBW-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cncc3ccccc32)n1 ZINC000826350914 608537942 /nfs/dbraw/zinc/53/79/42/608537942.db2.gz PZYNQCIHWRTMDS-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM CCCn1nc(C)c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1C ZINC000825362523 608540674 /nfs/dbraw/zinc/54/06/74/608540674.db2.gz NQRFPCFMPTVKCW-UHFFFAOYSA-N -1 3 359.825 2.584 20 30 FFEDHM CCCn1nc(C)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1C ZINC000825362523 608540676 /nfs/dbraw/zinc/54/06/76/608540676.db2.gz NQRFPCFMPTVKCW-UHFFFAOYSA-N -1 3 359.825 2.584 20 30 FFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2nc(-c3cccc(C#N)c3)c[nH]2)n1 ZINC000826263361 609166277 /nfs/dbraw/zinc/16/62/77/609166277.db2.gz XHXMBVKDFHVKMF-UHFFFAOYSA-N -1 3 371.408 2.752 20 30 FFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2nc(-c3cccc(C#N)c3)c[nH]2)n1 ZINC000826263361 609166279 /nfs/dbraw/zinc/16/62/79/609166279.db2.gz XHXMBVKDFHVKMF-UHFFFAOYSA-N -1 3 371.408 2.752 20 30 FFEDHM C=CC[C@H](C)[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823888723 609241582 /nfs/dbraw/zinc/24/15/82/609241582.db2.gz UXYOEFYEPYLSNV-KBPBESRZSA-N -1 3 356.474 2.840 20 30 FFEDHM C=CC[C@H](C)[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823888723 609241583 /nfs/dbraw/zinc/24/15/83/609241583.db2.gz UXYOEFYEPYLSNV-KBPBESRZSA-N -1 3 356.474 2.840 20 30 FFEDHM Cc1nnc(SCCCOc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC000826336757 609305648 /nfs/dbraw/zinc/30/56/48/609305648.db2.gz MHUJMHQRBBFPCM-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccncc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359635 609307655 /nfs/dbraw/zinc/30/76/55/609307655.db2.gz MJHAXFXHYJKCRT-VOTSOKGWSA-N -1 3 357.377 2.558 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccncc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359635 609307657 /nfs/dbraw/zinc/30/76/57/609307657.db2.gz MJHAXFXHYJKCRT-VOTSOKGWSA-N -1 3 357.377 2.558 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCO[C@H](CC)C1 ZINC000823909754 609377803 /nfs/dbraw/zinc/37/78/03/609377803.db2.gz PLRZRTCCQIBJMG-MAUKXSAKSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CCO[C@H](CC)C1 ZINC000823909754 609377806 /nfs/dbraw/zinc/37/78/06/609377806.db2.gz PLRZRTCCQIBJMG-MAUKXSAKSA-N -1 3 369.469 2.977 20 30 FFEDHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCO1 ZINC000824216188 609386833 /nfs/dbraw/zinc/38/68/33/609386833.db2.gz OUCYCIOYEBXOTF-WBMJQRKESA-N -1 3 354.414 2.518 20 30 FFEDHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCO1 ZINC000824216188 609386835 /nfs/dbraw/zinc/38/68/35/609386835.db2.gz OUCYCIOYEBXOTF-WBMJQRKESA-N -1 3 354.414 2.518 20 30 FFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000823973943 609405797 /nfs/dbraw/zinc/40/57/97/609405797.db2.gz MSCFKBKAXADAQN-MDWZMJQESA-N -1 3 365.418 2.557 20 30 FFEDHM Brc1cc(-c2nnn[n-]2)ccc1CON=C1CCCOCC1 ZINC000823820356 609434316 /nfs/dbraw/zinc/43/43/16/609434316.db2.gz CUYSCTNSZKTFSC-UHFFFAOYSA-N -1 3 366.219 2.702 20 30 FFEDHM Brc1cc(-c2nn[n-]n2)ccc1CON=C1CCCOCC1 ZINC000823820356 609434318 /nfs/dbraw/zinc/43/43/18/609434318.db2.gz CUYSCTNSZKTFSC-UHFFFAOYSA-N -1 3 366.219 2.702 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1C#N ZINC000825553003 609490775 /nfs/dbraw/zinc/49/07/75/609490775.db2.gz HMRPMESXZYCSQK-UHFFFAOYSA-N -1 3 369.410 2.980 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cnccc1C ZINC000823909621 609498565 /nfs/dbraw/zinc/49/85/65/609498565.db2.gz LCNUNOXPMUDGIQ-BQYQJAHWSA-N -1 3 360.421 2.798 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cnccc1C ZINC000823909621 609498567 /nfs/dbraw/zinc/49/85/67/609498567.db2.gz LCNUNOXPMUDGIQ-BQYQJAHWSA-N -1 3 360.421 2.798 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824034778 609512242 /nfs/dbraw/zinc/51/22/42/609512242.db2.gz PBMFJXYNSYCZQI-ZDUSSCGKSA-N -1 3 350.382 2.648 20 30 FFEDHM COc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC000826204110 609512837 /nfs/dbraw/zinc/51/28/37/609512837.db2.gz XXJAQSWATWBLAK-GFCCVEGCSA-N -1 3 350.382 2.778 20 30 FFEDHM COc1ccc(CNc2ccccc2O[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC000826204110 609512840 /nfs/dbraw/zinc/51/28/40/609512840.db2.gz XXJAQSWATWBLAK-GFCCVEGCSA-N -1 3 350.382 2.778 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824035052 609624995 /nfs/dbraw/zinc/62/49/95/609624995.db2.gz SHZGRWJFCZAVRP-ZDUSSCGKSA-N -1 3 362.393 2.729 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824035052 609624997 /nfs/dbraw/zinc/62/49/97/609624997.db2.gz SHZGRWJFCZAVRP-ZDUSSCGKSA-N -1 3 362.393 2.729 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1F ZINC000029054596 727890950 /nfs/dbraw/zinc/89/09/50/727890950.db2.gz JIOPKBQKCSMKJD-ZDUSSCGKSA-N -1 3 362.426 2.781 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(CC)CCC2)ccc1F ZINC000084256672 728418691 /nfs/dbraw/zinc/41/86/91/728418691.db2.gz NYLGKBRJRPGRNJ-UHFFFAOYSA-N -1 3 354.447 2.600 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC000179797065 729195090 /nfs/dbraw/zinc/19/50/90/729195090.db2.gz RREHGIBCQJNUTH-CYBMUJFWSA-N -1 3 354.447 2.765 20 30 FFEDHM C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000185333317 729347008 /nfs/dbraw/zinc/34/70/08/729347008.db2.gz HFDPMJAIAVFDNQ-HNNXBMFYSA-N -1 3 356.447 2.856 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cncc(Br)c2)c1 ZINC000193427721 729478498 /nfs/dbraw/zinc/47/84/98/729478498.db2.gz AUTARQHXDDKWSF-CQSZACIVSA-N -1 3 374.194 2.814 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C#N ZINC000313954497 729745704 /nfs/dbraw/zinc/74/57/04/729745704.db2.gz HLNZDGBKOOJSTL-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C2(C(N)=O)C3CC4CC(C3)CC2C4)CCCC1 ZINC000333449360 729808069 /nfs/dbraw/zinc/80/80/69/729808069.db2.gz XHLMCOVZEVXZHQ-UHFFFAOYSA-N -1 3 365.499 2.720 20 30 FFEDHM C=CCCO[N-]C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000856032002 730300192 /nfs/dbraw/zinc/30/01/92/730300192.db2.gz GTACFDFYCGHXOE-HXUWFJFHSA-N -1 3 360.273 2.961 20 30 FFEDHM C=CC(C)(C)CCNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000862396948 730696795 /nfs/dbraw/zinc/69/67/95/730696795.db2.gz FQUCAQGNAIRTQG-LBPRGKRZSA-N -1 3 373.906 2.510 20 30 FFEDHM COCCn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000870379433 731506505 /nfs/dbraw/zinc/50/65/05/731506505.db2.gz SYGCLVYTAVXABF-GFCCVEGCSA-N -1 3 352.316 2.742 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000657148949 731739202 /nfs/dbraw/zinc/73/92/02/731739202.db2.gz HREBHPMKTHJKDW-UHFFFAOYSA-N -1 3 354.291 2.690 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCC2(C#N)CCCCC2)ccc1F ZINC000780485472 738547611 /nfs/dbraw/zinc/54/76/11/738547611.db2.gz LKVFSXYGCFTRSW-UHFFFAOYSA-N -1 3 354.403 2.828 20 30 FFEDHM O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000882557100 733245223 /nfs/dbraw/zinc/24/52/23/733245223.db2.gz QVZCDJOJCJIOQE-QMMMGPOBSA-N -1 3 367.192 2.699 20 30 FFEDHM O=C([N-]CC(F)(F)F)C(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000672989078 733577280 /nfs/dbraw/zinc/57/72/80/733577280.db2.gz YIDQENIZOJCUSR-UHFFFAOYSA-N -1 3 364.192 2.958 20 30 FFEDHM C[C@@H](C(=O)[N-]CC(F)(F)F)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674459566 733708973 /nfs/dbraw/zinc/70/89/73/733708973.db2.gz LYAKMUHJOZBOFY-LYFYHCNISA-N -1 3 360.220 2.726 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)cc1 ZINC000728766654 734542935 /nfs/dbraw/zinc/54/29/35/734542935.db2.gz FDJKPNIACVBJGT-AWEZNQCLSA-N -1 3 356.403 2.791 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCOc2ccc(Cl)cc21 ZINC000783832445 738840449 /nfs/dbraw/zinc/84/04/49/738840449.db2.gz HNDNELHOPNMNOK-UHFFFAOYSA-N -1 3 350.827 2.946 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)ccc1F ZINC000784065347 738859592 /nfs/dbraw/zinc/85/95/92/738859592.db2.gz OCHZGHBPGOUVPI-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM O=C1[C@@H](NCc2cc(Br)ccc2OC(F)F)CCCN1[O-] ZINC000895165980 734970563 /nfs/dbraw/zinc/97/05/63/734970563.db2.gz NXHVDUJIIYLQIX-JTQLQIEISA-N -1 3 365.174 2.520 20 30 FFEDHM N#Cc1cc(Br)ccc1N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000897348242 735223321 /nfs/dbraw/zinc/22/33/21/735223321.db2.gz CXRZPRXTRYDLSH-GFCCVEGCSA-N -1 3 360.215 2.507 20 30 FFEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000749614359 735735076 /nfs/dbraw/zinc/73/50/76/735735076.db2.gz AQYBEXNHDBXCAN-KRWDZBQOSA-N -1 3 369.462 2.571 20 30 FFEDHM C=CCOC[C@@H](NCc1c(C)nn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC000901811648 735843079 /nfs/dbraw/zinc/84/30/79/735843079.db2.gz WDBXDALBSQWFTC-QGZVFWFLSA-N -1 3 363.845 2.888 20 30 FFEDHM C#CCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CSC1 ZINC000903049700 736024002 /nfs/dbraw/zinc/02/40/02/736024002.db2.gz ZJEMJUVSMMSEEZ-UHFFFAOYSA-N -1 3 354.435 2.740 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C(C[C@@H]1CCOC1)c1ccccc1 ZINC000753923034 736107081 /nfs/dbraw/zinc/10/70/81/736107081.db2.gz AXIHLHDHJTUAJF-KRWDZBQOSA-N -1 3 358.463 2.937 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)ccc1F ZINC000754697501 736189322 /nfs/dbraw/zinc/18/93/22/736189322.db2.gz NUBGAMHPYLLIRO-VNHYZAJKSA-N -1 3 368.474 2.845 20 30 FFEDHM CCCCN([O-])C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000904210013 736233863 /nfs/dbraw/zinc/23/38/63/736233863.db2.gz DCRPBJIWUIOCDV-ZDUSSCGKSA-N -1 3 353.806 2.563 20 30 FFEDHM C#CCOc1cccc(Cl)c1CNCCc1ncc(C(=O)[O-])s1 ZINC000905740891 736392791 /nfs/dbraw/zinc/39/27/91/736392791.db2.gz JNLCXWQLWYRZNO-UHFFFAOYSA-N -1 3 350.827 2.839 20 30 FFEDHM COC(=O)c1ccc(N=NCc2ccc([O-])c(Br)c2)nc1 ZINC000758140332 736455508 /nfs/dbraw/zinc/45/55/08/736455508.db2.gz RHNMKNCWFYFSKE-UHFFFAOYSA-N -1 3 350.172 2.782 20 30 FFEDHM C=CCCc1noc([C@@H](CCSC)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000906116471 736459118 /nfs/dbraw/zinc/45/91/18/736459118.db2.gz REVIVUVYUGQSNY-CQSZACIVSA-N -1 3 367.496 2.961 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(CCC)CCC2)ccc1F ZINC000758645653 736509594 /nfs/dbraw/zinc/50/95/94/736509594.db2.gz BLNOIOJCAKGXKL-UHFFFAOYSA-N -1 3 368.474 2.990 20 30 FFEDHM C=CCN(CC(=O)OCC)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907135862 736588281 /nfs/dbraw/zinc/58/82/81/736588281.db2.gz APASGSZESCYEBI-UHFFFAOYSA-N -1 3 369.443 2.681 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C(C)(C)C2)ccc1F ZINC000760133501 736617324 /nfs/dbraw/zinc/61/73/24/736617324.db2.gz ISWDCJASQALEJU-CYBMUJFWSA-N -1 3 368.474 2.798 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(CC)CC)C(=O)[O-] ZINC000908801632 736834426 /nfs/dbraw/zinc/83/44/26/736834426.db2.gz JXBYCVTWRRSQJE-GJZGRUSLSA-N -1 3 353.488 2.850 20 30 FFEDHM O=S(=O)(NN=Cc1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000764723808 737043914 /nfs/dbraw/zinc/04/39/14/737043914.db2.gz UFRHATXMMVTMBO-UHFFFAOYSA-N -1 3 373.203 2.606 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910266118 737050317 /nfs/dbraw/zinc/05/03/17/737050317.db2.gz JZXXGDKZKCYGBZ-ZBFHGGJFSA-N -1 3 368.836 2.750 20 30 FFEDHM C#CC[C@H](CCOC)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000913348750 737394748 /nfs/dbraw/zinc/39/47/48/737394748.db2.gz VSKVYSHDNIBRNG-LLVKDONJSA-N -1 3 353.444 2.648 20 30 FFEDHM CC(N=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1)c1sccc1[O-] ZINC000769782461 737565433 /nfs/dbraw/zinc/56/54/33/737565433.db2.gz YOXDMLNPMLURST-UHFFFAOYSA-N -1 3 368.484 2.762 20 30 FFEDHM CCCCCCOC(=O)[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C ZINC000915366575 737626873 /nfs/dbraw/zinc/62/68/73/737626873.db2.gz DMCXBVBECTVWDZ-INIZCTEOSA-N -1 3 366.483 2.873 20 30 FFEDHM CCOc1cc(CN=Nc2ccc(-n3cccn3)nn2)cc(Cl)c1[O-] ZINC000915972039 737668530 /nfs/dbraw/zinc/66/85/30/737668530.db2.gz AFNUUJIWMIQKTE-UHFFFAOYSA-N -1 3 358.789 2.866 20 30 FFEDHM CC(=NNC(=S)NCc1ccc2c(c1)OCO2)c1cc(F)ccc1[O-] ZINC000916284312 737693033 /nfs/dbraw/zinc/69/30/33/737693033.db2.gz WVNLWHPLHLPDNS-UHFFFAOYSA-N -1 3 361.398 2.648 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC#Cc2cccc(Cl)c2)cc1 ZINC000773111959 737872212 /nfs/dbraw/zinc/87/22/12/737872212.db2.gz JJIKTRABKZTTSK-UHFFFAOYSA-N -1 3 363.822 2.920 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cccc3cc[nH]c32)cc1 ZINC000814822323 741868105 /nfs/dbraw/zinc/86/81/05/741868105.db2.gz LWLFTYPSDKEDKO-UHFFFAOYSA-N -1 3 358.379 2.530 20 30 FFEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCCC(C)(C)C#N)ccc1F ZINC000776373397 738188279 /nfs/dbraw/zinc/18/82/79/738188279.db2.gz PAKAYCKYVSTGBV-UHFFFAOYSA-N -1 3 356.419 2.609 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000777818027 738322979 /nfs/dbraw/zinc/32/29/79/738322979.db2.gz CWCSVKCUBAGDPH-JTQLQIEISA-N -1 3 368.846 2.920 20 30 FFEDHM COC(=O)c1cnc(SCc2c(C#N)c(C)nn2-c2ccccc2)[n-]1 ZINC000788509234 739252446 /nfs/dbraw/zinc/25/24/46/739252446.db2.gz ODTISDFRMMIXEK-UHFFFAOYSA-N -1 3 353.407 2.854 20 30 FFEDHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C1(C#N)CCN(C)CC1 ZINC000932177692 739398940 /nfs/dbraw/zinc/39/89/40/739398940.db2.gz CPCGBWMJGMDBGH-UHFFFAOYSA-N -1 3 357.788 2.545 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000797841035 740279184 /nfs/dbraw/zinc/27/91/84/740279184.db2.gz HRIHAAMDEUUQKH-SKDRFNHKSA-N -1 3 351.255 2.648 20 30 FFEDHM CCCC1N=NC(=S)N1N=Cc1ccc(OC)c([O-])c1Br ZINC000808008261 741177329 /nfs/dbraw/zinc/17/73/29/741177329.db2.gz CDUVZPPYYVNBIP-UHFFFAOYSA-N -1 3 371.260 2.878 20 30 FFEDHM C[C@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1Cl ZINC000811188402 741491898 /nfs/dbraw/zinc/49/18/98/741491898.db2.gz IRFXJHGXARUPNJ-NSHDSACASA-N -1 3 358.781 2.951 20 30 FFEDHM CCc1cnc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)s1 ZINC000814741578 741861116 /nfs/dbraw/zinc/86/11/16/741861116.db2.gz HMDAUWHQWTUYQK-ZDUSSCGKSA-N -1 3 373.463 2.980 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC(C)(C)C2CC2)ccc1F ZINC000819149304 742344233 /nfs/dbraw/zinc/34/42/33/742344233.db2.gz GKFGZOGYWCBTNU-UHFFFAOYSA-N -1 3 368.474 2.846 20 30 FFEDHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)co1 ZINC000832472641 745704547 /nfs/dbraw/zinc/70/45/47/745704547.db2.gz CXKUJZGLYUZGNU-UHFFFAOYSA-N -1 3 359.329 2.606 20 30 FFEDHM CC(C)[C@@H](CO)ON=C([O-])Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000836230291 746170392 /nfs/dbraw/zinc/17/03/92/746170392.db2.gz MTXHTENWJUKCOV-OAHLLOKOSA-N -1 3 360.439 2.676 20 30 FFEDHM CC(C)[C@@H](CO)O[N-]C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000836230291 746170395 /nfs/dbraw/zinc/17/03/95/746170395.db2.gz MTXHTENWJUKCOV-OAHLLOKOSA-N -1 3 360.439 2.676 20 30 FFEDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2cc(C#N)ccc21 ZINC000841573447 747410110 /nfs/dbraw/zinc/41/01/10/747410110.db2.gz XODWPSCAXIYFFS-AWEZNQCLSA-N -1 3 364.858 2.610 20 30 FFEDHM Cc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(Sc2ccccc2)n1 ZINC000848136052 748851014 /nfs/dbraw/zinc/85/10/14/748851014.db2.gz LEWMATHHGDXJRE-OAHLLOKOSA-N -1 3 357.435 2.651 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000848695190 748987617 /nfs/dbraw/zinc/98/76/17/748987617.db2.gz WYEQOSMTFIPGPR-GTNSWQLSSA-N -1 3 368.430 2.672 20 30 FFEDHM C=C(C)CN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000045906290 845100168 /nfs/dbraw/zinc/10/01/68/845100168.db2.gz SVHFUYNCJXUDGD-UHFFFAOYSA-N -1 3 356.463 2.941 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC000737708517 945114992 /nfs/dbraw/zinc/11/49/92/945114992.db2.gz GTAHLJMUYAZLIQ-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC000737708517 945114994 /nfs/dbraw/zinc/11/49/94/945114994.db2.gz GTAHLJMUYAZLIQ-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000908945082 939360115 /nfs/dbraw/zinc/36/01/15/939360115.db2.gz AGSGAIHENGLJTA-SFHVURJKSA-N -1 3 359.470 2.769 20 30 FFEDHM COc1ccc(CCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737089710 944956890 /nfs/dbraw/zinc/95/68/90/944956890.db2.gz WIKKJIDUNUHNJF-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM COc1ccc(CCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737089710 944956895 /nfs/dbraw/zinc/95/68/95/944956895.db2.gz WIKKJIDUNUHNJF-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM C#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1OC ZINC000823856448 946494784 /nfs/dbraw/zinc/49/47/84/946494784.db2.gz RSNBBQOOXYTAGG-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM C#CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1OC ZINC000823856448 946494787 /nfs/dbraw/zinc/49/47/87/946494787.db2.gz RSNBBQOOXYTAGG-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM C=C(C)CCC(=O)NCCCN(c1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573293681 946965555 /nfs/dbraw/zinc/96/55/55/946965555.db2.gz GDMRDEXXQICFFB-UHFFFAOYSA-N -1 3 371.489 2.648 20 30 FFEDHM C=C(C)CCC(=O)NCCCN(c1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573293681 946965564 /nfs/dbraw/zinc/96/55/64/946965564.db2.gz GDMRDEXXQICFFB-UHFFFAOYSA-N -1 3 371.489 2.648 20 30 FFEDHM C=C1CC(C)(C(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573295991 947035316 /nfs/dbraw/zinc/03/53/16/947035316.db2.gz ISKNRSIPWXFQJC-JOCQHMNTSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573295991 947035327 /nfs/dbraw/zinc/03/53/27/947035327.db2.gz ISKNRSIPWXFQJC-JOCQHMNTSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573297729 947065724 /nfs/dbraw/zinc/06/57/24/947065724.db2.gz KSRFYKSPYAMQED-CYBMUJFWSA-N -1 3 370.432 2.765 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573297729 947065737 /nfs/dbraw/zinc/06/57/37/947065737.db2.gz KSRFYKSPYAMQED-CYBMUJFWSA-N -1 3 370.432 2.765 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573306824 947175387 /nfs/dbraw/zinc/17/53/87/947175387.db2.gz NJSPKAOEOYOTDQ-BZNIZROVSA-N -1 3 363.491 2.541 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573315984 947263976 /nfs/dbraw/zinc/26/39/76/947263976.db2.gz RNFPXYXMTWYBQW-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573315984 947263988 /nfs/dbraw/zinc/26/39/88/947263988.db2.gz RNFPXYXMTWYBQW-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573329636 947423379 /nfs/dbraw/zinc/42/33/79/947423379.db2.gz MLVBBDWRYCFBGY-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573329636 947423385 /nfs/dbraw/zinc/42/33/85/947423385.db2.gz MLVBBDWRYCFBGY-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCC(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573329787 947426134 /nfs/dbraw/zinc/42/61/34/947426134.db2.gz PHMWDFWVPLZPTM-OAHLLOKOSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCC(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573329787 947426147 /nfs/dbraw/zinc/42/61/47/947426147.db2.gz PHMWDFWVPLZPTM-OAHLLOKOSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCOc1ccc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001573348317 947581028 /nfs/dbraw/zinc/58/10/28/947581028.db2.gz PFHWLUBGPMGWDC-UHFFFAOYSA-N -1 3 353.357 2.752 20 30 FFEDHM C=CCOc1ccc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001573348317 947581033 /nfs/dbraw/zinc/58/10/33/947581033.db2.gz PFHWLUBGPMGWDC-UHFFFAOYSA-N -1 3 353.357 2.752 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(C)(C)CC1 ZINC001573348312 947582242 /nfs/dbraw/zinc/58/22/42/947582242.db2.gz PDCIMYBAQQXXCL-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(C)(C)CC1 ZINC001573348312 947582252 /nfs/dbraw/zinc/58/22/52/947582252.db2.gz PDCIMYBAQQXXCL-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001573348756 947587816 /nfs/dbraw/zinc/58/78/16/947587816.db2.gz VDXVXJSXEOJPEM-CHWSQXEVSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001573348756 947587828 /nfs/dbraw/zinc/58/78/28/947587828.db2.gz VDXVXJSXEOJPEM-CHWSQXEVSA-N -1 3 350.430 2.546 20 30 FFEDHM C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)C[C@@H]2C1 ZINC001088031978 971944628 /nfs/dbraw/zinc/94/46/28/971944628.db2.gz UVPNLRYLZMNCBP-CABCVRRESA-N -1 3 371.868 2.675 20 30 FFEDHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001593757252 954467726 /nfs/dbraw/zinc/46/77/26/954467726.db2.gz XDPDFPZVGOTOSV-XLIONFOSSA-N -1 3 357.454 2.504 20 30 FFEDHM COC(=O)[C@@H]1CO[C@H](CCC(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904173744 980206410 /nfs/dbraw/zinc/20/64/10/980206410.db2.gz UMVJAICBPGSVMO-DLBZAZTESA-N -1 3 357.406 2.916 20 30 FFEDHM N#Cc1cccc(OC2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)c1 ZINC000436567958 980252760 /nfs/dbraw/zinc/25/27/60/980252760.db2.gz QBAXCLNJPFICJO-UHFFFAOYSA-N -1 3 366.373 2.676 20 30 FFEDHM N#C[C@]1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC2CCC1CC2 ZINC000908285937 981406795 /nfs/dbraw/zinc/40/67/95/981406795.db2.gz WTKJPHWNUQMIIT-NHMAURGWSA-N -1 3 371.403 2.624 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])CC1 ZINC000908946184 981575000 /nfs/dbraw/zinc/57/50/00/981575000.db2.gz OPLFDUMQOAWWEB-MRXNPFEDSA-N -1 3 359.470 2.712 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])CC1 ZINC000908946183 981575242 /nfs/dbraw/zinc/57/52/42/981575242.db2.gz OPLFDUMQOAWWEB-INIZCTEOSA-N -1 3 359.470 2.712 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000909067397 981615016 /nfs/dbraw/zinc/61/50/16/981615016.db2.gz LRWIODKXASUMQS-NJAFHUGGSA-N -1 3 359.470 2.616 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000174535380 985216599 /nfs/dbraw/zinc/21/65/99/985216599.db2.gz CPJMIUHEINGFDX-QGZVFWFLSA-N -1 3 371.481 2.746 20 30 FFEDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCCC1(C#N)CCOCC1 ZINC001594568745 986373813 /nfs/dbraw/zinc/37/38/13/986373813.db2.gz KLUKTZRUVYNSBL-QGZVFWFLSA-N -1 3 371.481 2.996 20 30 FFEDHM O=C1Nc2cc3c(cc2C1=N[N-]c1ncccc1C(F)(F)F)OCCO3 ZINC000915050420 988172943 /nfs/dbraw/zinc/17/29/43/988172943.db2.gz OYLOKTAZPRMXBJ-UHFFFAOYSA-N -1 3 364.283 2.640 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000127685714 1015499822 /nfs/dbraw/zinc/49/98/22/1015499822.db2.gz NHZDWJJIUPOHCH-GFCCVEGCSA-N -1 3 365.780 2.882 20 30 FFEDHM CN(Cc1ccccc1NC(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000879422219 1015524425 /nfs/dbraw/zinc/52/44/25/1015524425.db2.gz WOYNYAIKGFGGLW-SFHVURJKSA-N -1 3 368.437 2.825 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cn(-c2ccccc2)nn1 ZINC000916884740 990009891 /nfs/dbraw/zinc/00/98/91/990009891.db2.gz ZTCKWHJMVZJFFN-OAHLLOKOSA-N -1 3 365.780 2.882 20 30 FFEDHM Cc1cc2ncc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(C)n2n1 ZINC000916883820 990010193 /nfs/dbraw/zinc/01/01/93/990010193.db2.gz UYHGQRSNZBPVRK-AWEZNQCLSA-N -1 3 367.796 2.961 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(CC#N)c3ccccc3)n[n-]2)o1 ZINC000919328496 990616223 /nfs/dbraw/zinc/61/62/23/990616223.db2.gz DJPXCLBZGZWYDV-UHFFFAOYSA-N -1 3 364.361 2.692 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)N(CC#N)c3ccccc3)[n-]n2)o1 ZINC000919328496 990616226 /nfs/dbraw/zinc/61/62/26/990616226.db2.gz DJPXCLBZGZWYDV-UHFFFAOYSA-N -1 3 364.361 2.692 20 30 FFEDHM CCCC(C)=CC([O-])=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000920323235 990834738 /nfs/dbraw/zinc/83/47/38/990834738.db2.gz HAUKCCMSYZVVAR-RDQDRAATSA-N -1 3 373.365 2.760 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3nnc(-c4ccccc4[O-])o3)CC2)cc1 ZINC000879587134 1015598071 /nfs/dbraw/zinc/59/80/71/1015598071.db2.gz KEPUQSFRYUCXNI-UHFFFAOYSA-N -1 3 361.405 2.636 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000920990805 990944806 /nfs/dbraw/zinc/94/48/06/990944806.db2.gz DQBGFSWHFLJJPC-BBJIBYMTSA-N -1 3 363.458 2.796 20 30 FFEDHM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184923 995050929 /nfs/dbraw/zinc/05/09/29/995050929.db2.gz VSLOBUUQDSHTIA-ZIAGYGMSSA-N -1 3 352.390 2.995 20 30 FFEDHM C[C@@H](CNC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811187091 995051584 /nfs/dbraw/zinc/05/15/84/995051584.db2.gz JLMJVWYENAMZEM-KBPBESRZSA-N -1 3 352.390 2.729 20 30 FFEDHM Cc1ccc([C@@H](NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)C2CC2)cc1 ZINC000811188022 995051767 /nfs/dbraw/zinc/05/17/67/995051767.db2.gz SUPUMIDSEIXAGK-HXUWFJFHSA-N -1 3 364.401 2.997 20 30 FFEDHM C=C(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001144395572 998477872 /nfs/dbraw/zinc/47/78/72/998477872.db2.gz FNOCYVSMVVUWOY-INIZCTEOSA-N -1 3 358.438 2.828 20 30 FFEDHM C[C@@H](NC(=O)c1cccs1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845837605 998670258 /nfs/dbraw/zinc/67/02/58/998670258.db2.gz BCYPNEYTVJCQQZ-UKRRQHHQSA-N -1 3 366.442 2.876 20 30 FFEDHM C[C@H](OC[C@@H]1CCCCO1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845839838 998671728 /nfs/dbraw/zinc/67/17/28/998671728.db2.gz XJLRZWWOTCSEQV-RYQLBKOJSA-N -1 3 355.434 2.970 20 30 FFEDHM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594291534 999123931 /nfs/dbraw/zinc/12/39/31/999123931.db2.gz JHKNYWFYHMNBML-ZEVUXNIQSA-N -1 3 363.502 2.883 20 30 FFEDHM Cc1nc(C)c(CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(=O)[n-]1 ZINC000734082990 999197821 /nfs/dbraw/zinc/19/78/21/999197821.db2.gz KEIQMJFTUIAWEA-AWEZNQCLSA-N -1 3 365.418 2.737 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)c1ccc(C#N)cc1 ZINC000740217571 999664560 /nfs/dbraw/zinc/66/45/60/999664560.db2.gz KCAJAOPAYJEAGF-QGZVFWFLSA-N -1 3 365.345 2.921 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)c1ccc(C#N)cc1 ZINC000740217571 999664562 /nfs/dbraw/zinc/66/45/62/999664562.db2.gz KCAJAOPAYJEAGF-QGZVFWFLSA-N -1 3 365.345 2.921 20 30 FFEDHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)nn1 ZINC000766621882 1000031683 /nfs/dbraw/zinc/03/16/83/1000031683.db2.gz BJDFLEZYCRSBHX-OAHLLOKOSA-N -1 3 353.426 2.774 20 30 FFEDHM COC(=O)[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccsc1 ZINC000788903272 1001915152 /nfs/dbraw/zinc/91/51/52/1001915152.db2.gz HDDJGZRRVYOINZ-INIZCTEOSA-N -1 3 374.418 2.727 20 30 FFEDHM COc1ccccc1-n1cnc2cc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)ccc21 ZINC001171370536 1002042845 /nfs/dbraw/zinc/04/28/45/1002042845.db2.gz WYOIWEBGXJNERY-SGTLLEGYSA-N -1 3 352.394 2.682 20 30 FFEDHM COc1c([O-])c(CN=Nc2oc(CC(C)C)nc2C#N)ccc1[N+](=O)[O-] ZINC000773053498 1002537875 /nfs/dbraw/zinc/53/78/75/1002537875.db2.gz FPTJSYJIFYVSLO-UHFFFAOYSA-N -1 3 359.342 2.813 20 30 FFEDHM CCCCCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185621643 1003018259 /nfs/dbraw/zinc/01/82/59/1003018259.db2.gz BTIAKSQQFGKUOS-UHFFFAOYSA-N -1 3 351.476 2.896 20 30 FFEDHM CCCCCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185621643 1003018270 /nfs/dbraw/zinc/01/82/70/1003018270.db2.gz BTIAKSQQFGKUOS-UHFFFAOYSA-N -1 3 351.476 2.896 20 30 FFEDHM C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001092492616 1003068205 /nfs/dbraw/zinc/06/82/05/1003068205.db2.gz VUGQCEVECLZVMT-HUUCEWRRSA-N -1 3 350.422 2.551 20 30 FFEDHM Cc1nsc(N2C[C@@H](C)[C@H](CCNC(=O)c3ccccc3[O-])C2)c1C#N ZINC001092492660 1003068658 /nfs/dbraw/zinc/06/86/58/1003068658.db2.gz WXEJZIKXGOQMJD-TZMCWYRMSA-N -1 3 370.478 2.921 20 30 FFEDHM CCc1cc(C(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)ccc1C#N ZINC001197281575 1004161598 /nfs/dbraw/zinc/16/15/98/1004161598.db2.gz IHALJQVAKDUVGL-INIZCTEOSA-N -1 3 371.437 2.777 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)[n-]1 ZINC001197387571 1004187264 /nfs/dbraw/zinc/18/72/64/1004187264.db2.gz LWAVUHOQADLVDL-UHFFFAOYSA-N -1 3 350.334 2.970 20 30 FFEDHM N#Cc1ccc2c(c1)CCN(C(=O)c1ccc(Br)c(=O)[n-]1)C2 ZINC001193143793 1004389145 /nfs/dbraw/zinc/38/91/45/1004389145.db2.gz DUEVSHXPSORFJP-UHFFFAOYSA-N -1 3 358.195 2.620 20 30 FFEDHM NC(=NC(=O)c1ccc(Br)c(=O)[n-]1)c1ccc2ccccc2n1 ZINC001193162687 1004395640 /nfs/dbraw/zinc/39/56/40/1004395640.db2.gz KRBDVGVJFZJNRQ-UHFFFAOYSA-N -1 3 371.194 2.644 20 30 FFEDHM CCN1CCN(c2ccc(NC(=O)c3ccc([O-])c(C#N)c3)cc2F)CC1 ZINC001193504427 1004505411 /nfs/dbraw/zinc/50/54/11/1004505411.db2.gz DIILEMPTLNUPGN-UHFFFAOYSA-N -1 3 368.412 2.797 20 30 FFEDHM Cc1cc(C#N)c(NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)s1 ZINC001194960588 1004854577 /nfs/dbraw/zinc/85/45/77/1004854577.db2.gz PNTKTRAFVLOASR-UHFFFAOYSA-N -1 3 353.400 2.691 20 30 FFEDHM COc1ccccc1-c1ncc(C(=O)N([O-])C(=N)c2ccccc2N)cn1 ZINC001199326570 1004911002 /nfs/dbraw/zinc/91/10/02/1004911002.db2.gz PCMBOZIWNIUVPO-UHFFFAOYSA-N -1 3 363.377 2.591 20 30 FFEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2C#N)C2CCC2)cc1 ZINC001195622260 1005001402 /nfs/dbraw/zinc/00/14/02/1005001402.db2.gz VDKSZLKIFSKMIY-GOSISDBHSA-N -1 3 357.435 2.782 20 30 FFEDHM N#Cc1ccc(NC(=S)Nc2cnc[n-]c2=O)c(Br)c1 ZINC001201116692 1005169828 /nfs/dbraw/zinc/16/98/28/1005169828.db2.gz NNWVLLAYXFWGND-UHFFFAOYSA-N -1 3 350.201 2.625 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121569346 1005192858 /nfs/dbraw/zinc/19/28/58/1005192858.db2.gz ATVZDPOLDLLFIS-AWEZNQCLSA-N -1 3 352.394 2.968 20 30 FFEDHM CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273402 1005340489 /nfs/dbraw/zinc/34/04/89/1005340489.db2.gz GANCIEWSCRGNLG-UHFFFAOYSA-N -1 3 352.390 2.858 20 30 FFEDHM COCc1csc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000850764834 1005838088 /nfs/dbraw/zinc/83/80/88/1005838088.db2.gz GEBLCTULCLGNIF-CYBMUJFWSA-N -1 3 372.402 2.627 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000852428628 1006020463 /nfs/dbraw/zinc/02/04/63/1006020463.db2.gz QJCBQNYYEBWCMO-UHFFFAOYSA-N -1 3 367.405 2.859 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-][C@H](C(=O)OCC)C1CCOCC1 ZINC001188029592 1006387233 /nfs/dbraw/zinc/38/72/33/1006387233.db2.gz VHINAQWYVRSUID-INIZCTEOSA-N -1 3 363.520 2.625 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ncn(-c3ccccc3)n2)cc1 ZINC000131212279 1006702864 /nfs/dbraw/zinc/70/28/64/1006702864.db2.gz JQGXNWPOFNWGCG-QGZVFWFLSA-N -1 3 359.389 2.791 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)ccc1C#N ZINC001189316139 1007018289 /nfs/dbraw/zinc/01/82/89/1007018289.db2.gz JDJXPWHBVZAYLR-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1cccc3c1CCOC3)[n-]c2=O ZINC000884430047 1007434369 /nfs/dbraw/zinc/43/43/69/1007434369.db2.gz CMOIRTKNEBIPKP-UHFFFAOYSA-N -1 3 366.425 2.806 20 30 FFEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccccc3CC#N)cc2)n1 ZINC000776855561 1007663397 /nfs/dbraw/zinc/66/33/97/1007663397.db2.gz PPRXANMVPXDRTK-UHFFFAOYSA-N -1 3 358.401 2.993 20 30 FFEDHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190616508 1007703981 /nfs/dbraw/zinc/70/39/81/1007703981.db2.gz UEEDLEDQYMEVIO-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC001190766200 1007773016 /nfs/dbraw/zinc/77/30/16/1007773016.db2.gz HHKCXXVSJLAVRM-INIZCTEOSA-N -1 3 365.495 2.968 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001179485507 1009349717 /nfs/dbraw/zinc/34/97/17/1009349717.db2.gz QBVWQOBORHRKCC-IFXJQAMLSA-N -1 3 357.410 2.849 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])c(C)c(F)c1)CC2 ZINC001274115468 1009417688 /nfs/dbraw/zinc/41/76/88/1009417688.db2.gz HCYAAAZNAUNWAW-HNNXBMFYSA-N -1 3 360.429 2.774 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](O)c2ccccc21 ZINC000889253171 1009889435 /nfs/dbraw/zinc/88/94/35/1009889435.db2.gz OJPRRIFIVGAHIA-GOSISDBHSA-N -1 3 351.406 2.679 20 30 FFEDHM N#Cc1cc(CC(=O)Nc2ncc([O-])cc2Br)ccc1F ZINC001181172917 1010002002 /nfs/dbraw/zinc/00/20/02/1010002002.db2.gz UIGWDUWHPLKOPJ-UHFFFAOYSA-N -1 3 350.147 2.742 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CCCCN2CC)c(C)c1[O-] ZINC001181999485 1010338632 /nfs/dbraw/zinc/33/86/32/1010338632.db2.gz ZVBBTIDVQCFNJB-HNNXBMFYSA-N -1 3 359.426 2.562 20 30 FFEDHM C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cccc(C#N)c1[O-] ZINC000866356932 1010983205 /nfs/dbraw/zinc/98/32/05/1010983205.db2.gz BAYFAWGGZDELQT-HUUCEWRRSA-N -1 3 353.422 2.925 20 30 FFEDHM C=C(C)CN1C[C@@]2(F)CN(Cc3cc(Cl)ccc3[O-])C[C@@]2(F)C1=O ZINC001275254332 1012144133 /nfs/dbraw/zinc/14/41/33/1012144133.db2.gz OPJDCHWNVQPONP-DLBZAZTESA-N -1 3 356.800 2.696 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cncc(N2CCCC2)n1 ZINC000870137131 1012181099 /nfs/dbraw/zinc/18/10/99/1012181099.db2.gz WYHHTVYIJKCPTE-AWEZNQCLSA-N -1 3 369.812 2.691 20 30 FFEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1ccccc1OC(F)(F)F ZINC000123060810 1012314776 /nfs/dbraw/zinc/31/47/76/1012314776.db2.gz FJOVMMLVLVXKOI-SYTKJHMZSA-N -1 3 363.295 2.924 20 30 FFEDHM C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3cc(F)c([O-])c(F)c3)C2)C1=O ZINC001275430743 1012449667 /nfs/dbraw/zinc/44/96/67/1012449667.db2.gz KOABAGWYBSKQDU-IBGZPJMESA-N -1 3 364.392 2.588 20 30 FFEDHM Cc1ccc(C(=O)/C=C/C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001137599039 1032670110 /nfs/dbraw/zinc/67/01/10/1032670110.db2.gz ZBNYLCJFKHACFU-VNDWYCCKSA-N -1 3 362.426 2.695 20 30 FFEDHM Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccccc3[O-])C2)c(C#N)cn1 ZINC001055491182 1017594750 /nfs/dbraw/zinc/59/47/50/1017594750.db2.gz HIBPFPAFYPPAHQ-KKSFZXQISA-N -1 3 362.433 2.756 20 30 FFEDHM O=C(CN1C(=O)c2ccccc2C1=O)N([O-])Cc1cccc2ccccc21 ZINC000901368085 1019011175 /nfs/dbraw/zinc/01/11/75/1019011175.db2.gz RTROKHNOEJNWBX-UHFFFAOYSA-N -1 3 360.369 2.854 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)OCC)n[n-]2)cc1OC ZINC000777836342 1019677579 /nfs/dbraw/zinc/67/75/79/1019677579.db2.gz IVFZGFYNOXZNKR-CLFYSBASSA-N -1 3 371.393 2.812 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)OCC)[n-]n2)cc1OC ZINC000777836342 1019677590 /nfs/dbraw/zinc/67/75/90/1019677590.db2.gz IVFZGFYNOXZNKR-CLFYSBASSA-N -1 3 371.393 2.812 20 30 FFEDHM C=CCCc1ccccc1NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000931290944 1020406259 /nfs/dbraw/zinc/40/62/59/1020406259.db2.gz IHDQKEDPRNLUOL-HNNXBMFYSA-N -1 3 353.426 2.701 20 30 FFEDHM C#C[C@@H](C)Oc1ccc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000802810112 1020422583 /nfs/dbraw/zinc/42/25/83/1020422583.db2.gz WUGDNJVLGQEGMJ-CQSZACIVSA-N -1 3 373.430 2.816 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(COC3CCOCC3)cc2)c1[O-] ZINC000751524467 1022857116 /nfs/dbraw/zinc/85/71/16/1022857116.db2.gz UUUXUQYTTFVINT-UUYOSTAYSA-N -1 3 370.449 2.903 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(SC)c2)cc1OC ZINC000779196468 1023346286 /nfs/dbraw/zinc/34/62/86/1023346286.db2.gz DBPWGBWVDLVHOH-ZDUSSCGKSA-N -1 3 371.418 2.782 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC(Nc3nc(C)c(C#N)cc3Cl)CC2)n1 ZINC001120877062 1023506648 /nfs/dbraw/zinc/50/66/48/1023506648.db2.gz VSVYGFJNEPJBLS-UHFFFAOYSA-N -1 3 358.833 2.800 20 30 FFEDHM Cc1ccc(O)c(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000755540835 1023607878 /nfs/dbraw/zinc/60/78/78/1023607878.db2.gz ABVGDBGBFYJIDU-MRXNPFEDSA-N -1 3 368.418 2.976 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001121652627 1023905746 /nfs/dbraw/zinc/90/57/46/1023905746.db2.gz WGPUGKWOVGCHJM-OAHLLOKOSA-N -1 3 366.425 2.906 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1Cc1ccccc1 ZINC000193532044 1024560484 /nfs/dbraw/zinc/56/04/84/1024560484.db2.gz FCNKJAHGOSSCMD-INIZCTEOSA-N -1 3 359.389 2.596 20 30 FFEDHM CCOC(=O)n1nc2c(c1[N-]c1nccc(Cl)c1C#N)CNC2(C)C ZINC001159659978 1027459998 /nfs/dbraw/zinc/45/99/98/1027459998.db2.gz RBASVININSFOIQ-UHFFFAOYSA-N -1 3 360.805 2.890 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(F)ccc1Oc1ccc(Cl)nn1 ZINC001160176657 1027623910 /nfs/dbraw/zinc/62/39/10/1027623910.db2.gz YUTDVULHHCGHGZ-RTHLEPHNSA-N -1 3 352.753 2.709 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cnc(Cl)c(-c2ccncc2)c1 ZINC001160178041 1027626605 /nfs/dbraw/zinc/62/66/05/1027626605.db2.gz AYASNCFBKWTLML-ZANVPECISA-N -1 3 368.771 2.672 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc3ccc(Br)cn3n2)ccc1[O-] ZINC001153134863 1027782120 /nfs/dbraw/zinc/78/21/20/1027782120.db2.gz YTHUQLHXEKJHTA-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM N#Cc1cc(F)c(NC(=O)c2ccc3c(=O)[n-][nH]c(=O)c3c2)c(Cl)c1 ZINC001154318554 1028236913 /nfs/dbraw/zinc/23/69/13/1028236913.db2.gz JEPUEGSUSXCTLC-UHFFFAOYSA-N -1 3 358.716 2.957 20 30 FFEDHM N#Cc1cc(F)c(NC(=O)c2ccc3c(=O)[nH][n-]c(=O)c3c2)c(Cl)c1 ZINC001154318554 1028236921 /nfs/dbraw/zinc/23/69/21/1028236921.db2.gz JEPUEGSUSXCTLC-UHFFFAOYSA-N -1 3 358.716 2.957 20 30 FFEDHM C[C@@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1ccsc1 ZINC001161802086 1028318119 /nfs/dbraw/zinc/31/81/19/1028318119.db2.gz HCRGHBGDGHXDKS-GFCCVEGCSA-N -1 3 358.419 2.756 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCC[C@H]2CCNCC2(F)F)n1 ZINC001162809716 1028663971 /nfs/dbraw/zinc/66/39/71/1028663971.db2.gz DGDSTKZAIPFGTC-GWEZJUCKSA-N -1 3 365.837 2.707 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(=O)[C@H]3CCCC[C@@H]32)n1 ZINC001163791384 1029063240 /nfs/dbraw/zinc/06/32/40/1029063240.db2.gz RTFLZYJRXXMFOT-AMTBWNOLSA-N -1 3 354.863 2.998 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001157233472 1029513913 /nfs/dbraw/zinc/51/39/13/1029513913.db2.gz KELFUSIFSLGXHD-SECBINFHSA-N -1 3 370.331 2.888 20 30 FFEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nc1 ZINC000842686460 1030900189 /nfs/dbraw/zinc/90/01/89/1030900189.db2.gz NEMLMDBOZJPFCL-OAHLLOKOSA-N -1 3 365.389 2.998 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597616 1034753014 /nfs/dbraw/zinc/75/30/14/1034753014.db2.gz VMALLLFMKUWOEZ-JSGCOSHPSA-N -1 3 372.377 2.636 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227743783 1035710263 /nfs/dbraw/zinc/71/02/63/1035710263.db2.gz XYKJCZBCWIENNZ-HZMBPMFUSA-N -1 3 373.369 2.609 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227743783 1035710284 /nfs/dbraw/zinc/71/02/84/1035710284.db2.gz XYKJCZBCWIENNZ-HZMBPMFUSA-N -1 3 373.369 2.609 20 30 FFEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2ccc(OC)c([O-])c2Cl)C1 ZINC001233402470 1036600571 /nfs/dbraw/zinc/60/05/71/1036600571.db2.gz QONGTDZGWHAONO-ZDUSSCGKSA-N -1 3 354.834 2.931 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc([O-])cc(C#N)c2)[C@H]2OCCC[C@H]21 ZINC001234142893 1036937680 /nfs/dbraw/zinc/93/76/80/1036937680.db2.gz YFRONBPHUMOYNN-IKGGRYGDSA-N -1 3 360.410 2.810 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231073070 1037455654 /nfs/dbraw/zinc/45/56/54/1037455654.db2.gz IODHJVAOCUNIHF-OAHLLOKOSA-N -1 3 357.414 2.811 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231073015 1037456890 /nfs/dbraw/zinc/45/68/90/1037456890.db2.gz IODHJVAOCUNIHF-HNNXBMFYSA-N -1 3 357.414 2.811 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450928 1037593044 /nfs/dbraw/zinc/59/30/44/1037593044.db2.gz UWPUNFOJBWYVHX-ICSRJNTNSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450928 1037593059 /nfs/dbraw/zinc/59/30/59/1037593059.db2.gz UWPUNFOJBWYVHX-ICSRJNTNSA-N -1 3 361.438 2.664 20 30 FFEDHM C#CCN1CC[C@]2(CCCN2Cc2c([O-])ccc(Cl)c2Cl)C1=O ZINC001277992289 1038168377 /nfs/dbraw/zinc/16/83/77/1038168377.db2.gz GQZNUNATPAPNFS-QGZVFWFLSA-N -1 3 353.249 2.899 20 30 FFEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001276567468 1038236017 /nfs/dbraw/zinc/23/60/17/1038236017.db2.gz ZTFHSUASDOXPFR-AWEZNQCLSA-N -1 3 363.408 2.692 20 30 FFEDHM Cc1c([N-]c2nc(C#N)c(C#N)nc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211292388 1040066979 /nfs/dbraw/zinc/06/69/79/1040066979.db2.gz ZRHVWAHUCTVBPP-UHFFFAOYSA-N -1 3 359.689 2.742 20 30 FFEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC001260834398 1040837237 /nfs/dbraw/zinc/83/72/37/1040837237.db2.gz QFRRCLVDVCPUEB-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM N#Cc1cc(CN[C@@H](CCC(=O)OCc2ccccc2)C(=O)[O-])cs1 ZINC001262383549 1041668388 /nfs/dbraw/zinc/66/83/88/1041668388.db2.gz CLCVYEJSVHEVHI-INIZCTEOSA-N -1 3 358.419 2.686 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001264716836 1042798780 /nfs/dbraw/zinc/79/87/80/1042798780.db2.gz ZPDQYXFQWLNLBH-CPUCHLNUSA-N -1 3 358.486 2.741 20 30 FFEDHM CCOC(=O)CN(CCC#N)Cc1cc(Br)c(C)cc1[O-] ZINC001237685868 1043312455 /nfs/dbraw/zinc/31/24/55/1043312455.db2.gz RKXZKGKDMDRUAJ-UHFFFAOYSA-N -1 3 355.232 2.742 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)OCC ZINC001309506755 1043413412 /nfs/dbraw/zinc/41/34/12/1043413412.db2.gz HCSHGLHYIWZTDJ-JTQLQIEISA-N -1 3 351.877 2.886 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)c1ccc(F)cc1 ZINC001309523584 1043420524 /nfs/dbraw/zinc/42/05/24/1043420524.db2.gz JHHUDWKVQKMGNN-LBPRGKRZSA-N -1 3 371.773 2.512 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C2 ZINC001309789647 1043527668 /nfs/dbraw/zinc/52/76/68/1043527668.db2.gz LLCVNFQWEPDUAZ-GFCCVEGCSA-N -1 3 368.245 2.706 20 30 FFEDHM CC(C)CCOc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1F ZINC001310937907 1043769124 /nfs/dbraw/zinc/76/91/24/1043769124.db2.gz RNEZSFPBUQWBKG-CQSZACIVSA-N -1 3 353.394 2.752 20 30 FFEDHM Nc1cnnc([N-]N=C2c3ccc(Cl)c(Cl)c3NC2=O)c1Cl ZINC001319278067 1045094867 /nfs/dbraw/zinc/09/48/67/1045094867.db2.gz KMDFRKRFEJFWLA-UHFFFAOYSA-N -1 3 357.588 2.787 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001320068755 1045342185 /nfs/dbraw/zinc/34/21/85/1045342185.db2.gz RGQLHLAUMYHKOE-GFCCVEGCSA-N -1 3 357.451 2.741 20 30 FFEDHM C#CC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCCC1 ZINC001288258457 1047435342 /nfs/dbraw/zinc/43/53/42/1047435342.db2.gz ALWMHRSVYXORAY-UHFFFAOYSA-N -1 3 366.458 2.578 20 30 FFEDHM CCS(=O)(=O)Nc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001333207156 1048759265 /nfs/dbraw/zinc/75/92/65/1048759265.db2.gz XNFINSBRUJUREO-UHFFFAOYSA-N -1 3 352.387 2.619 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC)[C@H]2C)ccc1F ZINC001296701316 1050083514 /nfs/dbraw/zinc/08/35/14/1050083514.db2.gz NIWTVJCPTSQXEL-CHWSQXEVSA-N -1 3 354.447 2.551 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1csc(CC)n1 ZINC001339855124 1050272101 /nfs/dbraw/zinc/27/21/01/1050272101.db2.gz OEEYQEKHNFYCLT-UHFFFAOYSA-N -1 3 371.470 2.590 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001298086209 1050374873 /nfs/dbraw/zinc/37/48/73/1050374873.db2.gz OIUCBMVLZXWGQZ-HXUWFJFHSA-N -1 3 365.389 2.524 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001298427361 1050441239 /nfs/dbraw/zinc/44/12/39/1050441239.db2.gz USEZWGUIAAJAPC-JTQLQIEISA-N -1 3 374.447 2.821 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)ccc2=O)cc1 ZINC001342049368 1050649479 /nfs/dbraw/zinc/64/94/79/1050649479.db2.gz PFBBGTYRUFXFDR-INIZCTEOSA-N -1 3 351.406 2.689 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001342088561 1050684352 /nfs/dbraw/zinc/68/43/52/1050684352.db2.gz PZMPLEVVQGNZMF-CABCVRRESA-N -1 3 373.457 2.858 20 30 FFEDHM C[C@@H](CC#N)N(C)c1nnc(-c2nnc(Cl)[n-]2)n1Cc1ccccc1 ZINC001342190011 1050782773 /nfs/dbraw/zinc/78/27/73/1050782773.db2.gz PSVBMUKQSDDFBH-NSHDSACASA-N -1 3 356.821 2.503 20 30 FFEDHM C[C@@H](CC#N)N(C)c1nnc(-c2n[n-]c(Cl)n2)n1Cc1ccccc1 ZINC001342190011 1050782786 /nfs/dbraw/zinc/78/27/86/1050782786.db2.gz PSVBMUKQSDDFBH-NSHDSACASA-N -1 3 356.821 2.503 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001340571882 1050958865 /nfs/dbraw/zinc/95/88/65/1050958865.db2.gz OVKGSZXABMUANP-LBPRGKRZSA-N -1 3 366.425 2.838 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001340714828 1051075557 /nfs/dbraw/zinc/07/55/57/1051075557.db2.gz DDNARUUTZOGZSF-HNNXBMFYSA-N -1 3 354.458 2.952 20 30 FFEDHM CCn1c(-c2c[n-]c3c(F)c(F)ccc3c2=O)nnc1N(C)C[C@@H](C)C#N ZINC001340870129 1051202120 /nfs/dbraw/zinc/20/21/20/1051202120.db2.gz PHWMGSOKACDNPV-JTQLQIEISA-N -1 3 372.379 2.681 20 30 FFEDHM CCn1c(-c2c[n-]c3c(F)cc(F)cc3c2=O)nnc1N(C)[C@H](C)CC#N ZINC001340983247 1051316857 /nfs/dbraw/zinc/31/68/57/1051316857.db2.gz FXOYPYWNBSODBV-SNVBAGLBSA-N -1 3 372.379 2.823 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H](COCC)C1 ZINC001343314375 1052155266 /nfs/dbraw/zinc/15/52/66/1052155266.db2.gz CRLVIXSGPKCCRH-GFCCVEGCSA-N -1 3 365.869 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H](COCC)C1 ZINC001343314375 1052155271 /nfs/dbraw/zinc/15/52/71/1052155271.db2.gz CRLVIXSGPKCCRH-GFCCVEGCSA-N -1 3 365.869 2.546 20 30 FFEDHM O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N([O-])CCCCc1ccccc1 ZINC001306896389 1052214676 /nfs/dbraw/zinc/21/46/76/1052214676.db2.gz VNDYYRAJCHTNCE-SFHVURJKSA-N -1 3 367.449 2.671 20 30 FFEDHM CCCCN([O-])C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001306897196 1052215364 /nfs/dbraw/zinc/21/53/64/1052215364.db2.gz CQNJKPVWAKTPJZ-CQSZACIVSA-N -1 3 369.259 2.958 20 30 FFEDHM CN(Cc1cc(C#N)cs1)c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001346075441 1052735085 /nfs/dbraw/zinc/73/50/85/1052735085.db2.gz CBSIDYNCGZCACB-UHFFFAOYSA-N -1 3 374.861 2.696 20 30 FFEDHM CN(Cc1cc(C#N)cs1)c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001346075441 1052735090 /nfs/dbraw/zinc/73/50/90/1052735090.db2.gz CBSIDYNCGZCACB-UHFFFAOYSA-N -1 3 374.861 2.696 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)nc2OC)cc1 ZINC001346249267 1052803999 /nfs/dbraw/zinc/80/39/99/1052803999.db2.gz WAKUGWDKJANVOZ-WFASDCNBSA-N -1 3 354.410 2.903 20 30 FFEDHM Cc1nc(-c2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc2)cc(=O)[n-]1 ZINC000609805748 1056423538 /nfs/dbraw/zinc/42/35/38/1056423538.db2.gz HYVJOLQNAMFXNQ-UHFFFAOYSA-N -1 3 363.381 2.912 20 30 FFEDHM C#CCN(C(=O)[C@@H]1C[C@H]1CCC)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001358763376 1056449740 /nfs/dbraw/zinc/44/97/40/1056449740.db2.gz ZXGWOZHBRGIRPL-VQIMIIECSA-N -1 3 368.477 2.895 20 30 FFEDHM CO[C@](C)(C/N=C/c1c([O-])c(C)ncc1CO)COCc1ccccc1 ZINC000849170717 1056788808 /nfs/dbraw/zinc/78/88/08/1056788808.db2.gz SYJTZCLZBSHGDA-WHEDMDOKSA-N -1 3 358.438 2.629 20 30 FFEDHM CC(C)COc1ccc(C2(C(=O)N[C@H]3CCCN([O-])C3=O)CCC2)cc1 ZINC000848139430 1059115702 /nfs/dbraw/zinc/11/57/02/1059115702.db2.gz VZZUHICPSVPJTI-KRWDZBQOSA-N -1 3 360.454 2.640 20 30 FFEDHM O=C(c1ccc(CN2CCOCC2)o1)N([O-])CCCCc1ccccc1 ZINC001458009821 1060490983 /nfs/dbraw/zinc/49/09/83/1060490983.db2.gz RPNQWQOAHXAHRS-UHFFFAOYSA-N -1 3 358.438 2.966 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCC(C)C)ccc1F ZINC001522897984 1062321664 /nfs/dbraw/zinc/32/16/64/1062321664.db2.gz AWIFWTPJCAZOFJ-UHFFFAOYSA-N -1 3 356.463 2.846 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001440675090 1063330936 /nfs/dbraw/zinc/33/09/36/1063330936.db2.gz QZHRFMVFWJDIIG-KRWDZBQOSA-N -1 3 350.422 2.534 20 30 FFEDHM CN(c1ccc(-c2nnn[n-]2)c(Br)c1F)[C@@H]1CCC[C@@H]1C#N ZINC001579266820 1078605501 /nfs/dbraw/zinc/60/55/01/1078605501.db2.gz ZJLXESMCYWWIAM-PSASIEDQSA-N -1 3 365.210 2.897 20 30 FFEDHM CN(c1ccc(-c2nn[n-]n2)c(Br)c1F)[C@@H]1CCC[C@@H]1C#N ZINC001579266820 1078605503 /nfs/dbraw/zinc/60/55/03/1078605503.db2.gz ZJLXESMCYWWIAM-PSASIEDQSA-N -1 3 365.210 2.897 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1cc(C#N)c(F)cc1F ZINC001580614408 1078838611 /nfs/dbraw/zinc/83/86/11/1078838611.db2.gz ZFZRMIFQWFQNKV-UHFFFAOYSA-N -1 3 368.347 2.815 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1cc(C#N)c(F)cc1F ZINC001580614408 1078838614 /nfs/dbraw/zinc/83/86/14/1078838614.db2.gz ZFZRMIFQWFQNKV-UHFFFAOYSA-N -1 3 368.347 2.815 20 30 FFEDHM Cc1cc(C#N)cnc1C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001580768798 1078857782 /nfs/dbraw/zinc/85/77/82/1078857782.db2.gz MNQDLOFGGYTBQQ-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1cc(C#N)cnc1C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001580768798 1078857783 /nfs/dbraw/zinc/85/77/83/1078857783.db2.gz MNQDLOFGGYTBQQ-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM N#CCc1ccc(NC(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)cc1 ZINC001581859794 1079008430 /nfs/dbraw/zinc/00/84/30/1079008430.db2.gz VWSYQIHVKQCASG-UHFFFAOYSA-N -1 3 354.320 2.663 20 30 FFEDHM N#CCc1ccc(NC(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)cc1 ZINC001581859794 1079008437 /nfs/dbraw/zinc/00/84/37/1079008437.db2.gz VWSYQIHVKQCASG-UHFFFAOYSA-N -1 3 354.320 2.663 20 30 FFEDHM N#CCc1ccsc1C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001581859430 1079008500 /nfs/dbraw/zinc/00/85/00/1079008500.db2.gz HLORPXGKVSCVBM-UHFFFAOYSA-N -1 3 350.407 2.587 20 30 FFEDHM N#CCc1ccsc1C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001581859430 1079008506 /nfs/dbraw/zinc/00/85/06/1079008506.db2.gz HLORPXGKVSCVBM-UHFFFAOYSA-N -1 3 350.407 2.587 20 30 FFEDHM N#Cc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC001581874821 1079013110 /nfs/dbraw/zinc/01/31/10/1079013110.db2.gz JKCLQYZNOLTOSR-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC001581874821 1079013118 /nfs/dbraw/zinc/01/31/18/1079013118.db2.gz JKCLQYZNOLTOSR-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1nc(F)ccc1OCc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001581878720 1079013171 /nfs/dbraw/zinc/01/31/71/1079013171.db2.gz YRULLGAQQDJDRD-UHFFFAOYSA-N -1 3 364.262 2.870 20 30 FFEDHM N#Cc1nc(F)ccc1OCc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001581878720 1079013182 /nfs/dbraw/zinc/01/31/82/1079013182.db2.gz YRULLGAQQDJDRD-UHFFFAOYSA-N -1 3 364.262 2.870 20 30 FFEDHM C=C1CCC(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001583094942 1079165750 /nfs/dbraw/zinc/16/57/50/1079165750.db2.gz SHAHKVYNPMUCCT-UHFFFAOYSA-N -1 3 362.904 2.542 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC001556750150 1075771696 /nfs/dbraw/zinc/77/16/96/1075771696.db2.gz ATNSYJKTZDZVIS-CQSZACIVSA-N -1 3 364.760 2.991 20 30 FFEDHM N#Cc1ccc(NCCNC(=O)c2ccc([O-])cc2)cc1Br ZINC001559072251 1076123187 /nfs/dbraw/zinc/12/31/87/1076123187.db2.gz VAHXYZPUTLSEGW-UHFFFAOYSA-N -1 3 360.211 2.868 20 30 FFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccn(CCC#N)n2)s1 ZINC001565864678 1076773073 /nfs/dbraw/zinc/77/30/73/1076773073.db2.gz BJARFFJULTUHQQ-UHFFFAOYSA-N -1 3 362.415 2.853 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001573893902 1077837979 /nfs/dbraw/zinc/83/79/79/1077837979.db2.gz BJHBHXHMCZODFV-UHFFFAOYSA-N -1 3 353.361 2.686 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001573893902 1077837983 /nfs/dbraw/zinc/83/79/83/1077837983.db2.gz BJHBHXHMCZODFV-UHFFFAOYSA-N -1 3 353.361 2.686 20 30 FFEDHM N#Cc1ccc(Br)c(CN[C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001574485438 1078000229 /nfs/dbraw/zinc/00/02/29/1078000229.db2.gz GSFNPCJNMVCDOM-HNNXBMFYSA-N -1 3 360.211 2.501 20 30 FFEDHM C#CC[C@@H](NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588334357 1079988518 /nfs/dbraw/zinc/98/85/18/1079988518.db2.gz UUHKFLDQEMJHEE-GOSISDBHSA-N -1 3 358.405 2.657 20 30 FFEDHM C#CC[C@@H](NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588334357 1079988526 /nfs/dbraw/zinc/98/85/26/1079988526.db2.gz UUHKFLDQEMJHEE-GOSISDBHSA-N -1 3 358.405 2.657 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588336454 1079989172 /nfs/dbraw/zinc/98/91/72/1079989172.db2.gz APOKHGSGOVUXBE-VIFPVBQESA-N -1 3 350.209 2.659 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588336454 1079989173 /nfs/dbraw/zinc/98/91/73/1079989173.db2.gz APOKHGSGOVUXBE-VIFPVBQESA-N -1 3 350.209 2.659 20 30 FFEDHM C#CCCCCCC(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588345220 1079990861 /nfs/dbraw/zinc/99/08/61/1079990861.db2.gz VOPLPDTVJGKLHQ-CQSZACIVSA-N -1 3 372.448 2.530 20 30 FFEDHM C#CCCCCCC(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588345220 1079990868 /nfs/dbraw/zinc/99/08/68/1079990868.db2.gz VOPLPDTVJGKLHQ-CQSZACIVSA-N -1 3 372.448 2.530 20 30 FFEDHM C#CCCCCNc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001588346037 1079990944 /nfs/dbraw/zinc/99/09/44/1079990944.db2.gz UDYQYPCNPKBMHB-UHFFFAOYSA-N -1 3 352.398 2.648 20 30 FFEDHM C#CCCCCNc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001588346037 1079990948 /nfs/dbraw/zinc/99/09/48/1079990948.db2.gz UDYQYPCNPKBMHB-UHFFFAOYSA-N -1 3 352.398 2.648 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588350588 1079991859 /nfs/dbraw/zinc/99/18/59/1079991859.db2.gz GNZYCGXMBUAPCX-UHFFFAOYSA-N -1 3 374.379 2.763 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588350588 1079991864 /nfs/dbraw/zinc/99/18/64/1079991864.db2.gz GNZYCGXMBUAPCX-UHFFFAOYSA-N -1 3 374.379 2.763 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588360587 1079991934 /nfs/dbraw/zinc/99/19/34/1079991934.db2.gz RIDRMNWYBPHVPM-CYBMUJFWSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588360587 1079991940 /nfs/dbraw/zinc/99/19/40/1079991940.db2.gz RIDRMNWYBPHVPM-CYBMUJFWSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588351621 1079992530 /nfs/dbraw/zinc/99/25/30/1079992530.db2.gz BAOPHPDLZQSOSX-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588351621 1079992536 /nfs/dbraw/zinc/99/25/36/1079992536.db2.gz BAOPHPDLZQSOSX-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM C#CCOc1ccc(NC(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588361762 1079994183 /nfs/dbraw/zinc/99/41/83/1079994183.db2.gz ITTXQMJEYRSOOU-CQSZACIVSA-N -1 3 361.405 2.696 20 30 FFEDHM C#CCOc1ccc(NC(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588361762 1079994185 /nfs/dbraw/zinc/99/41/85/1079994185.db2.gz ITTXQMJEYRSOOU-CQSZACIVSA-N -1 3 361.405 2.696 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588365504 1079995026 /nfs/dbraw/zinc/99/50/26/1079995026.db2.gz VXLRCMOMNXUNMG-SAZUREKKSA-N -1 3 352.442 2.593 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588365504 1079995031 /nfs/dbraw/zinc/99/50/31/1079995031.db2.gz VXLRCMOMNXUNMG-SAZUREKKSA-N -1 3 352.442 2.593 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588412045 1080015804 /nfs/dbraw/zinc/01/58/04/1080015804.db2.gz QGOPURZSIPDDNH-OAHLLOKOSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588412045 1080015814 /nfs/dbraw/zinc/01/58/14/1080015814.db2.gz QGOPURZSIPDDNH-OAHLLOKOSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)CCc1noc([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001588425774 1080023009 /nfs/dbraw/zinc/02/30/09/1080023009.db2.gz UNSOGXCMHUQHNY-CYBMUJFWSA-N -1 3 369.404 2.891 20 30 FFEDHM C=C(C)CN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC001588425931 1080023151 /nfs/dbraw/zinc/02/31/51/1080023151.db2.gz BLTRYLAASFFFKS-LLVKDONJSA-N -1 3 360.487 2.642 20 30 FFEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588425349 1080024167 /nfs/dbraw/zinc/02/41/67/1080024167.db2.gz BHOKTMDICLDFLS-UHFFFAOYSA-N -1 3 351.208 2.669 20 30 FFEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588425349 1080024179 /nfs/dbraw/zinc/02/41/79/1080024179.db2.gz BHOKTMDICLDFLS-UHFFFAOYSA-N -1 3 351.208 2.669 20 30 FFEDHM C=C(C)Cn1c(C2CC2)nnc1N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001588438517 1080028476 /nfs/dbraw/zinc/02/84/76/1080028476.db2.gz SQBHZYBESHSWEM-UHFFFAOYSA-N -1 3 364.457 2.591 20 30 FFEDHM C=C(C)Cn1c(C2CC2)nnc1N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001588438517 1080028484 /nfs/dbraw/zinc/02/84/84/1080028484.db2.gz SQBHZYBESHSWEM-UHFFFAOYSA-N -1 3 364.457 2.591 20 30 FFEDHM C=C(CC)COc1ccc(-c2nnn[n-]2)cc1I ZINC001588444196 1080028944 /nfs/dbraw/zinc/02/89/44/1080028944.db2.gz QBJMYFRWMHSPJV-UHFFFAOYSA-N -1 3 356.167 2.816 20 30 FFEDHM C=C(CC)COc1ccc(-c2nn[n-]n2)cc1I ZINC001588444196 1080028954 /nfs/dbraw/zinc/02/89/54/1080028954.db2.gz QBJMYFRWMHSPJV-UHFFFAOYSA-N -1 3 356.167 2.816 20 30 FFEDHM C=C1CCC(CNC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001588462991 1080037596 /nfs/dbraw/zinc/03/75/96/1080037596.db2.gz ZLOXTUPAFCFJRL-UHFFFAOYSA-N -1 3 355.417 2.900 20 30 FFEDHM C=C1CCC(CNC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001588462991 1080037603 /nfs/dbraw/zinc/03/76/03/1080037603.db2.gz ZLOXTUPAFCFJRL-UHFFFAOYSA-N -1 3 355.417 2.900 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001588475894 1080044059 /nfs/dbraw/zinc/04/40/59/1080044059.db2.gz QENUGHLKAFAWCV-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001588475894 1080044069 /nfs/dbraw/zinc/04/40/69/1080044069.db2.gz QENUGHLKAFAWCV-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588483498 1080045455 /nfs/dbraw/zinc/04/54/55/1080045455.db2.gz MCIKPHZBCQIHGH-CYBMUJFWSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588484766 1080047594 /nfs/dbraw/zinc/04/75/94/1080047594.db2.gz MPJNMXQVXBOPLP-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588484766 1080047605 /nfs/dbraw/zinc/04/76/05/1080047605.db2.gz MPJNMXQVXBOPLP-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001588484720 1080048761 /nfs/dbraw/zinc/04/87/61/1080048761.db2.gz LBHYCXWEDVCKBR-KGLIPLIRSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001588484720 1080048766 /nfs/dbraw/zinc/04/87/66/1080048766.db2.gz LBHYCXWEDVCKBR-KGLIPLIRSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588484740 1080048801 /nfs/dbraw/zinc/04/88/01/1080048801.db2.gz LNVXHGADKKLNLR-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588484740 1080048808 /nfs/dbraw/zinc/04/88/08/1080048808.db2.gz LNVXHGADKKLNLR-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588491017 1080052832 /nfs/dbraw/zinc/05/28/32/1080052832.db2.gz CCRYBBACQPUCOY-AUUYWEPGSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588491017 1080052846 /nfs/dbraw/zinc/05/28/46/1080052846.db2.gz CCRYBBACQPUCOY-AUUYWEPGSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588492581 1080054161 /nfs/dbraw/zinc/05/41/61/1080054161.db2.gz UMHHOKPOXPJURA-RBUKOAKNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588492581 1080054166 /nfs/dbraw/zinc/05/41/66/1080054166.db2.gz UMHHOKPOXPJURA-RBUKOAKNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588495278 1080058368 /nfs/dbraw/zinc/05/83/68/1080058368.db2.gz ASQCSOBYTXVEKR-KXBFYZLASA-N -1 3 369.425 2.508 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588495278 1080058378 /nfs/dbraw/zinc/05/83/78/1080058378.db2.gz ASQCSOBYTXVEKR-KXBFYZLASA-N -1 3 369.425 2.508 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588531363 1080079966 /nfs/dbraw/zinc/07/99/66/1080079966.db2.gz AAQDLTQJCSTZHH-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588531363 1080079973 /nfs/dbraw/zinc/07/99/73/1080079973.db2.gz AAQDLTQJCSTZHH-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588532457 1080080938 /nfs/dbraw/zinc/08/09/38/1080080938.db2.gz WOSSCPKBYLLMBU-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588532457 1080080946 /nfs/dbraw/zinc/08/09/46/1080080946.db2.gz WOSSCPKBYLLMBU-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)CNC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588539597 1080086598 /nfs/dbraw/zinc/08/65/98/1080086598.db2.gz QVOJZUZVKPEDPC-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM C=CCC(C)(C)CNC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588539597 1080086607 /nfs/dbraw/zinc/08/66/07/1080086607.db2.gz QVOJZUZVKPEDPC-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM C=CCC1(C(=O)N(C)CCCNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588548157 1080090456 /nfs/dbraw/zinc/09/04/56/1080090456.db2.gz CKZFVQQSEDLAGQ-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCC1(C(=O)N(C)CCCNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588548157 1080090464 /nfs/dbraw/zinc/09/04/64/1080090464.db2.gz CKZFVQQSEDLAGQ-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001588552141 1080091214 /nfs/dbraw/zinc/09/12/14/1080091214.db2.gz PQFMHTAJAKQFLC-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001588552141 1080091220 /nfs/dbraw/zinc/09/12/20/1080091220.db2.gz PQFMHTAJAKQFLC-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588552387 1080091275 /nfs/dbraw/zinc/09/12/75/1080091275.db2.gz VLJGKPQYPPNTGC-UONOGXRCSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588552387 1080091284 /nfs/dbraw/zinc/09/12/84/1080091284.db2.gz VLJGKPQYPPNTGC-UONOGXRCSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CCC1(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)CCC1 ZINC001588549842 1080091299 /nfs/dbraw/zinc/09/12/99/1080091299.db2.gz ZRBCKKGCFSUVIO-CYBMUJFWSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC1(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)CCC1 ZINC001588549842 1080091301 /nfs/dbraw/zinc/09/13/01/1080091301.db2.gz ZRBCKKGCFSUVIO-CYBMUJFWSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CCCNc2ncccc2-c2nnn[n-]2)CCC1 ZINC001588551874 1080092177 /nfs/dbraw/zinc/09/21/77/1080092177.db2.gz KDKSBZXFDXUIIB-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CCCNc2ncccc2-c2nn[n-]n2)CCC1 ZINC001588551874 1080092185 /nfs/dbraw/zinc/09/21/85/1080092185.db2.gz KDKSBZXFDXUIIB-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588558706 1080096287 /nfs/dbraw/zinc/09/62/87/1080096287.db2.gz BTMWWTCVMCTBJS-UKRRQHHQSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588558706 1080096294 /nfs/dbraw/zinc/09/62/94/1080096294.db2.gz BTMWWTCVMCTBJS-UKRRQHHQSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CCCC(C)(C)NC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588578202 1080106307 /nfs/dbraw/zinc/10/63/07/1080106307.db2.gz YONYNXYTWIMHGN-AWEZNQCLSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCCC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001588582406 1080108311 /nfs/dbraw/zinc/10/83/11/1080108311.db2.gz JGKPCLXIBAWHNN-MRXNPFEDSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001588582406 1080108314 /nfs/dbraw/zinc/10/83/14/1080108314.db2.gz JGKPCLXIBAWHNN-MRXNPFEDSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588608038 1080121678 /nfs/dbraw/zinc/12/16/78/1080121678.db2.gz CYJBYMJKAUJKCT-HNNXBMFYSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588608038 1080121683 /nfs/dbraw/zinc/12/16/83/1080121683.db2.gz CYJBYMJKAUJKCT-HNNXBMFYSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588635595 1080130313 /nfs/dbraw/zinc/13/03/13/1080130313.db2.gz PSKCNVLISFXCTD-UHFFFAOYSA-N -1 3 368.397 2.731 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588635595 1080130317 /nfs/dbraw/zinc/13/03/17/1080130317.db2.gz PSKCNVLISFXCTD-UHFFFAOYSA-N -1 3 368.397 2.731 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C(F)(F)F ZINC001588640738 1080133199 /nfs/dbraw/zinc/13/31/99/1080133199.db2.gz ZHPVETLROZCNJW-UHFFFAOYSA-N -1 3 368.363 2.905 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C(F)(F)F ZINC001588640738 1080133204 /nfs/dbraw/zinc/13/32/04/1080133204.db2.gz ZHPVETLROZCNJW-UHFFFAOYSA-N -1 3 368.363 2.905 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001588641706 1080134922 /nfs/dbraw/zinc/13/49/22/1080134922.db2.gz KNMSFOYHMHAXCY-PVAVHDDUSA-N -1 3 352.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001588641706 1080134924 /nfs/dbraw/zinc/13/49/24/1080134924.db2.gz KNMSFOYHMHAXCY-PVAVHDDUSA-N -1 3 352.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(NC)c(F)c1 ZINC001588648847 1080139781 /nfs/dbraw/zinc/13/97/81/1080139781.db2.gz VJMUAVDADKYEAC-UHFFFAOYSA-N -1 3 366.400 2.876 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(NC)c(F)c1 ZINC001588648847 1080139789 /nfs/dbraw/zinc/13/97/89/1080139789.db2.gz VJMUAVDADKYEAC-UHFFFAOYSA-N -1 3 366.400 2.876 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C)n1CC(C)C ZINC001588652031 1080142109 /nfs/dbraw/zinc/14/21/09/1080142109.db2.gz FTBCMJAEOGAEHM-UHFFFAOYSA-N -1 3 352.446 2.615 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C)n1CC(C)C ZINC001588652031 1080142112 /nfs/dbraw/zinc/14/21/12/1080142112.db2.gz FTBCMJAEOGAEHM-UHFFFAOYSA-N -1 3 352.446 2.615 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588653648 1080143221 /nfs/dbraw/zinc/14/32/21/1080143221.db2.gz RYAQLGNVFOYMSS-HNNXBMFYSA-N -1 3 363.421 2.849 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588653648 1080143226 /nfs/dbraw/zinc/14/32/26/1080143226.db2.gz RYAQLGNVFOYMSS-HNNXBMFYSA-N -1 3 363.421 2.849 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588688349 1080154267 /nfs/dbraw/zinc/15/42/67/1080154267.db2.gz DEUKXDPNJUMBAF-VWLOTQADSA-N -1 3 353.407 2.720 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588688349 1080154272 /nfs/dbraw/zinc/15/42/72/1080154272.db2.gz DEUKXDPNJUMBAF-VWLOTQADSA-N -1 3 353.407 2.720 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001588688595 1080154753 /nfs/dbraw/zinc/15/47/53/1080154753.db2.gz LAVFFSJWZZZTNZ-SANMLTNESA-N -1 3 371.397 2.859 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001588688595 1080154756 /nfs/dbraw/zinc/15/47/56/1080154756.db2.gz LAVFFSJWZZZTNZ-SANMLTNESA-N -1 3 371.397 2.859 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC001588689146 1080155686 /nfs/dbraw/zinc/15/56/86/1080155686.db2.gz GYTXTYUWVYZXME-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001588689146 1080155691 /nfs/dbraw/zinc/15/56/91/1080155691.db2.gz GYTXTYUWVYZXME-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588689877 1080156517 /nfs/dbraw/zinc/15/65/17/1080156517.db2.gz NLJCMCUASJZBCP-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM C=CCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588689877 1080156525 /nfs/dbraw/zinc/15/65/25/1080156525.db2.gz NLJCMCUASJZBCP-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H](C)C[C@H]1C ZINC001588696129 1080159702 /nfs/dbraw/zinc/15/97/02/1080159702.db2.gz JUFFKCXDYXHSGO-QWHCGFSZSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H](C)C[C@H]1C ZINC001588696129 1080159705 /nfs/dbraw/zinc/15/97/05/1080159705.db2.gz JUFFKCXDYXHSGO-QWHCGFSZSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CCC(C)C ZINC001588699042 1080160655 /nfs/dbraw/zinc/16/06/55/1080160655.db2.gz CYDIFHOVRXBCTE-UHFFFAOYSA-N -1 3 352.446 2.794 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CCC(C)C ZINC001588699042 1080160659 /nfs/dbraw/zinc/16/06/59/1080160659.db2.gz CYDIFHOVRXBCTE-UHFFFAOYSA-N -1 3 352.446 2.794 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COc2cc(F)cc(-c3nnn[n-]3)c2)c1C ZINC001588703338 1080162123 /nfs/dbraw/zinc/16/21/23/1080162123.db2.gz NXWRBIOUGMDGPI-UHFFFAOYSA-N -1 3 355.373 2.872 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COc2cc(F)cc(-c3nn[n-]n3)c2)c1C ZINC001588703338 1080162128 /nfs/dbraw/zinc/16/21/28/1080162128.db2.gz NXWRBIOUGMDGPI-UHFFFAOYSA-N -1 3 355.373 2.872 20 30 FFEDHM C=CCn1c(SCCOc2ccccc2-c2nnn[n-]2)nnc1C1CC1 ZINC001588711513 1080166589 /nfs/dbraw/zinc/16/65/89/1080166589.db2.gz QKDKYZPPXQYSHT-UHFFFAOYSA-N -1 3 369.454 2.693 20 30 FFEDHM C=CCn1c(SCCOc2ccccc2-c2nn[n-]n2)nnc1C1CC1 ZINC001588711513 1080166595 /nfs/dbraw/zinc/16/65/95/1080166595.db2.gz QKDKYZPPXQYSHT-UHFFFAOYSA-N -1 3 369.454 2.693 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCCO2 ZINC001588780622 1080192160 /nfs/dbraw/zinc/19/21/60/1080192160.db2.gz HZKLSVCTBRSMFU-UHFFFAOYSA-N -1 3 350.382 2.864 20 30 FFEDHM C=CCC[C@@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1 ZINC001588778499 1080192338 /nfs/dbraw/zinc/19/23/38/1080192338.db2.gz CAPHPUKNPYXTRE-QGZVFWFLSA-N -1 3 359.470 2.884 20 30 FFEDHM C=CCN1CCC(NC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001588840059 1080214077 /nfs/dbraw/zinc/21/40/77/1080214077.db2.gz ZOWHKAOFPRYIKR-KRWDZBQOSA-N -1 3 371.481 2.754 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589058777 1080330988 /nfs/dbraw/zinc/33/09/88/1080330988.db2.gz XVIOQMMBBRLMQG-UHFFFAOYSA-N -1 3 357.377 2.526 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589058777 1080330991 /nfs/dbraw/zinc/33/09/91/1080330991.db2.gz XVIOQMMBBRLMQG-UHFFFAOYSA-N -1 3 357.377 2.526 20 30 FFEDHM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589438883 1080532961 /nfs/dbraw/zinc/53/29/61/1080532961.db2.gz DCOGJLCOEDTBAW-GDIGMMSISA-N -1 3 363.417 2.685 20 30 FFEDHM CC(C)[C@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589507271 1080571772 /nfs/dbraw/zinc/57/17/72/1080571772.db2.gz GFPHSQGEUKLHPA-WMZOPIPTSA-N -1 3 366.469 2.834 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC001589752923 1080704499 /nfs/dbraw/zinc/70/44/99/1080704499.db2.gz KYKCLQKUOWSHAY-GOSISDBHSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC001589752923 1080704505 /nfs/dbraw/zinc/70/45/05/1080704505.db2.gz KYKCLQKUOWSHAY-GOSISDBHSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)c1cnc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001589773566 1080728175 /nfs/dbraw/zinc/72/81/75/1080728175.db2.gz LMQYDFSGPSQJOK-CYBMUJFWSA-N -1 3 367.438 2.768 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1nnc([C@@H](C)CCC#N)n1C ZINC001589803111 1080760132 /nfs/dbraw/zinc/76/01/32/1080760132.db2.gz NNWLQRLLCHFJGU-QWHCGFSZSA-N -1 3 365.445 2.600 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1nnc([C@@H](C)CCC#N)n1C ZINC001589803111 1080760138 /nfs/dbraw/zinc/76/01/38/1080760138.db2.gz NNWLQRLLCHFJGU-QWHCGFSZSA-N -1 3 365.445 2.600 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC001589893445 1080839244 /nfs/dbraw/zinc/83/92/44/1080839244.db2.gz WLCKMRQLAAUXBQ-BBRMVZONSA-N -1 3 352.442 2.586 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC001589893445 1080839249 /nfs/dbraw/zinc/83/92/49/1080839249.db2.gz WLCKMRQLAAUXBQ-BBRMVZONSA-N -1 3 352.442 2.586 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589896544 1080844680 /nfs/dbraw/zinc/84/46/80/1080844680.db2.gz ICGOSEFKZOUUCT-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589896544 1080844687 /nfs/dbraw/zinc/84/46/87/1080844687.db2.gz ICGOSEFKZOUUCT-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM CC1(C)CCC[C@@H]1CCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590095546 1081008596 /nfs/dbraw/zinc/00/85/96/1081008596.db2.gz LQLLFKKGRYLEIT-DLBZAZTESA-N -1 3 366.469 2.882 20 30 FFEDHM C[C@]1(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1(Cl)Cl ZINC001590123529 1081032495 /nfs/dbraw/zinc/03/24/95/1081032495.db2.gz NXOSTAJNWXFUNF-ZDUSSCGKSA-N -1 3 351.197 2.651 20 30 FFEDHM C[C@]1(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1(Cl)Cl ZINC001590123529 1081032501 /nfs/dbraw/zinc/03/25/01/1081032501.db2.gz NXOSTAJNWXFUNF-ZDUSSCGKSA-N -1 3 351.197 2.651 20 30 FFEDHM C[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC001590285967 1081140253 /nfs/dbraw/zinc/14/02/53/1081140253.db2.gz XEVTVJDZKOMMMS-XJKSGUPXSA-N -1 3 358.405 2.699 20 30 FFEDHM C[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001590285967 1081140256 /nfs/dbraw/zinc/14/02/56/1081140256.db2.gz XEVTVJDZKOMMMS-XJKSGUPXSA-N -1 3 358.405 2.699 20 30 FFEDHM O=S(=O)([N-]CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1F ZINC000444053573 514107781 /nfs/dbraw/zinc/10/77/81/514107781.db2.gz BYTSEQFSDGZRIB-UHFFFAOYSA-N -1 3 369.258 2.702 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000101751260 250087912 /nfs/dbraw/zinc/08/79/12/250087912.db2.gz ONBHTKWVACHZSF-UHFFFAOYSA-N -1 3 364.405 2.562 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(F)cc3C#N)CCC2)n1 ZINC000269790619 251423792 /nfs/dbraw/zinc/42/37/92/251423792.db2.gz JWHKWSDSQFKABB-UHFFFAOYSA-N -1 3 351.428 2.820 20 30 FFEDHM C[C@H](CON=C([O-])Nc1ccc(F)cc1C#N)NC(=O)OC(C)(C)C ZINC000273441375 252307030 /nfs/dbraw/zinc/30/70/30/252307030.db2.gz MXNMKHFTVFXKOP-SNVBAGLBSA-N -1 3 352.366 2.664 20 30 FFEDHM C[C@H](CO[N-]C(=O)Nc1ccc(F)cc1C#N)NC(=O)OC(C)(C)C ZINC000273441375 252307034 /nfs/dbraw/zinc/30/70/34/252307034.db2.gz MXNMKHFTVFXKOP-SNVBAGLBSA-N -1 3 352.366 2.664 20 30 FFEDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000276947220 256145634 /nfs/dbraw/zinc/14/56/34/256145634.db2.gz NVJHCVCVOJSWOL-NXEZZACHSA-N -1 3 367.862 2.883 20 30 FFEDHM N#Cc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1F ZINC000284839344 256954168 /nfs/dbraw/zinc/95/41/68/256954168.db2.gz BVYFVIZEOWGGFY-UHFFFAOYSA-N -1 3 367.380 2.894 20 30 FFEDHM C[C@]1(C[C@H]2CCCN2c2ccc(C(F)(F)F)cc2C#N)NC(=O)[N-]C1=O ZINC000286384093 257034298 /nfs/dbraw/zinc/03/42/98/257034298.db2.gz NHLCULHFRSVAFR-MLGOLLRUSA-N -1 3 366.343 2.534 20 30 FFEDHM N#Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nn1 ZINC000301913661 258075183 /nfs/dbraw/zinc/07/51/83/258075183.db2.gz HTVOPLNEMWLVSG-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCN(C2CCCC2)C1 ZINC000331914340 258205867 /nfs/dbraw/zinc/20/58/67/258205867.db2.gz INNBNWHQTMXTBZ-LBPRGKRZSA-N -1 3 353.875 2.507 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccc(F)cc2O1 ZINC000331967596 258208213 /nfs/dbraw/zinc/20/82/13/258208213.db2.gz QMDLLSMEXSUXNB-ZDUSSCGKSA-N -1 3 350.371 2.871 20 30 FFEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(=O)NC1(C(F)F)CC1 ZINC000411501916 512665207 /nfs/dbraw/zinc/66/52/07/512665207.db2.gz IBBWPEPJBFVPGT-SECBINFHSA-N -1 3 372.240 2.598 20 30 FFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCCC#N ZINC000565371059 518921623 /nfs/dbraw/zinc/92/16/23/518921623.db2.gz CYTCCPMLKDGAED-UHFFFAOYSA-N -1 3 365.224 2.569 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)n[n-]1 ZINC000052779017 506249262 /nfs/dbraw/zinc/24/92/62/506249262.db2.gz WRPNAZXAXHOPJS-LBPRGKRZSA-N -1 3 357.414 2.573 20 30 FFEDHM CS(=O)(=O)Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000041497000 506525279 /nfs/dbraw/zinc/52/52/79/506525279.db2.gz VALFJEGLVQCDIK-CQSZACIVSA-N -1 3 353.403 2.598 20 30 FFEDHM CC(C)N(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041492095 506526433 /nfs/dbraw/zinc/52/64/33/506526433.db2.gz DXZUIIBEXZCTKL-INIZCTEOSA-N -1 3 357.435 2.601 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000055554860 506775450 /nfs/dbraw/zinc/77/54/50/506775450.db2.gz CKKRTWAHPLACTA-UHFFFAOYSA-N -1 3 370.352 2.821 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000068455300 507239648 /nfs/dbraw/zinc/23/96/48/507239648.db2.gz VHDAEVPGCOCBTE-AWEZNQCLSA-N -1 3 365.220 2.617 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N2CCN(CC3CCCCC3)CC2)cc1C#N ZINC000070828759 507645204 /nfs/dbraw/zinc/64/52/04/507645204.db2.gz UQVSVVIGNFODGE-UHFFFAOYSA-N -1 3 374.510 2.719 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c(F)c1 ZINC000030359865 507807281 /nfs/dbraw/zinc/80/72/81/507807281.db2.gz QCOGNZHBORGPSD-NSHDSACASA-N -1 3 361.398 2.695 20 30 FFEDHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000075440460 508107507 /nfs/dbraw/zinc/10/75/07/508107507.db2.gz VVMFQFJALXIVSN-AWEZNQCLSA-N -1 3 352.438 2.801 20 30 FFEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076936129 508263895 /nfs/dbraw/zinc/26/38/95/508263895.db2.gz NUVIPYZXOJMSBR-UHFFFAOYSA-N -1 3 363.826 2.681 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000104547390 508338449 /nfs/dbraw/zinc/33/84/49/508338449.db2.gz ZTFPTDBUERHNRL-UHFFFAOYSA-N -1 3 369.462 2.989 20 30 FFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000088780274 508384182 /nfs/dbraw/zinc/38/41/82/508384182.db2.gz AKQOAJLLYMEEAD-UHFFFAOYSA-N -1 3 353.831 2.803 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(C(F)(F)F)c1 ZINC000152294888 508417405 /nfs/dbraw/zinc/41/74/05/508417405.db2.gz KXBIUHVYWNDUPL-SNVBAGLBSA-N -1 3 350.387 2.751 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000156574514 508443106 /nfs/dbraw/zinc/44/31/06/508443106.db2.gz WBDFIPZEVCZUJU-UHFFFAOYSA-N -1 3 367.380 2.586 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000122001129 508465387 /nfs/dbraw/zinc/46/53/87/508465387.db2.gz FGFPOVRWHXTLLK-NSHDSACASA-N -1 3 352.316 2.948 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2F ZINC000156731218 508468936 /nfs/dbraw/zinc/46/89/36/508468936.db2.gz QZLPHWKCBZIHHE-AWEZNQCLSA-N -1 3 361.354 2.571 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116096442 508471089 /nfs/dbraw/zinc/47/10/89/508471089.db2.gz UBDQTQDRZSNKLK-DYVFJYSZSA-N -1 3 371.387 2.747 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(OC(F)F)c1 ZINC000156932168 508498911 /nfs/dbraw/zinc/49/89/11/508498911.db2.gz PCUAJLFMFZKOGE-UHFFFAOYSA-N -1 3 356.325 2.777 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OC2CCCC2)CC1 ZINC000116424996 508512029 /nfs/dbraw/zinc/51/20/29/508512029.db2.gz BSRJKZAZQGPODM-UHFFFAOYSA-N -1 3 371.481 2.746 20 30 FFEDHM CCc1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cs1 ZINC000157068514 508518254 /nfs/dbraw/zinc/51/82/54/508518254.db2.gz ILSMPHYORAMPCY-UHFFFAOYSA-N -1 3 355.872 2.752 20 30 FFEDHM Cc1cc(F)c(S(=O)(=O)[N-]CCOc2ccc(C#N)cc2)cc1F ZINC000122333065 508519009 /nfs/dbraw/zinc/51/90/09/508519009.db2.gz VJJCNICVURUKNO-UHFFFAOYSA-N -1 3 352.362 2.502 20 30 FFEDHM C=CC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000116852989 508568446 /nfs/dbraw/zinc/56/84/46/508568446.db2.gz WJRXRTNDFUMXHH-SNVBAGLBSA-N -1 3 365.282 2.743 20 30 FFEDHM C[C@H](C(=O)[N-]CC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117432450 508598176 /nfs/dbraw/zinc/59/81/76/508598176.db2.gz IBECSUMKQNQUNX-ZCFIWIBFSA-N -1 3 360.220 2.870 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccccc1N(C)C ZINC000128898902 508657386 /nfs/dbraw/zinc/65/73/86/508657386.db2.gz SZCZVCCOYYJUMJ-UHFFFAOYSA-N -1 3 352.438 2.525 20 30 FFEDHM CCc1ccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000123440343 508687382 /nfs/dbraw/zinc/68/73/82/508687382.db2.gz KLPVNYIARARSQE-UHFFFAOYSA-N -1 3 351.450 2.717 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1n[nH]c2c1cccc2Cl ZINC000154313092 508757878 /nfs/dbraw/zinc/75/78/78/508757878.db2.gz OKIMWJUWIVVXPN-UHFFFAOYSA-N -1 3 369.812 2.964 20 30 FFEDHM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000130171008 508801226 /nfs/dbraw/zinc/80/12/26/508801226.db2.gz RMARGSLJJODBLC-INIZCTEOSA-N -1 3 365.437 2.633 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000142110623 508821844 /nfs/dbraw/zinc/82/18/44/508821844.db2.gz MYOMBFMWYYGAOV-IBGZPJMESA-N -1 3 365.433 2.865 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2CO)c(C(F)(F)F)c1 ZINC000159769419 508888167 /nfs/dbraw/zinc/88/81/67/508888167.db2.gz IONKTJRCRUAJCE-UHFFFAOYSA-N -1 3 370.352 2.548 20 30 FFEDHM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1nnc2n1CCCCC2 ZINC000159846555 508900004 /nfs/dbraw/zinc/90/00/04/508900004.db2.gz OGAZWDBJCUDPSM-MRXNPFEDSA-N -1 3 358.405 2.952 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c(F)c1 ZINC000151133164 508963484 /nfs/dbraw/zinc/96/34/84/508963484.db2.gz ATICAIWFHDKVFP-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM CCOCCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCC1 ZINC000132621432 509053352 /nfs/dbraw/zinc/05/33/52/509053352.db2.gz LHLCGIPEORYHMY-UHFFFAOYSA-N -1 3 359.470 2.509 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000121085287 509124644 /nfs/dbraw/zinc/12/46/44/509124644.db2.gz MHXDGLISGREWTP-JRGCBEDISA-N -1 3 361.445 2.641 20 30 FFEDHM N#CC(=C([O-])c1ccc(OCC(F)F)nc1)c1nnc2n1CCCCC2 ZINC000156158496 509137102 /nfs/dbraw/zinc/13/71/02/509137102.db2.gz WEXLWXHKTCCAAX-GFCCVEGCSA-N -1 3 361.352 2.533 20 30 FFEDHM N#CCNC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000126905924 509145912 /nfs/dbraw/zinc/14/59/12/509145912.db2.gz UJSOLICAPUZLFC-UHFFFAOYSA-N -1 3 370.459 2.525 20 30 FFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1cccs1 ZINC000156322973 509159835 /nfs/dbraw/zinc/15/98/35/509159835.db2.gz QYQROXBRJQQVBB-CYBMUJFWSA-N -1 3 364.448 2.511 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CC(=O)c1ccccc1 ZINC000162236426 509181399 /nfs/dbraw/zinc/18/13/99/509181399.db2.gz HBVAMOAZOSSJFG-CYBMUJFWSA-N -1 3 365.433 2.574 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000176138611 509343070 /nfs/dbraw/zinc/34/30/70/509343070.db2.gz GAOHCLVMJHCPJV-AEFFLSMTSA-N -1 3 369.465 2.546 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000179593291 509527264 /nfs/dbraw/zinc/52/72/64/509527264.db2.gz NVSPGFAYZUIFGR-UHFFFAOYSA-N -1 3 364.405 2.562 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000186434680 509706952 /nfs/dbraw/zinc/70/69/52/509706952.db2.gz QCHCOKWYBPTEQT-SNVBAGLBSA-N -1 3 352.437 2.658 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC000183498719 509826747 /nfs/dbraw/zinc/82/67/47/509826747.db2.gz REBHXRGQELQKPT-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM COc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(Cl)n1 ZINC000268472961 509954369 /nfs/dbraw/zinc/95/43/69/509954369.db2.gz NBTBINDBBNWKET-UHFFFAOYSA-N -1 3 360.801 2.904 20 30 FFEDHM CC[C@H](CC#N)NC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000183852818 510006066 /nfs/dbraw/zinc/00/60/66/510006066.db2.gz GEDUESFIHXZXSR-SGUJLRQBSA-N -1 3 353.216 2.985 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190249084 510025945 /nfs/dbraw/zinc/02/59/45/510025945.db2.gz NKRRXRIJLGMDNK-SFHVURJKSA-N -1 3 365.433 2.695 20 30 FFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187056875 510031509 /nfs/dbraw/zinc/03/15/09/510031509.db2.gz FQYTYJHMTGHFCF-OLZOCXBDSA-N -1 3 359.875 2.998 20 30 FFEDHM N#Cc1cccc(-c2csc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c1 ZINC000193748270 510047353 /nfs/dbraw/zinc/04/73/53/510047353.db2.gz NSBXKHFYKAPMKV-UHFFFAOYSA-N -1 3 367.346 2.943 20 30 FFEDHM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000190377532 510096091 /nfs/dbraw/zinc/09/60/91/510096091.db2.gz CGNFEZIDFULYHN-MRXNPFEDSA-N -1 3 356.875 2.821 20 30 FFEDHM CCO[C@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCC2 ZINC000174552458 510174253 /nfs/dbraw/zinc/17/42/53/510174253.db2.gz PBOUXAFZZHPIAV-ROUUACIJSA-N -1 3 371.481 2.650 20 30 FFEDHM CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(CC)CC ZINC000177713736 510211800 /nfs/dbraw/zinc/21/18/00/510211800.db2.gz PASFEAUATDIFMD-QZTJIDSGSA-N -1 3 373.497 2.896 20 30 FFEDHM CC(C)Oc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1ccccn1 ZINC000181010204 510236744 /nfs/dbraw/zinc/23/67/44/510236744.db2.gz XEPAEVCCNNWSDM-HNNXBMFYSA-N -1 3 358.419 2.762 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246439559 510490043 /nfs/dbraw/zinc/49/00/43/510490043.db2.gz IREXMMOUZGAGLQ-FVQBIDKESA-N -1 3 366.870 2.838 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC2(CCOCC2)C1 ZINC000266270037 510490849 /nfs/dbraw/zinc/49/08/49/510490849.db2.gz XNQOUWOPMMXIQK-UHFFFAOYSA-N -1 3 357.454 2.628 20 30 FFEDHM C=CCC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCC1 ZINC000188010131 510547335 /nfs/dbraw/zinc/54/73/35/510547335.db2.gz DJBGJWFSWCCTCV-UHFFFAOYSA-N -1 3 352.431 2.951 20 30 FFEDHM N#CCc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000178350256 510560152 /nfs/dbraw/zinc/56/01/52/510560152.db2.gz SWDONJNIROCJPQ-UHFFFAOYSA-N -1 3 363.417 2.949 20 30 FFEDHM C=CCCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178607255 510684105 /nfs/dbraw/zinc/68/41/05/510684105.db2.gz BZMQFCGNDNNFKA-UHFFFAOYSA-N -1 3 372.874 2.602 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1nc2ccccc2n1C1CC1 ZINC000185116316 510692929 /nfs/dbraw/zinc/69/29/29/510692929.db2.gz OJQAVWQRVFZZRN-UHFFFAOYSA-N -1 3 370.409 2.860 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000175665094 510721298 /nfs/dbraw/zinc/72/12/98/510721298.db2.gz WXDJRAVAUAGHGQ-UHFFFAOYSA-N -1 3 373.416 2.892 20 30 FFEDHM CC[C@@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182275779 510840586 /nfs/dbraw/zinc/84/05/86/510840586.db2.gz VAYFKXRXLVYIOK-FUHWJXTLSA-N -1 3 351.406 2.672 20 30 FFEDHM CC[C@H](C)[N-]C(=S)C(C(=O)c1nccs1)[n+]1cc([O-])ccc1F ZINC000278169105 510983804 /nfs/dbraw/zinc/98/38/04/510983804.db2.gz DESZPOQWQWDYTM-VIFPVBQESA-O -1 3 354.452 2.602 20 30 FFEDHM Cc1nc(Cn2cc(C(=O)[N-]c3sc(C(C)(C)C)cc3C#N)nn2)no1 ZINC000297610781 511008285 /nfs/dbraw/zinc/00/82/85/511008285.db2.gz APTSRJVSIUIEKM-UHFFFAOYSA-N -1 3 371.426 2.501 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1cccc(F)c1)c1ccccn1 ZINC000365402721 511428227 /nfs/dbraw/zinc/42/82/27/511428227.db2.gz CPNSVAGQMYEURW-GOSISDBHSA-N -1 3 368.393 2.555 20 30 FFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000292011501 511429621 /nfs/dbraw/zinc/42/96/21/511429621.db2.gz MRQQKDLPHCHVEN-UHFFFAOYSA-N -1 3 353.831 2.939 20 30 FFEDHM C[C@H]1CN(c2ccc([N-]c3ncc(C#N)cc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000295638373 511468263 /nfs/dbraw/zinc/46/82/63/511468263.db2.gz XZOKPZVYCPPUHD-RYUDHWBXSA-N -1 3 354.370 2.614 20 30 FFEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000272798143 511507827 /nfs/dbraw/zinc/50/78/27/511507827.db2.gz XYGPJXVNPXSETH-HNAYVOBHSA-N -1 3 374.441 2.651 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)OCCO2 ZINC000274300693 511786034 /nfs/dbraw/zinc/78/60/34/511786034.db2.gz FZVVCPNZGOCDTJ-UHFFFAOYSA-N -1 3 354.362 2.585 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cc1C#N ZINC000314613579 511796376 /nfs/dbraw/zinc/79/63/76/511796376.db2.gz ZGGGBOYLIVTVMB-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000316160469 511802702 /nfs/dbraw/zinc/80/27/02/511802702.db2.gz VDQMPEHZXLKWMD-SNVBAGLBSA-N -1 3 368.680 2.708 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000274730119 511924520 /nfs/dbraw/zinc/92/45/20/511924520.db2.gz ICTVPVUMZZBUSY-OAHLLOKOSA-N -1 3 374.890 2.972 20 30 FFEDHM C=CCC1(c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)CCOCC1 ZINC000351292494 512011937 /nfs/dbraw/zinc/01/19/37/512011937.db2.gz MQBRYFSCLQZZIY-UHFFFAOYSA-N -1 3 363.439 2.732 20 30 FFEDHM C[C@H]1C[C@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC(=O)N1 ZINC000329363159 512034713 /nfs/dbraw/zinc/03/47/13/512034713.db2.gz ZJCPMLDBHQFTPY-UWVGGRQHSA-N -1 3 369.418 2.609 20 30 FFEDHM CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CCO1 ZINC000329557551 512070670 /nfs/dbraw/zinc/07/06/70/512070670.db2.gz QOQOVDKUDNHXFQ-ZUMXRPEOSA-N -1 3 366.462 2.601 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC12CCOCC2 ZINC000282154047 512089768 /nfs/dbraw/zinc/08/97/68/512089768.db2.gz XEDVGVBNLROLIJ-KRWDZBQOSA-N -1 3 357.454 2.674 20 30 FFEDHM COCC[C@H]1CCCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000369947751 512695721 /nfs/dbraw/zinc/69/57/21/512695721.db2.gz YZZPMHKOGUDGAP-MRXNPFEDSA-N -1 3 359.470 2.874 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1OCCC2=O ZINC000376279320 512746824 /nfs/dbraw/zinc/74/68/24/512746824.db2.gz CVBLYVUKUCVSFX-UHFFFAOYSA-N -1 3 365.389 2.812 20 30 FFEDHM COc1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc(OC)c1[O-] ZINC000374348167 512783034 /nfs/dbraw/zinc/78/30/34/512783034.db2.gz XJHVOYZMSPSJMM-UHFFFAOYSA-N -1 3 367.405 2.502 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000374717664 512969206 /nfs/dbraw/zinc/96/92/06/512969206.db2.gz RLTWPUCHRITJHR-QGZVFWFLSA-N -1 3 364.449 2.695 20 30 FFEDHM COC(=O)c1cccc(F)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000446108285 513187889 /nfs/dbraw/zinc/18/78/89/513187889.db2.gz MUKAFYBWUNBQDK-UHFFFAOYSA-N -1 3 371.368 2.773 20 30 FFEDHM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429604105 513421757 /nfs/dbraw/zinc/42/17/57/513421757.db2.gz IXBRIGWINSRIGP-OAHLLOKOSA-N -1 3 361.405 2.896 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000450981286 513437804 /nfs/dbraw/zinc/43/78/04/513437804.db2.gz XCRFXJWOJGRROT-GFCCVEGCSA-N -1 3 363.252 2.946 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2c(F)c(F)ccc21 ZINC000416004140 513533839 /nfs/dbraw/zinc/53/38/39/513533839.db2.gz SKHDPCWTVVKAKE-UHFFFAOYSA-N -1 3 373.359 2.912 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C#N ZINC000435384719 513572188 /nfs/dbraw/zinc/57/21/88/513572188.db2.gz NWOLQVGWCGBYSR-UHFFFAOYSA-N -1 3 373.434 2.969 20 30 FFEDHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c(=O)[n-]1 ZINC000416111820 513575593 /nfs/dbraw/zinc/57/55/93/513575593.db2.gz VGIZKVACISUCIV-GOSISDBHSA-N -1 3 350.422 2.797 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1cccc(F)c1 ZINC000435423802 513579687 /nfs/dbraw/zinc/57/96/87/513579687.db2.gz SBSAAKGARUDDST-GFCCVEGCSA-N -1 3 354.428 2.895 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000435427853 513581309 /nfs/dbraw/zinc/58/13/09/513581309.db2.gz NSJQGMSDSWHHRS-ZDUSSCGKSA-N -1 3 356.856 2.939 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@H](C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000435437698 513588406 /nfs/dbraw/zinc/58/84/06/513588406.db2.gz LECHNRUYOSHPSO-DOTOQJQBSA-N -1 3 351.468 2.534 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000435442981 513591918 /nfs/dbraw/zinc/59/19/18/513591918.db2.gz OBKPFWWBJNRJCT-CYBMUJFWSA-N -1 3 356.856 2.939 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000435446879 513592521 /nfs/dbraw/zinc/59/25/21/513592521.db2.gz MRJTYUPZUXTLST-GFCCVEGCSA-N -1 3 363.266 2.594 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416441939 513773411 /nfs/dbraw/zinc/77/34/11/513773411.db2.gz SEAZHGGHZIQZGK-UHFFFAOYSA-N -1 3 366.252 2.768 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCCCO1 ZINC000416456413 513779685 /nfs/dbraw/zinc/77/96/85/513779685.db2.gz MAWZEXDOBGCOQV-MFKMUULPSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000416465301 513787541 /nfs/dbraw/zinc/78/75/41/513787541.db2.gz LDGNKHODTBWXMJ-GXTWGEPZSA-N -1 3 361.492 2.747 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000451498026 513790517 /nfs/dbraw/zinc/79/05/17/513790517.db2.gz MYPIEQZSUJJPND-GFCCVEGCSA-N -1 3 365.282 2.886 20 30 FFEDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C12CCC2 ZINC000416556248 513832104 /nfs/dbraw/zinc/83/21/04/513832104.db2.gz FMPHIPKTKFBBHX-ZIAGYGMSSA-N -1 3 374.384 2.813 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431135446 513835620 /nfs/dbraw/zinc/83/56/20/513835620.db2.gz BOHDYZVOYLBNFZ-UHFFFAOYSA-N -1 3 370.352 2.821 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1 ZINC000416598290 513858494 /nfs/dbraw/zinc/85/84/94/513858494.db2.gz UKMJGQXNXXWBLE-CHWSQXEVSA-N -1 3 361.236 2.880 20 30 FFEDHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443065115 513861004 /nfs/dbraw/zinc/86/10/04/513861004.db2.gz DXJLGPFJKNCOFU-STQMWFEESA-N -1 3 351.428 2.960 20 30 FFEDHM CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443124741 513878880 /nfs/dbraw/zinc/87/88/80/513878880.db2.gz BQXNLFKAOVKRRG-UHFFFAOYSA-N -1 3 350.422 2.647 20 30 FFEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C12CCCC2 ZINC000443334341 513938583 /nfs/dbraw/zinc/93/85/83/513938583.db2.gz LXFDQLYETIRKOV-HOTGVXAUSA-N -1 3 352.431 2.713 20 30 FFEDHM Cc1ccccc1-c1cc(=NC(=O)C(=O)Nc2cccc(C#N)c2C)[nH][n-]1 ZINC000436688357 513944816 /nfs/dbraw/zinc/94/48/16/513944816.db2.gz BQUOMYKWZKJLQM-UHFFFAOYSA-N -1 3 359.389 2.564 20 30 FFEDHM C=CC(C)(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000451810385 513994838 /nfs/dbraw/zinc/99/48/38/513994838.db2.gz LDLOGALXMHEOCI-UHFFFAOYSA-N -1 3 374.528 2.719 20 30 FFEDHM CCN=c1[n-]c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000426634544 514002406 /nfs/dbraw/zinc/00/24/06/514002406.db2.gz NOCHOONWVOKQFZ-UHFFFAOYSA-N -1 3 353.369 2.797 20 30 FFEDHM CC(C)[C@@H](CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000451861142 514027750 /nfs/dbraw/zinc/02/77/50/514027750.db2.gz UUZUPUMWQZZNEZ-CJNGLKHVSA-N -1 3 358.891 2.779 20 30 FFEDHM COC(=O)c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[n-]1 ZINC000432007303 514063770 /nfs/dbraw/zinc/06/37/70/514063770.db2.gz MPZXKAAWHAQCNP-UHFFFAOYSA-N -1 3 367.283 2.866 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1F ZINC000427133653 514125750 /nfs/dbraw/zinc/12/57/50/514125750.db2.gz QOPYFVOLBJTDPY-UHFFFAOYSA-N -1 3 363.345 2.522 20 30 FFEDHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc(C#N)c3)cccc21 ZINC000432497122 514211053 /nfs/dbraw/zinc/21/10/53/514211053.db2.gz NUJFYEYOTNAQIU-KRWDZBQOSA-N -1 3 357.435 2.744 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cs1 ZINC000437915285 514267422 /nfs/dbraw/zinc/26/74/22/514267422.db2.gz BENICBBAGGADPX-UHFFFAOYSA-N -1 3 356.812 2.861 20 30 FFEDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C ZINC000424071635 514368897 /nfs/dbraw/zinc/36/88/97/514368897.db2.gz VJOIOVNCKNQLKA-UHFFFAOYSA-N -1 3 361.261 2.796 20 30 FFEDHM CCO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000445001424 514386333 /nfs/dbraw/zinc/38/63/33/514386333.db2.gz ZDYCYUHDKBHOQO-SFHVURJKSA-N -1 3 362.426 2.895 20 30 FFEDHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428414641 514470660 /nfs/dbraw/zinc/47/06/60/514470660.db2.gz QRYLSRYNPXSZNP-BZNIZROVSA-N -1 3 365.842 2.661 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433442217 514494533 /nfs/dbraw/zinc/49/45/33/514494533.db2.gz ZMIYKAQVHXUYMC-HNNXBMFYSA-N -1 3 373.453 2.892 20 30 FFEDHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000445761496 514518359 /nfs/dbraw/zinc/51/83/59/514518359.db2.gz ZUDUDDLJAKIXCK-MRXNPFEDSA-N -1 3 356.875 2.821 20 30 FFEDHM C=CCCN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000466645918 514718979 /nfs/dbraw/zinc/71/89/79/514718979.db2.gz BPUKVCOQGCIWHH-UHFFFAOYSA-N -1 3 370.521 2.936 20 30 FFEDHM COC1CCC(C)(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000471260456 514817381 /nfs/dbraw/zinc/81/73/81/514817381.db2.gz QDRJQVJRNOTADS-UHFFFAOYSA-N -1 3 359.470 2.920 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000476304957 514991422 /nfs/dbraw/zinc/99/14/22/514991422.db2.gz IPCPBCYRHJPSPW-INIZCTEOSA-N -1 3 354.447 2.907 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509203903 515072556 /nfs/dbraw/zinc/07/25/56/515072556.db2.gz TUWBMPDIRSZZCC-VIFPVBQESA-N -1 3 368.680 2.565 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccccc2)c(F)c1 ZINC000481027341 515178166 /nfs/dbraw/zinc/17/81/66/515178166.db2.gz VXDGHMZMDGGJRW-MSOLQXFVSA-N -1 3 360.410 2.647 20 30 FFEDHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000490338888 515180168 /nfs/dbraw/zinc/18/01/68/515180168.db2.gz YMRRUDONHLVZMV-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000481055457 515190153 /nfs/dbraw/zinc/19/01/53/515190153.db2.gz HXLKCLUFDOKNAX-KRWDZBQOSA-N -1 3 366.389 2.644 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)[nH]ccc2=O ZINC000477218622 515373699 /nfs/dbraw/zinc/37/36/99/515373699.db2.gz HWOQNDDOIDZDKD-UHFFFAOYSA-N -1 3 362.389 2.689 20 30 FFEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000472748425 515381248 /nfs/dbraw/zinc/38/12/48/515381248.db2.gz HITWJDYMJFGFCL-UHFFFAOYSA-N -1 3 362.282 2.507 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1C#N ZINC000505608149 515606728 /nfs/dbraw/zinc/60/67/28/515606728.db2.gz JLCBEOHTWGKRGW-MLGOLLRUSA-N -1 3 370.478 2.802 20 30 FFEDHM CCc1cc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)ccc1[O-] ZINC000487065554 515741424 /nfs/dbraw/zinc/74/14/24/515741424.db2.gz MYALISWYWRNKOR-UHFFFAOYSA-N -1 3 350.353 2.825 20 30 FFEDHM N#Cc1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c(Cl)c1 ZINC000494636327 515904300 /nfs/dbraw/zinc/90/43/00/515904300.db2.gz LIKRRIREJRWLNE-UHFFFAOYSA-N -1 3 368.780 2.656 20 30 FFEDHM C=CCCCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000474674419 516148802 /nfs/dbraw/zinc/14/88/02/516148802.db2.gz GKIOINDENOAERQ-UHFFFAOYSA-N -1 3 358.442 2.727 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nc[nH]n2)c1 ZINC000470242113 516182873 /nfs/dbraw/zinc/18/28/73/516182873.db2.gz OZBOOJKAIBUMDV-UHFFFAOYSA-N -1 3 357.370 2.592 20 30 FFEDHM COc1ccc(Sc2nsc([N-]C(=O)c3cnn(C)c3C#N)n2)cc1 ZINC000483727972 516192812 /nfs/dbraw/zinc/19/28/12/516192812.db2.gz OGNZTOWXMGLZQN-UHFFFAOYSA-N -1 3 372.435 2.555 20 30 FFEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000528553958 516527141 /nfs/dbraw/zinc/52/71/41/516527141.db2.gz PRTGUFMHGXEDOQ-LFNDISMMSA-N -1 3 362.373 2.667 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1 ZINC000518065404 516539375 /nfs/dbraw/zinc/53/93/75/516539375.db2.gz ODTHRSYZSHBLDO-UHFFFAOYSA-N -1 3 373.434 2.993 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nn1C1CCOCC1 ZINC000528922501 516798563 /nfs/dbraw/zinc/79/85/63/516798563.db2.gz ZUBKBVWRTDXHEK-KRWDZBQOSA-N -1 3 366.421 2.813 20 30 FFEDHM Cc1ccc2c(CN3CCN(c4nccnc4C#N)C[C@@H]3C)ccc([O-])c2n1 ZINC000514106753 516865465 /nfs/dbraw/zinc/86/54/65/516865465.db2.gz AVTBXZGCEHHTJK-HNNXBMFYSA-N -1 3 374.448 2.621 20 30 FFEDHM C=CCn1c(SCc2ccc(S(=O)(=O)C(C)C)cc2)n[n-]c1=O ZINC000514109966 516866371 /nfs/dbraw/zinc/86/63/71/516866371.db2.gz XNBXMGSLRMSRKA-UHFFFAOYSA-N -1 3 353.469 2.644 20 30 FFEDHM COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000525372133 517021164 /nfs/dbraw/zinc/02/11/64/517021164.db2.gz OVGJZLDLKJOWAL-UHFFFAOYSA-N -1 3 374.418 2.609 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514921769 517123953 /nfs/dbraw/zinc/12/39/53/517123953.db2.gz NVPHJFJSOAZBOM-VIFPVBQESA-N -1 3 351.306 2.584 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC=C(c2cccnc2)C1 ZINC000552273401 517173463 /nfs/dbraw/zinc/17/34/63/517173463.db2.gz IOAQQEZJOXISRS-UHFFFAOYSA-N -1 3 362.433 2.919 20 30 FFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000545353713 517194572 /nfs/dbraw/zinc/19/45/72/517194572.db2.gz UVJPGGNPLUTINR-SNVBAGLBSA-N -1 3 363.233 2.990 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000533095738 517292768 /nfs/dbraw/zinc/29/27/68/517292768.db2.gz VHXKWKIWTMITEG-HNNXBMFYSA-N -1 3 370.858 2.612 20 30 FFEDHM CCc1[nH]nc(C(=O)[N-]c2nc(C)c(SCC#N)s2)c1[N+](=O)[O-] ZINC000549098344 517397816 /nfs/dbraw/zinc/39/78/16/517397816.db2.gz AXCPLJSQMNTSHR-UHFFFAOYSA-N -1 3 352.401 2.513 20 30 FFEDHM CCCCn1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C)n1 ZINC000538012912 517439866 /nfs/dbraw/zinc/43/98/66/517439866.db2.gz WOGKAGTVECZGQN-UHFFFAOYSA-N -1 3 366.874 2.995 20 30 FFEDHM C[C@@H](CCC#N)Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000559982447 517517375 /nfs/dbraw/zinc/51/73/75/517517375.db2.gz FAKTYNWKHRPKSD-VIFPVBQESA-N -1 3 357.439 2.889 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000530152962 517594178 /nfs/dbraw/zinc/59/41/78/517594178.db2.gz HHHMUWRQYQLJMJ-NSHDSACASA-N -1 3 366.361 2.810 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000530157919 517599817 /nfs/dbraw/zinc/59/98/17/517599817.db2.gz YNXAHTDTJKEFLU-CYBMUJFWSA-N -1 3 364.345 2.564 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)c(Cl)c1 ZINC000549524392 517600089 /nfs/dbraw/zinc/60/00/89/517600089.db2.gz LXBBIQLSGVWLMZ-CQSZACIVSA-N -1 3 356.875 2.679 20 30 FFEDHM C[C@@H](c1ccc(-c2ccc([O-])c(C#N)c2)cc1)N1CCN(CCO)CC1 ZINC000527586237 517774893 /nfs/dbraw/zinc/77/48/93/517774893.db2.gz CQWJMAQEQLFYAD-INIZCTEOSA-N -1 3 351.450 2.602 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)CCCC1 ZINC000546769747 517848789 /nfs/dbraw/zinc/84/87/89/517848789.db2.gz VADDZQAYCOIFJF-UHFFFAOYSA-N -1 3 362.480 2.708 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000563528510 517962961 /nfs/dbraw/zinc/96/29/61/517962961.db2.gz AAYHISLZHBWQHF-NRUUGDAUSA-N -1 3 355.257 2.788 20 30 FFEDHM N#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000543314046 518019030 /nfs/dbraw/zinc/01/90/30/518019030.db2.gz WPPUFKVXDBGPNT-UHFFFAOYSA-N -1 3 361.398 2.660 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO[C@H]1C1CC1 ZINC000547340852 518087745 /nfs/dbraw/zinc/08/77/45/518087745.db2.gz YZSVROLAMDUWPB-HOTGVXAUSA-N -1 3 354.859 2.695 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)c1 ZINC000572651460 518294648 /nfs/dbraw/zinc/29/46/48/518294648.db2.gz APDQHLSETQRBIS-UHFFFAOYSA-N -1 3 357.769 2.677 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(C)C)C1(CO)CCCC1 ZINC000572855028 518393681 /nfs/dbraw/zinc/39/36/81/518393681.db2.gz VEEPQPVFIIWWOY-IBGZPJMESA-N -1 3 373.497 2.902 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000581885600 518485754 /nfs/dbraw/zinc/48/57/54/518485754.db2.gz FQOAHLRUSOQGRT-QAPCUYQASA-N -1 3 357.454 2.626 20 30 FFEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000567601710 518607499 /nfs/dbraw/zinc/60/74/99/518607499.db2.gz OYBFJKJOKLLYSJ-JQHSSLGASA-N -1 3 350.484 2.636 20 30 FFEDHM N#CCCCCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000588158781 518738789 /nfs/dbraw/zinc/73/87/89/518738789.db2.gz LDDCGDUVYJSZES-UHFFFAOYSA-N -1 3 353.419 2.679 20 30 FFEDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000582755448 518904370 /nfs/dbraw/zinc/90/43/70/518904370.db2.gz VGXAQVKAJROQND-CYBMUJFWSA-N -1 3 362.838 2.802 20 30 FFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000571360018 519056258 /nfs/dbraw/zinc/05/62/58/519056258.db2.gz OUPZNKGQHJSHDE-NSHDSACASA-N -1 3 354.229 2.578 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)CCCCC2)no1 ZINC000580615670 519266513 /nfs/dbraw/zinc/26/65/13/519266513.db2.gz FDBKHLUTPQNAHN-UHFFFAOYSA-N -1 3 360.439 2.696 20 30 FFEDHM C=CCSc1ccccc1C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000566730979 519626429 /nfs/dbraw/zinc/62/64/29/519626429.db2.gz YZYDDKJLDPENFA-ORAYPTAESA-N -1 3 373.478 2.558 20 30 FFEDHM COc1cc2[n-]cc(C(=O)NCC3CCC(C#N)CC3)c(=O)c2c(OC)c1 ZINC000599897063 519939303 /nfs/dbraw/zinc/93/93/03/519939303.db2.gz VCCFTOFLEUAKCN-UHFFFAOYSA-N -1 3 369.421 2.605 20 30 FFEDHM COc1cc2ncc(C(=O)NCC3CCC(C#N)CC3)c([O-])c2c(OC)c1 ZINC000599897063 519939307 /nfs/dbraw/zinc/93/93/07/519939307.db2.gz VCCFTOFLEUAKCN-UHFFFAOYSA-N -1 3 369.421 2.605 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)c(C)o1 ZINC000594481992 519990364 /nfs/dbraw/zinc/99/03/64/519990364.db2.gz QDFPQSHJFMWPGC-UHFFFAOYSA-N -1 3 374.418 2.604 20 30 FFEDHM C=CCC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)OCC ZINC000599996297 519992398 /nfs/dbraw/zinc/99/23/98/519992398.db2.gz JHRHBRNLLMSSEZ-CYBMUJFWSA-N -1 3 356.216 2.782 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)C(=O)[N-]c2scc(C3CC3)c2C(=O)OC)C1 ZINC000600004001 519996491 /nfs/dbraw/zinc/99/64/91/519996491.db2.gz JWBIBNOWVWICRJ-LLVKDONJSA-N -1 3 362.451 2.775 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c(F)c1 ZINC000616424289 520009561 /nfs/dbraw/zinc/00/95/61/520009561.db2.gz GKKDSWUGTGLCHH-HNNXBMFYSA-N -1 3 366.801 2.904 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000612620429 520054274 /nfs/dbraw/zinc/05/42/74/520054274.db2.gz KTCKAWWVBXAVDJ-LBPRGKRZSA-N -1 3 373.272 2.601 20 30 FFEDHM Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000594668233 520076059 /nfs/dbraw/zinc/07/60/59/520076059.db2.gz ZFAPJDZAEQLHBT-GOSISDBHSA-N -1 3 353.397 2.862 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)CCCC1 ZINC000612678947 520085974 /nfs/dbraw/zinc/08/59/74/520085974.db2.gz NGMZPYVELMSPKJ-UHFFFAOYSA-N -1 3 350.337 2.746 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594724810 520114572 /nfs/dbraw/zinc/11/45/72/520114572.db2.gz XZXNUENKVPUXGC-PXAZEXFGSA-N -1 3 374.422 2.894 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CO)CC(C)C ZINC000594761847 520140660 /nfs/dbraw/zinc/14/06/60/520140660.db2.gz KLHPMCJLSWQXRV-CYBMUJFWSA-N -1 3 352.481 2.767 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCOC[C@@H]1C ZINC000594770840 520147905 /nfs/dbraw/zinc/14/79/05/520147905.db2.gz PLCXTQFTFFZZRU-HZMBPMFUSA-N -1 3 350.465 2.785 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)CCCCO ZINC000594776807 520151370 /nfs/dbraw/zinc/15/13/70/520151370.db2.gz JPIGIPPSSDMSOV-LLVKDONJSA-N -1 3 352.481 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1COCC1(C)C ZINC000594780449 520154698 /nfs/dbraw/zinc/15/46/98/520154698.db2.gz LMHFDPMVNUWRHN-AWEZNQCLSA-N -1 3 350.465 2.785 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594782729 520156161 /nfs/dbraw/zinc/15/61/61/520156161.db2.gz MJIYLPXPPJZARN-CYBMUJFWSA-N -1 3 350.465 2.687 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)c1ccn(C)n1 ZINC000594784393 520156259 /nfs/dbraw/zinc/15/62/59/520156259.db2.gz WQKLJGVBRFQTGT-LLVKDONJSA-N -1 3 360.464 2.854 20 30 FFEDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CC1(C#N)CCCCC1 ZINC000597652156 520158483 /nfs/dbraw/zinc/15/84/83/520158483.db2.gz INLFGNSJFSPWDZ-KGLIPLIRSA-N -1 3 358.442 2.731 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CCOCC1 ZINC000594847538 520186241 /nfs/dbraw/zinc/18/62/41/520186241.db2.gz YNLKKAJLHAQFFY-UHFFFAOYSA-N -1 3 373.858 2.530 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000617039473 520297532 /nfs/dbraw/zinc/29/75/32/520297532.db2.gz HSCAFAXEAIAMTK-PSGMQZRDSA-N -1 3 355.438 2.606 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000609477045 520324813 /nfs/dbraw/zinc/32/48/13/520324813.db2.gz BYJLQIXXIRHARA-NSHDSACASA-N -1 3 351.341 2.888 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 ZINC000592351189 520345896 /nfs/dbraw/zinc/34/58/96/520345896.db2.gz CQKPPIWBSNURNG-KRWDZBQOSA-N -1 3 373.434 2.912 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)nc1n(c2=O)CCC1)c1nc2ccccc2[nH]1 ZINC000613287395 520429430 /nfs/dbraw/zinc/42/94/30/520429430.db2.gz NFMYSDJFUKUVKC-CQSZACIVSA-N -1 3 369.384 2.709 20 30 FFEDHM CCc1csc([C@H](C)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)n1 ZINC000601442405 520787045 /nfs/dbraw/zinc/78/70/45/520787045.db2.gz BJZMLTPPMQIWBP-JTQLQIEISA-N -1 3 353.444 2.897 20 30 FFEDHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000598735698 520817373 /nfs/dbraw/zinc/81/73/73/520817373.db2.gz PTBXGVSCRSBZAF-JTQLQIEISA-N -1 3 370.356 2.715 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(F)c1 ZINC000593276433 520875673 /nfs/dbraw/zinc/87/56/73/520875673.db2.gz QRQGKFPHZPDLLF-OAHLLOKOSA-N -1 3 368.430 2.753 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593282305 520879413 /nfs/dbraw/zinc/87/94/13/520879413.db2.gz ZGHUNHQXWNROKF-IBGZPJMESA-N -1 3 357.454 2.530 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593282306 520879474 /nfs/dbraw/zinc/87/94/74/520879474.db2.gz ZGHUNHQXWNROKF-LJQANCHMSA-N -1 3 357.454 2.530 20 30 FFEDHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000611024244 520950944 /nfs/dbraw/zinc/95/09/44/520950944.db2.gz KWWQJWVQMGAHKC-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000611028894 520953285 /nfs/dbraw/zinc/95/32/85/520953285.db2.gz GGYTWBQGDSBWPH-LLVKDONJSA-N -1 3 361.261 2.818 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000611113772 520992067 /nfs/dbraw/zinc/99/20/67/520992067.db2.gz IQLDXEKDOVXKKB-LLVKDONJSA-N -1 3 366.464 2.904 20 30 FFEDHM CCC(C#N)(CC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000599115913 521039089 /nfs/dbraw/zinc/03/90/89/521039089.db2.gz AXBMNTLZBQGAHR-UHFFFAOYSA-N -1 3 353.444 2.725 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000593555703 521073227 /nfs/dbraw/zinc/07/32/27/521073227.db2.gz COBGIOSZCXFJGV-UHFFFAOYSA-N -1 3 365.436 2.829 20 30 FFEDHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593586841 521092839 /nfs/dbraw/zinc/09/28/39/521092839.db2.gz BTDGTIFCWFLHMK-UHFFFAOYSA-N -1 3 350.465 2.928 20 30 FFEDHM COc1cc2c(cc1F)CC[C@@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000593591427 521096241 /nfs/dbraw/zinc/09/62/41/521096241.db2.gz ICJMTVGZYKHNJF-LBPRGKRZSA-N -1 3 352.412 2.733 20 30 FFEDHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000611539338 521209095 /nfs/dbraw/zinc/20/90/95/521209095.db2.gz SMMIYTJCZOAMBE-WBMJQRKESA-N -1 3 364.854 2.655 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000599466888 521241850 /nfs/dbraw/zinc/24/18/50/521241850.db2.gz DHKHNIFCPFJNFJ-COLVAYQJSA-N -1 3 350.852 2.890 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c(F)c1 ZINC000615449890 521408734 /nfs/dbraw/zinc/40/87/34/521408734.db2.gz PZQFAWBBFWOBLV-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM C=CCCCCCNC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000594257940 521515198 /nfs/dbraw/zinc/51/51/98/521515198.db2.gz UDDTXFBGOPDGBX-UHFFFAOYSA-N -1 3 363.462 2.617 20 30 FFEDHM C=CCCCCCNC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000594257940 521515206 /nfs/dbraw/zinc/51/52/06/521515206.db2.gz UDDTXFBGOPDGBX-UHFFFAOYSA-N -1 3 363.462 2.617 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(CC#N)c3)CCCCCC2)no1 ZINC000619475891 521587986 /nfs/dbraw/zinc/58/79/86/521587986.db2.gz FMOXITJKOWEBNP-UHFFFAOYSA-N -1 3 374.466 2.972 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCc1cc(OC)ncc1Br ZINC000621994115 523205394 /nfs/dbraw/zinc/20/53/94/523205394.db2.gz HGQPUIINKIXBGH-UHFFFAOYSA-N -1 3 357.233 2.628 20 30 FFEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000506207781 561693037 /nfs/dbraw/zinc/69/30/37/561693037.db2.gz GKDMJWFUIABXFL-GOSISDBHSA-N -1 3 355.398 2.672 20 30 FFEDHM CCN(CC)[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)c1cccc(OC)c1 ZINC000610563375 554530092 /nfs/dbraw/zinc/53/00/92/554530092.db2.gz BIAAICAAUXSVRM-KRWDZBQOSA-N -1 3 370.457 2.505 20 30 FFEDHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736193327 598914869 /nfs/dbraw/zinc/91/48/69/598914869.db2.gz OWADDNZUANJHGS-LBPRGKRZSA-N -1 3 364.434 2.999 20 30 FFEDHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736193327 598914871 /nfs/dbraw/zinc/91/48/71/598914871.db2.gz OWADDNZUANJHGS-LBPRGKRZSA-N -1 3 364.434 2.999 20 30 FFEDHM CC(C)(C)c1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000735655454 598916448 /nfs/dbraw/zinc/91/64/48/598916448.db2.gz PLXSPQRKAWNKFL-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM CC(C)(C)c1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000735655454 598916449 /nfs/dbraw/zinc/91/64/49/598916449.db2.gz PLXSPQRKAWNKFL-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)on2)cc1 ZINC000737288936 598916882 /nfs/dbraw/zinc/91/68/82/598916882.db2.gz QMZPRLCOCDHSDT-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)on2)cc1 ZINC000737288936 598916886 /nfs/dbraw/zinc/91/68/86/598916886.db2.gz QMZPRLCOCDHSDT-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc(OC(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737707847 598923492 /nfs/dbraw/zinc/92/34/92/598923492.db2.gz BTHJPOYXSIYEQW-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc(OC(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737707847 598923493 /nfs/dbraw/zinc/92/34/93/598923493.db2.gz BTHJPOYXSIYEQW-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM CC1=NN(c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2)CC1 ZINC000736232056 598925203 /nfs/dbraw/zinc/92/52/03/598925203.db2.gz ZWIMHQGITJGSLN-UHFFFAOYSA-N -1 3 372.392 2.577 20 30 FFEDHM CC1=NN(c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2)CC1 ZINC000736232056 598925205 /nfs/dbraw/zinc/92/52/05/598925205.db2.gz ZWIMHQGITJGSLN-UHFFFAOYSA-N -1 3 372.392 2.577 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(-n3cccc3)c2)ccc1-c1nnn[n-]1 ZINC000737709323 598926980 /nfs/dbraw/zinc/92/69/80/598926980.db2.gz MSXVOVPXGKJNOO-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(-n3cccc3)c2)ccc1-c1nn[n-]n1 ZINC000737709323 598926981 /nfs/dbraw/zinc/92/69/81/598926981.db2.gz MSXVOVPXGKJNOO-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM N#Cc1ccc(CN(c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)cc1 ZINC000737712484 598940468 /nfs/dbraw/zinc/94/04/68/598940468.db2.gz QMLOLIXVCOLZPQ-UHFFFAOYSA-N -1 3 351.801 2.956 20 30 FFEDHM N#Cc1ccc(CN(c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)cc1 ZINC000737712484 598940470 /nfs/dbraw/zinc/94/04/70/598940470.db2.gz QMLOLIXVCOLZPQ-UHFFFAOYSA-N -1 3 351.801 2.956 20 30 FFEDHM N#CC1(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCC1 ZINC000737678093 599025736 /nfs/dbraw/zinc/02/57/36/599025736.db2.gz GRTZQQLQKCOGII-UHFFFAOYSA-N -1 3 374.404 2.622 20 30 FFEDHM N#CC1(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CCC1 ZINC000737678093 599025738 /nfs/dbraw/zinc/02/57/38/599025738.db2.gz GRTZQQLQKCOGII-UHFFFAOYSA-N -1 3 374.404 2.622 20 30 FFEDHM C#CCCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819692376 599192183 /nfs/dbraw/zinc/19/21/83/599192183.db2.gz DZGKLHBBNGJGLA-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM C#CCCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819692376 599192186 /nfs/dbraw/zinc/19/21/86/599192186.db2.gz DZGKLHBBNGJGLA-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccnc3ccccc23)cc1-c1nnn[n-]1 ZINC000737715907 599192357 /nfs/dbraw/zinc/19/23/57/599192357.db2.gz HRCXSGSEHQAQMF-VURMDHGXSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccnc3ccccc23)cc1-c1nn[n-]n1 ZINC000737715907 599192359 /nfs/dbraw/zinc/19/23/59/599192359.db2.gz HRCXSGSEHQAQMF-VURMDHGXSA-N -1 3 367.372 2.938 20 30 FFEDHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737352718 599193909 /nfs/dbraw/zinc/19/39/09/599193909.db2.gz RJXQRTFJDBJOHG-UHFFFAOYSA-N -1 3 373.420 2.899 20 30 FFEDHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737352718 599193912 /nfs/dbraw/zinc/19/39/12/599193912.db2.gz RJXQRTFJDBJOHG-UHFFFAOYSA-N -1 3 373.420 2.899 20 30 FFEDHM COc1cccc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)oc21 ZINC000737143683 599199693 /nfs/dbraw/zinc/19/96/93/599199693.db2.gz TVZZPXISKKJPCS-UHFFFAOYSA-N -1 3 360.333 2.745 20 30 FFEDHM COc1cccc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)oc21 ZINC000737143683 599199696 /nfs/dbraw/zinc/19/96/96/599199696.db2.gz TVZZPXISKKJPCS-UHFFFAOYSA-N -1 3 360.333 2.745 20 30 FFEDHM C[C@H](C#N)COC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819856358 607323082 /nfs/dbraw/zinc/32/30/82/607323082.db2.gz JEUBWSNGTYAHHD-CYBMUJFWSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@H](C#N)COC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819856358 607323083 /nfs/dbraw/zinc/32/30/83/607323083.db2.gz JEUBWSNGTYAHHD-CYBMUJFWSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@@H](C#N)CNN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819857558 607325389 /nfs/dbraw/zinc/32/53/89/607325389.db2.gz SKGZJSDPPSUXMB-AWEZNQCLSA-N -1 3 361.409 2.529 20 30 FFEDHM C[C@@H](C#N)CNN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819857558 607325390 /nfs/dbraw/zinc/32/53/90/607325390.db2.gz SKGZJSDPPSUXMB-AWEZNQCLSA-N -1 3 361.409 2.529 20 30 FFEDHM FC(F)(F)c1cc(NN=Cc2cn3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000737631526 598314625 /nfs/dbraw/zinc/31/46/25/598314625.db2.gz GCFGQJBXNXFIEV-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM FC(F)(F)c1cc(NN=Cc2cn3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000737631526 598314627 /nfs/dbraw/zinc/31/46/27/598314627.db2.gz GCFGQJBXNXFIEV-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000737673718 598383350 /nfs/dbraw/zinc/38/33/50/598383350.db2.gz CNCOCVLNZLUMAG-OJXHRBAXSA-N -1 3 364.796 2.914 20 30 FFEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000737673718 598383352 /nfs/dbraw/zinc/38/33/52/598383352.db2.gz CNCOCVLNZLUMAG-OJXHRBAXSA-N -1 3 364.796 2.914 20 30 FFEDHM C#CCOc1cccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735381541 598413930 /nfs/dbraw/zinc/41/39/30/598413930.db2.gz VKFYDBBIIDDXTQ-UHFFFAOYSA-N -1 3 362.389 2.555 20 30 FFEDHM C#CCOc1cccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381541 598413932 /nfs/dbraw/zinc/41/39/32/598413932.db2.gz VKFYDBBIIDDXTQ-UHFFFAOYSA-N -1 3 362.389 2.555 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cccnc1 ZINC000735418465 598515590 /nfs/dbraw/zinc/51/55/90/598515590.db2.gz FKMNFQAKEGWFOI-AWEZNQCLSA-N -1 3 363.425 2.721 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cccnc1 ZINC000735418465 598515592 /nfs/dbraw/zinc/51/55/92/598515592.db2.gz FKMNFQAKEGWFOI-AWEZNQCLSA-N -1 3 363.425 2.721 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735977625 598554962 /nfs/dbraw/zinc/55/49/62/598554962.db2.gz VZOHIYAJYJWGRX-LLVKDONJSA-N -1 3 365.422 2.908 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735977625 598554964 /nfs/dbraw/zinc/55/49/64/598554964.db2.gz VZOHIYAJYJWGRX-LLVKDONJSA-N -1 3 365.422 2.908 20 30 FFEDHM N#Cc1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737708630 598586398 /nfs/dbraw/zinc/58/63/98/598586398.db2.gz HOAFVWUYCLQTQI-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737708630 598586400 /nfs/dbraw/zinc/58/64/00/598586400.db2.gz HOAFVWUYCLQTQI-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM COc1c(O)cccc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737026439 598639149 /nfs/dbraw/zinc/63/91/49/598639149.db2.gz SPKPAMFUHNJSMJ-CMDGGOBGSA-N -1 3 365.393 2.533 20 30 FFEDHM COc1c(O)cccc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737026439 598639151 /nfs/dbraw/zinc/63/91/51/598639151.db2.gz SPKPAMFUHNJSMJ-CMDGGOBGSA-N -1 3 365.393 2.533 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncoc1C(C)C ZINC000735419887 598655906 /nfs/dbraw/zinc/65/59/06/598655906.db2.gz JDRFCVOXVGSFDR-UHFFFAOYSA-N -1 3 352.398 2.807 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncoc1C(C)C ZINC000735419887 598655907 /nfs/dbraw/zinc/65/59/07/598655907.db2.gz JDRFCVOXVGSFDR-UHFFFAOYSA-N -1 3 352.398 2.807 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000737292206 598657090 /nfs/dbraw/zinc/65/70/90/598657090.db2.gz UBYXVBYZTPWWFA-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000737292206 598657091 /nfs/dbraw/zinc/65/70/91/598657091.db2.gz UBYXVBYZTPWWFA-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM N#Cc1cn(Cc2ccccc2-c2nnn[n-]2)c2ccc(Cl)cc2c1=O ZINC000737727816 598721071 /nfs/dbraw/zinc/72/10/71/598721071.db2.gz CBYABIQMXDDFJX-UHFFFAOYSA-N -1 3 362.780 2.755 20 30 FFEDHM N#Cc1cn(Cc2ccccc2-c2nn[n-]n2)c2ccc(Cl)cc2c1=O ZINC000737727816 598721073 /nfs/dbraw/zinc/72/10/73/598721073.db2.gz CBYABIQMXDDFJX-UHFFFAOYSA-N -1 3 362.780 2.755 20 30 FFEDHM N#Cc1ccc(-c2ccn(CCOc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737708506 598723321 /nfs/dbraw/zinc/72/33/21/598723321.db2.gz DMGORQBENRSKJK-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cnc(C)s1 ZINC000735418803 598762506 /nfs/dbraw/zinc/76/25/06/598762506.db2.gz JEQGNCNMZFDTGD-FPLPWBNLSA-N -1 3 366.450 2.860 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cnc(C)s1 ZINC000735418803 598762507 /nfs/dbraw/zinc/76/25/07/598762507.db2.gz JEQGNCNMZFDTGD-FPLPWBNLSA-N -1 3 366.450 2.860 20 30 FFEDHM N#CCn1c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000737696810 598822014 /nfs/dbraw/zinc/82/20/14/598822014.db2.gz AITXXJVPFHNHPD-UHFFFAOYSA-N -1 3 361.340 2.736 20 30 FFEDHM N#CCn1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000737696810 598822015 /nfs/dbraw/zinc/82/20/15/598822015.db2.gz AITXXJVPFHNHPD-UHFFFAOYSA-N -1 3 361.340 2.736 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(OC)c(-c3nnn[n-]3)c2)SC1=S ZINC000819722704 599310515 /nfs/dbraw/zinc/31/05/15/599310515.db2.gz OVGJKBGOWZWSND-QPEQYQDCSA-N -1 3 373.463 2.653 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(OC)c(-c3nn[n-]n3)c2)SC1=S ZINC000819722704 599310516 /nfs/dbraw/zinc/31/05/16/599310516.db2.gz OVGJKBGOWZWSND-QPEQYQDCSA-N -1 3 373.463 2.653 20 30 FFEDHM C=C(Cl)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735402142 599389753 /nfs/dbraw/zinc/38/97/53/599389753.db2.gz JLDQSZBFOGXVIN-UHFFFAOYSA-N -1 3 356.773 2.536 20 30 FFEDHM C=C(Cl)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735402142 599389754 /nfs/dbraw/zinc/38/97/54/599389754.db2.gz JLDQSZBFOGXVIN-UHFFFAOYSA-N -1 3 356.773 2.536 20 30 FFEDHM CCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000736635377 599459702 /nfs/dbraw/zinc/45/97/02/599459702.db2.gz BCUNYKADSHRQRP-TWGQIWQCSA-N -1 3 360.377 2.809 20 30 FFEDHM CCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000736635377 599459705 /nfs/dbraw/zinc/45/97/05/599459705.db2.gz BCUNYKADSHRQRP-TWGQIWQCSA-N -1 3 360.377 2.809 20 30 FFEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CO2 ZINC000737248676 599462938 /nfs/dbraw/zinc/46/29/38/599462938.db2.gz JVMNOAWKKGITGL-AUWJEWJLSA-N -1 3 372.388 2.790 20 30 FFEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CO2 ZINC000737248676 599462941 /nfs/dbraw/zinc/46/29/41/599462941.db2.gz JVMNOAWKKGITGL-AUWJEWJLSA-N -1 3 372.388 2.790 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348337 599476172 /nfs/dbraw/zinc/47/61/72/599476172.db2.gz BLCDKDUGRKKYIY-QWHCGFSZSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348337 599476175 /nfs/dbraw/zinc/47/61/75/599476175.db2.gz BLCDKDUGRKKYIY-QWHCGFSZSA-N -1 3 361.409 2.860 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2nccn2c1 ZINC000735421084 599610990 /nfs/dbraw/zinc/61/09/90/599610990.db2.gz XJZJWPBLBFQALN-UHFFFAOYSA-N -1 3 374.408 2.735 20 30 FFEDHM CC(C)CCN(CCC#N)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820076301 599639969 /nfs/dbraw/zinc/63/99/69/599639969.db2.gz FXPYSLNKSJNFDG-UHFFFAOYSA-N -1 3 366.429 2.678 20 30 FFEDHM CC(C)CCN(CCC#N)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820076301 599639970 /nfs/dbraw/zinc/63/99/70/599639970.db2.gz FXPYSLNKSJNFDG-UHFFFAOYSA-N -1 3 366.429 2.678 20 30 FFEDHM C=CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000819734810 599674518 /nfs/dbraw/zinc/67/45/18/599674518.db2.gz ULAGLQXMSWBNHF-GUYCJALGSA-N -1 3 363.425 2.939 20 30 FFEDHM C=CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000819734810 599674519 /nfs/dbraw/zinc/67/45/19/599674519.db2.gz ULAGLQXMSWBNHF-GUYCJALGSA-N -1 3 363.425 2.939 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826257320 607414000 /nfs/dbraw/zinc/41/40/00/607414000.db2.gz XJLXHYNYMVGXEP-CYBMUJFWSA-N -1 3 363.377 2.558 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826257320 607414001 /nfs/dbraw/zinc/41/40/01/607414001.db2.gz XJLXHYNYMVGXEP-CYBMUJFWSA-N -1 3 363.377 2.558 20 30 FFEDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826316188 607432383 /nfs/dbraw/zinc/43/23/83/607432383.db2.gz GUKKKORJAXPLAI-KGLIPLIRSA-N -1 3 350.407 2.851 20 30 FFEDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826316188 607432384 /nfs/dbraw/zinc/43/23/84/607432384.db2.gz GUKKKORJAXPLAI-KGLIPLIRSA-N -1 3 350.407 2.851 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821708674 607459558 /nfs/dbraw/zinc/45/95/58/607459558.db2.gz VWZQTUNYQJDDOY-QPEQYQDCSA-N -1 3 366.352 2.982 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821708674 607459559 /nfs/dbraw/zinc/45/95/59/607459559.db2.gz VWZQTUNYQJDDOY-QPEQYQDCSA-N -1 3 366.352 2.982 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC(C)(C)C(C)=O ZINC000823909420 607508273 /nfs/dbraw/zinc/50/82/73/607508273.db2.gz CTCVBVPRFIPHKC-UHFFFAOYSA-N -1 3 355.442 2.777 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC(C)(C)C(C)=O ZINC000823909420 607508274 /nfs/dbraw/zinc/50/82/74/607508274.db2.gz CTCVBVPRFIPHKC-UHFFFAOYSA-N -1 3 355.442 2.777 20 30 FFEDHM CN(CC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)[O-] ZINC000739618301 602622943 /nfs/dbraw/zinc/62/29/43/602622943.db2.gz ZLMGHBFITVHSSE-MRVPVSSYSA-N -1 3 351.334 2.874 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])CC1 ZINC000823480831 603993414 /nfs/dbraw/zinc/99/34/14/603993414.db2.gz PKDOTMGBJQXQLV-UHFFFAOYSA-N -1 3 358.442 2.889 20 30 FFEDHM CC1(C)CN(C(=O)[O-])CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000825728833 604096112 /nfs/dbraw/zinc/09/61/12/604096112.db2.gz BXFVXUILKNRLFY-GFCCVEGCSA-N -1 3 372.450 2.547 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000826249412 607683578 /nfs/dbraw/zinc/68/35/78/607683578.db2.gz BKMTWSFESXUCDZ-UHFFFAOYSA-N -1 3 370.319 2.901 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000826249412 607683580 /nfs/dbraw/zinc/68/35/80/607683580.db2.gz BKMTWSFESXUCDZ-UHFFFAOYSA-N -1 3 370.319 2.901 20 30 FFEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000833420586 604945729 /nfs/dbraw/zinc/94/57/29/604945729.db2.gz UWVOZIICPOHPJJ-OAHLLOKOSA-N -1 3 354.410 2.931 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820219448 606272262 /nfs/dbraw/zinc/27/22/62/606272262.db2.gz GVEMLXFOEUWZPH-JTQLQIEISA-N -1 3 353.411 2.841 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820219448 606272264 /nfs/dbraw/zinc/27/22/64/606272264.db2.gz GVEMLXFOEUWZPH-JTQLQIEISA-N -1 3 353.411 2.841 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819759402 606353640 /nfs/dbraw/zinc/35/36/40/606353640.db2.gz WMLRZINLUHLQJW-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819759402 606353643 /nfs/dbraw/zinc/35/36/43/606353643.db2.gz WMLRZINLUHLQJW-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM N#Cc1c2c(sc1NC(=O)Cc1cccc(-c3nnn[n-]3)c1)CCCC2 ZINC000822819610 606489820 /nfs/dbraw/zinc/48/98/20/606489820.db2.gz YBOJAAZKQYDVEF-UHFFFAOYSA-N -1 3 364.434 2.860 20 30 FFEDHM N#Cc1c2c(sc1NC(=O)Cc1cccc(-c3nn[n-]n3)c1)CCCC2 ZINC000822819610 606489821 /nfs/dbraw/zinc/48/98/21/606489821.db2.gz YBOJAAZKQYDVEF-UHFFFAOYSA-N -1 3 364.434 2.860 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822833703 606506621 /nfs/dbraw/zinc/50/66/21/606506621.db2.gz VCFNNKOMCMLHEG-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822833703 606506623 /nfs/dbraw/zinc/50/66/23/606506623.db2.gz VCFNNKOMCMLHEG-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM COc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821702998 606588957 /nfs/dbraw/zinc/58/89/57/606588957.db2.gz JZMSUIVFRVVTCO-UHFFFAOYSA-N -1 3 373.319 2.927 20 30 FFEDHM COc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821702998 606588959 /nfs/dbraw/zinc/58/89/59/606588959.db2.gz JZMSUIVFRVVTCO-UHFFFAOYSA-N -1 3 373.319 2.927 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(CCOC)CCC1 ZINC000819743839 606718238 /nfs/dbraw/zinc/71/82/38/606718238.db2.gz QVUYPOAGANMLRO-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(CCOC)CCC1 ZINC000819743839 606718240 /nfs/dbraw/zinc/71/82/40/606718240.db2.gz QVUYPOAGANMLRO-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC(C)(C)C#N)cc1 ZINC000822136953 606791101 /nfs/dbraw/zinc/79/11/01/606791101.db2.gz QTPDGLOMMVEWRV-UHFFFAOYSA-N -1 3 362.393 2.999 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC(C)(C)C#N)cc1 ZINC000822136953 606791103 /nfs/dbraw/zinc/79/11/03/606791103.db2.gz QTPDGLOMMVEWRV-UHFFFAOYSA-N -1 3 362.393 2.999 20 30 FFEDHM N#Cc1ccc(CCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822825402 606994077 /nfs/dbraw/zinc/99/40/77/606994077.db2.gz DIZFLXWAJXNTOW-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1ccc(CCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822825402 606994079 /nfs/dbraw/zinc/99/40/79/606994079.db2.gz DIZFLXWAJXNTOW-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000820577115 607022816 /nfs/dbraw/zinc/02/28/16/607022816.db2.gz KOPYMSUJPAYLDW-BJMVGYQFSA-N -1 3 359.389 2.993 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000820577115 607022817 /nfs/dbraw/zinc/02/28/17/607022817.db2.gz KOPYMSUJPAYLDW-BJMVGYQFSA-N -1 3 359.389 2.993 20 30 FFEDHM N#CCc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822814191 607125089 /nfs/dbraw/zinc/12/50/89/607125089.db2.gz CDYQDEUXTQFANJ-UHFFFAOYSA-N -1 3 367.800 2.637 20 30 FFEDHM c1[nH]c2ccc(-c3nnn[n-]3)cc2c1CN=Nc1cnc2ccccc2n1 ZINC000819718269 607147955 /nfs/dbraw/zinc/14/79/55/607147955.db2.gz CWRKQKJZVJFMOM-UHFFFAOYSA-N -1 3 355.365 2.737 20 30 FFEDHM c1[nH]c2ccc(-c3nn[n-]n3)cc2c1CN=Nc1cnc2ccccc2n1 ZINC000819718269 607147958 /nfs/dbraw/zinc/14/79/58/607147958.db2.gz CWRKQKJZVJFMOM-UHFFFAOYSA-N -1 3 355.365 2.737 20 30 FFEDHM Cc1nc(Cl)cc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)n1 ZINC000822449794 607148816 /nfs/dbraw/zinc/14/88/16/607148816.db2.gz PBJBKWWXHHTPCE-UHFFFAOYSA-N -1 3 353.777 2.546 20 30 FFEDHM Cc1nc(Cl)cc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)n1 ZINC000822449794 607148817 /nfs/dbraw/zinc/14/88/17/607148817.db2.gz PBJBKWWXHHTPCE-UHFFFAOYSA-N -1 3 353.777 2.546 20 30 FFEDHM COc1cc(F)cc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000821720137 607149201 /nfs/dbraw/zinc/14/92/01/607149201.db2.gz NIKAJMJGRPVDTM-UHFFFAOYSA-N -1 3 351.345 2.942 20 30 FFEDHM COc1cc(F)cc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000821720137 607149203 /nfs/dbraw/zinc/14/92/03/607149203.db2.gz NIKAJMJGRPVDTM-UHFFFAOYSA-N -1 3 351.345 2.942 20 30 FFEDHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1ccccc1-c1nnn[n-]1 ZINC000826483445 607883199 /nfs/dbraw/zinc/88/31/99/607883199.db2.gz NTOXMELYAVZGFD-UHFFFAOYSA-N -1 3 368.356 2.650 20 30 FFEDHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1ccccc1-c1nn[n-]n1 ZINC000826483445 607883200 /nfs/dbraw/zinc/88/32/00/607883200.db2.gz NTOXMELYAVZGFD-UHFFFAOYSA-N -1 3 368.356 2.650 20 30 FFEDHM COCC#CCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000826147081 607958402 /nfs/dbraw/zinc/95/84/02/607958402.db2.gz MYUUTSRSTXZTCH-UHFFFAOYSA-N -1 3 365.412 2.658 20 30 FFEDHM C#CC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000823838240 607959778 /nfs/dbraw/zinc/95/97/78/607959778.db2.gz MPPGRQAWXDNLJL-SFHVURJKSA-N -1 3 372.432 2.920 20 30 FFEDHM C#CC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000823838240 607959779 /nfs/dbraw/zinc/95/97/79/607959779.db2.gz MPPGRQAWXDNLJL-SFHVURJKSA-N -1 3 372.432 2.920 20 30 FFEDHM Brc1cncc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000823832515 607964625 /nfs/dbraw/zinc/96/46/25/607964625.db2.gz PQWFEBLVDZNWMV-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)ncn3C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234323 608047801 /nfs/dbraw/zinc/04/78/01/608047801.db2.gz QQXJXDXCCMQALB-SOFGYWHQSA-N -1 3 373.420 2.706 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)ncn3C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234323 608047802 /nfs/dbraw/zinc/04/78/02/608047802.db2.gz QQXJXDXCCMQALB-SOFGYWHQSA-N -1 3 373.420 2.706 20 30 FFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000823862124 608184733 /nfs/dbraw/zinc/18/47/33/608184733.db2.gz XRXJKFXFAQSPAK-NSHDSACASA-N -1 3 354.391 2.858 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)CSC ZINC000823910101 608537879 /nfs/dbraw/zinc/53/78/79/608537879.db2.gz XIBVXRAYZQTRNJ-OAHLLOKOSA-N -1 3 360.487 2.706 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC)CSC ZINC000823910101 608537880 /nfs/dbraw/zinc/53/78/80/608537880.db2.gz XIBVXRAYZQTRNJ-OAHLLOKOSA-N -1 3 360.487 2.706 20 30 FFEDHM Cc1cn2c(C=NNc3cc(-c4nn[n-]n4)cc(Cl)n3)c(C)nc2s1 ZINC000826316952 608542765 /nfs/dbraw/zinc/54/27/65/608542765.db2.gz GGXRTGGSLPTJOR-UHFFFAOYSA-N -1 3 373.833 2.687 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826178681 608873610 /nfs/dbraw/zinc/87/36/10/608873610.db2.gz IBJYIWGHAVDISJ-OQFOIZHKSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826178681 608873611 /nfs/dbraw/zinc/87/36/11/608873611.db2.gz IBJYIWGHAVDISJ-OQFOIZHKSA-N -1 3 351.322 2.680 20 30 FFEDHM CN(C(=O)OC(C)(C)C)C(C)(C)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825820376 608882270 /nfs/dbraw/zinc/88/22/70/608882270.db2.gz CCNSHDRPHKBZJG-UHFFFAOYSA-N -1 3 359.434 2.910 20 30 FFEDHM CN(C(=O)OC(C)(C)C)C(C)(C)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825820376 608882273 /nfs/dbraw/zinc/88/22/73/608882273.db2.gz CCNSHDRPHKBZJG-UHFFFAOYSA-N -1 3 359.434 2.910 20 30 FFEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000823962099 609276110 /nfs/dbraw/zinc/27/61/10/609276110.db2.gz FAEPFKSSRFNMCV-UHFFFAOYSA-N -1 3 354.349 2.825 20 30 FFEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000823962099 609276112 /nfs/dbraw/zinc/27/61/12/609276112.db2.gz FAEPFKSSRFNMCV-UHFFFAOYSA-N -1 3 354.349 2.825 20 30 FFEDHM COc1cccc(NN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826216902 609304206 /nfs/dbraw/zinc/30/42/06/609304206.db2.gz RGNOIVJOOSJFPL-UHFFFAOYSA-N -1 3 374.408 2.722 20 30 FFEDHM COc1cccc(NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826216902 609304208 /nfs/dbraw/zinc/30/42/08/609304208.db2.gz RGNOIVJOOSJFPL-UHFFFAOYSA-N -1 3 374.408 2.722 20 30 FFEDHM COc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1OC ZINC000826214979 609474230 /nfs/dbraw/zinc/47/42/30/609474230.db2.gz CJMPXQCPTUJGHD-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM COc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1OC ZINC000826214979 609474232 /nfs/dbraw/zinc/47/42/32/609474232.db2.gz CJMPXQCPTUJGHD-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(C#N)c1 ZINC000826161803 609482846 /nfs/dbraw/zinc/48/28/46/609482846.db2.gz ATPPBNFMSIENLW-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(C#N)c1 ZINC000826161803 609482849 /nfs/dbraw/zinc/48/28/49/609482849.db2.gz ATPPBNFMSIENLW-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM C#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823841434 609596851 /nfs/dbraw/zinc/59/68/51/609596851.db2.gz NJFIUZAPGLPGGN-UHFFFAOYSA-N -1 3 362.777 2.951 20 30 FFEDHM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823841434 609596853 /nfs/dbraw/zinc/59/68/53/609596853.db2.gz NJFIUZAPGLPGGN-UHFFFAOYSA-N -1 3 362.777 2.951 20 30 FFEDHM N#CCc1ccccc1CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826382838 609618965 /nfs/dbraw/zinc/61/89/65/609618965.db2.gz XJXVGINAYJBWMA-UHFFFAOYSA-N -1 3 367.796 2.872 20 30 FFEDHM N#CCc1ccccc1CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826382838 609618967 /nfs/dbraw/zinc/61/89/67/609618967.db2.gz XJXVGINAYJBWMA-UHFFFAOYSA-N -1 3 367.796 2.872 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CCC)C2)ccc1F ZINC000155348961 728826116 /nfs/dbraw/zinc/82/61/16/728826116.db2.gz NGEGPZJROFASSH-CQSZACIVSA-N -1 3 368.474 2.942 20 30 FFEDHM N#Cc1ccc2c(c1)CCCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449253 735298499 /nfs/dbraw/zinc/29/84/99/735298499.db2.gz SQQYCJNEASMGHW-UHFFFAOYSA-N -1 3 353.447 2.761 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1CCC1 ZINC000744199468 735338273 /nfs/dbraw/zinc/33/82/73/735338273.db2.gz WAKLIOSTGHNZFD-OAHLLOKOSA-N -1 3 364.467 2.627 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC)ccc1F ZINC000045264450 727999718 /nfs/dbraw/zinc/99/97/18/727999718.db2.gz JUBJMWDXCMUGOI-UHFFFAOYSA-N -1 3 364.398 2.551 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(Br)n1 ZINC000135242084 728736757 /nfs/dbraw/zinc/73/67/57/728736757.db2.gz GNRDGRPFPJQZBY-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM O=S(=O)(C(F)F)N1CCC(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000171989275 729017685 /nfs/dbraw/zinc/01/76/85/729017685.db2.gz RVKUGSLXVGBSIL-GIJQJNRQSA-N -1 3 366.817 2.729 20 30 FFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000859426073 730454415 /nfs/dbraw/zinc/45/44/15/730454415.db2.gz NMJIITNZFGMTGX-JTQLQIEISA-N -1 3 366.302 2.526 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1C[C@]1(C)Br ZINC000861322986 730597453 /nfs/dbraw/zinc/59/74/53/730597453.db2.gz UTDAUEUENVECJN-BZNIZROVSA-N -1 3 367.243 2.925 20 30 FFEDHM CC(C)C(CS(=O)(=O)N(C)C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863125131 730751373 /nfs/dbraw/zinc/75/13/73/730751373.db2.gz NRYMWZMQFBMSEP-UHFFFAOYSA-N -1 3 367.500 2.608 20 30 FFEDHM N#Cc1cccc(Br)c1NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866289312 731046818 /nfs/dbraw/zinc/04/68/18/731046818.db2.gz ZCEJOSPPLFHSNK-UHFFFAOYSA-N -1 3 361.199 2.501 20 30 FFEDHM C#CCC1(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CCOCC1 ZINC000925419165 738505575 /nfs/dbraw/zinc/50/55/75/738505575.db2.gz BRPNXQRCRQRMAY-UHFFFAOYSA-N -1 3 365.455 2.792 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1OC ZINC000780306468 738532158 /nfs/dbraw/zinc/53/21/58/738532158.db2.gz WIXBIXRMCHJQTJ-NSHDSACASA-N -1 3 359.769 2.713 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000657149531 731739076 /nfs/dbraw/zinc/73/90/76/731739076.db2.gz MUFAWKJQRDYISR-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM O=C(Nc1cccc(C2SCCS2)c1)N[C@H]1CCCN([O-])C1=O ZINC000878086791 732480432 /nfs/dbraw/zinc/48/04/32/732480432.db2.gz BNYBDHVNHVISMA-LBPRGKRZSA-N -1 3 353.469 2.667 20 30 FFEDHM CCc1cc(Br)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878952761 732621396 /nfs/dbraw/zinc/62/13/96/732621396.db2.gz FRIWRPQXVCULJV-LBPRGKRZSA-N -1 3 356.220 2.513 20 30 FFEDHM CC(C)CCn1ncc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1C(C)C ZINC000879370350 732691817 /nfs/dbraw/zinc/69/18/17/732691817.db2.gz AGSOTNWTHHRYPG-CYBMUJFWSA-N -1 3 351.451 2.554 20 30 FFEDHM C[C@H](Oc1ccccc1NC(=O)N[C@H]1CCCN([O-])C1=O)C(F)(F)F ZINC000879588459 732729659 /nfs/dbraw/zinc/72/96/59/732729659.db2.gz PMEUKFMNTKIPGP-ONGXEEELSA-N -1 3 361.320 2.518 20 30 FFEDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(CCC#N)cc2)o1 ZINC000885031753 733613691 /nfs/dbraw/zinc/61/36/91/733613691.db2.gz NYXXYIISEUWVRS-QGZVFWFLSA-N -1 3 362.451 2.964 20 30 FFEDHM CN1CCOc2cc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)ccc21 ZINC000886410011 733785591 /nfs/dbraw/zinc/78/55/91/733785591.db2.gz XQSIVTJLDSHFBK-UHFFFAOYSA-N -1 3 357.435 2.772 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000730732149 734646381 /nfs/dbraw/zinc/64/63/81/734646381.db2.gz CXMIVPRVDSTURB-FAXWQTKOSA-N -1 3 354.328 2.759 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)ccc1F ZINC000733116147 734791449 /nfs/dbraw/zinc/79/14/49/734791449.db2.gz ZLMLVQHNXVHHHE-XJKCOSOUSA-N -1 3 368.474 2.845 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)C(C)(C)C)ccc1F ZINC000734335086 734890294 /nfs/dbraw/zinc/89/02/94/734890294.db2.gz DMYPHANPXXIBOQ-GFCCVEGCSA-N -1 3 356.463 2.702 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000734366494 734891796 /nfs/dbraw/zinc/89/17/96/734891796.db2.gz UMWGALQRZAZWIS-ODGHKMFZSA-N -1 3 351.447 2.556 20 30 FFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000735082291 734927959 /nfs/dbraw/zinc/92/79/59/734927959.db2.gz JQKNVUJRVKWLQX-QMMMGPOBSA-N -1 3 352.225 2.840 20 30 FFEDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1C#N ZINC000736193843 734978112 /nfs/dbraw/zinc/97/81/12/734978112.db2.gz UILHVNVTGLARFM-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1C#N ZINC000736193843 734978115 /nfs/dbraw/zinc/97/81/15/734978115.db2.gz UILHVNVTGLARFM-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](CC)C2)ccc1F ZINC000740797081 735088145 /nfs/dbraw/zinc/08/81/45/735088145.db2.gz GDYNNWRMMYNCKM-ZFWWWQNUSA-N -1 3 368.474 2.989 20 30 FFEDHM N#Cc1ccc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(Br)c1 ZINC000897348360 735223135 /nfs/dbraw/zinc/22/31/35/735223135.db2.gz DHIIEAHDYHWYDV-NSHDSACASA-N -1 3 360.215 2.507 20 30 FFEDHM NC(=O)c1ccccc1NCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096227 735600750 /nfs/dbraw/zinc/60/07/50/735600750.db2.gz WGWHNNPBLZIUHP-UHFFFAOYSA-N -1 3 368.220 2.922 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(O)c2)ccc1F ZINC000747946255 735604640 /nfs/dbraw/zinc/60/46/40/735604640.db2.gz HKXKDSFGFOCBGL-UHFFFAOYSA-N -1 3 364.398 2.556 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H](C)C(F)(F)F)ccc1F ZINC000748237263 735629136 /nfs/dbraw/zinc/62/91/36/735629136.db2.gz CELZYKJALJGJBM-VIFPVBQESA-N -1 3 369.336 2.645 20 30 FFEDHM N#Cc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)s1 ZINC000748781343 735670952 /nfs/dbraw/zinc/67/09/52/735670952.db2.gz VNPPGKLKWDIJQI-AWEZNQCLSA-N -1 3 369.431 2.895 20 30 FFEDHM N#Cc1ccc(CNC(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000751729991 735912700 /nfs/dbraw/zinc/91/27/00/735912700.db2.gz FHMFTCVATKBUNJ-UHFFFAOYSA-N -1 3 362.744 2.530 20 30 FFEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000752160782 735962015 /nfs/dbraw/zinc/96/20/15/735962015.db2.gz MHQWRORAJGXSBU-NSHDSACASA-N -1 3 359.769 2.713 20 30 FFEDHM Cc1cccc(C)c1OCC1N=NC(=S)N1N=Cc1ccc([O-])cn1 ZINC000755617586 736265817 /nfs/dbraw/zinc/26/58/17/736265817.db2.gz PLUBLPZHHJIGAL-UHFFFAOYSA-N -1 3 355.423 2.745 20 30 FFEDHM CC(N=Nc1ccc(-n2cccn2)nn1)c1ccc(Br)cc1[O-] ZINC000756825698 736364522 /nfs/dbraw/zinc/36/45/22/736364522.db2.gz JFVQLUPVYWRKLC-UHFFFAOYSA-N -1 3 373.214 2.967 20 30 FFEDHM O=C(C#Cc1ccccc1)Nc1cc(I)ccc1[O-] ZINC000759707068 736587774 /nfs/dbraw/zinc/58/77/74/736587774.db2.gz DWZFKQHUAVQKEJ-UHFFFAOYSA-N -1 3 363.154 2.987 20 30 FFEDHM COc1ccc(CN=Nc2ncccc2[N+](=O)[O-])c(Br)c1[O-] ZINC000761014523 736688343 /nfs/dbraw/zinc/68/83/43/736688343.db2.gz ZYKOLAMTZOPYAE-UHFFFAOYSA-N -1 3 367.159 2.913 20 30 FFEDHM C=C(C)[C@H]1CC=C(COC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1 ZINC000761240105 736712399 /nfs/dbraw/zinc/71/23/99/736712399.db2.gz DVIFNFNVCHNCBD-AWEZNQCLSA-N -1 3 353.440 2.956 20 30 FFEDHM N#Cc1cc([N-]C(=O)c2ccc(C(N)=O)s2)c(Cl)c([N+](=O)[O-])c1 ZINC000764302091 737009822 /nfs/dbraw/zinc/00/98/22/737009822.db2.gz MUGPVAFOKROROW-UHFFFAOYSA-N -1 3 350.743 2.533 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1F ZINC000914459604 737579773 /nfs/dbraw/zinc/57/97/73/737579773.db2.gz UCPULCNNDFDYPO-UHFFFAOYSA-N -1 3 370.352 2.821 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC(C)C)C2CC2)ccc1F ZINC000916045566 737675038 /nfs/dbraw/zinc/67/50/38/737675038.db2.gz HECLDMXFHVSFBS-UHFFFAOYSA-N -1 3 368.474 2.941 20 30 FFEDHM Oc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000916320762 737696713 /nfs/dbraw/zinc/69/67/13/737696713.db2.gz JALVXHIDOOYKEI-HNNXBMFYSA-N -1 3 354.391 2.667 20 30 FFEDHM COc1ccc(C(C)=N[N-]c2[nH+]cnc3[n-]cnc32)c(Br)c1 ZINC000776179595 738168493 /nfs/dbraw/zinc/16/84/93/738168493.db2.gz BLUHHGKMSCEQGZ-UHFFFAOYSA-N -1 3 361.203 2.960 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cs1 ZINC000796813310 740186361 /nfs/dbraw/zinc/18/63/61/740186361.db2.gz XAXZCWYEOPAOKP-OAHLLOKOSA-N -1 3 355.419 2.720 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3)c2)s1 ZINC000797818677 740275782 /nfs/dbraw/zinc/27/57/82/740275782.db2.gz RIYZOFLNIGMWMF-UHFFFAOYSA-N -1 3 371.443 2.631 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000797841712 740279152 /nfs/dbraw/zinc/27/91/52/740279152.db2.gz OKAQPOWRSAWBMD-JOYOIKCWSA-N -1 3 351.255 2.648 20 30 FFEDHM C=CC[C@H](CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000798552379 740341273 /nfs/dbraw/zinc/34/12/73/740341273.db2.gz YVBSUQOWOYWVIT-ZDUSSCGKSA-N -1 3 356.463 2.987 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000811809501 741561434 /nfs/dbraw/zinc/56/14/34/741561434.db2.gz GKECPCXEZCGZNQ-HNNXBMFYSA-N -1 3 353.765 2.720 20 30 FFEDHM COC(=O)CCC[C@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000814816720 741867382 /nfs/dbraw/zinc/86/73/82/741867382.db2.gz SEXWNUFNDQTNLJ-OAHLLOKOSA-N -1 3 366.483 2.996 20 30 FFEDHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816755180 742058724 /nfs/dbraw/zinc/05/87/24/742058724.db2.gz UXFHTFGEWGYLEC-MRVPVSSYSA-N -1 3 371.871 2.943 20 30 FFEDHM O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H]1CCCN([O-])C1=O ZINC000816754053 742058784 /nfs/dbraw/zinc/05/87/84/742058784.db2.gz VTWLHICWUYZEMT-ZDUSSCGKSA-N -1 3 365.842 2.502 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CC(C(C)(C)C)C2)ccc1F ZINC000818136385 742241281 /nfs/dbraw/zinc/24/12/81/742241281.db2.gz DURISSKHVZTHPP-UHFFFAOYSA-N -1 3 368.474 2.845 20 30 FFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)[C@@H]1CCCO1 ZINC000828852057 745127159 /nfs/dbraw/zinc/12/71/59/745127159.db2.gz KBAJBBZJLDETCO-OLZOCXBDSA-N -1 3 358.182 2.838 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000829728748 745251341 /nfs/dbraw/zinc/25/13/41/745251341.db2.gz VATBCIGNUSXIIY-MRVPVSSYSA-N -1 3 366.668 2.714 20 30 FFEDHM C#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Br)cc1 ZINC000833231645 745780323 /nfs/dbraw/zinc/78/03/23/745780323.db2.gz YOVPCVKIUKXXMN-LBPRGKRZSA-N -1 3 358.182 2.790 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn2c1OCCC2 ZINC000835062256 745942119 /nfs/dbraw/zinc/94/21/19/745942119.db2.gz ZGBVJFJADOZZFY-ZDUSSCGKSA-N -1 3 358.785 2.589 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC/C=C\Cl ZINC000839223158 746803182 /nfs/dbraw/zinc/80/31/82/746803182.db2.gz LXCWDBAMRDKAHI-HKBVPSITSA-N -1 3 370.858 2.580 20 30 FFEDHM C=C(C)CO[N-]C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000846538110 748498431 /nfs/dbraw/zinc/49/84/31/748498431.db2.gz FJEWMTGDAYIVQI-FQEVSTJZSA-N -1 3 360.273 2.961 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)CCC(=O)c1ccc(I)cc1 ZINC000846541487 748499333 /nfs/dbraw/zinc/49/93/33/748499333.db2.gz HMCLZPIOJWRQTJ-JTQLQIEISA-N -1 3 373.190 2.876 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000846544447 748499768 /nfs/dbraw/zinc/49/97/68/748499768.db2.gz GXSYOPIDYIRZDL-YBTHPKLGSA-N -1 3 360.273 2.959 20 30 FFEDHM Cc1nc(SC2CCCC2)sc1CC(=O)N[C@H]1CCCN([O-])C1=O ZINC000848131394 748850531 /nfs/dbraw/zinc/85/05/31/748850531.db2.gz FEZWEMUEJSMBIU-LBPRGKRZSA-N -1 3 369.512 2.525 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000848130430 748850670 /nfs/dbraw/zinc/85/06/70/748850670.db2.gz JXWJEJUXTZEQPX-ZDUSSCGKSA-N -1 3 356.344 2.624 20 30 FFEDHM C#CCOc1ccc(F)cc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000819709613 945272444 /nfs/dbraw/zinc/27/24/44/945272444.db2.gz MBMHXLKEAVAIGQ-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM C#CCOc1ccc(F)cc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000819709613 945272451 /nfs/dbraw/zinc/27/24/51/945272451.db2.gz MBMHXLKEAVAIGQ-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000819709479 945272776 /nfs/dbraw/zinc/27/27/76/945272776.db2.gz GNLWGLWMQXJTSP-UHFFFAOYSA-N -1 3 353.332 2.793 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000819709479 945272781 /nfs/dbraw/zinc/27/27/81/945272781.db2.gz GNLWGLWMQXJTSP-UHFFFAOYSA-N -1 3 353.332 2.793 20 30 FFEDHM C=CCCC1(CNC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1 ZINC000895659976 970818698 /nfs/dbraw/zinc/81/86/98/970818698.db2.gz GKDUJRKTMZZSAN-HNNXBMFYSA-N -1 3 359.474 2.587 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccn1 ZINC000822015784 945920358 /nfs/dbraw/zinc/92/03/58/945920358.db2.gz OLGROCASZZQFOY-CMDGGOBGSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccn1 ZINC000822015784 945920368 /nfs/dbraw/zinc/92/03/68/945920368.db2.gz OLGROCASZZQFOY-CMDGGOBGSA-N -1 3 357.377 2.652 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823894777 946506921 /nfs/dbraw/zinc/50/69/21/946506921.db2.gz XDVNSLZGOXMBET-WMLDXEAASA-N -1 3 354.458 2.697 20 30 FFEDHM CC#CCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823937345 946522742 /nfs/dbraw/zinc/52/27/42/946522742.db2.gz SUTGVJFHOCIGMW-CQSZACIVSA-N -1 3 360.421 2.917 20 30 FFEDHM CC#CCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823937345 946522752 /nfs/dbraw/zinc/52/27/52/946522752.db2.gz SUTGVJFHOCIGMW-CQSZACIVSA-N -1 3 360.421 2.917 20 30 FFEDHM C#C[C@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)[C@H]1CCCO1 ZINC001573279923 946650954 /nfs/dbraw/zinc/65/09/54/946650954.db2.gz LTVQTWSPKLKANG-XJKSGUPXSA-N -1 3 373.420 2.569 20 30 FFEDHM C#C[C@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)[C@H]1CCCO1 ZINC001573279923 946650958 /nfs/dbraw/zinc/65/09/58/946650958.db2.gz LTVQTWSPKLKANG-XJKSGUPXSA-N -1 3 373.420 2.569 20 30 FFEDHM C#CCO[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573286649 946814342 /nfs/dbraw/zinc/81/43/42/946814342.db2.gz GYJXFAVUFWIZBU-CYBMUJFWSA-N -1 3 364.361 2.603 20 30 FFEDHM C#CCO[C@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573286649 946814352 /nfs/dbraw/zinc/81/43/52/946814352.db2.gz GYJXFAVUFWIZBU-CYBMUJFWSA-N -1 3 364.361 2.603 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573298705 947080521 /nfs/dbraw/zinc/08/05/21/947080521.db2.gz FVWNZCOWGIHJTA-GJZGRUSLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573298705 947080533 /nfs/dbraw/zinc/08/05/33/947080533.db2.gz FVWNZCOWGIHJTA-GJZGRUSLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@H](C)[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573327214 947384539 /nfs/dbraw/zinc/38/45/39/947384539.db2.gz ADLUYACVAFUPQN-KGLIPLIRSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC(=O)N[C@H](C)[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573327214 947384552 /nfs/dbraw/zinc/38/45/52/947384552.db2.gz ADLUYACVAFUPQN-KGLIPLIRSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573329641 947423462 /nfs/dbraw/zinc/42/34/62/947423462.db2.gz MLVBBDWRYCFBGY-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573329641 947423468 /nfs/dbraw/zinc/42/34/68/947423468.db2.gz MLVBBDWRYCFBGY-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC000826178702 947553587 /nfs/dbraw/zinc/55/35/87/947553587.db2.gz ISSBGJHQHCWQKC-XVNBXDOJSA-N -1 3 369.312 2.819 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC000826178702 947553592 /nfs/dbraw/zinc/55/35/92/947553592.db2.gz ISSBGJHQHCWQKC-XVNBXDOJSA-N -1 3 369.312 2.819 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000826191206 947584127 /nfs/dbraw/zinc/58/41/27/947584127.db2.gz ZWYNZXQORJIDDZ-XVNBXDOJSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826191206 947584135 /nfs/dbraw/zinc/58/41/35/947584135.db2.gz ZWYNZXQORJIDDZ-XVNBXDOJSA-N -1 3 354.341 2.919 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001573348757 947587637 /nfs/dbraw/zinc/58/76/37/947587637.db2.gz VDXVXJSXEOJPEM-OLZOCXBDSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001573348757 947587645 /nfs/dbraw/zinc/58/76/45/947587645.db2.gz VDXVXJSXEOJPEM-OLZOCXBDSA-N -1 3 350.430 2.546 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)nnn1-c1ccccc1 ZINC000826234431 947686493 /nfs/dbraw/zinc/68/64/93/947686493.db2.gz WCUPEBIFQSIFKS-QXMHVHEDSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)nnn1-c1ccccc1 ZINC000826234431 947686497 /nfs/dbraw/zinc/68/64/97/947686497.db2.gz WCUPEBIFQSIFKS-QXMHVHEDSA-N -1 3 357.377 2.652 20 30 FFEDHM N#Cc1cc(F)c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826384455 948186092 /nfs/dbraw/zinc/18/60/92/948186092.db2.gz WKEYEZXEEUSINF-INIZCTEOSA-N -1 3 368.347 2.594 20 30 FFEDHM N#Cc1cc(F)c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826384455 948186097 /nfs/dbraw/zinc/18/60/97/948186097.db2.gz WKEYEZXEEUSINF-INIZCTEOSA-N -1 3 368.347 2.594 20 30 FFEDHM CC(C)(C(=O)Nc1cc(F)cc(C#N)c1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573788505 949194413 /nfs/dbraw/zinc/19/44/13/949194413.db2.gz KIZSOZBKBQRNHR-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C(=O)Nc1cc(F)cc(C#N)c1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573788505 949194433 /nfs/dbraw/zinc/19/44/33/949194433.db2.gz KIZSOZBKBQRNHR-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001594298496 957887743 /nfs/dbraw/zinc/88/77/43/957887743.db2.gz QMOLMDZKUDOLRA-ZIFCJYIRSA-N -1 3 371.481 2.981 20 30 FFEDHM Cc1csc([C@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)n1 ZINC000874489746 1013843348 /nfs/dbraw/zinc/84/33/48/1013843348.db2.gz UYTZPIUDEDCVAK-AWEZNQCLSA-N -1 3 370.478 2.989 20 30 FFEDHM C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000976300235 974041489 /nfs/dbraw/zinc/04/14/89/974041489.db2.gz XBXFOBITQZWUDX-IAGOWNOFSA-N -1 3 367.449 2.851 20 30 FFEDHM C#CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001087454147 977758675 /nfs/dbraw/zinc/75/86/75/977758675.db2.gz FEXYJJBBTBGGQO-QZTJIDSGSA-N -1 3 367.424 2.538 20 30 FFEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc([O-])ccc1Cl ZINC001271914189 979267526 /nfs/dbraw/zinc/26/75/26/979267526.db2.gz AINNRRSTFGFAPW-HZPDHXFCSA-N -1 3 361.829 2.555 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000128899824 980152121 /nfs/dbraw/zinc/15/21/21/980152121.db2.gz ZZUKIVMLYITWOS-CQSZACIVSA-N -1 3 353.334 2.955 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3ccccc3)nn2)c1 ZINC000127642280 980794426 /nfs/dbraw/zinc/79/44/26/980794426.db2.gz TVPAVAPIDZMBMU-QGZVFWFLSA-N -1 3 359.389 2.596 20 30 FFEDHM Cc1cn2ccnc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2n1 ZINC000763933885 983949148 /nfs/dbraw/zinc/94/91/48/983949148.db2.gz XHTXQGJAZQZQJQ-NSHDSACASA-N -1 3 371.759 2.791 20 30 FFEDHM C#CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000764445950 984498636 /nfs/dbraw/zinc/49/86/36/984498636.db2.gz AYTXKVVGCNDHSR-HXUWFJFHSA-N -1 3 362.429 2.878 20 30 FFEDHM C#CCOc1ccccc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000765184630 984985257 /nfs/dbraw/zinc/98/52/57/984985257.db2.gz NOXPGBSXBDHKMB-UHFFFAOYSA-N -1 3 374.418 2.702 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2CCCCCC2)ccc1F ZINC001272797569 985616530 /nfs/dbraw/zinc/61/65/30/985616530.db2.gz WPWPSERMQBNVBF-UHFFFAOYSA-N -1 3 368.474 2.990 20 30 FFEDHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001599864440 989220262 /nfs/dbraw/zinc/22/02/62/989220262.db2.gz IGZOVWZEDFZYBH-WQVCFCJDSA-N -1 3 359.426 2.529 20 30 FFEDHM CCOC(=O)c1cc(N=Cc2ccc(O)c([O-])c2O)cc(C(=O)OCC)c1 ZINC000920942549 990941077 /nfs/dbraw/zinc/94/10/77/990941077.db2.gz GABBRIWTWIISIJ-UHFFFAOYSA-N -1 3 373.361 2.907 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H]2CN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]2C)CC1 ZINC001080391454 993009282 /nfs/dbraw/zinc/00/92/82/993009282.db2.gz GYVNFLHMFBFMDY-RDTXWAMCSA-N -1 3 370.497 2.743 20 30 FFEDHM COc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1OC ZINC001133487230 995557134 /nfs/dbraw/zinc/55/71/34/995557134.db2.gz PFZGKHGASWIAKP-UHFFFAOYSA-N -1 3 355.394 2.864 20 30 FFEDHM C[C@@H](c1ccncc1)N1CCC(Nc2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001593722763 996253294 /nfs/dbraw/zinc/25/32/94/996253294.db2.gz CMENHHXBOXBNJR-ZDUSSCGKSA-N -1 3 351.410 2.684 20 30 FFEDHM C=C(Br)CN1CC[C@@H]2CCN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC001084892854 997896299 /nfs/dbraw/zinc/89/62/99/997896299.db2.gz WHSALRFXLGYZAV-HIFRSBDPSA-N -1 3 365.271 2.837 20 30 FFEDHM C=C(C)CNC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccccc1 ZINC000732179283 998527060 /nfs/dbraw/zinc/52/70/60/998527060.db2.gz FXFIYZPNWZEKNT-UHFFFAOYSA-O -1 3 369.470 2.654 20 30 FFEDHM C#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000733287346 998947802 /nfs/dbraw/zinc/94/78/02/998947802.db2.gz CXURFGXIWDMAOG-UHFFFAOYSA-N -1 3 372.446 2.558 20 30 FFEDHM Cc1nnc2ccc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)cn12 ZINC000733680171 999045665 /nfs/dbraw/zinc/04/56/65/999045665.db2.gz WGGGUQPYRZMXLS-LBPRGKRZSA-N -1 3 371.759 2.791 20 30 FFEDHM CC(C)(C)OC(=O)NCc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000766275220 999740830 /nfs/dbraw/zinc/74/08/30/999740830.db2.gz OXHIIEHSVLZMTM-HNNXBMFYSA-N -1 3 352.394 2.991 20 30 FFEDHM O=C1CN(N=Cc2cn(Cc3ccccc3)nc2-c2cccs2)C(=O)[N-]1 ZINC000744810447 999874536 /nfs/dbraw/zinc/87/45/36/999874536.db2.gz POLIVDLJGVGMQT-UHFFFAOYSA-N -1 3 365.418 2.546 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)ccc1C#N ZINC000766549585 1000010360 /nfs/dbraw/zinc/01/03/60/1000010360.db2.gz VJSSRYNCPLEISK-OAHLLOKOSA-N -1 3 371.462 2.893 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)ccc1C#N ZINC000766547076 1000011827 /nfs/dbraw/zinc/01/18/27/1000011827.db2.gz JAMGNXXBWGUYJD-UHFFFAOYSA-N -1 3 373.409 2.933 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2c([O-])cccc2O)ccc1OC ZINC000770408460 1000775105 /nfs/dbraw/zinc/77/51/05/1000775105.db2.gz LRPPLPCRWQKLRU-ZDUSSCGKSA-N -1 3 356.378 2.717 20 30 FFEDHM Cc1nc(C#N)c([N-]C(=O)c2csc(-n3ncc4ccccc43)n2)o1 ZINC001148065626 1001026103 /nfs/dbraw/zinc/02/61/03/1001026103.db2.gz RBKPSVFWDIMVNH-UHFFFAOYSA-N -1 3 350.363 2.902 20 30 FFEDHM COc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)c(Br)c1 ZINC001148975561 1001246777 /nfs/dbraw/zinc/24/67/77/1001246777.db2.gz IDEUGOWBRWLSQZ-UHFFFAOYSA-N -1 3 364.199 2.897 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nnc(N2CCCCCC2)c2ccccc21 ZINC001171363128 1001719148 /nfs/dbraw/zinc/71/91/48/1001719148.db2.gz SONCSOGVEATQNM-BBRMVZONSA-N -1 3 355.442 2.658 20 30 FFEDHM CCOC(CSc1ccccc1N[C@@H]1C(=O)N([O-])C[C@@H]1C)OCC ZINC001171368639 1001950806 /nfs/dbraw/zinc/95/08/06/1001950806.db2.gz KYKMPQCXWAGXAY-LRDDRELGSA-N -1 3 354.472 2.826 20 30 FFEDHM O=C(CNC(=O)c1c(F)cccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC001184348767 1002576857 /nfs/dbraw/zinc/57/68/57/1002576857.db2.gz UKNKAGYUYWLTDW-UHFFFAOYSA-N -1 3 354.740 2.766 20 30 FFEDHM N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)cc1F ZINC001096824141 1016655306 /nfs/dbraw/zinc/65/53/06/1016655306.db2.gz VGLGCCDFGVYNQQ-LZQZEXGQSA-N -1 3 365.408 2.938 20 30 FFEDHM C=CCCc1ccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c(=O)[nH]1 ZINC001185364071 1002923702 /nfs/dbraw/zinc/92/37/02/1002923702.db2.gz BJLDANWCYGQMOV-UHFFFAOYSA-N -1 3 352.350 2.513 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)o1 ZINC001187020929 1003516732 /nfs/dbraw/zinc/51/67/32/1003516732.db2.gz WSDCQELPTYXEHN-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001192254430 1004096990 /nfs/dbraw/zinc/09/69/90/1004096990.db2.gz GRXRMBJKMGFYQX-UHFFFAOYSA-N -1 3 361.460 2.590 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)[n-]n1 ZINC001197387790 1004186875 /nfs/dbraw/zinc/18/68/75/1004186875.db2.gz XSABXQHREIHVFX-UHFFFAOYSA-N -1 3 350.334 2.970 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)n[n-]1 ZINC001197387790 1004186882 /nfs/dbraw/zinc/18/68/82/1004186882.db2.gz XSABXQHREIHVFX-UHFFFAOYSA-N -1 3 350.334 2.970 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(Cc2cccc(C(F)(F)F)c2)n1 ZINC001193112109 1004376547 /nfs/dbraw/zinc/37/65/47/1004376547.db2.gz OLYSNDHAXFXCPV-NSHDSACASA-N -1 3 372.372 2.912 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001193151215 1004391466 /nfs/dbraw/zinc/39/14/66/1004391466.db2.gz OFXTXGLVKYAADG-LBPRGKRZSA-N -1 3 365.455 2.634 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)n1-c1cnn(C)c1 ZINC000850861349 1005846625 /nfs/dbraw/zinc/84/66/25/1005846625.db2.gz HAHHNGPIUOVBGB-INIZCTEOSA-N -1 3 373.420 2.897 20 30 FFEDHM Cc1nc(C#N)c([N-]C(=O)c2cc(C(F)(F)F)ccc2S(C)(=O)=O)o1 ZINC001187239696 1005971740 /nfs/dbraw/zinc/97/17/40/1005971740.db2.gz OAHFZYWYUSCOMF-UHFFFAOYSA-N -1 3 373.312 2.529 20 30 FFEDHM COc1ccc(CN2CCC(=N[N-]c3nccnc3C(C)C)C2=O)cc1 ZINC000853340685 1006370501 /nfs/dbraw/zinc/37/05/01/1006370501.db2.gz FNHCLTNWOWTNLF-UHFFFAOYSA-N -1 3 353.426 2.809 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CCOCC1 ZINC000853858378 1006559284 /nfs/dbraw/zinc/55/92/84/1006559284.db2.gz IFDSMQCCARZERW-QGZVFWFLSA-N -1 3 366.421 2.708 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccnn2C(C)C)c(C)c1[O-] ZINC001189370073 1007037860 /nfs/dbraw/zinc/03/78/60/1007037860.db2.gz DHCUNCGUWBUDNO-UHFFFAOYSA-N -1 3 356.382 2.779 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1oc2ccccc2c1COc1ccccc1 ZINC000816696559 1007168032 /nfs/dbraw/zinc/16/80/32/1007168032.db2.gz AXLKDTUFHGHECT-INIZCTEOSA-N -1 3 366.373 2.732 20 30 FFEDHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[C@H]1CCN([O-])C1=O ZINC000816691192 1007169003 /nfs/dbraw/zinc/16/90/03/1007169003.db2.gz MREGNKNFPCFIIG-IBGZPJMESA-N -1 3 350.418 2.687 20 30 FFEDHM Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CCCN([O-])C2=O)cc1C ZINC000816754275 1007192600 /nfs/dbraw/zinc/19/26/00/1007192600.db2.gz ABSVUWZVBUORCD-MRXNPFEDSA-N -1 3 371.462 2.960 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CCF)C2)ccc1F ZINC000855825770 1007587301 /nfs/dbraw/zinc/58/73/01/1007587301.db2.gz UFMHFUINCIPMBV-ZDUSSCGKSA-N -1 3 372.437 2.502 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)OC ZINC001190350695 1007594668 /nfs/dbraw/zinc/59/46/68/1007594668.db2.gz RGPFELMCUBOAKZ-CYBMUJFWSA-N -1 3 369.336 2.631 20 30 FFEDHM C=CCCO[N-]C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000856028943 1007671267 /nfs/dbraw/zinc/67/12/67/1007671267.db2.gz SQCZGRNXKYNUQB-UHFFFAOYSA-N -1 3 352.390 2.840 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(O)CCC2)c1 ZINC001190671660 1007729278 /nfs/dbraw/zinc/72/92/78/1007729278.db2.gz UOTWCCVDRIQXAC-KRWDZBQOSA-N -1 3 360.410 2.632 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(CC3CCC3)CCOCC2)c1 ZINC001190678016 1007746617 /nfs/dbraw/zinc/74/66/17/1007746617.db2.gz ZVGNTLIQCOVJKB-UHFFFAOYSA-N -1 3 366.458 2.963 20 30 FFEDHM O=C(CC(Cc1ccccc1)Cc1ccccc1)N[C@@H]1CCN([O-])C1=O ZINC000820149895 1008293818 /nfs/dbraw/zinc/29/38/18/1008293818.db2.gz SRFXENHHFTZZIR-LJQANCHMSA-N -1 3 352.434 2.584 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(CO)ccc1F ZINC000859477813 1008523505 /nfs/dbraw/zinc/52/35/05/1008523505.db2.gz LZIUNMPLRURJTG-UHFFFAOYSA-N -1 3 358.369 2.583 20 30 FFEDHM C=C(C)CN1CCC2(CCN(C(=O)c3cc([O-])c(C)c(F)c3)CC2)C1=O ZINC001274114571 1009410144 /nfs/dbraw/zinc/41/01/44/1009410144.db2.gz ATCSHPBGHDBSHM-UHFFFAOYSA-N -1 3 360.429 2.871 20 30 FFEDHM N#Cc1ccccc1N1CCC(C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001180507954 1009728825 /nfs/dbraw/zinc/72/88/25/1009728825.db2.gz UNZPGSFBZOWCJP-UHFFFAOYSA-N -1 3 373.420 2.593 20 30 FFEDHM N#Cc1ccccc1N1CCC(C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001180507954 1009728833 /nfs/dbraw/zinc/72/88/33/1009728833.db2.gz UNZPGSFBZOWCJP-UHFFFAOYSA-N -1 3 373.420 2.593 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(NN=Cc1c(F)ccc([O-])c1F)[nH]c2=O ZINC000794509681 1010170837 /nfs/dbraw/zinc/17/08/37/1010170837.db2.gz CWACHVYJZCCALX-UHFFFAOYSA-N -1 3 362.340 2.717 20 30 FFEDHM CC[C@@H]1[C@@H](/N=C/c2c([O-])c(C)ncc2CO)CCN1C(=O)OC(C)(C)C ZINC000864346062 1010452918 /nfs/dbraw/zinc/45/29/18/1010452918.db2.gz NBGKJKISWISPBA-JRNWVHKISA-N -1 3 363.458 2.795 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](C)CC2 ZINC000870139719 1012186721 /nfs/dbraw/zinc/18/67/21/1012186721.db2.gz CIYGNSFQJUNRQL-UONOGXRCSA-N -1 3 366.421 2.825 20 30 FFEDHM CCO[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C1CCOCC1 ZINC000870454401 1012390162 /nfs/dbraw/zinc/39/01/62/1012390162.db2.gz JXYSKEZEOOYWRS-MJGOQNOKSA-N -1 3 355.434 2.828 20 30 FFEDHM Cc1ccc(C#N)c(N2C[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@]3(C)C2)n1 ZINC001052185940 1017335485 /nfs/dbraw/zinc/33/54/85/1017335485.db2.gz VGTMEWZDENUAOI-IERDGZPVSA-N -1 3 362.433 2.566 20 30 FFEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000802039102 1019658771 /nfs/dbraw/zinc/65/87/71/1019658771.db2.gz XBAMLPFMCMRXMT-CQSZACIVSA-N -1 3 359.393 2.699 20 30 FFEDHM COCCC[C@@H](Cc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001116874346 1021464680 /nfs/dbraw/zinc/46/46/80/1021464680.db2.gz XHZUBAXKBHQAER-INIZCTEOSA-N -1 3 358.463 2.763 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1 ZINC000115903863 1022367318 /nfs/dbraw/zinc/36/73/18/1022367318.db2.gz YIENXCDXFXYQOZ-CYBMUJFWSA-N -1 3 368.780 2.885 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001120605730 1023383014 /nfs/dbraw/zinc/38/30/14/1023383014.db2.gz XCXRCTVQEFXPSZ-MEDUHNTESA-N -1 3 369.874 2.914 20 30 FFEDHM C=CC[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2C[C@@H]2CCCO2)C1 ZINC001122812465 1023489190 /nfs/dbraw/zinc/48/91/90/1023489190.db2.gz ZQTCATQFFRPWMY-KBPBESRZSA-N -1 3 359.430 2.610 20 30 FFEDHM N#CC(=C([O-])c1cccc(N2CCNC2=O)c1)c1cnc2ccccc2n1 ZINC001122954781 1023572311 /nfs/dbraw/zinc/57/23/11/1023572311.db2.gz FOMARBLLARNOSY-HNNXBMFYSA-N -1 3 357.373 2.649 20 30 FFEDHM Cc1nn(C)cc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000755682627 1023624266 /nfs/dbraw/zinc/62/42/66/1023624266.db2.gz ICDHJXHHELIRFX-UHFFFAOYSA-N -1 3 369.450 2.975 20 30 FFEDHM Cn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC(C)(C#N)CC1 ZINC001121371381 1023735311 /nfs/dbraw/zinc/73/53/11/1023735311.db2.gz KEMZNVGRYLLMTQ-UHFFFAOYSA-N -1 3 363.425 2.503 20 30 FFEDHM N#Cc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000839395167 1026664907 /nfs/dbraw/zinc/66/49/07/1026664907.db2.gz IJTBNLAIQBWKDL-INIZCTEOSA-N -1 3 363.402 2.833 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2CC#N)cc1OC ZINC001141956974 1027219544 /nfs/dbraw/zinc/21/95/44/1027219544.db2.gz KPIONMBPEVUHJU-UHFFFAOYSA-N -1 3 373.434 2.775 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCc2cccc(CCO)c2)n1 ZINC001161015778 1027974002 /nfs/dbraw/zinc/97/40/02/1027974002.db2.gz OEPNRXXHYLNTBA-GIJQJNRQSA-N -1 3 352.847 2.807 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3cc(F)c(C#N)cc3OC)[n-]nc21 ZINC001154147051 1028165512 /nfs/dbraw/zinc/16/55/12/1028165512.db2.gz NOHCWKZJBVWXDT-UHFFFAOYSA-N -1 3 368.324 2.621 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3cc(F)c(C#N)cc3OC)n[n-]c21 ZINC001154147051 1028165513 /nfs/dbraw/zinc/16/55/13/1028165513.db2.gz NOHCWKZJBVWXDT-UHFFFAOYSA-N -1 3 368.324 2.621 20 30 FFEDHM CSc1nc(-c2ccccc2)nc(Nc2cnc(C)[n-]c2=O)c1C#N ZINC001162299806 1028497324 /nfs/dbraw/zinc/49/73/24/1028497324.db2.gz DIQJWCNFKBKSTO-ZDUSSCGKSA-N -1 3 350.407 2.547 20 30 FFEDHM N#Cc1cc(NC(=O)c2nn3ccccc3c2Br)ccc1[O-] ZINC001155368344 1028697997 /nfs/dbraw/zinc/69/79/97/1028697997.db2.gz ABCVIDZBKFUCOK-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2NC1(C#N)Cc2ccccc2C1 ZINC001163004096 1028753824 /nfs/dbraw/zinc/75/38/24/1028753824.db2.gz UBBHLVIPMYINHU-UHFFFAOYSA-N -1 3 367.796 2.871 20 30 FFEDHM O=C1COc2c(ccnc2NC(=N[O-])c2ccc(OC(F)(F)F)cc2)N1 ZINC001163765205 1029054988 /nfs/dbraw/zinc/05/49/88/1029054988.db2.gz OIEOVGBYTNYYAF-UHFFFAOYSA-N -1 3 368.271 2.559 20 30 FFEDHM C[S@](=O)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001163769041 1029055782 /nfs/dbraw/zinc/05/57/82/1029055782.db2.gz MHODKBQMJDQFLC-DEOSSOPVSA-N -1 3 359.329 2.966 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3cc(C)c([N+](=O)[O-])cc3C#N)C2)n1 ZINC001164131779 1029181165 /nfs/dbraw/zinc/18/11/65/1029181165.db2.gz ZZZTVFWQBAPPLL-AWEZNQCLSA-N -1 3 368.397 2.660 20 30 FFEDHM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cc(Cl)ccc1[O-] ZINC001203656109 1030808407 /nfs/dbraw/zinc/80/84/07/1030808407.db2.gz IBUKZRZROPBCOD-MRXNPFEDSA-N -1 3 362.861 2.959 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cnn2c1OCCC2 ZINC000796743900 1030901332 /nfs/dbraw/zinc/90/13/32/1030901332.db2.gz HOEFORRGUKKMNR-OAHLLOKOSA-N -1 3 360.373 2.780 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn3c2OCCC3)cc1 ZINC000796747585 1030903770 /nfs/dbraw/zinc/90/37/70/1030903770.db2.gz PXMQXYQQICIRBR-INIZCTEOSA-N -1 3 366.421 2.969 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2ccccn2)C1 ZINC000798712207 1031504853 /nfs/dbraw/zinc/50/48/53/1031504853.db2.gz FXFNMWJLXVSHPW-HNNXBMFYSA-N -1 3 350.422 2.619 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnc3cc[nH]c3c2)c(C)c1[O-] ZINC001150907073 1031808538 /nfs/dbraw/zinc/80/85/38/1031808538.db2.gz RHEXJKMUSQSWPM-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)OC3=C(C)O[C@H](C)C3=O)nc21 ZINC001223404070 1033429819 /nfs/dbraw/zinc/42/98/19/1033429819.db2.gz QDTJJRRUNYJFOK-VGDKGRGNSA-N -1 3 368.748 2.904 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H](O)C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[n-]1 ZINC001225470082 1034267153 /nfs/dbraw/zinc/26/71/53/1034267153.db2.gz QJFCOJMKRIKNAB-UIJSSTANSA-N -1 3 362.426 2.669 20 30 FFEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139129645 1034958928 /nfs/dbraw/zinc/95/89/28/1034958928.db2.gz DFDGDKVAZINZBT-CQSZACIVSA-N -1 3 372.421 2.684 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCC2 ZINC000835060439 1035496615 /nfs/dbraw/zinc/49/66/15/1035496615.db2.gz AJLUNCVTOARMKR-CQSZACIVSA-N -1 3 352.394 2.579 20 30 FFEDHM CCC1=C(Oc2cccc([O-])c2I)C(=O)[C@H](C)O1 ZINC001227379145 1035522012 /nfs/dbraw/zinc/52/20/12/1035522012.db2.gz CELPDJPOIBLQKV-ZETCQYMHSA-N -1 3 360.147 2.985 20 30 FFEDHM N#Cc1ccc([O-])c(CN2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001232680951 1035939377 /nfs/dbraw/zinc/93/93/77/1035939377.db2.gz JDKCHEHMNJFVSA-GOSISDBHSA-N -1 3 353.397 2.797 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695682 1036265439 /nfs/dbraw/zinc/26/54/39/1036265439.db2.gz OYHXHOPANPYBMY-CQSZACIVSA-N -1 3 357.414 2.811 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695682 1036265451 /nfs/dbraw/zinc/26/54/51/1036265451.db2.gz OYHXHOPANPYBMY-CQSZACIVSA-N -1 3 357.414 2.811 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCN(c2cc(C)nc(Cl)n2)C1 ZINC001233802880 1036770729 /nfs/dbraw/zinc/77/07/29/1036770729.db2.gz JMOOSHZVCYHYLR-VDLQQMNMSA-N -1 3 362.817 2.913 20 30 FFEDHM C=CCN1CCC2(CCN(Cc3ccc(F)c(C(=O)[O-])c3F)CC2)C1=O ZINC001276519571 1037308878 /nfs/dbraw/zinc/30/88/78/1037308878.db2.gz XATIWDARFBJFOJ-UHFFFAOYSA-N -1 3 364.392 2.664 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(Br)n1 ZINC001255575244 1038025389 /nfs/dbraw/zinc/02/53/89/1038025389.db2.gz NRLFYDKKZLAVDA-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM C#CCOc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC001209734342 1039169626 /nfs/dbraw/zinc/16/96/26/1039169626.db2.gz JIPDQUMFPUCUAD-UHFFFAOYSA-N -1 3 371.245 2.879 20 30 FFEDHM COc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1C#N ZINC001259369976 1039948275 /nfs/dbraw/zinc/94/82/75/1039948275.db2.gz FIEROSGAOQEMNV-UHFFFAOYSA-N -1 3 354.391 2.553 20 30 FFEDHM COc1ccc(CS(=O)(=O)[N-]c2cnc(C#N)c(C(F)(F)F)c2)cc1 ZINC001259892473 1040276429 /nfs/dbraw/zinc/27/64/29/1040276429.db2.gz IFKUGQNAVPMFNS-UHFFFAOYSA-N -1 3 371.340 2.923 20 30 FFEDHM COc1cc([O-])c(CN2CCC[C@H](C#N)C2)cc1I ZINC001248469526 1040291058 /nfs/dbraw/zinc/29/10/58/1040291058.db2.gz OMLJVIVYHBAQNO-SNVBAGLBSA-N -1 3 372.206 2.741 20 30 FFEDHM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(F)c1 ZINC001260037532 1040368686 /nfs/dbraw/zinc/36/86/86/1040368686.db2.gz RSRDTYMTCDMNPW-UHFFFAOYSA-N -1 3 362.382 2.816 20 30 FFEDHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC001260043840 1040374211 /nfs/dbraw/zinc/37/42/11/1040374211.db2.gz MUEIROCXBOYGST-UHFFFAOYSA-N -1 3 362.382 2.816 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001260825280 1040828258 /nfs/dbraw/zinc/82/82/58/1040828258.db2.gz KPXOOXWOOZLUSK-GFCCVEGCSA-N -1 3 352.239 2.531 20 30 FFEDHM CCOC(=O)CN(CCC#N)Cc1cc(C)c(Br)cc1[O-] ZINC001250133408 1041124812 /nfs/dbraw/zinc/12/48/12/1041124812.db2.gz MAMWQPRIZLIZON-UHFFFAOYSA-N -1 3 355.232 2.742 20 30 FFEDHM N#Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)ccc2N)c1 ZINC001214598461 1041498573 /nfs/dbraw/zinc/49/85/73/1041498573.db2.gz MQXWTEIUNUEQIH-UHFFFAOYSA-N -1 3 370.203 2.843 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001262987702 1042011504 /nfs/dbraw/zinc/01/15/04/1042011504.db2.gz DUZJGEOMFYQLPK-IERDGZPVSA-N -1 3 374.448 2.713 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 ZINC001262988424 1042012818 /nfs/dbraw/zinc/01/28/18/1042012818.db2.gz SAJKACBIUFEBIX-DZGCQCFKSA-N -1 3 372.473 2.577 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC)c1[O-] ZINC001263057090 1042073369 /nfs/dbraw/zinc/07/33/69/1042073369.db2.gz SWCJVVOUCKQJIM-HNNXBMFYSA-N -1 3 353.426 2.518 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001263322934 1042240154 /nfs/dbraw/zinc/24/01/54/1042240154.db2.gz AUVBAYRTJCYXAY-SNVBAGLBSA-N -1 3 357.336 2.994 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCN(c2cccs2)CC1 ZINC001263322933 1042240298 /nfs/dbraw/zinc/24/02/98/1042240298.db2.gz AQQMDAIYELVAHM-UHFFFAOYSA-N -1 3 372.454 2.603 20 30 FFEDHM Cc1cnc2nc(C(=O)[N-]c3ccccc3SC[C@H](C)C#N)nn2c1 ZINC001265069260 1042841196 /nfs/dbraw/zinc/84/11/96/1042841196.db2.gz NCKKKLXUVJDDGF-LLVKDONJSA-N -1 3 352.423 2.937 20 30 FFEDHM N#Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(F)cc1F ZINC001237535703 1043225253 /nfs/dbraw/zinc/22/52/53/1043225253.db2.gz DBMWSAKWYFMJID-UHFFFAOYSA-N -1 3 357.360 2.500 20 30 FFEDHM C=C(C)[C@@H]1CC=C(CN2Cc3[nH]nc(C(=O)[N-]c4nnco4)c3C2)CC1 ZINC001280234078 1044438867 /nfs/dbraw/zinc/43/88/67/1044438867.db2.gz CRRDUKATFMZLII-CYBMUJFWSA-N -1 3 354.414 2.663 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001316783214 1044950821 /nfs/dbraw/zinc/95/08/21/1044950821.db2.gz LDVGUDDOPKOLCN-CJNGLKHVSA-N -1 3 358.486 2.741 20 30 FFEDHM COc1cccc(O)c1/C=N/Cc1c(F)cccc1[N-]S(C)(=O)=O ZINC001319042709 1044999563 /nfs/dbraw/zinc/99/95/63/1044999563.db2.gz LFNBRSNNTXCEMB-VCHYOVAHSA-N -1 3 352.387 2.531 20 30 FFEDHM COc1ccc(O)c(/C=N/Cc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001319193845 1045064236 /nfs/dbraw/zinc/06/42/36/1045064236.db2.gz FFJMPPPSUGLDDJ-GIJQJNRQSA-N -1 3 352.387 2.531 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3ccccc3CC#N)nc21 ZINC001539380512 1070626673 /nfs/dbraw/zinc/62/66/73/1070626673.db2.gz XXNQPKWMWJMIHX-UHFFFAOYSA-N -1 3 362.389 2.987 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001326516572 1046965039 /nfs/dbraw/zinc/96/50/39/1046965039.db2.gz INYXTQLZURVQDR-UHFFFAOYSA-N -1 3 358.769 2.625 20 30 FFEDHM CC(C)n1ncc2c1[C@H]([N-]S(=O)(=O)c1ccsc1C#N)CCC2 ZINC001326774469 1047081936 /nfs/dbraw/zinc/08/19/36/1047081936.db2.gz FWAJYJQPKGPNAQ-GFCCVEGCSA-N -1 3 350.469 2.753 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001290143018 1047856077 /nfs/dbraw/zinc/85/60/77/1047856077.db2.gz RLASZIDEBVKLHA-SOUVJXGZSA-N -1 3 369.469 2.575 20 30 FFEDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC001297610806 1050243319 /nfs/dbraw/zinc/24/33/19/1050243319.db2.gz RUZRMRNFKFLMDY-MNOVXSKESA-N -1 3 372.812 2.705 20 30 FFEDHM C=CCONC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC001297985555 1050348074 /nfs/dbraw/zinc/34/80/74/1050348074.db2.gz UKVZEVVFVLSGAY-UHFFFAOYSA-N -1 3 364.398 2.782 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1C#N ZINC001340288479 1050691269 /nfs/dbraw/zinc/69/12/69/1050691269.db2.gz NDILARPMLBJDMI-AWEZNQCLSA-N -1 3 368.462 2.514 20 30 FFEDHM C=CCCCCn1c(C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001301173780 1050828910 /nfs/dbraw/zinc/82/89/10/1050828910.db2.gz ITGBYZGIGBTWLD-UHFFFAOYSA-N -1 3 373.423 2.838 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn([C@H]2CCCCO2)c1 ZINC001301522374 1050912430 /nfs/dbraw/zinc/91/24/30/1050912430.db2.gz QDZODVOXQVBIRO-GOSISDBHSA-N -1 3 369.425 2.743 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001342414630 1051009437 /nfs/dbraw/zinc/00/94/37/1051009437.db2.gz OSRMZSNHYUGZSH-MRVPVSSYSA-N -1 3 361.759 2.681 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001342414630 1051009445 /nfs/dbraw/zinc/00/94/45/1051009445.db2.gz OSRMZSNHYUGZSH-MRVPVSSYSA-N -1 3 361.759 2.681 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)C[C@H](C)c1nccs1 ZINC001342854957 1051462844 /nfs/dbraw/zinc/46/28/44/1051462844.db2.gz XWKHMWXDBXCIJI-NSHDSACASA-N -1 3 360.443 2.911 20 30 FFEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001342964630 1051579007 /nfs/dbraw/zinc/57/90/07/1051579007.db2.gz SIUKERTXLGUHAK-HNNXBMFYSA-N -1 3 366.473 2.658 20 30 FFEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001342964630 1051579019 /nfs/dbraw/zinc/57/90/19/1051579019.db2.gz SIUKERTXLGUHAK-HNNXBMFYSA-N -1 3 366.473 2.658 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H](C)CCSC ZINC001343288296 1052137155 /nfs/dbraw/zinc/13/71/55/1052137155.db2.gz OAXNYLCKIRIIQL-LBPRGKRZSA-N -1 3 362.503 2.903 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC001306897069 1052214651 /nfs/dbraw/zinc/21/46/51/1052214651.db2.gz XZQCLDWBCOZCGB-LBPRGKRZSA-N -1 3 366.487 2.860 20 30 FFEDHM Cn1nnc(Br)c1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001306899936 1052216490 /nfs/dbraw/zinc/21/64/90/1052216490.db2.gz HHFYKVMJATZYRF-UHFFFAOYSA-N -1 3 361.199 2.762 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001343668405 1052365888 /nfs/dbraw/zinc/36/58/88/1052365888.db2.gz LBHXPCJHUCWFNU-KGZPDETFSA-N -1 3 364.453 2.665 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001343670836 1052366154 /nfs/dbraw/zinc/36/61/54/1052366154.db2.gz YULSZFAGANLDKS-OAHLLOKOSA-N -1 3 372.473 2.802 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001343786813 1052420050 /nfs/dbraw/zinc/42/00/50/1052420050.db2.gz RYAPEGCESCFPNN-SJLPKXTDSA-N -1 3 354.450 2.834 20 30 FFEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001343892074 1052473897 /nfs/dbraw/zinc/47/38/97/1052473897.db2.gz DYGHWVGJKGRMGX-BETUJISGSA-N -1 3 374.395 2.596 20 30 FFEDHM COc1ccc([C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c(C)c1OC ZINC001346863608 1053389044 /nfs/dbraw/zinc/38/90/44/1053389044.db2.gz PJVNLEAPIFCXIH-GFCCVEGCSA-N -1 3 360.435 2.812 20 30 FFEDHM C=CC1CCN(c2nnc(-c3c[n-]oc3=O)n2C[C@H]2CCCCO2)CC1 ZINC001347146188 1053664038 /nfs/dbraw/zinc/66/40/38/1053664038.db2.gz AKNBZMAKYGDFFR-CQSZACIVSA-N -1 3 359.430 2.610 20 30 FFEDHM C=CCC[C@@H](C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001350441162 1055775981 /nfs/dbraw/zinc/77/59/81/1055775981.db2.gz RJAMYIVGNRJBKG-ZWKOTPCHSA-N -1 3 366.465 2.936 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC001339014067 1056015612 /nfs/dbraw/zinc/01/56/12/1056015612.db2.gz CIZHEQXJIAQVPG-UONOGXRCSA-N -1 3 359.430 2.609 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001200392680 1056576254 /nfs/dbraw/zinc/57/62/54/1056576254.db2.gz DQBXJOBQORDLGT-CHWSQXEVSA-N -1 3 359.455 2.714 20 30 FFEDHM C=C1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2C)C1 ZINC001300667057 1059240952 /nfs/dbraw/zinc/24/09/52/1059240952.db2.gz SNZYNSMHPZEYGK-UHFFFAOYSA-N -1 3 372.446 2.816 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1OC ZINC001454413275 1059532841 /nfs/dbraw/zinc/53/28/41/1059532841.db2.gz AVHKSJBPERJQLE-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1OC ZINC001454413275 1059532864 /nfs/dbraw/zinc/53/28/64/1059532864.db2.gz AVHKSJBPERJQLE-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccccc2CC1 ZINC001520575775 1059821431 /nfs/dbraw/zinc/82/14/31/1059821431.db2.gz NTOYBHZIYGGSLC-UHFFFAOYSA-N -1 3 362.437 2.540 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccccc1OC ZINC001520576369 1059821953 /nfs/dbraw/zinc/82/19/53/1059821953.db2.gz TZGWTMOUCOBIDG-UHFFFAOYSA-N -1 3 366.425 2.580 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(C2CCC2)CC1 ZINC001520576011 1059822352 /nfs/dbraw/zinc/82/23/52/1059822352.db2.gz PHTZUZBPCVPFMP-UHFFFAOYSA-N -1 3 354.458 2.952 20 30 FFEDHM N#Cc1ccc(F)cc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001458338424 1060568837 /nfs/dbraw/zinc/56/88/37/1060568837.db2.gz QDBIBCCCICSPTK-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM N#Cc1ccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1Cl ZINC001475884650 1061306273 /nfs/dbraw/zinc/30/62/73/1061306273.db2.gz UDPASJCPBBYWSQ-UHFFFAOYSA-N -1 3 353.773 2.960 20 30 FFEDHM N#Cc1ccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1Cl ZINC001475884650 1061306289 /nfs/dbraw/zinc/30/62/89/1061306289.db2.gz UDPASJCPBBYWSQ-UHFFFAOYSA-N -1 3 353.773 2.960 20 30 FFEDHM CCc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCN([O-])C3=O)cn2)c1 ZINC001475977320 1061324089 /nfs/dbraw/zinc/32/40/89/1061324089.db2.gz GKXUSQPKNYZFJU-MRXNPFEDSA-N -1 3 370.409 2.938 20 30 FFEDHM C#CCCCCCC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001462208580 1061537883 /nfs/dbraw/zinc/53/78/83/1061537883.db2.gz FGNKTZFYGGNTSK-UHFFFAOYSA-N -1 3 357.501 2.742 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)c1ccc(C)o1 ZINC001463437633 1062105510 /nfs/dbraw/zinc/10/55/10/1062105510.db2.gz OGOHGYBZRLLCBK-HNNXBMFYSA-N -1 3 366.414 2.963 20 30 FFEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccco2)cc1 ZINC001463895288 1062317395 /nfs/dbraw/zinc/31/73/95/1062317395.db2.gz UQWREMCLAQGKPC-KRWDZBQOSA-N -1 3 358.375 2.821 20 30 FFEDHM C[C@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575333368 1078129695 /nfs/dbraw/zinc/12/96/95/1078129695.db2.gz ZWKREIHGTBOOKE-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575333368 1078129696 /nfs/dbraw/zinc/12/96/96/1078129696.db2.gz ZWKREIHGTBOOKE-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM O=C(c1cccnc1I)N([O-])Cc1ccc(F)cc1 ZINC001472623176 1065113998 /nfs/dbraw/zinc/11/39/98/1065113998.db2.gz WXGUEKBLZYOGHG-UHFFFAOYSA-N -1 3 372.137 2.857 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001580769015 1078858008 /nfs/dbraw/zinc/85/80/08/1078858008.db2.gz WVCDUQOVUFXMSW-UHFFFAOYSA-N -1 3 368.347 2.815 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001580769015 1078858017 /nfs/dbraw/zinc/85/80/17/1078858017.db2.gz WVCDUQOVUFXMSW-UHFFFAOYSA-N -1 3 368.347 2.815 20 30 FFEDHM N#CCc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001557192051 1075820324 /nfs/dbraw/zinc/82/03/24/1075820324.db2.gz YINGTBYQDMKUHZ-UHFFFAOYSA-N -1 3 353.328 2.802 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(CO)CCCCCCC1 ZINC001557995292 1075923716 /nfs/dbraw/zinc/92/37/16/1075923716.db2.gz IBBOJMQBINRQOM-UHFFFAOYSA-N -1 3 359.470 2.800 20 30 FFEDHM C#C[C@@H](C)N(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C/C=C/CC ZINC001588325983 1079983400 /nfs/dbraw/zinc/98/34/00/1079983400.db2.gz AXDJJXAQVFYEDF-HSBSLETESA-N -1 3 362.441 2.549 20 30 FFEDHM C#C[C@@H](C)N(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C/C=C/CC ZINC001588325983 1079983407 /nfs/dbraw/zinc/98/34/07/1079983407.db2.gz AXDJJXAQVFYEDF-HSBSLETESA-N -1 3 362.441 2.549 20 30 FFEDHM C#C[C@@H](C)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588325373 1079983635 /nfs/dbraw/zinc/98/36/35/1079983635.db2.gz KEGQPBOGJQSWJZ-CQSZACIVSA-N -1 3 361.405 2.539 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588325646 1079984263 /nfs/dbraw/zinc/98/42/63/1079984263.db2.gz RDZYMFCODAHNSK-CQSZACIVSA-N -1 3 352.320 2.809 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588325646 1079984271 /nfs/dbraw/zinc/98/42/71/1079984271.db2.gz RDZYMFCODAHNSK-CQSZACIVSA-N -1 3 352.320 2.809 20 30 FFEDHM C#CC[C@@H](NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588333891 1079987152 /nfs/dbraw/zinc/98/71/52/1079987152.db2.gz HSPFHFBAFGGQBH-LJQANCHMSA-N -1 3 374.448 2.815 20 30 FFEDHM C#CC[C@@H](NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588333891 1079987158 /nfs/dbraw/zinc/98/71/58/1079987158.db2.gz HSPFHFBAFGGQBH-LJQANCHMSA-N -1 3 374.448 2.815 20 30 FFEDHM C#CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001588334517 1079988572 /nfs/dbraw/zinc/98/85/72/1079988572.db2.gz ZGHUMLPKQZENIM-KRWDZBQOSA-N -1 3 364.384 2.570 20 30 FFEDHM C#CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001588334517 1079988577 /nfs/dbraw/zinc/98/85/77/1079988577.db2.gz ZGHUMLPKQZENIM-KRWDZBQOSA-N -1 3 364.384 2.570 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)C1 ZINC001588335270 1079989332 /nfs/dbraw/zinc/98/93/32/1079989332.db2.gz GICMZEBCZYADDP-MRXNPFEDSA-N -1 3 363.465 2.940 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)C1 ZINC001588335270 1079989337 /nfs/dbraw/zinc/98/93/37/1079989337.db2.gz GICMZEBCZYADDP-MRXNPFEDSA-N -1 3 363.465 2.940 20 30 FFEDHM C#CCN(CC1CC1)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588351008 1079991890 /nfs/dbraw/zinc/99/18/90/1079991890.db2.gz YJYIEQMNORATSP-UHFFFAOYSA-N -1 3 357.421 2.826 20 30 FFEDHM C#CCN(CC1CC1)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588351008 1079991897 /nfs/dbraw/zinc/99/18/97/1079991897.db2.gz YJYIEQMNORATSP-UHFFFAOYSA-N -1 3 357.421 2.826 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588351717 1079992436 /nfs/dbraw/zinc/99/24/36/1079992436.db2.gz GJGKOKQJTGQKTP-HNNXBMFYSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588351717 1079992442 /nfs/dbraw/zinc/99/24/42/1079992442.db2.gz GJGKOKQJTGQKTP-HNNXBMFYSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CCN(C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1)C(C)C ZINC001588348069 1079992853 /nfs/dbraw/zinc/99/28/53/1079992853.db2.gz GRRIWDGNLPVVSI-UHFFFAOYSA-N -1 3 356.430 2.920 20 30 FFEDHM C#CCN(C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1)C(C)C ZINC001588348069 1079992859 /nfs/dbraw/zinc/99/28/59/1079992859.db2.gz GRRIWDGNLPVVSI-UHFFFAOYSA-N -1 3 356.430 2.920 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588392717 1080004301 /nfs/dbraw/zinc/00/43/01/1080004301.db2.gz HCZJFUPHKYTHDW-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588392717 1080004311 /nfs/dbraw/zinc/00/43/11/1080004311.db2.gz HCZJFUPHKYTHDW-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588392951 1080004815 /nfs/dbraw/zinc/00/48/15/1080004815.db2.gz LMOHIGNAFHGVQO-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588392951 1080004823 /nfs/dbraw/zinc/00/48/23/1080004823.db2.gz LMOHIGNAFHGVQO-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(-c2nnn[n-]2)c1F ZINC001588426118 1080024217 /nfs/dbraw/zinc/02/42/17/1080024217.db2.gz MSKPWUDKYQFDSB-UHFFFAOYSA-N -1 3 357.389 2.669 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(-c2nn[n-]n2)c1F ZINC001588426118 1080024225 /nfs/dbraw/zinc/02/42/25/1080024225.db2.gz MSKPWUDKYQFDSB-UHFFFAOYSA-N -1 3 357.389 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC(Nc3ccccc3-c3nnn[n-]3)CC2)C1 ZINC001588449251 1080030561 /nfs/dbraw/zinc/03/05/61/1080030561.db2.gz KQJXLNCWYWFKTH-UHFFFAOYSA-N -1 3 352.442 2.626 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC(Nc3ccccc3-c3nn[n-]n3)CC2)C1 ZINC001588449251 1080030570 /nfs/dbraw/zinc/03/05/70/1080030570.db2.gz KQJXLNCWYWFKTH-UHFFFAOYSA-N -1 3 352.442 2.626 20 30 FFEDHM C=CC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H](CC)C1 ZINC001588469162 1080038500 /nfs/dbraw/zinc/03/85/00/1080038500.db2.gz XFYOHRCOSCSPIX-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H](CC)C1 ZINC001588469162 1080038509 /nfs/dbraw/zinc/03/85/09/1080038509.db2.gz XFYOHRCOSCSPIX-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](C)CCCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588475872 1080042705 /nfs/dbraw/zinc/04/27/05/1080042705.db2.gz PSOXFYHDVDGANM-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](C)CCCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588475872 1080042712 /nfs/dbraw/zinc/04/27/12/1080042712.db2.gz PSOXFYHDVDGANM-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001588476473 1080043876 /nfs/dbraw/zinc/04/38/76/1080043876.db2.gz XECZRNFPPKKJMG-HNNXBMFYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001588476473 1080043884 /nfs/dbraw/zinc/04/38/84/1080043884.db2.gz XECZRNFPPKKJMG-HNNXBMFYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCN(CC)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588483160 1080047108 /nfs/dbraw/zinc/04/71/08/1080047108.db2.gz APDDKOHXPRIZEH-UHFFFAOYSA-N -1 3 374.464 2.546 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCN(CC)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588483160 1080047116 /nfs/dbraw/zinc/04/71/16/1080047116.db2.gz APDDKOHXPRIZEH-UHFFFAOYSA-N -1 3 374.464 2.546 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588485243 1080050812 /nfs/dbraw/zinc/05/08/12/1080050812.db2.gz WTCTWCDSYKGGTN-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588485243 1080050820 /nfs/dbraw/zinc/05/08/20/1080050820.db2.gz WTCTWCDSYKGGTN-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588495272 1080057689 /nfs/dbraw/zinc/05/76/89/1080057689.db2.gz ARVYPVMZRRQODF-SPYBWZPUSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588495272 1080057696 /nfs/dbraw/zinc/05/76/96/1080057696.db2.gz ARVYPVMZRRQODF-SPYBWZPUSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@](C)(CC)C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588495276 1080058242 /nfs/dbraw/zinc/05/82/42/1080058242.db2.gz ASQCSOBYTXVEKR-DNVCBOLYSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C[C@](C)(CC)C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588495276 1080058253 /nfs/dbraw/zinc/05/82/53/1080058253.db2.gz ASQCSOBYTXVEKR-DNVCBOLYSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588524077 1080076787 /nfs/dbraw/zinc/07/67/87/1080076787.db2.gz OKXGOJRMOXZNKH-FVQBIDKESA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588524077 1080076796 /nfs/dbraw/zinc/07/67/96/1080076796.db2.gz OKXGOJRMOXZNKH-FVQBIDKESA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](COC)NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588526489 1080077782 /nfs/dbraw/zinc/07/77/82/1080077782.db2.gz XEDDVBVFTCEZOZ-VIFPVBQESA-N -1 3 350.448 2.548 20 30 FFEDHM C=C[C@@H](COC)NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588526489 1080077789 /nfs/dbraw/zinc/07/77/89/1080077789.db2.gz XEDDVBVFTCEZOZ-VIFPVBQESA-N -1 3 350.448 2.548 20 30 FFEDHM C=CC[C@@H](C(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001588530308 1080079369 /nfs/dbraw/zinc/07/93/69/1080079369.db2.gz JZELHGOKUJDUEK-LJQANCHMSA-N -1 3 374.448 2.849 20 30 FFEDHM C=CC[C@@H](C(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001588530308 1080079380 /nfs/dbraw/zinc/07/93/80/1080079380.db2.gz JZELHGOKUJDUEK-LJQANCHMSA-N -1 3 374.448 2.849 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588532957 1080084306 /nfs/dbraw/zinc/08/43/06/1080084306.db2.gz KCLDEUKTPKAACQ-LBPRGKRZSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588532957 1080084314 /nfs/dbraw/zinc/08/43/14/1080084314.db2.gz KCLDEUKTPKAACQ-LBPRGKRZSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC[C@@H](C)OC(=O)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588539621 1080086755 /nfs/dbraw/zinc/08/67/55/1080086755.db2.gz RRTRWLLSXBENNN-GFCCVEGCSA-N -1 3 359.405 2.730 20 30 FFEDHM C=CCC1(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588553200 1080093799 /nfs/dbraw/zinc/09/37/99/1080093799.db2.gz JAIYJVCOSRLVPM-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588553200 1080093807 /nfs/dbraw/zinc/09/38/07/1080093807.db2.gz JAIYJVCOSRLVPM-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(CNC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588557615 1080095036 /nfs/dbraw/zinc/09/50/36/1080095036.db2.gz QAIISUZQJUXSLZ-CQSZACIVSA-N -1 3 355.442 2.887 20 30 FFEDHM C=CCC1(O)CCN(c2nc3ccccc3c(C)c2-c2nnn[n-]2)CC1 ZINC001588559704 1080096196 /nfs/dbraw/zinc/09/61/96/1080096196.db2.gz LCDKFBALRZMZJZ-UHFFFAOYSA-N -1 3 350.426 2.631 20 30 FFEDHM C=CCC1(O)CCN(c2nc3ccccc3c(C)c2-c2nn[n-]n2)CC1 ZINC001588559704 1080096203 /nfs/dbraw/zinc/09/62/03/1080096203.db2.gz LCDKFBALRZMZJZ-UHFFFAOYSA-N -1 3 350.426 2.631 20 30 FFEDHM C=CCC1(O)CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CC1 ZINC001588557952 1080097224 /nfs/dbraw/zinc/09/72/24/1080097224.db2.gz XPGDCADYPIBRPQ-UHFFFAOYSA-N -1 3 350.426 2.631 20 30 FFEDHM C=CCC1(O)CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)CC1 ZINC001588557952 1080097234 /nfs/dbraw/zinc/09/72/34/1080097234.db2.gz XPGDCADYPIBRPQ-UHFFFAOYSA-N -1 3 350.426 2.631 20 30 FFEDHM C=CCCC(=O)N1CCC(CC)(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001588561861 1080098855 /nfs/dbraw/zinc/09/88/55/1080098855.db2.gz DXXSOFBYTQUDIZ-UHFFFAOYSA-N -1 3 373.436 2.550 20 30 FFEDHM C=CCCC(=O)N1CCC(CC)(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001588561861 1080098865 /nfs/dbraw/zinc/09/88/65/1080098865.db2.gz DXXSOFBYTQUDIZ-UHFFFAOYSA-N -1 3 373.436 2.550 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588566898 1080101462 /nfs/dbraw/zinc/10/14/62/1080101462.db2.gz OHKVRUGMXVOIRN-HOCLYGCPSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588566898 1080101465 /nfs/dbraw/zinc/10/14/65/1080101465.db2.gz OHKVRUGMXVOIRN-HOCLYGCPSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCC(=O)N[C@@H](C)CCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588570654 1080102977 /nfs/dbraw/zinc/10/29/77/1080102977.db2.gz AFSHJTDZLSLELG-NSHDSACASA-N -1 3 363.853 2.578 20 30 FFEDHM C=CCCC(=O)N[C@@H](C)CCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588570654 1080102982 /nfs/dbraw/zinc/10/29/82/1080102982.db2.gz AFSHJTDZLSLELG-NSHDSACASA-N -1 3 363.853 2.578 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588582050 1080107270 /nfs/dbraw/zinc/10/72/70/1080107270.db2.gz FXDJSIVFQFGBML-IBGZPJMESA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588582050 1080107274 /nfs/dbraw/zinc/10/72/74/1080107274.db2.gz FXDJSIVFQFGBML-IBGZPJMESA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCCC(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588587284 1080110975 /nfs/dbraw/zinc/11/09/75/1080110975.db2.gz SXMRSJPOZUCDPU-CQSZACIVSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CCCCC(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588587284 1080110978 /nfs/dbraw/zinc/11/09/78/1080110978.db2.gz SXMRSJPOZUCDPU-CQSZACIVSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CCCCCCCCNC(=O)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588593959 1080115617 /nfs/dbraw/zinc/11/56/17/1080115617.db2.gz NLIGXCCPFBVZAM-UHFFFAOYSA-N -1 3 362.459 2.510 20 30 FFEDHM C=CCCCCCCCNC(=O)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588593959 1080115622 /nfs/dbraw/zinc/11/56/22/1080115622.db2.gz NLIGXCCPFBVZAM-UHFFFAOYSA-N -1 3 362.459 2.510 20 30 FFEDHM C=CCCN(OCc1ccccc1)C(=O)c1cc([O-])cc(-c2nn[nH]n2)c1 ZINC001588603413 1080120704 /nfs/dbraw/zinc/12/07/04/1080120704.db2.gz NBFKZQIADGMFIL-UHFFFAOYSA-N -1 3 365.393 2.722 20 30 FFEDHM C=CCCOCCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001588617823 1080123723 /nfs/dbraw/zinc/12/37/23/1080123723.db2.gz BLTPDRNTZVJTCJ-UHFFFAOYSA-N -1 3 367.457 2.797 20 30 FFEDHM C=CCCOCCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001588617823 1080123726 /nfs/dbraw/zinc/12/37/26/1080123726.db2.gz BLTPDRNTZVJTCJ-UHFFFAOYSA-N -1 3 367.457 2.797 20 30 FFEDHM C=CCCSCCNC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588618031 1080123848 /nfs/dbraw/zinc/12/38/48/1080123848.db2.gz OSRFHORBIISIPA-UHFFFAOYSA-N -1 3 372.498 2.874 20 30 FFEDHM C=CCCSCCNC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588618031 1080123850 /nfs/dbraw/zinc/12/38/50/1080123850.db2.gz OSRFHORBIISIPA-UHFFFAOYSA-N -1 3 372.498 2.874 20 30 FFEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)cc1Br)[C@@H](C)COC ZINC001588635112 1080131010 /nfs/dbraw/zinc/13/10/10/1080131010.db2.gz DDLGNOBEQGRRPL-NSHDSACASA-N -1 3 366.263 2.652 20 30 FFEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)cc1Br)[C@@H](C)COC ZINC001588635112 1080131015 /nfs/dbraw/zinc/13/10/15/1080131015.db2.gz DDLGNOBEQGRRPL-NSHDSACASA-N -1 3 366.263 2.652 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001588635066 1080131068 /nfs/dbraw/zinc/13/10/68/1080131068.db2.gz CMLRSXCUKHIEKQ-UHFFFAOYSA-N -1 3 351.385 2.877 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001588635066 1080131072 /nfs/dbraw/zinc/13/10/72/1080131072.db2.gz CMLRSXCUKHIEKQ-UHFFFAOYSA-N -1 3 351.385 2.877 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(O)cc1C ZINC001588639616 1080132938 /nfs/dbraw/zinc/13/29/38/1080132938.db2.gz DBMQBPQVMXMOKJ-UHFFFAOYSA-N -1 3 363.421 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(O)cc1C ZINC001588639616 1080132940 /nfs/dbraw/zinc/13/29/40/1080132940.db2.gz DBMQBPQVMXMOKJ-UHFFFAOYSA-N -1 3 363.421 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](O)CC(C)(C)C ZINC001588640304 1080133148 /nfs/dbraw/zinc/13/31/48/1080133148.db2.gz OSFXJMLAIIEHMT-INIZCTEOSA-N -1 3 357.458 2.569 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](O)CC(C)(C)C ZINC001588640304 1080133154 /nfs/dbraw/zinc/13/31/54/1080133154.db2.gz OSFXJMLAIIEHMT-INIZCTEOSA-N -1 3 357.458 2.569 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)C(F)F ZINC001588641956 1080134744 /nfs/dbraw/zinc/13/47/44/1080134744.db2.gz QMICCSUTTQYQAJ-ZDUSSCGKSA-N -1 3 350.373 2.608 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)C(F)F ZINC001588641956 1080134747 /nfs/dbraw/zinc/13/47/47/1080134747.db2.gz QMICCSUTTQYQAJ-ZDUSSCGKSA-N -1 3 350.373 2.608 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC001588642183 1080135861 /nfs/dbraw/zinc/13/58/61/1080135861.db2.gz VVCCAARALFLTSE-CVEARBPZSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC001588642183 1080135864 /nfs/dbraw/zinc/13/58/64/1080135864.db2.gz VVCCAARALFLTSE-CVEARBPZSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCNc1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)c(C)c2)s1 ZINC001588666025 1080146515 /nfs/dbraw/zinc/14/65/15/1080146515.db2.gz XGUSUWJQTKZZTA-UHFFFAOYSA-N -1 3 356.411 2.587 20 30 FFEDHM C=CCNc1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)c(C)c2)s1 ZINC001588666025 1080146522 /nfs/dbraw/zinc/14/65/22/1080146522.db2.gz XGUSUWJQTKZZTA-UHFFFAOYSA-N -1 3 356.411 2.587 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001588690015 1080156683 /nfs/dbraw/zinc/15/66/83/1080156683.db2.gz WZMOZQBJCNITLU-UHFFFAOYSA-N -1 3 370.340 2.798 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001588690015 1080156686 /nfs/dbraw/zinc/15/66/86/1080156686.db2.gz WZMOZQBJCNITLU-UHFFFAOYSA-N -1 3 370.340 2.798 20 30 FFEDHM C=CCn1c(SCCc2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1 ZINC001588710783 1080166123 /nfs/dbraw/zinc/16/61/23/1080166123.db2.gz BHCSZFANJXYWOP-UHFFFAOYSA-N -1 3 353.455 2.856 20 30 FFEDHM C=CCn1c(SCCc2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC001588710783 1080166125 /nfs/dbraw/zinc/16/61/25/1080166125.db2.gz BHCSZFANJXYWOP-UHFFFAOYSA-N -1 3 353.455 2.856 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3cc(-c4nnn[n-]4)ccc3C)cc21 ZINC001588716857 1080167577 /nfs/dbraw/zinc/16/75/77/1080167577.db2.gz NVHGUUFODUYQNK-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3cc(-c4nn[n-]n4)ccc3C)cc21 ZINC001588716857 1080167583 /nfs/dbraw/zinc/16/75/83/1080167583.db2.gz NVHGUUFODUYQNK-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)ccc1Br)[C@H]1CCCCO1 ZINC001588777190 1080190822 /nfs/dbraw/zinc/19/08/22/1080190822.db2.gz ILZRGFSSHAODAQ-CYBMUJFWSA-N -1 3 365.235 2.986 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)ccc1Br)[C@H]1CCCCO1 ZINC001588777190 1080190827 /nfs/dbraw/zinc/19/08/27/1080190827.db2.gz ILZRGFSSHAODAQ-CYBMUJFWSA-N -1 3 365.235 2.986 20 30 FFEDHM C=CCN1CCC(NC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001588838338 1080214672 /nfs/dbraw/zinc/21/46/72/1080214672.db2.gz CVESFDZJSIEZIW-UHFFFAOYSA-N -1 3 371.437 2.623 20 30 FFEDHM CC(=O)Nc1ccc(C(C)=NOCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001588874384 1080225486 /nfs/dbraw/zinc/22/54/86/1080225486.db2.gz ICUUJFMAODGACJ-UHFFFAOYSA-N -1 3 368.372 2.905 20 30 FFEDHM CC(=O)Nc1ccc(C(C)=NOCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001588874384 1080225492 /nfs/dbraw/zinc/22/54/92/1080225492.db2.gz ICUUJFMAODGACJ-UHFFFAOYSA-N -1 3 368.372 2.905 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC001589257709 1080450406 /nfs/dbraw/zinc/45/04/06/1080450406.db2.gz LLTYQEIWXYKQND-UHFFFAOYSA-N -1 3 370.804 2.596 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC001589257709 1080450410 /nfs/dbraw/zinc/45/04/10/1080450410.db2.gz LLTYQEIWXYKQND-UHFFFAOYSA-N -1 3 370.804 2.596 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(C#N)cc1 ZINC001589696197 1080675543 /nfs/dbraw/zinc/67/55/43/1080675543.db2.gz PYAJFHKURJQFCA-UHFFFAOYSA-N -1 3 360.421 2.718 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(C#N)cc1 ZINC001589696197 1080675547 /nfs/dbraw/zinc/67/55/47/1080675547.db2.gz PYAJFHKURJQFCA-UHFFFAOYSA-N -1 3 360.421 2.718 20 30 FFEDHM C[C@@H](CC#Cc1cccnc1)OC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589786336 1080740080 /nfs/dbraw/zinc/74/00/80/1080740080.db2.gz HAOGMJKMMDWVPS-HNNXBMFYSA-N -1 3 373.416 2.667 20 30 FFEDHM C[C@@H](CC#Cc1cccnc1)OC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589786336 1080740085 /nfs/dbraw/zinc/74/00/85/1080740085.db2.gz HAOGMJKMMDWVPS-HNNXBMFYSA-N -1 3 373.416 2.667 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001590003347 1080930876 /nfs/dbraw/zinc/93/08/76/1080930876.db2.gz MVJPZFFACXLVGY-ACJLOTCBSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001590003347 1080930884 /nfs/dbraw/zinc/93/08/84/1080930884.db2.gz MVJPZFFACXLVGY-ACJLOTCBSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001590020663 1080946617 /nfs/dbraw/zinc/94/66/17/1080946617.db2.gz OFEWQNJRUROCFW-LLVKDONJSA-N -1 3 373.800 2.705 20 30 FFEDHM C[C@@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC001590035398 1080960283 /nfs/dbraw/zinc/96/02/83/1080960283.db2.gz GIISSWNIONTGGG-LLVKDONJSA-N -1 3 374.445 2.829 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1nc2ncccc2cc1C#N ZINC001590045912 1080972891 /nfs/dbraw/zinc/97/28/91/1080972891.db2.gz DUIJRGOMLOWJSP-GFCCVEGCSA-N -1 3 356.393 2.879 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1nc2ncccc2cc1C#N ZINC001590045912 1080972896 /nfs/dbraw/zinc/97/28/96/1080972896.db2.gz DUIJRGOMLOWJSP-GFCCVEGCSA-N -1 3 356.393 2.879 20 30 FFEDHM C[C@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001590055872 1080983217 /nfs/dbraw/zinc/98/32/17/1080983217.db2.gz XJFRHOFDSSRQAI-QGZVFWFLSA-N -1 3 373.342 2.962 20 30 FFEDHM C[C@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001590055872 1080983221 /nfs/dbraw/zinc/98/32/21/1080983221.db2.gz XJFRHOFDSSRQAI-QGZVFWFLSA-N -1 3 373.342 2.962 20 30 FFEDHM CC1(C)CCCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)[C@@H]1C#N ZINC001590095860 1081008148 /nfs/dbraw/zinc/00/81/48/1081008148.db2.gz BTZRIZKUECRSFO-CQSZACIVSA-N -1 3 362.384 2.982 20 30 FFEDHM CC1(C)CCCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)[C@@H]1C#N ZINC001590095860 1081008154 /nfs/dbraw/zinc/00/81/54/1081008154.db2.gz BTZRIZKUECRSFO-CQSZACIVSA-N -1 3 362.384 2.982 20 30 FFEDHM C=CCN(CC=C)[C@H](CNC(=O)N=c1nc2nc(C)cc(C)n2[n-]1)C(C)C ZINC000508056221 538925855 /nfs/dbraw/zinc/92/58/55/538925855.db2.gz WEUXKAZTVVTTPN-MRXNPFEDSA-N -1 3 371.489 2.561 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1N1CCOCC1 ZINC000181185972 251256393 /nfs/dbraw/zinc/25/63/93/251256393.db2.gz YWOIRBINZKYSQB-UHFFFAOYSA-N -1 3 357.435 2.504 20 30 FFEDHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000279143656 256386376 /nfs/dbraw/zinc/38/63/76/256386376.db2.gz YOEHDBATNUPMQP-CQSZACIVSA-N -1 3 365.437 2.774 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000288705886 257219496 /nfs/dbraw/zinc/21/94/96/257219496.db2.gz YXUVJLIQRQDIMD-ORAYPTAESA-N -1 3 351.406 2.847 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1cc(C)cc(C)c1 ZINC000289185341 257263704 /nfs/dbraw/zinc/26/37/04/257263704.db2.gz NQGGWQLJJISUEX-GOSISDBHSA-N -1 3 372.446 2.509 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000330875123 258172630 /nfs/dbraw/zinc/17/26/30/258172630.db2.gz UDBWBGZQLUAECI-YEJXKQKISA-N -1 3 373.497 2.902 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3F)C2)s1 ZINC000331635905 258194563 /nfs/dbraw/zinc/19/45/63/258194563.db2.gz QZERCXUDCLHBGR-LBPRGKRZSA-N -1 3 365.455 2.706 20 30 FFEDHM Cc1nn(C)c(C)c1NC(=O)C/N=C/c1cc(Br)ccc1[O-] ZINC000005335484 506436721 /nfs/dbraw/zinc/43/67/21/506436721.db2.gz YOWPUPNQCLCPHN-REZTVBANSA-N -1 3 365.231 2.563 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1ccc(C(F)(F)F)cn1 ZINC000041553512 506529947 /nfs/dbraw/zinc/52/99/47/506529947.db2.gz UMNNBFYSYGMIPK-LLVKDONJSA-N -1 3 361.279 2.921 20 30 FFEDHM Cc1cc(C)c2c(n1)nc(SCC(=O)Nc1ccc(C#N)cc1)[n-]c2=O ZINC000014354450 506987212 /nfs/dbraw/zinc/98/72/12/506987212.db2.gz GVGVQKGLBOJNMK-UHFFFAOYSA-N -1 3 365.418 2.950 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(Cl)cc1 ZINC000015514650 507043787 /nfs/dbraw/zinc/04/37/87/507043787.db2.gz WHRMNNVVNCFVDD-UHFFFAOYSA-N -1 3 357.841 2.808 20 30 FFEDHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1nnc(-c3ccccn3)[n-]1)C2 ZINC000064490261 507799828 /nfs/dbraw/zinc/79/98/28/507799828.db2.gz YZMFSAIEHZNZKA-GFCCVEGCSA-N -1 3 351.366 2.715 20 30 FFEDHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1nc(-c3ccccn3)n[n-]1)C2 ZINC000064490261 507799831 /nfs/dbraw/zinc/79/98/31/507799831.db2.gz YZMFSAIEHZNZKA-GFCCVEGCSA-N -1 3 351.366 2.715 20 30 FFEDHM COc1ccc2c(c1)OC[C@H](C(=O)Nc1n[n-]c(-c3ccccn3)n1)C2 ZINC000064490261 507799834 /nfs/dbraw/zinc/79/98/34/507799834.db2.gz YZMFSAIEHZNZKA-GFCCVEGCSA-N -1 3 351.366 2.715 20 30 FFEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000072499395 507800091 /nfs/dbraw/zinc/80/00/91/507800091.db2.gz SAJWMUJGIMTMNU-UHFFFAOYSA-N -1 3 364.327 2.849 20 30 FFEDHM C=CCOc1ccccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000091923867 508025064 /nfs/dbraw/zinc/02/50/64/508025064.db2.gz IXYSTOFZDBQFEZ-UHFFFAOYSA-N -1 3 352.434 2.915 20 30 FFEDHM C[C@@H](c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)N1CCOCC1 ZINC000111994961 508142996 /nfs/dbraw/zinc/14/29/96/508142996.db2.gz ZYUKJVZRNOIJMQ-HNNXBMFYSA-N -1 3 371.462 2.752 20 30 FFEDHM CCc1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)on1 ZINC000083538170 508247208 /nfs/dbraw/zinc/24/72/08/508247208.db2.gz YKLSTKAFGAVWGM-UHFFFAOYSA-N -1 3 359.329 2.606 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000127240104 508419200 /nfs/dbraw/zinc/41/92/00/508419200.db2.gz JVFZBMAEMVIOCS-MRXNPFEDSA-N -1 3 371.481 2.632 20 30 FFEDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000156873281 508490227 /nfs/dbraw/zinc/49/02/27/508490227.db2.gz YNOVVWXYMKJDRH-UHFFFAOYSA-N -1 3 359.407 2.870 20 30 FFEDHM COCCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000152766627 508511660 /nfs/dbraw/zinc/51/16/60/508511660.db2.gz DTRHWCRMOSDMKT-UHFFFAOYSA-N -1 3 362.373 2.672 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)c(F)c1 ZINC000134666261 508557254 /nfs/dbraw/zinc/55/72/54/508557254.db2.gz CAFAYRUNSWSJQO-AWEZNQCLSA-N -1 3 352.431 2.858 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000116860902 508568303 /nfs/dbraw/zinc/56/83/03/508568303.db2.gz QZJDIZQAVGJCBA-LLVKDONJSA-N -1 3 354.453 2.514 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccccc1SCC(N)=O ZINC000122963504 508615054 /nfs/dbraw/zinc/61/50/54/508615054.db2.gz DXGLLWWQRWGWRI-CYBMUJFWSA-N -1 3 364.430 2.641 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1[N+](=O)[O-] ZINC000123726595 508730370 /nfs/dbraw/zinc/73/03/70/508730370.db2.gz FBJHKJCKUBTACX-UHFFFAOYSA-N -1 3 367.770 2.929 20 30 FFEDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000158809366 508755121 /nfs/dbraw/zinc/75/51/21/508755121.db2.gz YRPQNDSVPHTIAQ-VIFPVBQESA-N -1 3 353.831 2.899 20 30 FFEDHM C=CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1cnccn1 ZINC000123987089 508767904 /nfs/dbraw/zinc/76/79/04/508767904.db2.gz ZIBPAUIVBYKOJL-NSHDSACASA-N -1 3 355.427 2.578 20 30 FFEDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cs1 ZINC000130223729 508805758 /nfs/dbraw/zinc/80/57/58/508805758.db2.gz UADDLCWRTFTSJH-UHFFFAOYSA-N -1 3 367.471 2.972 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccnc1OC(C)C ZINC000124753810 508880405 /nfs/dbraw/zinc/88/04/05/508880405.db2.gz FPEZZEYPKXYFGA-UHFFFAOYSA-N -1 3 354.410 2.617 20 30 FFEDHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151079397 508951804 /nfs/dbraw/zinc/95/18/04/508951804.db2.gz RVBXOHQQPJZBOK-JTQLQIEISA-N -1 3 352.362 2.885 20 30 FFEDHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000125696350 509017995 /nfs/dbraw/zinc/01/79/95/509017995.db2.gz UPLPRMGJEHEXNA-FBJOKTGGSA-N -1 3 374.915 2.570 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160780532 509031770 /nfs/dbraw/zinc/03/17/70/509031770.db2.gz KTAZUKGJMMZRSL-MRXNPFEDSA-N -1 3 371.481 2.794 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000120636510 509036025 /nfs/dbraw/zinc/03/60/25/509036025.db2.gz IRTQNZRRQNHXTI-UHFFFAOYSA-N -1 3 350.407 2.658 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000120636510 509036028 /nfs/dbraw/zinc/03/60/28/509036028.db2.gz IRTQNZRRQNHXTI-UHFFFAOYSA-N -1 3 350.407 2.658 20 30 FFEDHM N#C[C@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)CCN1Cc1ccccc1 ZINC000151759147 509077808 /nfs/dbraw/zinc/07/78/08/509077808.db2.gz BJDJKJYHFGIBJT-KRWDZBQOSA-N -1 3 369.852 2.825 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000156097204 509126597 /nfs/dbraw/zinc/12/65/97/509126597.db2.gz SQVAUTJMRGSSEG-MRXNPFEDSA-N -1 3 363.870 2.793 20 30 FFEDHM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)n1 ZINC000182561914 509305447 /nfs/dbraw/zinc/30/54/47/509305447.db2.gz MGUAJTDJLYPDHO-OAHLLOKOSA-N -1 3 356.389 2.859 20 30 FFEDHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)on1 ZINC000264132570 509344800 /nfs/dbraw/zinc/34/48/00/509344800.db2.gz OXEFQRLUEOFNKJ-AWEZNQCLSA-N -1 3 354.410 2.725 20 30 FFEDHM C=CCCCN(C)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000176404051 509490525 /nfs/dbraw/zinc/49/05/25/509490525.db2.gz QLKKBGLKMDNRPT-UHFFFAOYSA-N -1 3 350.440 2.775 20 30 FFEDHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189860631 509793733 /nfs/dbraw/zinc/79/37/33/509793733.db2.gz OXIIJCIYONBLLX-UHFFFAOYSA-N -1 3 350.422 2.576 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ncccc3C(F)(F)F)n2)cc1 ZINC000180210056 509814878 /nfs/dbraw/zinc/81/48/78/509814878.db2.gz HZYOYEPKUXMDFF-UHFFFAOYSA-N -1 3 372.310 2.864 20 30 FFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183561595 509861176 /nfs/dbraw/zinc/86/11/76/509861176.db2.gz APLIUCDQZOIIPG-UHFFFAOYSA-N -1 3 359.376 2.746 20 30 FFEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000186901966 509939198 /nfs/dbraw/zinc/93/91/98/509939198.db2.gz YDSGGDCSJIBFBJ-ZDUSSCGKSA-N -1 3 372.874 2.727 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)c(Cl)c1 ZINC000183719208 509942809 /nfs/dbraw/zinc/94/28/09/509942809.db2.gz HGVWESRTNCSVPK-OAHLLOKOSA-N -1 3 364.854 2.656 20 30 FFEDHM COCc1nc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n[n-]1 ZINC000268477888 509958472 /nfs/dbraw/zinc/95/84/72/509958472.db2.gz IFNVEJCXEBLZBQ-UHFFFAOYSA-N -1 3 359.455 2.607 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)c(Cl)c1 ZINC000193704665 510028386 /nfs/dbraw/zinc/02/83/86/510028386.db2.gz KSUICHSQKWUSDM-UHFFFAOYSA-N -1 3 374.809 2.740 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)n[n-]2)o1 ZINC000184277031 510235210 /nfs/dbraw/zinc/23/52/10/510235210.db2.gz HWBBQASNZUNRDB-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)[n-]n2)o1 ZINC000184277031 510235220 /nfs/dbraw/zinc/23/52/20/510235220.db2.gz HWBBQASNZUNRDB-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM N#Cc1cccnc1-n1cc(NC(=O)c2c[n-]nc2-c2ccccc2)cn1 ZINC000184285173 510240326 /nfs/dbraw/zinc/24/03/26/510240326.db2.gz GHWKDKIKVJQTPH-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM N#Cc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1[O-] ZINC000190761111 510329519 /nfs/dbraw/zinc/32/95/19/510329519.db2.gz ODUHGUFIJYTOGN-UHFFFAOYSA-N -1 3 353.397 2.797 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)OCC ZINC000270106187 510677955 /nfs/dbraw/zinc/67/79/55/510677955.db2.gz IBALHGSZGRRRCM-GOSISDBHSA-N -1 3 360.454 2.941 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000178792209 510774332 /nfs/dbraw/zinc/77/43/32/510774332.db2.gz UZGPVVBEAWBXPD-AWEZNQCLSA-N -1 3 364.854 2.656 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)ccc1F ZINC000294276706 511011381 /nfs/dbraw/zinc/01/13/81/511011381.db2.gz DPIOLZZUEXPEBM-INIZCTEOSA-N -1 3 351.403 2.610 20 30 FFEDHM CC[C@H]1CCCCN1CCNC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000330737086 511012968 /nfs/dbraw/zinc/01/29/68/511012968.db2.gz NSVGSWOUCILLMY-HNNXBMFYSA-N -1 3 367.515 2.936 20 30 FFEDHM C=CCC[C@H](C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O)c1ccccc1 ZINC000286329443 511022432 /nfs/dbraw/zinc/02/24/32/511022432.db2.gz VEFVPUUWJMTFNE-FIKGOQFSSA-N -1 3 369.465 2.716 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286492096 511025772 /nfs/dbraw/zinc/02/57/72/511025772.db2.gz WSEBAVLILOTPKK-YVEFUNNKSA-N -1 3 364.829 2.791 20 30 FFEDHM CCOC(=O)c1ccc(CS(=O)(=O)[N-]C2(C#N)CCCCC2)cc1 ZINC000294901309 511214760 /nfs/dbraw/zinc/21/47/60/511214760.db2.gz ANGZZSUOARFDLC-UHFFFAOYSA-N -1 3 350.440 2.509 20 30 FFEDHM C=C[C@@H](CO)NCc1cc(Br)cc(Br)c1[O-] ZINC000291532624 511235176 /nfs/dbraw/zinc/23/51/76/511235176.db2.gz KLAHPSNQUJYIKU-VIFPVBQESA-N -1 3 351.038 2.554 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000333702850 511329198 /nfs/dbraw/zinc/32/91/98/511329198.db2.gz OJMPTTCPDUQEPW-LBPRGKRZSA-N -1 3 354.859 2.839 20 30 FFEDHM C[C@@H](/N=C/c1ccc(O)c([O-])c1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000298625479 511353755 /nfs/dbraw/zinc/35/37/55/511353755.db2.gz BNQQFKZZUGGOQA-FZTAQKCPSA-N -1 3 370.405 2.641 20 30 FFEDHM C[C@H](/N=C/c1ccc(O)c([O-])c1O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000298625482 511353881 /nfs/dbraw/zinc/35/38/81/511353881.db2.gz BNQQFKZZUGGOQA-SQWLXVSWSA-N -1 3 370.405 2.641 20 30 FFEDHM CC[C@H](C)NC(=O)c1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000298672848 511369859 /nfs/dbraw/zinc/36/98/59/511369859.db2.gz UOJQFIQSHXETRV-PUFAJPFRSA-N -1 3 355.438 2.735 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1ccccn1 ZINC000295750192 511504314 /nfs/dbraw/zinc/50/43/14/511504314.db2.gz ODBOXPMXAADPPQ-UHFFFAOYSA-N -1 3 352.438 2.697 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000292459337 511605197 /nfs/dbraw/zinc/60/51/97/511605197.db2.gz YTFQCRXVCHOQPB-UHFFFAOYSA-N -1 3 365.199 2.644 20 30 FFEDHM C[C@@]1(c2cccc(-c3noc(C4(C#N)CCCCC4)n3)c2)NC(=O)[N-]C1=O ZINC000273871202 511639325 /nfs/dbraw/zinc/63/93/25/511639325.db2.gz NIIRVOHLOAMDKJ-SFHVURJKSA-N -1 3 365.393 2.517 20 30 FFEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C1(C)CC1)[n+]1cc([O-])ccc1F ZINC000284562881 511773349 /nfs/dbraw/zinc/77/33/49/511773349.db2.gz WLYWXBNKJKYDIP-UHFFFAOYSA-O -1 3 364.422 2.505 20 30 FFEDHM COc1cc(/C=C/C(=O)N2CC(C)(C#N)C2)cc(Br)c1[O-] ZINC000281448313 511851330 /nfs/dbraw/zinc/85/13/30/511851330.db2.gz BFBJTHDUPAUMPG-ONEGZZNKSA-N -1 3 351.200 2.549 20 30 FFEDHM O=C(Nc1ccccc1[O-])C1CCN(CC2CCS(=O)(=O)CC2)CC1 ZINC000329157151 511995367 /nfs/dbraw/zinc/99/53/67/511995367.db2.gz CHZBBQXXANOAQS-UHFFFAOYSA-N -1 3 366.483 2.517 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@@H]2CCCCS2)NC(=O)[N-]C1=O ZINC000329369799 512035726 /nfs/dbraw/zinc/03/57/26/512035726.db2.gz ILEZOJBMJODAAT-MQIPJXDCSA-N -1 3 354.476 2.683 20 30 FFEDHM O=C(NCC1(N2CCSCC2)CCCC1)c1csc(=NC2CC2)[n-]1 ZINC000329476948 512054719 /nfs/dbraw/zinc/05/47/19/512054719.db2.gz PQNAHOBDMVZQEW-UHFFFAOYSA-N -1 3 366.556 2.806 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CC2=CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000275265708 512091777 /nfs/dbraw/zinc/09/17/77/512091777.db2.gz KPYFKHGSVMZEDK-RGVLZGJSSA-N -1 3 361.442 2.574 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000372931471 513107088 /nfs/dbraw/zinc/10/70/88/513107088.db2.gz MDOWDCUOYCGKLY-KSSFIOAISA-N -1 3 360.410 2.753 20 30 FFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451028247 513468596 /nfs/dbraw/zinc/46/85/96/513468596.db2.gz RHIPAOSBWURXFY-ZDUSSCGKSA-N -1 3 361.236 2.700 20 30 FFEDHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(C)C ZINC000435431540 513582907 /nfs/dbraw/zinc/58/29/07/513582907.db2.gz DTGBSCJQUHXZHF-OAHLLOKOSA-N -1 3 353.513 2.597 20 30 FFEDHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000447938626 513632291 /nfs/dbraw/zinc/63/22/91/513632291.db2.gz BRFBCWSCTLBHRS-HNNXBMFYSA-N -1 3 355.891 2.610 20 30 FFEDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416408504 513755872 /nfs/dbraw/zinc/75/58/72/513755872.db2.gz QLPFKXGNINDAED-CHWSQXEVSA-N -1 3 373.272 2.557 20 30 FFEDHM C=CCn1c(S[C@H](Cc2ccc(F)c(F)c2F)C(C)=O)n[n-]c1=O ZINC000436212189 513796060 /nfs/dbraw/zinc/79/60/60/513796060.db2.gz UQJNXUXCWVAUDF-LLVKDONJSA-N -1 3 357.357 2.879 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000419480153 513821716 /nfs/dbraw/zinc/82/17/16/513821716.db2.gz MUIUGSAPDVRMRZ-LBPRGKRZSA-N -1 3 364.331 2.572 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000419480153 513821720 /nfs/dbraw/zinc/82/17/20/513821720.db2.gz MUIUGSAPDVRMRZ-LBPRGKRZSA-N -1 3 364.331 2.572 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000419480153 513821726 /nfs/dbraw/zinc/82/17/26/513821726.db2.gz MUIUGSAPDVRMRZ-LBPRGKRZSA-N -1 3 364.331 2.572 20 30 FFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1Cl ZINC000431184362 513848253 /nfs/dbraw/zinc/84/82/53/513848253.db2.gz SPUCAJNSBPAOSQ-UHFFFAOYSA-N -1 3 364.810 2.993 20 30 FFEDHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c([O-])c1 ZINC000436545839 513890816 /nfs/dbraw/zinc/89/08/16/513890816.db2.gz SQGPHEXVIXPOQN-INIZCTEOSA-N -1 3 367.430 2.726 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000451802914 513990618 /nfs/dbraw/zinc/99/06/18/513990618.db2.gz OGTLZRDLFQJULG-CYBMUJFWSA-N -1 3 359.875 3.000 20 30 FFEDHM COC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000451809920 513993318 /nfs/dbraw/zinc/99/33/18/513993318.db2.gz NEPINVPYGWYOHI-GFCCVEGCSA-N -1 3 370.883 2.982 20 30 FFEDHM C=CCOc1ccc(CN[C@H](Cn2nc(C)cc2C)C(=O)[O-])cc1Cl ZINC000426751058 514032374 /nfs/dbraw/zinc/03/23/74/514032374.db2.gz SGKABRVJXCOMFR-MRXNPFEDSA-N -1 3 363.845 2.961 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000416933646 514053718 /nfs/dbraw/zinc/05/37/18/514053718.db2.gz BEWIDVGTQUGTED-SFHVURJKSA-N -1 3 371.462 2.936 20 30 FFEDHM N#Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1Br ZINC000416950985 514062826 /nfs/dbraw/zinc/06/28/26/514062826.db2.gz MOMACAUIUVBTNW-LLVKDONJSA-N -1 3 359.245 2.632 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000432268164 514142038 /nfs/dbraw/zinc/14/20/38/514142038.db2.gz NSUCXAXRJXVHKZ-INIZCTEOSA-N -1 3 362.476 2.802 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCC1 ZINC000420702771 514249903 /nfs/dbraw/zinc/24/99/03/514249903.db2.gz SVCLJLSDTHVONO-UHFFFAOYSA-N -1 3 350.774 2.914 20 30 FFEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CCNCC1(F)F ZINC000423874480 514273002 /nfs/dbraw/zinc/27/30/02/514273002.db2.gz NLVIJVCNFNRVHV-RDDDGLTNSA-N -1 3 358.257 2.929 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000428222916 514426188 /nfs/dbraw/zinc/42/61/88/514426188.db2.gz AJUSWIGOCNWFGB-UHFFFAOYSA-N -1 3 364.839 2.695 20 30 FFEDHM CCOc1ncc(C)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000452673760 514450883 /nfs/dbraw/zinc/45/08/83/514450883.db2.gz DEFLNJJZLWCLRQ-UHFFFAOYSA-N -1 3 354.410 2.949 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCCc1ccc(F)c(F)c1 ZINC000428409063 514468420 /nfs/dbraw/zinc/46/84/20/514468420.db2.gz AYGIECOPNFTLBB-UHFFFAOYSA-N -1 3 351.378 2.533 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(Cl)cc12 ZINC000428409344 514469909 /nfs/dbraw/zinc/46/99/09/514469909.db2.gz MJQPPODGRZSSIU-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)c1sccc1Br ZINC000470821060 514627782 /nfs/dbraw/zinc/62/77/82/514627782.db2.gz FBNYTAZEUGOGFR-UHFFFAOYSA-N -1 3 360.258 2.969 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccsc1 ZINC000475555857 514715498 /nfs/dbraw/zinc/71/54/98/514715498.db2.gz ZBPOULHHYZTOSI-CQSZACIVSA-N -1 3 369.899 2.854 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)c1 ZINC000475796994 514813901 /nfs/dbraw/zinc/81/39/01/514813901.db2.gz YZUAYZTXUZXJFI-ZDUSSCGKSA-N -1 3 372.780 2.502 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(Cl)cc1 ZINC000489802726 514980650 /nfs/dbraw/zinc/98/06/50/514980650.db2.gz LDTYBPNMVDQFFG-MRXNPFEDSA-N -1 3 365.842 2.581 20 30 FFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(S(C)(=O)=O)cs3)nc21 ZINC000503405427 515022275 /nfs/dbraw/zinc/02/22/75/515022275.db2.gz ZPQKCPVJUAEWLQ-LLVKDONJSA-N -1 3 359.432 2.826 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000476398158 515035014 /nfs/dbraw/zinc/03/50/14/515035014.db2.gz DPOWDPZWSACYKH-OAHLLOKOSA-N -1 3 373.482 2.722 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c(Cl)c1 ZINC000503492634 515052609 /nfs/dbraw/zinc/05/26/09/515052609.db2.gz RZWUHBAWGNCEQR-OAHLLOKOSA-N -1 3 350.827 2.614 20 30 FFEDHM Cc1cccc(F)c1S(=O)(=O)[N-]Cc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000476514100 515081028 /nfs/dbraw/zinc/08/10/28/515081028.db2.gz WHJDVHVMNRLNAW-UHFFFAOYSA-N -1 3 370.409 2.874 20 30 FFEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)COc2ccccc2C#N)[n-]1 ZINC000485668397 515134431 /nfs/dbraw/zinc/13/44/31/515134431.db2.gz RTKVXZCIOAIBBN-UHFFFAOYSA-N -1 3 370.409 2.818 20 30 FFEDHM CCCCc1nc(NC(=O)COc2ccccc2C#N)c(C(=O)OCC)[n-]1 ZINC000485668397 515134442 /nfs/dbraw/zinc/13/44/42/515134442.db2.gz RTKVXZCIOAIBBN-UHFFFAOYSA-N -1 3 370.409 2.818 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000503843682 515150885 /nfs/dbraw/zinc/15/08/85/515150885.db2.gz GUMMLDLWFVXVET-CQSZACIVSA-N -1 3 371.245 2.877 20 30 FFEDHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[nH][n-]1 ZINC000472487760 515288430 /nfs/dbraw/zinc/28/84/30/515288430.db2.gz VFDDMXVMHXENAI-QGZVFWFLSA-N -1 3 355.401 3.000 20 30 FFEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCCCOc1cccc(C#N)c1 ZINC000477347647 515420170 /nfs/dbraw/zinc/42/01/70/515420170.db2.gz HROSPSZFMFYNCN-UHFFFAOYSA-N -1 3 359.407 2.710 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000499735025 515433395 /nfs/dbraw/zinc/43/33/95/515433395.db2.gz ANLIBSWOFOVLNZ-JTQLQIEISA-N -1 3 359.354 2.570 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)CC#N)cc1OC ZINC000459347635 515490042 /nfs/dbraw/zinc/49/00/42/515490042.db2.gz GJNNQQVILHWOQR-UHFFFAOYSA-N -1 3 368.459 2.518 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000469033005 515638560 /nfs/dbraw/zinc/63/85/60/515638560.db2.gz UQGTUWGXKGUIFH-LLVKDONJSA-N -1 3 352.437 2.514 20 30 FFEDHM C[C@H]1CCN(c2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccn2)C1 ZINC000478075846 515691647 /nfs/dbraw/zinc/69/16/47/515691647.db2.gz AQRJRDMJOLMSHM-HOCLYGCPSA-N -1 3 364.453 2.736 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c1 ZINC000464199617 515739966 /nfs/dbraw/zinc/73/99/66/515739966.db2.gz RSXVGXXSWBRVPN-UHFFFAOYSA-N -1 3 366.801 2.653 20 30 FFEDHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(C)C ZINC000478763772 515956725 /nfs/dbraw/zinc/95/67/25/515956725.db2.gz GSLVUGROBAKRNA-MRXNPFEDSA-N -1 3 372.874 2.858 20 30 FFEDHM Cc1cc(C)c2[n-]cc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)c(=O)c2c1 ZINC000483397288 516065798 /nfs/dbraw/zinc/06/57/98/516065798.db2.gz RERVRRDQZNSKBB-UHFFFAOYSA-N -1 3 373.412 2.920 20 30 FFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000479148822 516080053 /nfs/dbraw/zinc/08/00/53/516080053.db2.gz YVUCGUDJWLQYNL-GWCFXTLKSA-N -1 3 358.261 2.595 20 30 FFEDHM Cn1ncc2c1ncc(C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)c2[O-] ZINC000512050147 516131356 /nfs/dbraw/zinc/13/13/56/516131356.db2.gz RRMSVBSFUOEYNO-INIZCTEOSA-N -1 3 363.421 2.966 20 30 FFEDHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(C#N)ccc2Cl)s1 ZINC000513280622 516552973 /nfs/dbraw/zinc/55/29/73/516552973.db2.gz BQHHEHVZWLGKJO-UHFFFAOYSA-N -1 3 364.814 2.811 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551562275 516761161 /nfs/dbraw/zinc/76/11/61/516761161.db2.gz ZPQPBQHBIZCQHJ-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C ZINC000514540710 516939814 /nfs/dbraw/zinc/93/98/14/516939814.db2.gz TWXMTRLKBNSCMH-UHFFFAOYSA-N -1 3 360.435 2.887 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000537019784 517004361 /nfs/dbraw/zinc/00/43/61/517004361.db2.gz SNBKNQGPQHPJSS-VIFPVBQESA-N -1 3 368.680 2.565 20 30 FFEDHM Cc1nsc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)c1C#N ZINC000552051709 517050716 /nfs/dbraw/zinc/05/07/16/517050716.db2.gz CCWBGTFUOZSAAB-UHFFFAOYSA-N -1 3 350.394 2.629 20 30 FFEDHM Cc1ccnc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000514800275 517062953 /nfs/dbraw/zinc/06/29/53/517062953.db2.gz CVFKMEANUJWVEP-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM Cc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccc1Cl ZINC000541811990 517227739 /nfs/dbraw/zinc/22/77/39/517227739.db2.gz VLVNUQYPZOFDCI-UHFFFAOYSA-N -1 3 365.798 2.907 20 30 FFEDHM C=C(C)[C@H](Cc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1)OCC ZINC000545629140 517316371 /nfs/dbraw/zinc/31/63/71/517316371.db2.gz OOQVOKCMHMXPLB-AWEZNQCLSA-N -1 3 351.428 2.632 20 30 FFEDHM CC#CCN(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OCC ZINC000556692410 517576543 /nfs/dbraw/zinc/57/65/43/517576543.db2.gz IFQADDAIHFJOAQ-UHFFFAOYSA-N -1 3 364.467 2.544 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nccn1-c1ccccc1 ZINC000553551203 517775645 /nfs/dbraw/zinc/77/56/45/517775645.db2.gz LNXSLIRWDXJEGA-ZDUSSCGKSA-N -1 3 370.409 2.923 20 30 FFEDHM CC(C)c1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000553554883 517780652 /nfs/dbraw/zinc/78/06/52/517780652.db2.gz UEKVQHJPKKXRRK-CQSZACIVSA-N -1 3 359.451 2.822 20 30 FFEDHM N#CCN1CCC[C@@H](CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000530878602 518026533 /nfs/dbraw/zinc/02/65/33/518026533.db2.gz KZIANCDJAHMJOY-IBGZPJMESA-N -1 3 363.461 2.948 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO[C@@H]1C1CC1 ZINC000547340854 518088346 /nfs/dbraw/zinc/08/83/46/518088346.db2.gz YZSVROLAMDUWPB-HZPDHXFCSA-N -1 3 354.859 2.695 20 30 FFEDHM COc1cccc(Cc2nnc([N-]C(=O)c3cnccc3C#N)s2)c1 ZINC000557597190 518098121 /nfs/dbraw/zinc/09/81/21/518098121.db2.gz KVXPHIJCYJXXSJ-UHFFFAOYSA-N -1 3 351.391 2.656 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000531094102 518134151 /nfs/dbraw/zinc/13/41/51/518134151.db2.gz BAIYLFDHFAIOIE-UHFFFAOYSA-N -1 3 357.483 2.789 20 30 FFEDHM CC#CCCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000543605231 518150766 /nfs/dbraw/zinc/15/07/66/518150766.db2.gz LZBSDSFYTIDPHE-UHFFFAOYSA-N -1 3 368.524 2.892 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CC[C@@H](C)O3)no2)ccc1F ZINC000528248418 518155218 /nfs/dbraw/zinc/15/52/18/518155218.db2.gz SPEHJJUEXKYVKA-ZWNOBZJWSA-N -1 3 367.402 2.580 20 30 FFEDHM N#Cc1ccc(Nc2cccc(C(=O)N3CCc4c(nc[n-]c4=O)C3)c2)cc1 ZINC000570005318 518396597 /nfs/dbraw/zinc/39/65/97/518396597.db2.gz JJLVBCMIOJJTFW-UHFFFAOYSA-N -1 3 371.400 2.996 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)cn1 ZINC000579177942 518554249 /nfs/dbraw/zinc/55/42/49/518554249.db2.gz YENDKYHGGDISDL-CYBMUJFWSA-N -1 3 369.368 2.653 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1nc(C2CC2)no1 ZINC000567770119 518701326 /nfs/dbraw/zinc/70/13/26/518701326.db2.gz YZDKFHDRDFBLFI-INIZCTEOSA-N -1 3 374.466 2.830 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CN2CCCCC2)c2ccccc2)o1 ZINC000588131813 518732635 /nfs/dbraw/zinc/73/26/35/518732635.db2.gz BFHYKEHFIBNTPY-QGZVFWFLSA-N -1 3 359.451 2.657 20 30 FFEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000576868611 518803039 /nfs/dbraw/zinc/80/30/39/518803039.db2.gz SWOSPBAGLKMDBD-CQSZACIVSA-N -1 3 373.416 2.558 20 30 FFEDHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1F ZINC000570852084 518811555 /nfs/dbraw/zinc/81/15/55/518811555.db2.gz ZZHWHCNUABODCM-CZUORRHYSA-N -1 3 354.447 2.641 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)CCCCC1 ZINC000582927665 518991280 /nfs/dbraw/zinc/99/12/80/518991280.db2.gz RFFPEUBGPSEPQS-OAHLLOKOSA-N -1 3 352.431 2.523 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)cc1Br ZINC000565517785 518993713 /nfs/dbraw/zinc/99/37/13/518993713.db2.gz JWEBELKLZOGGHW-UHFFFAOYSA-N -1 3 371.187 2.966 20 30 FFEDHM Cc1csc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1C#N ZINC000565607931 519042717 /nfs/dbraw/zinc/04/27/17/519042717.db2.gz RLLNFKFRIZHTHC-UHFFFAOYSA-N -1 3 370.434 2.624 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1cc(OC)ccc1Br ZINC000577600679 519161231 /nfs/dbraw/zinc/16/12/31/519161231.db2.gz OQTVIYHDXLGHIA-LLVKDONJSA-N -1 3 361.261 2.569 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)CCC1 ZINC000571686688 519220601 /nfs/dbraw/zinc/22/06/01/519220601.db2.gz DQHYOPPZUGCVMA-LBPRGKRZSA-N -1 3 363.266 2.640 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590557719 519264622 /nfs/dbraw/zinc/26/46/22/519264622.db2.gz GRPGDLUFSXMUSC-UHFFFAOYSA-N -1 3 366.377 2.946 20 30 FFEDHM COc1ccc(-c2nc(Sc3nc(C)cc(C#N)n3)n[n-]2)c(OC)c1 ZINC000571787422 519275323 /nfs/dbraw/zinc/27/53/23/519275323.db2.gz PESLKTLTAMKNQL-UHFFFAOYSA-N -1 3 354.395 2.610 20 30 FFEDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n1 ZINC000590747679 519346840 /nfs/dbraw/zinc/34/68/40/519346840.db2.gz GWXCBKCYCOZLOL-UHFFFAOYSA-N -1 3 352.847 2.662 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1noc2ccccc12 ZINC000575105209 519502367 /nfs/dbraw/zinc/50/23/67/519502367.db2.gz USDQGVPMLJPCIF-UHFFFAOYSA-N -1 3 350.378 2.666 20 30 FFEDHM Cc1ccc2c(CN3CCN(c4cnccc4C#N)CC3)ccc([O-])c2n1 ZINC000572340920 519563982 /nfs/dbraw/zinc/56/39/82/519563982.db2.gz QDCXVELTKHHLDC-UHFFFAOYSA-N -1 3 359.433 2.838 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594486844 519996078 /nfs/dbraw/zinc/99/60/78/519996078.db2.gz JQOBMVFNUHLOHV-JSGCOSHPSA-N -1 3 362.373 2.645 20 30 FFEDHM Cn1cc(Br)c(=NC(=O)NC(C)(C)c2cccc(C#N)c2)[n-]1 ZINC000603046452 520046808 /nfs/dbraw/zinc/04/68/08/520046808.db2.gz BJDBZCIZOPHOEF-UHFFFAOYSA-N -1 3 362.231 2.533 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594721374 520112131 /nfs/dbraw/zinc/11/21/31/520112131.db2.gz RWBYYZBIWLWRIW-LBPRGKRZSA-N -1 3 363.252 2.946 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O ZINC000594760954 520140195 /nfs/dbraw/zinc/14/01/95/520140195.db2.gz AGTOACCMHDTOCU-ZIAGYGMSSA-N -1 3 350.465 2.663 20 30 FFEDHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000608834136 520140521 /nfs/dbraw/zinc/14/05/21/520140521.db2.gz VIRZJGYXZCSISL-JQWIXIFHSA-N -1 3 362.373 2.813 20 30 FFEDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)o1 ZINC000594760585 520141173 /nfs/dbraw/zinc/14/11/73/520141173.db2.gz RGGVPWOADXAQBE-SECBINFHSA-N -1 3 362.436 2.812 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C)C1 ZINC000594766521 520144009 /nfs/dbraw/zinc/14/40/09/520144009.db2.gz CZXGDYYICSCHOA-ZWNOBZJWSA-N -1 3 350.465 2.927 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@H](O)C(F)F ZINC000594777234 520151458 /nfs/dbraw/zinc/15/14/58/520151458.db2.gz PIOPGMVMWLTUCO-AAEUAGOBSA-N -1 3 374.434 2.764 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C)O1 ZINC000594785606 520156068 /nfs/dbraw/zinc/15/60/68/520156068.db2.gz SIGAYEDZIVTHSZ-GXFFZTMASA-N -1 3 350.465 2.927 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)C1(CO)CC1 ZINC000594827020 520174634 /nfs/dbraw/zinc/17/46/34/520174634.db2.gz KIYLEQRZVPCJDX-LLVKDONJSA-N -1 3 350.465 2.521 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CCOCC1 ZINC000594843917 520184280 /nfs/dbraw/zinc/18/42/80/520184280.db2.gz DZLHGHQALQAVDJ-UHFFFAOYSA-N -1 3 373.858 2.530 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCCCC1 ZINC000594884903 520205897 /nfs/dbraw/zinc/20/58/97/520205897.db2.gz YMQMGUQOUOXDHI-UHFFFAOYSA-N -1 3 374.422 2.895 20 30 FFEDHM N#CC[C@@]1(O)CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000592148893 520226142 /nfs/dbraw/zinc/22/61/42/520226142.db2.gz DXDXPEJGCUOLFH-LJQANCHMSA-N -1 3 366.446 2.914 20 30 FFEDHM N#CC[C@]1(O)CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000592149799 520226320 /nfs/dbraw/zinc/22/63/20/520226320.db2.gz WPRDNDJSMUFZMY-IBGZPJMESA-N -1 3 366.446 2.914 20 30 FFEDHM Cc1nc(SCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(C#N)c(C)c1C ZINC000597841655 520273198 /nfs/dbraw/zinc/27/31/98/520273198.db2.gz IWWYKDSCKNYIIN-HNNXBMFYSA-N -1 3 371.466 2.606 20 30 FFEDHM COC(=O)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCCC1 ZINC000598007287 520372940 /nfs/dbraw/zinc/37/29/40/520372940.db2.gz XJGJVCBKZSVZSZ-UHFFFAOYSA-N -1 3 373.453 2.543 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600774418 520461635 /nfs/dbraw/zinc/46/16/35/520461635.db2.gz QQZYNAOFKNYKBU-INIZCTEOSA-N -1 3 365.433 2.930 20 30 FFEDHM N#CC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCCCC1 ZINC000598310133 520551586 /nfs/dbraw/zinc/55/15/86/520551586.db2.gz CZYWJAQRCILJFY-INIZCTEOSA-N -1 3 355.438 2.587 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccon2)CC1 ZINC000598398929 520597548 /nfs/dbraw/zinc/59/75/48/520597548.db2.gz GJSKIVQOQYFPCK-UHFFFAOYSA-N -1 3 354.410 2.603 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000598456934 520627269 /nfs/dbraw/zinc/62/72/69/520627269.db2.gz LOMAZRGOWQYCOB-LSTHTHJFSA-N -1 3 365.408 2.802 20 30 FFEDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000592948791 520657030 /nfs/dbraw/zinc/65/70/30/520657030.db2.gz ARWKJPFGIKKFDB-AWEZNQCLSA-N -1 3 355.417 2.739 20 30 FFEDHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593535504 521059266 /nfs/dbraw/zinc/05/92/66/521059266.db2.gz LJARRXQCXOAFIW-UKRRQHHQSA-N -1 3 361.492 2.734 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000593538694 521060503 /nfs/dbraw/zinc/06/05/03/521060503.db2.gz URIISDZMHOWJBF-GFCCVEGCSA-N -1 3 365.455 2.564 20 30 FFEDHM COc1cc(F)c([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593545850 521066400 /nfs/dbraw/zinc/06/64/00/521066400.db2.gz XTROODHXPFQXTA-VIFPVBQESA-N -1 3 370.427 2.816 20 30 FFEDHM CCOc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)CCO2 ZINC000593583382 521090789 /nfs/dbraw/zinc/09/07/89/521090789.db2.gz HCANEQZVASMBAE-ZDUSSCGKSA-N -1 3 364.448 2.821 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000593606744 521103080 /nfs/dbraw/zinc/10/30/80/521103080.db2.gz XUZOXBAKKXRGCB-CQSZACIVSA-N -1 3 368.505 2.863 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CCCC1 ZINC000593619723 521111682 /nfs/dbraw/zinc/11/16/82/521111682.db2.gz BVJLPDXGRCGOFX-UHFFFAOYSA-N -1 3 367.858 2.587 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c(F)c1 ZINC000618715106 521194921 /nfs/dbraw/zinc/19/49/21/521194921.db2.gz AKNYLWSIAOHOFM-QGZVFWFLSA-N -1 3 373.409 2.622 20 30 FFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCc2cc(C#N)ccc21 ZINC000618715817 521196823 /nfs/dbraw/zinc/19/68/23/521196823.db2.gz CLPNGHNWAYNARJ-HNNXBMFYSA-N -1 3 357.391 2.741 20 30 FFEDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)[n-]2)o1 ZINC000611522358 521200413 /nfs/dbraw/zinc/20/04/13/521200413.db2.gz YFYWIQIMBXRSAT-OAHLLOKOSA-N -1 3 362.393 2.852 20 30 FFEDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)n2)o1 ZINC000611522358 521200418 /nfs/dbraw/zinc/20/04/18/521200418.db2.gz YFYWIQIMBXRSAT-OAHLLOKOSA-N -1 3 362.393 2.852 20 30 FFEDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)n[n-]2)o1 ZINC000611522358 521200423 /nfs/dbraw/zinc/20/04/23/521200423.db2.gz YFYWIQIMBXRSAT-OAHLLOKOSA-N -1 3 362.393 2.852 20 30 FFEDHM Cc1cc2c(cc1C#N)[nH]nc2NC([O-])=C(C[C@H]1CCCO1)C(F)(F)F ZINC000593849880 521249199 /nfs/dbraw/zinc/24/91/99/521249199.db2.gz RBXVYESOBFQQCL-DGCLKSJQSA-N -1 3 366.343 2.851 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000615451883 521410306 /nfs/dbraw/zinc/41/03/06/521410306.db2.gz KNVJJQRPHXYWMQ-NSHDSACASA-N -1 3 364.448 2.754 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000612172598 521518027 /nfs/dbraw/zinc/51/80/27/521518027.db2.gz AZXRGPGHNLLQMW-LBPRGKRZSA-N -1 3 370.764 2.902 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncc(N2CCCC2=O)c1 ZINC000626283700 522074953 /nfs/dbraw/zinc/07/49/53/522074953.db2.gz JZXFNTPGHAMSDH-OAHLLOKOSA-N -1 3 359.389 2.585 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNc2ncccc2-c2nnn[n-]2)ccc1OC ZINC000736309273 598830126 /nfs/dbraw/zinc/83/01/26/598830126.db2.gz MUXWTBJEIDYSQD-CYBMUJFWSA-N -1 3 365.397 2.563 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNc2ncccc2-c2nn[n-]n2)ccc1OC ZINC000736309273 598830127 /nfs/dbraw/zinc/83/01/27/598830127.db2.gz MUXWTBJEIDYSQD-CYBMUJFWSA-N -1 3 365.397 2.563 20 30 FFEDHM Cc1cccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737401273 598918205 /nfs/dbraw/zinc/91/82/05/598918205.db2.gz MQGSOIAQXMWWGI-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM Cc1cccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737401273 598918208 /nfs/dbraw/zinc/91/82/08/598918208.db2.gz MQGSOIAQXMWWGI-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2ccccc2n1 ZINC000737236914 598920471 /nfs/dbraw/zinc/92/04/71/598920471.db2.gz UTDHSEWHKYHKHX-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2ccccc2n1 ZINC000737236914 598920472 /nfs/dbraw/zinc/92/04/72/598920472.db2.gz UTDHSEWHKYHKHX-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM N#Cc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737704426 598925693 /nfs/dbraw/zinc/92/56/93/598925693.db2.gz IFUIQDIBTOOPEY-UHFFFAOYSA-N -1 3 368.397 2.998 20 30 FFEDHM N#Cc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737704426 598925694 /nfs/dbraw/zinc/92/56/94/598925694.db2.gz IFUIQDIBTOOPEY-UHFFFAOYSA-N -1 3 368.397 2.998 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC000737718725 598927374 /nfs/dbraw/zinc/92/73/74/598927374.db2.gz MMXKYQXYPSOOFP-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nn[n-]n1 ZINC000737718725 598927376 /nfs/dbraw/zinc/92/73/76/598927376.db2.gz MMXKYQXYPSOOFP-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM COc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1OC(F)F ZINC000821862927 607253846 /nfs/dbraw/zinc/25/38/46/607253846.db2.gz GNWBKAYKYGSMJL-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM COc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1OC(F)F ZINC000821862927 607253847 /nfs/dbraw/zinc/25/38/47/607253847.db2.gz GNWBKAYKYGSMJL-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM COc1cc(C#N)ccc1OCCOc1ccc(-c2nn[n-]n2)cc1C ZINC000737035930 598979679 /nfs/dbraw/zinc/97/96/79/598979679.db2.gz ZFBXPVWTMCPQOF-UHFFFAOYSA-N -1 3 351.366 2.513 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000736192926 599063203 /nfs/dbraw/zinc/06/32/03/599063203.db2.gz NPRMPWYBTXYHGW-LLVKDONJSA-N -1 3 374.445 2.829 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000736192926 599063207 /nfs/dbraw/zinc/06/32/07/599063207.db2.gz NPRMPWYBTXYHGW-LLVKDONJSA-N -1 3 374.445 2.829 20 30 FFEDHM O=C1c2ccc(Cl)cc2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823504743 599112396 /nfs/dbraw/zinc/11/23/96/599112396.db2.gz UCWBFSJYKBFBNJ-GHXNOFRVSA-N -1 3 362.780 2.990 20 30 FFEDHM O=C1c2ccc(Cl)cc2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000823504743 599112399 /nfs/dbraw/zinc/11/23/99/599112399.db2.gz UCWBFSJYKBFBNJ-GHXNOFRVSA-N -1 3 362.780 2.990 20 30 FFEDHM COc1ccc(C=C2COc3ccc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737081557 599154848 /nfs/dbraw/zinc/15/48/48/599154848.db2.gz GFTHVMVTLLXVNZ-IZZDOVSWSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1ccc(C=C2COc3ccc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737081557 599154851 /nfs/dbraw/zinc/15/48/51/599154851.db2.gz GFTHVMVTLLXVNZ-IZZDOVSWSA-N -1 3 352.325 2.673 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000737715867 599200651 /nfs/dbraw/zinc/20/06/51/599200651.db2.gz GACBGYXGMGGBEO-STQMWFEESA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000737715867 599200653 /nfs/dbraw/zinc/20/06/53/599200653.db2.gz GACBGYXGMGGBEO-STQMWFEESA-N -1 3 366.331 2.759 20 30 FFEDHM N#CCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737695036 599200784 /nfs/dbraw/zinc/20/07/84/599200784.db2.gz IVHVWCWKUDOSEP-UHFFFAOYSA-N -1 3 354.757 2.566 20 30 FFEDHM N#CCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737695036 599200785 /nfs/dbraw/zinc/20/07/85/599200785.db2.gz IVHVWCWKUDOSEP-UHFFFAOYSA-N -1 3 354.757 2.566 20 30 FFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736244549 599201809 /nfs/dbraw/zinc/20/18/09/599201809.db2.gz JYFKZDKYOYAAIP-UGSOOPFHSA-N -1 3 370.482 2.689 20 30 FFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736244549 599201811 /nfs/dbraw/zinc/20/18/11/599201811.db2.gz JYFKZDKYOYAAIP-UGSOOPFHSA-N -1 3 370.482 2.689 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820350428 599261948 /nfs/dbraw/zinc/26/19/48/599261948.db2.gz KSDYHWRLOWJNKG-OLZOCXBDSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820350428 599261950 /nfs/dbraw/zinc/26/19/50/599261950.db2.gz KSDYHWRLOWJNKG-OLZOCXBDSA-N -1 3 361.409 2.860 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000821763267 599275175 /nfs/dbraw/zinc/27/51/75/599275175.db2.gz XCZRTRIVYOYMQM-NSHDSACASA-N -1 3 363.381 2.630 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000821763267 599275177 /nfs/dbraw/zinc/27/51/77/599275177.db2.gz XCZRTRIVYOYMQM-NSHDSACASA-N -1 3 363.381 2.630 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819709486 599280611 /nfs/dbraw/zinc/28/06/11/599280611.db2.gz GPSFLYROCKUFIG-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819709486 599280614 /nfs/dbraw/zinc/28/06/14/599280614.db2.gz GPSFLYROCKUFIG-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735387803 598417584 /nfs/dbraw/zinc/41/75/84/598417584.db2.gz GPCIFTNPBHNPOS-AWEZNQCLSA-N -1 3 362.389 2.726 20 30 FFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735387803 598417585 /nfs/dbraw/zinc/41/75/85/598417585.db2.gz GPCIFTNPBHNPOS-AWEZNQCLSA-N -1 3 362.389 2.726 20 30 FFEDHM C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nnn[n-]4)cn3)sc2C1 ZINC000736278219 598436553 /nfs/dbraw/zinc/43/65/53/598436553.db2.gz FSHOBAQKXWTUFO-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)cn3)sc2C1 ZINC000736278219 598436555 /nfs/dbraw/zinc/43/65/55/598436555.db2.gz FSHOBAQKXWTUFO-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000736167206 598492033 /nfs/dbraw/zinc/49/20/33/598492033.db2.gz CKRKXWANJAVGDU-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C=C1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735403547 598512484 /nfs/dbraw/zinc/51/24/84/598512484.db2.gz YKWDQAMDNKRNPR-UHFFFAOYSA-N -1 3 365.393 2.831 20 30 FFEDHM C=C1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735403547 598512485 /nfs/dbraw/zinc/51/24/85/598512485.db2.gz YKWDQAMDNKRNPR-UHFFFAOYSA-N -1 3 365.393 2.831 20 30 FFEDHM CC[C@@](C)(C#N)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736312075 598611335 /nfs/dbraw/zinc/61/13/35/598611335.db2.gz FFIPOVIMAHRWIQ-IBGZPJMESA-N -1 3 363.425 2.696 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203511 598639859 /nfs/dbraw/zinc/63/98/59/598639859.db2.gz VAMHCIPAWYCDHY-XQRVVYSFSA-N -1 3 361.405 2.754 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203511 598639862 /nfs/dbraw/zinc/63/98/62/598639862.db2.gz VAMHCIPAWYCDHY-XQRVVYSFSA-N -1 3 361.405 2.754 20 30 FFEDHM c1ccc2c(c1)OCCC2=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738441506 598699355 /nfs/dbraw/zinc/69/93/55/598699355.db2.gz KONHGNGGBHTVOQ-UHFFFAOYSA-N -1 3 365.393 2.839 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735436540 598713641 /nfs/dbraw/zinc/71/36/41/598713641.db2.gz MVCKGOUOBPCYJU-UHFFFAOYSA-N -1 3 350.382 2.753 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735436540 598713643 /nfs/dbraw/zinc/71/36/43/598713643.db2.gz MVCKGOUOBPCYJU-UHFFFAOYSA-N -1 3 350.382 2.753 20 30 FFEDHM C=CCN(CC(=O)Nc1sccc1-c1nnn[n-]1)CC1CCCCC1 ZINC000735416381 598755900 /nfs/dbraw/zinc/75/59/00/598755900.db2.gz HYLWFVBGHKSNPX-UHFFFAOYSA-N -1 3 360.487 2.935 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCC#N ZINC000735830480 598777047 /nfs/dbraw/zinc/77/70/47/598777047.db2.gz GUIFGBLPSMLNQE-UHFFFAOYSA-N -1 3 355.446 2.728 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCC#N ZINC000735830480 598777049 /nfs/dbraw/zinc/77/70/49/598777049.db2.gz GUIFGBLPSMLNQE-UHFFFAOYSA-N -1 3 355.446 2.728 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000737062121 598820455 /nfs/dbraw/zinc/82/04/55/598820455.db2.gz GPXHGRAUGOYIEW-UHFFFAOYSA-N -1 3 373.376 2.606 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000737062121 598820456 /nfs/dbraw/zinc/82/04/56/598820456.db2.gz GPXHGRAUGOYIEW-UHFFFAOYSA-N -1 3 373.376 2.606 20 30 FFEDHM Fc1cccc(C=NOCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822786045 599383485 /nfs/dbraw/zinc/38/34/85/599383485.db2.gz BRGWNXMTDDREMQ-UHFFFAOYSA-N -1 3 365.328 2.607 20 30 FFEDHM Fc1cccc(C=NOCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822786045 599383486 /nfs/dbraw/zinc/38/34/86/599383486.db2.gz BRGWNXMTDDREMQ-UHFFFAOYSA-N -1 3 365.328 2.607 20 30 FFEDHM C=C(Cl)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735402627 599389522 /nfs/dbraw/zinc/38/95/22/599389522.db2.gz ZUFWICMQZWNJIN-UHFFFAOYSA-N -1 3 359.773 2.521 20 30 FFEDHM C=C(Cl)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735402627 599389526 /nfs/dbraw/zinc/38/95/26/599389526.db2.gz ZUFWICMQZWNJIN-UHFFFAOYSA-N -1 3 359.773 2.521 20 30 FFEDHM Clc1cnc(N=NCc2cnc3ccc(-c4nnn[n-]4)cn23)c(Cl)c1 ZINC000737584009 599458198 /nfs/dbraw/zinc/45/81/98/599458198.db2.gz PMMMJRYBFOCSEF-UHFFFAOYSA-N -1 3 374.195 2.662 20 30 FFEDHM Clc1cnc(N=NCc2cnc3ccc(-c4nn[n-]n4)cn23)c(Cl)c1 ZINC000737584009 599458202 /nfs/dbraw/zinc/45/82/02/599458202.db2.gz PMMMJRYBFOCSEF-UHFFFAOYSA-N -1 3 374.195 2.662 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826277901 607393651 /nfs/dbraw/zinc/39/36/51/607393651.db2.gz LDXRYYZBVSTZGN-UHFFFAOYSA-N -1 3 359.393 2.858 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826277901 607393652 /nfs/dbraw/zinc/39/36/52/607393652.db2.gz LDXRYYZBVSTZGN-UHFFFAOYSA-N -1 3 359.393 2.858 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000826252139 607400191 /nfs/dbraw/zinc/40/01/91/607400191.db2.gz QNOHHNDHGYGBQE-AWEZNQCLSA-N -1 3 365.368 2.854 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000826252139 607400193 /nfs/dbraw/zinc/40/01/93/607400193.db2.gz QNOHHNDHGYGBQE-AWEZNQCLSA-N -1 3 365.368 2.854 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2sccc2C#N)cc1-c1nnn[n-]1 ZINC000820174641 607406626 /nfs/dbraw/zinc/40/66/26/607406626.db2.gz UWYZXOYHZSKKTE-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2sccc2C#N)cc1-c1nn[n-]n1 ZINC000820174641 607406627 /nfs/dbraw/zinc/40/66/27/607406627.db2.gz UWYZXOYHZSKKTE-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000830518637 601384915 /nfs/dbraw/zinc/38/49/15/601384915.db2.gz GWHONVIBZGKXOG-HOTGVXAUSA-N -1 3 359.426 2.625 20 30 FFEDHM C=CCn1c(CCN2CCCCC2)nnc1SC/C=C(/C)C(=O)[O-] ZINC000825711078 601405706 /nfs/dbraw/zinc/40/57/06/601405706.db2.gz NOSAEVDTTYIRSA-ZSOIEALJSA-N -1 3 350.488 2.616 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000827590144 604220992 /nfs/dbraw/zinc/22/09/92/604220992.db2.gz XVSWRVGLXWTVNX-CWRNSKLLSA-N -1 3 357.410 2.723 20 30 FFEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cn2)cc1 ZINC000826386317 607699971 /nfs/dbraw/zinc/69/99/71/607699971.db2.gz YWIZQTOHWCKRJJ-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cn2)cc1 ZINC000826386317 607699972 /nfs/dbraw/zinc/69/99/72/607699972.db2.gz YWIZQTOHWCKRJJ-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM NC(=NOCc1cn2ccccc2c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000822850931 606176269 /nfs/dbraw/zinc/17/62/69/606176269.db2.gz UDSBRUKFGOOLHO-UHFFFAOYSA-N -1 3 367.800 2.610 20 30 FFEDHM NC(=NOCc1cn2ccccc2c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000822850931 606176270 /nfs/dbraw/zinc/17/62/70/606176270.db2.gz UDSBRUKFGOOLHO-UHFFFAOYSA-N -1 3 367.800 2.610 20 30 FFEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(C#N)cc3)c2c1 ZINC000822196612 606221757 /nfs/dbraw/zinc/22/17/57/606221757.db2.gz PZNFGBBAZQEZGB-UHFFFAOYSA-N -1 3 355.405 2.937 20 30 FFEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(C#N)cc3)c2c1 ZINC000822196612 606221758 /nfs/dbraw/zinc/22/17/58/606221758.db2.gz PZNFGBBAZQEZGB-UHFFFAOYSA-N -1 3 355.405 2.937 20 30 FFEDHM C=CCCCC(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000819735013 606236128 /nfs/dbraw/zinc/23/61/28/606236128.db2.gz YOXABOQDBFGHHR-UHFFFAOYSA-N -1 3 352.398 2.760 20 30 FFEDHM N#Cc1cccnc1NCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822842516 606461573 /nfs/dbraw/zinc/46/15/73/606461573.db2.gz MCJCCLRJVBQBFD-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1cccnc1NCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822842516 606461575 /nfs/dbraw/zinc/46/15/75/606461575.db2.gz MCJCCLRJVBQBFD-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM CCN(C(=O)Cc1cccc(C#N)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153874 606505271 /nfs/dbraw/zinc/50/52/71/606505271.db2.gz GDERXQDPMGOCRL-AWEZNQCLSA-N -1 3 360.421 2.891 20 30 FFEDHM CCN(C(=O)Cc1cccc(C#N)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153874 606505273 /nfs/dbraw/zinc/50/52/73/606505273.db2.gz GDERXQDPMGOCRL-AWEZNQCLSA-N -1 3 360.421 2.891 20 30 FFEDHM CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821422174 606570123 /nfs/dbraw/zinc/57/01/23/606570123.db2.gz RAYJUDPHZIORPP-UHFFFAOYSA-N -1 3 368.422 2.887 20 30 FFEDHM CCOc1ccc(N(CCC#N)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821422174 606570124 /nfs/dbraw/zinc/57/01/24/606570124.db2.gz RAYJUDPHZIORPP-UHFFFAOYSA-N -1 3 368.422 2.887 20 30 FFEDHM CCN(CCC#N)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821207610 606584747 /nfs/dbraw/zinc/58/47/47/606584747.db2.gz QZPCGSNFIMHKPX-UHFFFAOYSA-N -1 3 361.409 2.986 20 30 FFEDHM C=CCN(Cc1ccsc1C(=O)OC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745930 606704396 /nfs/dbraw/zinc/70/43/96/606704396.db2.gz VHSUODNEPRCNFX-UHFFFAOYSA-N -1 3 369.450 2.903 20 30 FFEDHM C=CCN(Cc1ccsc1C(=O)OC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745930 606704397 /nfs/dbraw/zinc/70/43/97/606704397.db2.gz VHSUODNEPRCNFX-UHFFFAOYSA-N -1 3 369.450 2.903 20 30 FFEDHM C#CCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819692458 606953453 /nfs/dbraw/zinc/95/34/53/606953453.db2.gz GGJYHQOZYASTGB-UHFFFAOYSA-N -1 3 352.320 2.811 20 30 FFEDHM C#CCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819692458 606953456 /nfs/dbraw/zinc/95/34/56/606953456.db2.gz GGJYHQOZYASTGB-UHFFFAOYSA-N -1 3 352.320 2.811 20 30 FFEDHM COc1ccc(N=NC(C)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821835393 607123637 /nfs/dbraw/zinc/12/36/37/607123637.db2.gz JLWUOEZZTCPVII-UHFFFAOYSA-N -1 3 353.342 2.620 20 30 FFEDHM N#CCOc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822814202 607241475 /nfs/dbraw/zinc/24/14/75/607241475.db2.gz CFIJEEZHPNGUGC-UHFFFAOYSA-N -1 3 354.757 2.675 20 30 FFEDHM N#CCOc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822814202 607241476 /nfs/dbraw/zinc/24/14/76/607241476.db2.gz CFIJEEZHPNGUGC-UHFFFAOYSA-N -1 3 354.757 2.675 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1ccc(C#N)cc1 ZINC000826167979 607872032 /nfs/dbraw/zinc/87/20/32/607872032.db2.gz YCNUOACCMSLANY-CQSZACIVSA-N -1 3 371.784 2.513 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1ccc(C#N)cc1 ZINC000826167979 607872033 /nfs/dbraw/zinc/87/20/33/607872033.db2.gz YCNUOACCMSLANY-CQSZACIVSA-N -1 3 371.784 2.513 20 30 FFEDHM c1ccc(-c2nnn[n-]2)c(CN=Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000823868315 607882508 /nfs/dbraw/zinc/88/25/08/607882508.db2.gz VRWPRROIDBVOLN-UHFFFAOYSA-N -1 3 362.422 2.806 20 30 FFEDHM c1ccc(-c2nn[n-]n2)c(CN=Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000823868315 607882509 /nfs/dbraw/zinc/88/25/09/607882509.db2.gz VRWPRROIDBVOLN-UHFFFAOYSA-N -1 3 362.422 2.806 20 30 FFEDHM Cc1sc2ncnc(N=NCc3ccccc3-c3nn[n-]n3)c2c1C ZINC000826350159 607882924 /nfs/dbraw/zinc/88/29/24/607882924.db2.gz KPUVRCAMIZPYIH-UHFFFAOYSA-N -1 3 350.411 2.934 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)OCC ZINC000823873683 607885913 /nfs/dbraw/zinc/88/59/13/607885913.db2.gz PBGCSSXHXMTYMG-INIZCTEOSA-N -1 3 359.430 2.964 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)OCC ZINC000823873683 607885914 /nfs/dbraw/zinc/88/59/14/607885914.db2.gz PBGCSSXHXMTYMG-INIZCTEOSA-N -1 3 359.430 2.964 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)OCC ZINC000823873191 607888112 /nfs/dbraw/zinc/88/81/12/607888112.db2.gz JTUKFCBSLFNQJS-QGZVFWFLSA-N -1 3 357.458 2.975 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)OCC ZINC000823873191 607888113 /nfs/dbraw/zinc/88/81/13/607888113.db2.gz JTUKFCBSLFNQJS-QGZVFWFLSA-N -1 3 357.458 2.975 20 30 FFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc(OCC#N)c2)s1 ZINC000825694191 608025773 /nfs/dbraw/zinc/02/57/73/608025773.db2.gz MWAAQQWABRKFEF-UHFFFAOYSA-N -1 3 368.422 2.574 20 30 FFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc(OCC#N)c2)s1 ZINC000825694191 608025774 /nfs/dbraw/zinc/02/57/74/608025774.db2.gz MWAAQQWABRKFEF-UHFFFAOYSA-N -1 3 368.422 2.574 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826403376 608094049 /nfs/dbraw/zinc/09/40/49/608094049.db2.gz QIGTYXFLIUHQBR-RJRFIUFISA-N -1 3 354.317 2.583 20 30 FFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cccc(CC#N)c1 ZINC000825797041 608176117 /nfs/dbraw/zinc/17/61/17/608176117.db2.gz UOODVOKZJGCSJI-UHFFFAOYSA-N -1 3 372.392 2.555 20 30 FFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cccc(CC#N)c1 ZINC000825797041 608176119 /nfs/dbraw/zinc/17/61/19/608176119.db2.gz UOODVOKZJGCSJI-UHFFFAOYSA-N -1 3 372.392 2.555 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)OCC ZINC000823872851 608177956 /nfs/dbraw/zinc/17/79/56/608177956.db2.gz FGDIVNRWZYNGFF-HNNXBMFYSA-N -1 3 369.429 2.546 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)OCC ZINC000823872851 608177958 /nfs/dbraw/zinc/17/79/58/608177958.db2.gz FGDIVNRWZYNGFF-HNNXBMFYSA-N -1 3 369.429 2.546 20 30 FFEDHM CCOc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825616172 608262440 /nfs/dbraw/zinc/26/24/40/608262440.db2.gz YTJHYSQPPGPMCQ-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM CCOc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825616172 608262441 /nfs/dbraw/zinc/26/24/41/608262441.db2.gz YTJHYSQPPGPMCQ-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000826252016 608275647 /nfs/dbraw/zinc/27/56/47/608275647.db2.gz KLLZVJQOKNBZOU-LBPRGKRZSA-N -1 3 353.407 2.776 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000826252016 608275648 /nfs/dbraw/zinc/27/56/48/608275648.db2.gz KLLZVJQOKNBZOU-LBPRGKRZSA-N -1 3 353.407 2.776 20 30 FFEDHM CCOc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825639585 608321662 /nfs/dbraw/zinc/32/16/62/608321662.db2.gz ZSNKEQNHIDIRAD-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM CCOc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825639585 608321661 /nfs/dbraw/zinc/32/16/61/608321661.db2.gz ZSNKEQNHIDIRAD-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)cc1 ZINC000826384805 608478731 /nfs/dbraw/zinc/47/87/31/608478731.db2.gz KKSAMXCDCJVEQQ-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)cc1 ZINC000826384805 608478733 /nfs/dbraw/zinc/47/87/33/608478733.db2.gz KKSAMXCDCJVEQQ-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM N#CCc1cccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826382847 608483590 /nfs/dbraw/zinc/48/35/90/608483590.db2.gz XQZSLKKTGWTRHC-UHFFFAOYSA-N -1 3 370.416 2.862 20 30 FFEDHM N#CCc1cccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826382847 608483591 /nfs/dbraw/zinc/48/35/91/608483591.db2.gz XQZSLKKTGWTRHC-UHFFFAOYSA-N -1 3 370.416 2.862 20 30 FFEDHM COc1ccc2[nH]cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c2c1 ZINC000826211991 608539299 /nfs/dbraw/zinc/53/92/99/608539299.db2.gz CNGVSKJIRLHVDT-UHFFFAOYSA-N -1 3 368.788 2.851 20 30 FFEDHM COc1ccc2[nH]cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c2c1 ZINC000826211991 608539300 /nfs/dbraw/zinc/53/93/00/608539300.db2.gz CNGVSKJIRLHVDT-UHFFFAOYSA-N -1 3 368.788 2.851 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)COC2 ZINC000823958479 608539595 /nfs/dbraw/zinc/53/95/95/608539595.db2.gz OREQDSWGASVFSS-UHFFFAOYSA-N -1 3 355.789 2.781 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)COC2 ZINC000823958479 608539596 /nfs/dbraw/zinc/53/95/96/608539596.db2.gz OREQDSWGASVFSS-UHFFFAOYSA-N -1 3 355.789 2.781 20 30 FFEDHM O=c1[nH]c2ccccc2cc1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826511659 608539884 /nfs/dbraw/zinc/53/98/84/608539884.db2.gz ZDCYISJPSDMJPN-UHFFFAOYSA-N -1 3 366.772 2.615 20 30 FFEDHM O=c1[nH]c2ccccc2cc1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826511659 608539886 /nfs/dbraw/zinc/53/98/86/608539886.db2.gz ZDCYISJPSDMJPN-UHFFFAOYSA-N -1 3 366.772 2.615 20 30 FFEDHM CC(CCn1cccn1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824413254 609159767 /nfs/dbraw/zinc/15/97/67/609159767.db2.gz JPZIMBHTJZWTDU-UHFFFAOYSA-N -1 3 364.335 2.960 20 30 FFEDHM CC(CCn1cccn1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824413254 609159769 /nfs/dbraw/zinc/15/97/69/609159769.db2.gz JPZIMBHTJZWTDU-UHFFFAOYSA-N -1 3 364.335 2.960 20 30 FFEDHM C=CCC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)C1CC1 ZINC000823894203 609240083 /nfs/dbraw/zinc/24/00/83/609240083.db2.gz JWKSZNJDQOEPQK-SFHVURJKSA-N -1 3 368.485 2.985 20 30 FFEDHM C=CCC[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)C1CC1 ZINC000823894203 609240085 /nfs/dbraw/zinc/24/00/85/609240085.db2.gz JWKSZNJDQOEPQK-SFHVURJKSA-N -1 3 368.485 2.985 20 30 FFEDHM CCCC[C@H](ON=C(C)C)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825266742 609248887 /nfs/dbraw/zinc/24/88/87/609248887.db2.gz HBQBHEWHHXTOTD-INIZCTEOSA-N -1 3 358.446 2.796 20 30 FFEDHM CCCC[C@H](ON=C(C)C)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825266742 609248888 /nfs/dbraw/zinc/24/88/88/609248888.db2.gz HBQBHEWHHXTOTD-INIZCTEOSA-N -1 3 358.446 2.796 20 30 FFEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1nc2ccccc2o1 ZINC000824762539 609307273 /nfs/dbraw/zinc/30/72/73/609307273.db2.gz HCMVUBQSZDZIKL-MRVPVSSYSA-N -1 3 364.394 2.710 20 30 FFEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1nc2ccccc2o1 ZINC000824762539 609307274 /nfs/dbraw/zinc/30/72/74/609307274.db2.gz HCMVUBQSZDZIKL-MRVPVSSYSA-N -1 3 364.394 2.710 20 30 FFEDHM CC(C)(C#N)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824059432 609354446 /nfs/dbraw/zinc/35/44/46/609354446.db2.gz UWJSFPKZKSFFMX-UHFFFAOYSA-N -1 3 364.365 2.761 20 30 FFEDHM CC(C)(C#N)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824059432 609354448 /nfs/dbraw/zinc/35/44/48/609354448.db2.gz UWJSFPKZKSFFMX-UHFFFAOYSA-N -1 3 364.365 2.761 20 30 FFEDHM C=CCN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(C)C ZINC000823903675 609362802 /nfs/dbraw/zinc/36/28/02/609362802.db2.gz HFTDVHFSMRTULW-UHFFFAOYSA-N -1 3 370.392 2.620 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(NC(C)=O)cc2)cc1-c1nnn[n-]1 ZINC000826191084 609371237 /nfs/dbraw/zinc/37/12/37/609371237.db2.gz WPSZMAPZUPNRFJ-YCRREMRBSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(NC(C)=O)cc2)cc1-c1nn[n-]n1 ZINC000826191084 609371240 /nfs/dbraw/zinc/37/12/40/609371240.db2.gz WPSZMAPZUPNRFJ-YCRREMRBSA-N -1 3 363.377 2.730 20 30 FFEDHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCO1 ZINC000824216155 609386364 /nfs/dbraw/zinc/38/63/64/609386364.db2.gz OJQYXYQPCWQEJS-MLGOLLRUSA-N -1 3 354.414 2.518 20 30 FFEDHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCO1 ZINC000824216155 609386366 /nfs/dbraw/zinc/38/63/66/609386366.db2.gz OJQYXYQPCWQEJS-MLGOLLRUSA-N -1 3 354.414 2.518 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1CC2(CCCC2)OC1=O ZINC000823914461 609424125 /nfs/dbraw/zinc/42/41/25/609424125.db2.gz JGLGLRIZHUHNKB-UHFFFAOYSA-N -1 3 368.441 2.577 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1CC2(CCCC2)OC1=O ZINC000823914461 609424126 /nfs/dbraw/zinc/42/41/26/609424126.db2.gz JGLGLRIZHUHNKB-UHFFFAOYSA-N -1 3 368.441 2.577 20 30 FFEDHM Cn1cnc2cc(C=NNc3ccc(-c4nnn[n-]4)c(Cl)c3)ccc21 ZINC000826365242 609470116 /nfs/dbraw/zinc/47/01/16/609470116.db2.gz GJMTZKMTIWBEFP-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM Cn1cnc2cc(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)ccc21 ZINC000826365242 609470118 /nfs/dbraw/zinc/47/01/18/609470118.db2.gz GJMTZKMTIWBEFP-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1 ZINC000826190726 609474151 /nfs/dbraw/zinc/47/41/51/609474151.db2.gz LEDPGNVENWSOSS-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1 ZINC000826190726 609474153 /nfs/dbraw/zinc/47/41/53/609474153.db2.gz LEDPGNVENWSOSS-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCO[C@H](CCC)C1 ZINC000823909747 609540123 /nfs/dbraw/zinc/54/01/23/609540123.db2.gz PJNXCNMPKJESIT-ZWKOTPCHSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCO[C@H](CCC)C1 ZINC000823909747 609540125 /nfs/dbraw/zinc/54/01/25/609540125.db2.gz PJNXCNMPKJESIT-ZWKOTPCHSA-N -1 3 369.469 2.977 20 30 FFEDHM CC1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000824776426 609559752 /nfs/dbraw/zinc/55/97/52/609559752.db2.gz AFJSYWIXPHEJQT-UHFFFAOYSA-N -1 3 355.352 2.823 20 30 FFEDHM CC1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000824776426 609559755 /nfs/dbraw/zinc/55/97/55/609559755.db2.gz AFJSYWIXPHEJQT-UHFFFAOYSA-N -1 3 355.352 2.823 20 30 FFEDHM N#CCCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826381209 609608575 /nfs/dbraw/zinc/60/85/75/609608575.db2.gz BNZATNVLGYSPQD-UHFFFAOYSA-N -1 3 367.438 2.698 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCOc2c(F)cc(F)cc21 ZINC000743448612 735298039 /nfs/dbraw/zinc/29/80/39/735298039.db2.gz XMBNYXNBPKFAQU-UHFFFAOYSA-N -1 3 366.389 2.614 20 30 FFEDHM COc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)c(F)c1 ZINC000743448642 735298542 /nfs/dbraw/zinc/29/85/42/735298542.db2.gz YNCWRXVQIHESEE-UHFFFAOYSA-N -1 3 350.415 2.720 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H]2CC)ccc1F ZINC000744767325 735376559 /nfs/dbraw/zinc/37/65/59/735376559.db2.gz YZLPBKMRFFGKLT-GXTWGEPZSA-N -1 3 354.447 2.551 20 30 FFEDHM CC(CCc1ccco1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746492098 735487767 /nfs/dbraw/zinc/48/77/67/735487767.db2.gz OXCYHMLZAXXCRD-UHFFFAOYSA-N -1 3 351.384 2.616 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)ccc1F ZINC000075290142 728245592 /nfs/dbraw/zinc/24/55/92/728245592.db2.gz JUSMWFUAQKUQBK-QWHCGFSZSA-N -1 3 354.447 2.551 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000076557647 728262722 /nfs/dbraw/zinc/26/27/22/728262722.db2.gz LDTGOPMOBYZRLV-UHFFFAOYSA-N -1 3 362.382 2.597 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000130093925 728715091 /nfs/dbraw/zinc/71/50/91/728715091.db2.gz UWIFUGGHDZPMBK-UHFFFAOYSA-N -1 3 350.407 2.610 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000130093925 728715092 /nfs/dbraw/zinc/71/50/92/728715092.db2.gz UWIFUGGHDZPMBK-UHFFFAOYSA-N -1 3 350.407 2.610 20 30 FFEDHM CC(C)CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000172667691 729030181 /nfs/dbraw/zinc/03/01/81/729030181.db2.gz ZSDDRWXEHMYHON-AWEZNQCLSA-N -1 3 359.817 2.939 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC(C)C)C2)ccc1F ZINC000174596573 729074495 /nfs/dbraw/zinc/07/44/95/729074495.db2.gz VWRLFHLGJDUHMW-AWEZNQCLSA-N -1 3 368.474 2.798 20 30 FFEDHM Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1S(N)(=O)=O ZINC000255034683 729629743 /nfs/dbraw/zinc/62/97/43/729629743.db2.gz ZPNDQXBJVLXTOT-UHFFFAOYSA-N -1 3 369.240 2.861 20 30 FFEDHM Cc1cc(C)nc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 ZINC000329262704 729796986 /nfs/dbraw/zinc/79/69/86/729796986.db2.gz GFQGCEMUKRGPEF-UHFFFAOYSA-N -1 3 366.468 2.576 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c(Cl)c1 ZINC000779836361 738488547 /nfs/dbraw/zinc/48/85/47/738488547.db2.gz DQIITXWHMIESAK-UHFFFAOYSA-N -1 3 365.827 2.522 20 30 FFEDHM C=C(Cl)CNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000781091773 738598430 /nfs/dbraw/zinc/59/84/30/738598430.db2.gz YTHBDJRASWWWEW-UHFFFAOYSA-N -1 3 365.842 2.821 20 30 FFEDHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000878471764 732538350 /nfs/dbraw/zinc/53/83/50/732538350.db2.gz ZSLKXIIFPMWXTP-AWEZNQCLSA-N -1 3 366.849 2.832 20 30 FFEDHM CCc1cc(Br)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878952760 732621264 /nfs/dbraw/zinc/62/12/64/732621264.db2.gz FRIWRPQXVCULJV-GFCCVEGCSA-N -1 3 356.220 2.513 20 30 FFEDHM Cc1cc(Br)c([O-])c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000781596326 738639638 /nfs/dbraw/zinc/63/96/38/738639638.db2.gz DGRRSHVUOAOKCQ-STQMWFEESA-N -1 3 351.248 2.657 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccc(C#N)cc1 ZINC000881783793 733107956 /nfs/dbraw/zinc/10/79/56/733107956.db2.gz DKCNGDSZWLBQJT-JCQPUDPBSA-N -1 3 369.512 2.884 20 30 FFEDHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000882847317 733302781 /nfs/dbraw/zinc/30/27/81/733302781.db2.gz GRKPTORGUDWARH-SECBINFHSA-N -1 3 368.680 2.708 20 30 FFEDHM CC(=NNC(=S)NCc1ccc2c(c1)OCO2)c1ccc([O-])c(F)c1 ZINC000728427361 734527571 /nfs/dbraw/zinc/52/75/71/734527571.db2.gz CQEKNMKPPCHAHE-UHFFFAOYSA-N -1 3 361.398 2.648 20 30 FFEDHM C=CCOC(=O)c1sc([N-]C(=O)c2cocn2)c(C(=O)OCC)c1C ZINC000729651070 734589409 /nfs/dbraw/zinc/58/94/09/734589409.db2.gz RRZQPEYIZCWYEQ-UHFFFAOYSA-N -1 3 364.379 2.816 20 30 FFEDHM O=C1[C@@H](NCc2cc(OC(F)F)ccc2Br)CCCN1[O-] ZINC000895159364 734970078 /nfs/dbraw/zinc/97/00/78/734970078.db2.gz UJDUCQJEGKVRQS-NSHDSACASA-N -1 3 365.174 2.520 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C[C@H](C)CC)ccc1F ZINC000742720184 735251353 /nfs/dbraw/zinc/25/13/53/735251353.db2.gz RJPDEMUUMNQUFQ-CHWSQXEVSA-N -1 3 356.463 2.845 20 30 FFEDHM N#C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(Br)c1 ZINC000900464485 735649656 /nfs/dbraw/zinc/64/96/56/735649656.db2.gz NRZQWRMHNPAZRR-ZDUSSCGKSA-N -1 3 373.210 2.817 20 30 FFEDHM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374208 735772022 /nfs/dbraw/zinc/77/20/22/735772022.db2.gz GWTQOMFVTKWPSB-AWEZNQCLSA-N -1 3 354.447 2.881 20 30 FFEDHM O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901375683 735772041 /nfs/dbraw/zinc/77/20/41/735772041.db2.gz JVBXMZCURDVTTL-UHFFFAOYSA-N -1 3 359.325 2.854 20 30 FFEDHM O=C(CCC(=O)N1CCc2sccc2C1)N([O-])Cc1ccc(F)cc1 ZINC000901374923 735772058 /nfs/dbraw/zinc/77/20/58/735772058.db2.gz XAIBYFNJHQPPGB-UHFFFAOYSA-N -1 3 362.426 2.970 20 30 FFEDHM CC(C)C(=O)Nc1nc(CC(=O)N([O-])Cc2ccc(F)cc2)cs1 ZINC000901375394 735772103 /nfs/dbraw/zinc/77/21/03/735772103.db2.gz GMEULCAABTWORD-UHFFFAOYSA-N -1 3 351.403 2.837 20 30 FFEDHM C=CCN(CC(=O)[O-])Cc1cc(Br)c(OC)c(OCC)c1 ZINC000901585958 735798610 /nfs/dbraw/zinc/79/86/10/735798610.db2.gz GJLKODCEUBHJDM-UHFFFAOYSA-N -1 3 358.232 2.929 20 30 FFEDHM C#CC[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000750778315 735814638 /nfs/dbraw/zinc/81/46/38/735814638.db2.gz NEXQBEDUMUQPSM-OAHLLOKOSA-N -1 3 367.442 2.861 20 30 FFEDHM C=CCC[C@@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000901689330 735820442 /nfs/dbraw/zinc/82/04/42/735820442.db2.gz DETPIPZCFTVDGV-CYBMUJFWSA-N -1 3 365.231 2.539 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(F)c(Cl)c2)cc1 ZINC000755675489 736269893 /nfs/dbraw/zinc/26/98/93/736269893.db2.gz YDXUAHFSYKFJRZ-UHFFFAOYSA-N -1 3 371.777 2.841 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCOC(C)(C)C)ccc1F ZINC000757037869 736385567 /nfs/dbraw/zinc/38/55/67/736385567.db2.gz COXSLLNIBVHEEP-UHFFFAOYSA-N -1 3 373.446 2.652 20 30 FFEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)ccc1F ZINC000766582429 737244526 /nfs/dbraw/zinc/24/45/26/737244526.db2.gz WZMAAAUFCLDTSM-QGZVFWFLSA-N -1 3 369.462 2.571 20 30 FFEDHM COc1cc(C=NNS(=O)(=O)c2cc(C)ccc2C)cc(Cl)c1[O-] ZINC000916288442 737693715 /nfs/dbraw/zinc/69/37/15/737693715.db2.gz DACKKQHKVDWVPB-UHFFFAOYSA-N -1 3 368.842 2.983 20 30 FFEDHM Oc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000916321447 737696740 /nfs/dbraw/zinc/69/67/40/737696740.db2.gz ZQCWCNWIVJVMSN-HNNXBMFYSA-N -1 3 354.391 2.667 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)nc1 ZINC000788914574 739296267 /nfs/dbraw/zinc/29/62/67/739296267.db2.gz XRYPAHYEOOJFPI-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM Cc1ccncc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000794471297 739895292 /nfs/dbraw/zinc/89/52/92/739895292.db2.gz PNJZUHBNVPOUIG-OAHLLOKOSA-N -1 3 353.407 2.665 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795630475 740046465 /nfs/dbraw/zinc/04/64/65/740046465.db2.gz QGRDLSXZUXAJLT-ZDUSSCGKSA-N -1 3 371.256 2.650 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(C)C ZINC000798471936 740335601 /nfs/dbraw/zinc/33/56/01/740335601.db2.gz HIGZGYXWNUDDMZ-NSHDSACASA-N -1 3 364.236 2.533 20 30 FFEDHM C[C@H](CC(=O)O[C@H]1CCCC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000799493577 740422900 /nfs/dbraw/zinc/42/29/00/740422900.db2.gz HRXJBYTYAWGMJE-DOMZBBRYSA-N -1 3 364.467 2.626 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(Cl)cc1 ZINC000810099647 741385825 /nfs/dbraw/zinc/38/58/25/741385825.db2.gz MHUITPAXMVPMQR-GFCCVEGCSA-N -1 3 369.851 2.841 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1nnc2ccccc2n1 ZINC000810530217 741425088 /nfs/dbraw/zinc/42/50/88/741425088.db2.gz YCLZRTMCHRGVEB-LBPRGKRZSA-N -1 3 351.753 2.639 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000811186666 741492081 /nfs/dbraw/zinc/49/20/81/741492081.db2.gz SZQVVPYCKOJUMT-UHFFFAOYSA-N -1 3 354.753 2.855 20 30 FFEDHM CC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)ccc1[O-] ZINC000812231240 741598734 /nfs/dbraw/zinc/59/87/34/741598734.db2.gz LPDQRONVZCZRDJ-UHFFFAOYSA-N -1 3 351.403 2.618 20 30 FFEDHM CCCCOc1c(Cl)cc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1OCC ZINC000816694474 742053554 /nfs/dbraw/zinc/05/35/54/742053554.db2.gz GQMQWNSANGXIEB-CYBMUJFWSA-N -1 3 370.833 2.638 20 30 FFEDHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816755181 742058879 /nfs/dbraw/zinc/05/88/79/742058879.db2.gz UXFHTFGEWGYLEC-QMMMGPOBSA-N -1 3 371.871 2.943 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000820179086 742471297 /nfs/dbraw/zinc/47/12/97/742471297.db2.gz FYBCRDGVSVWGND-JTQLQIEISA-N -1 3 372.233 2.837 20 30 FFEDHM C=C(C)CO[N-]C(=O)Cc1c(Cl)cccc1C(=O)NOCC(=C)C ZINC000824233810 743041374 /nfs/dbraw/zinc/04/13/74/743041374.db2.gz YPOQCTZOTLVKMR-UHFFFAOYSA-N -1 3 352.818 2.744 20 30 FFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)SCC(=O)N2 ZINC000826481734 743388734 /nfs/dbraw/zinc/38/87/34/743388734.db2.gz HBENYZPVRLSTCW-SNAWJCMRSA-N -1 3 369.431 2.869 20 30 FFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)SCC(=O)N2 ZINC000826481734 743388741 /nfs/dbraw/zinc/38/87/41/743388741.db2.gz HBENYZPVRLSTCW-SNAWJCMRSA-N -1 3 369.431 2.869 20 30 FFEDHM CCOC(=O)C(C)(C)ON=Cc1ccc(OC)c([O-])c1Br ZINC000835006082 745931073 /nfs/dbraw/zinc/93/10/73/745931073.db2.gz MVFAMQOKOJDFEM-UHFFFAOYSA-N -1 3 360.204 2.856 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000840706845 747163858 /nfs/dbraw/zinc/16/38/58/747163858.db2.gz LIOJSYUCHMDGRA-HMASQMOLSA-N -1 3 351.447 2.700 20 30 FFEDHM CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848134342 748851025 /nfs/dbraw/zinc/85/10/25/748851025.db2.gz SHGUDRUCYRCVII-GFCCVEGCSA-N -1 3 363.801 2.667 20 30 FFEDHM O=C(CCC(=O)c1cc(Cl)sc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000848136684 748851313 /nfs/dbraw/zinc/85/13/13/748851313.db2.gz PXABGNACQVMZCK-QMMMGPOBSA-N -1 3 365.238 2.514 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CCOCC1 ZINC000851828662 749691851 /nfs/dbraw/zinc/69/18/51/749691851.db2.gz CMNSKCARECDWAU-HNNXBMFYSA-N -1 3 362.476 2.517 20 30 FFEDHM Cc1nn(C)c(C)c1C(=NNc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000737508915 945086520 /nfs/dbraw/zinc/08/65/20/945086520.db2.gz JGBVQZIEVZIUHP-UHFFFAOYSA-N -1 3 364.335 2.596 20 30 FFEDHM N#Cc1cc(NC(=O)c2csc(-c3ccoc3)n2)ccc1-c1nnn[n-]1 ZINC000737710130 945114267 /nfs/dbraw/zinc/11/42/67/945114267.db2.gz RKCZIMQVTQLEKK-UHFFFAOYSA-N -1 3 363.362 2.707 20 30 FFEDHM N#Cc1cc(NC(=O)c2csc(-c3ccoc3)n2)ccc1-c1nn[n-]n1 ZINC000737710130 945114270 /nfs/dbraw/zinc/11/42/70/945114270.db2.gz RKCZIMQVTQLEKK-UHFFFAOYSA-N -1 3 363.362 2.707 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@H](CC(C)C)CC1=O ZINC000819745939 945280010 /nfs/dbraw/zinc/28/00/10/945280010.db2.gz VUEYFUCDUGCGNU-QGZVFWFLSA-N -1 3 368.485 2.707 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@H](CC(C)C)CC1=O ZINC000819745939 945280028 /nfs/dbraw/zinc/28/00/28/945280028.db2.gz VUEYFUCDUGCGNU-QGZVFWFLSA-N -1 3 368.485 2.707 20 30 FFEDHM C#CCOc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000735380249 944643498 /nfs/dbraw/zinc/64/34/98/944643498.db2.gz GXOWPZCUWCIZMO-UHFFFAOYSA-N -1 3 373.416 2.684 20 30 FFEDHM C#CCOc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000735380249 944643507 /nfs/dbraw/zinc/64/35/07/944643507.db2.gz GXOWPZCUWCIZMO-UHFFFAOYSA-N -1 3 373.416 2.684 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccn1 ZINC000822015787 945919594 /nfs/dbraw/zinc/91/95/94/945919594.db2.gz OLGROCASZZQFOY-HJWRWDBZSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccn1 ZINC000822015787 945919601 /nfs/dbraw/zinc/91/96/01/945919601.db2.gz OLGROCASZZQFOY-HJWRWDBZSA-N -1 3 357.377 2.652 20 30 FFEDHM C=CC[C@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823887903 946501786 /nfs/dbraw/zinc/50/17/86/946501786.db2.gz APPIOVSMKWKPOW-JTQLQIEISA-N -1 3 372.820 2.792 20 30 FFEDHM C=CC[C@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823887903 946501791 /nfs/dbraw/zinc/50/17/91/946501791.db2.gz APPIOVSMKWKPOW-JTQLQIEISA-N -1 3 372.820 2.792 20 30 FFEDHM C=CCOCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823924934 946518593 /nfs/dbraw/zinc/51/85/93/946518593.db2.gz AVOZVKYSXCONIB-AWEZNQCLSA-N -1 3 363.421 2.914 20 30 FFEDHM C=CCOCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823924934 946518598 /nfs/dbraw/zinc/51/85/98/946518598.db2.gz AVOZVKYSXCONIB-AWEZNQCLSA-N -1 3 363.421 2.914 20 30 FFEDHM CC(C)(C#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824059405 946571317 /nfs/dbraw/zinc/57/13/17/946571317.db2.gz SVNPKYLOZGDNSV-UHFFFAOYSA-N -1 3 363.377 2.905 20 30 FFEDHM CC(C)(C#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824059405 946571326 /nfs/dbraw/zinc/57/13/26/946571326.db2.gz SVNPKYLOZGDNSV-UHFFFAOYSA-N -1 3 363.377 2.905 20 30 FFEDHM C=C(C)CCC(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573293989 946974945 /nfs/dbraw/zinc/97/49/45/946974945.db2.gz QPPDAGGETFRPBY-OAHLLOKOSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573293989 946974951 /nfs/dbraw/zinc/97/49/51/946974951.db2.gz QPPDAGGETFRPBY-OAHLLOKOSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573299188 947089743 /nfs/dbraw/zinc/08/97/43/947089743.db2.gz IJLPUYICUAVXBB-CHWSQXEVSA-N -1 3 358.421 2.763 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573299188 947089756 /nfs/dbraw/zinc/08/97/56/947089756.db2.gz IJLPUYICUAVXBB-CHWSQXEVSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CC(C)(C)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573305286 947152131 /nfs/dbraw/zinc/15/21/31/947152131.db2.gz OXOGQHAICQXEBZ-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC(C)(C)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573305286 947152140 /nfs/dbraw/zinc/15/21/40/947152140.db2.gz OXOGQHAICQXEBZ-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573314710 947235915 /nfs/dbraw/zinc/23/59/15/947235915.db2.gz FFTRWWHYIDUEPT-ZYHUDNBSSA-N -1 3 363.491 2.541 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573315707 947258621 /nfs/dbraw/zinc/25/86/21/947258621.db2.gz OAYGXWBODAYITH-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573315707 947258629 /nfs/dbraw/zinc/25/86/29/947258629.db2.gz OAYGXWBODAYITH-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826162737 947511677 /nfs/dbraw/zinc/51/16/77/947511677.db2.gz QBSFGAKBHHCWSH-WTKPLQERSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826162737 947511684 /nfs/dbraw/zinc/51/16/84/947511684.db2.gz QBSFGAKBHHCWSH-WTKPLQERSA-N -1 3 368.368 2.927 20 30 FFEDHM C=CCOc1ccc(COC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001573349093 947592208 /nfs/dbraw/zinc/59/22/08/947592208.db2.gz YSEIRCWWGWCMKK-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccc(COC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001573349093 947592210 /nfs/dbraw/zinc/59/22/10/947592210.db2.gz YSEIRCWWGWCMKK-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826257262 947741572 /nfs/dbraw/zinc/74/15/72/947741572.db2.gz VIKCWUDNPDIHBZ-UHFFFAOYSA-N -1 3 355.304 2.682 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826257262 947741578 /nfs/dbraw/zinc/74/15/78/947741578.db2.gz VIKCWUDNPDIHBZ-UHFFFAOYSA-N -1 3 355.304 2.682 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(Cc2cccnc2)CC1 ZINC000330123344 971704045 /nfs/dbraw/zinc/70/40/45/971704045.db2.gz KURKRUISOPHITE-UHFFFAOYSA-N -1 3 368.363 2.587 20 30 FFEDHM C=C(C)CN1CCC2(CCN(Cc3[nH]c(C)c(C(=O)[O-])c3C)CC2)C1=O ZINC001275902678 1013167240 /nfs/dbraw/zinc/16/72/40/1013167240.db2.gz HYHKKIBLDPCPTL-UHFFFAOYSA-N -1 3 359.470 2.720 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cccc(OCC(F)(F)F)n1 ZINC000124007656 1013191205 /nfs/dbraw/zinc/19/12/05/1013191205.db2.gz FXPWQAUHWWYGNY-LBPRGKRZSA-N -1 3 363.295 2.984 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000091811046 959851410 /nfs/dbraw/zinc/85/14/10/959851410.db2.gz ATKOIURTCANILV-INIZCTEOSA-N -1 3 365.433 2.641 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccncc1)C1CC1 ZINC000890922309 961039800 /nfs/dbraw/zinc/03/98/00/961039800.db2.gz VBLGARURZJCBDP-IBGZPJMESA-N -1 3 350.422 2.871 20 30 FFEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898732324 976650805 /nfs/dbraw/zinc/65/08/05/976650805.db2.gz KITDDSXJRPUTRW-NSHDSACASA-N -1 3 369.343 2.512 20 30 FFEDHM C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C2)cc1 ZINC000981870287 976891898 /nfs/dbraw/zinc/89/18/98/976891898.db2.gz YVPJWHCIPWWCHB-FUHWJXTLSA-N -1 3 362.429 2.702 20 30 FFEDHM C=CCC[C@H](NC(=O)NC[C@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908810250 981542631 /nfs/dbraw/zinc/54/26/31/981542631.db2.gz URSGABYPKLPIRK-ROUUACIJSA-N -1 3 359.470 2.542 20 30 FFEDHM C=CCCC[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908999499 981590868 /nfs/dbraw/zinc/59/08/68/981590868.db2.gz ZIJJJACTEQIULO-MSOLQXFVSA-N -1 3 359.470 2.760 20 30 FFEDHM N#CC(=C([O-])c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccncn1 ZINC000760360530 982377414 /nfs/dbraw/zinc/37/74/14/982377414.db2.gz ZWPPKUXJTIGIMM-HNNXBMFYSA-N -1 3 351.366 2.865 20 30 FFEDHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccccc1C#N ZINC000913298455 984228225 /nfs/dbraw/zinc/22/82/25/984228225.db2.gz MFGMXVXQKAZCOC-LLVKDONJSA-N -1 3 350.334 2.725 20 30 FFEDHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccccc1C#N ZINC000913298455 984228233 /nfs/dbraw/zinc/22/82/33/984228233.db2.gz MFGMXVXQKAZCOC-LLVKDONJSA-N -1 3 350.334 2.725 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2[O-])cc1 ZINC000999069479 986327166 /nfs/dbraw/zinc/32/71/66/986327166.db2.gz QRFLJSLVWJFXRF-NEWSRXKRSA-N -1 3 360.413 2.549 20 30 FFEDHM N#CC1CCC(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000922334205 988439647 /nfs/dbraw/zinc/43/96/47/988439647.db2.gz GAJWUKUAIBUZAU-VMBOVVBDSA-N -1 3 356.422 2.870 20 30 FFEDHM CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccc(C(=O)[O-])cn2)CC1 ZINC000763377491 989827825 /nfs/dbraw/zinc/82/78/25/989827825.db2.gz PUXADWWXQKWMJT-UHFFFAOYSA-N -1 3 367.453 2.758 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccccc1C ZINC000917509365 990234246 /nfs/dbraw/zinc/23/42/46/990234246.db2.gz FAGDBFSHIGTOEA-HNNXBMFYSA-N -1 3 359.389 2.845 20 30 FFEDHM C=CCn1cc(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)nn1 ZINC001212241646 990694002 /nfs/dbraw/zinc/69/40/02/990694002.db2.gz LGWJVOQAAXWCOD-UHFFFAOYSA-N -1 3 368.871 2.811 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(N3CCCC3=O)cc2)c1[O-] ZINC000920941798 990941211 /nfs/dbraw/zinc/94/12/11/990941211.db2.gz RFOLLYIBFDYDGL-MYSNOUKZSA-N -1 3 353.422 2.895 20 30 FFEDHM C=C(Cl)C[C@H]([N-]C(=O)C(F)(F)c1cccc(OC)c1)C(=O)OCC ZINC001132417864 994895734 /nfs/dbraw/zinc/89/57/34/994895734.db2.gz GQCLXMIUKQUWKH-ZDUSSCGKSA-N -1 3 361.772 2.978 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(Cc3cccc(F)c3)no2)c1 ZINC000811187079 995052554 /nfs/dbraw/zinc/05/25/54/995052554.db2.gz JAIBOCZJIQQINM-UHFFFAOYSA-N -1 3 353.309 2.734 20 30 FFEDHM CC(C)[C@@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811187638 995053187 /nfs/dbraw/zinc/05/31/87/995053187.db2.gz KKAQGMJNOJCTIU-LJQANCHMSA-N -1 3 352.390 2.934 20 30 FFEDHM COC(=O)CN(CCOc1ccc(C#N)cc1)Cc1cc(Cl)ccc1[O-] ZINC000731844986 998271090 /nfs/dbraw/zinc/27/10/90/998271090.db2.gz MWYDPDGESOIPFG-UHFFFAOYSA-N -1 3 374.824 2.971 20 30 FFEDHM CCc1cc2c(CN3CCN([C@H](C#N)C(C)C)CC3)cc(=O)oc2cc1[O-] ZINC000731846757 998272689 /nfs/dbraw/zinc/27/26/89/998272689.db2.gz NTVLMFSAJLJNRU-GOSISDBHSA-N -1 3 369.465 2.727 20 30 FFEDHM N#Cc1cccc2c1CN(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)C2 ZINC001144337916 998390007 /nfs/dbraw/zinc/39/00/07/998390007.db2.gz FKUFFXZQCVTPKP-UHFFFAOYSA-N -1 3 351.312 2.834 20 30 FFEDHM CC(C)(C)NC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccccc1 ZINC000732179684 998525994 /nfs/dbraw/zinc/52/59/94/998525994.db2.gz RXUHWUIHUYNOSE-UHFFFAOYSA-O -1 3 371.486 2.876 20 30 FFEDHM C=C(Cl)CN1CC[C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C[C@@H]21 ZINC001084983502 998530043 /nfs/dbraw/zinc/53/00/43/998530043.db2.gz SQVGPWJBBJOIGU-KDOFPFPSSA-N -1 3 371.868 2.817 20 30 FFEDHM CC[C@H](C#N)Oc1cc(C/N=C/c2c([O-])c(C)ncc2CO)ccc1OC ZINC000733205483 998914788 /nfs/dbraw/zinc/91/47/88/998914788.db2.gz XLHJJGKIHPWHSJ-CNPYVQQSSA-N -1 3 369.421 2.897 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C(C)C)n2)cc1 ZINC000733679087 999044152 /nfs/dbraw/zinc/04/41/52/999044152.db2.gz BUKNFRPSUJMPQX-HNNXBMFYSA-N -1 3 368.393 2.602 20 30 FFEDHM Cc1cc(C)cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742470206 999775147 /nfs/dbraw/zinc/77/51/47/999775147.db2.gz QRXWEYVKKQXOGA-CQSZACIVSA-N -1 3 371.462 2.759 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2cc(N(C)C)nc3ccccc23)c1[O-] ZINC000743503081 999820776 /nfs/dbraw/zinc/82/07/76/999820776.db2.gz QESVKEMHUXSZLH-SRZZPIQSSA-N -1 3 350.422 2.821 20 30 FFEDHM Cn1cc(-c2cccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2)cn1 ZINC000744038876 999841724 /nfs/dbraw/zinc/84/17/24/999841724.db2.gz BHUOQCYYVWXCRZ-QGZVFWFLSA-N -1 3 360.421 2.895 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cc1F ZINC000768762036 1000332153 /nfs/dbraw/zinc/33/21/53/1000332153.db2.gz CVOAZNUXGKVPDR-HNNXBMFYSA-N -1 3 354.337 2.882 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)cc1F ZINC000768763457 1000332352 /nfs/dbraw/zinc/33/23/52/1000332352.db2.gz OEDMCJMIIHJZRV-OAHLLOKOSA-N -1 3 370.336 2.582 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cc1F ZINC000768762038 1000332554 /nfs/dbraw/zinc/33/25/54/1000332554.db2.gz CVOAZNUXGKVPDR-OAHLLOKOSA-N -1 3 354.337 2.882 20 30 FFEDHM C#C[C@H]1CCCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000847031023 1000525762 /nfs/dbraw/zinc/52/57/62/1000525762.db2.gz PRQMKWMOZBAZFS-OLZOCXBDSA-N -1 3 373.478 2.876 20 30 FFEDHM C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109658214 1000797638 /nfs/dbraw/zinc/79/76/38/1000797638.db2.gz XCTYZCPNIZZOSW-IKGGRYGDSA-N -1 3 356.470 2.637 20 30 FFEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1ccc[nH]c1=S ZINC001147680803 1000944385 /nfs/dbraw/zinc/94/43/85/1000944385.db2.gz QYISNSHFAACPRV-UHFFFAOYSA-N -1 3 357.313 2.835 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC#Cc1ccc(F)cc1 ZINC000771323544 1001077506 /nfs/dbraw/zinc/07/75/06/1001077506.db2.gz WWZNCTHNNYDKSS-UHFFFAOYSA-N -1 3 352.365 2.942 20 30 FFEDHM COc1cccc(CN2CCC(NC(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000785534188 1001449676 /nfs/dbraw/zinc/44/96/76/1001449676.db2.gz JKXUQRJGSIVVTR-UHFFFAOYSA-N -1 3 365.433 2.667 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2ccc3c(c2)OCCO3)c1[O-] ZINC000746683977 1001691750 /nfs/dbraw/zinc/69/17/50/1001691750.db2.gz SMESPSOBWAEXKF-FBHDLOMBSA-N -1 3 356.422 2.756 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1c(F)c(F)c(F)c(F)c1Br ZINC001171364822 1001735378 /nfs/dbraw/zinc/73/53/78/1001735378.db2.gz BHVUDCIDUQTGIE-KTCWOMIQSA-N -1 3 357.101 2.654 20 30 FFEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3csc(-c4cnccn4)n3)n[nH]2)c1 ZINC001184472015 1002628960 /nfs/dbraw/zinc/62/89/60/1002628960.db2.gz XOKXRCUIZDTTCA-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CC[C@H]2CCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000780150737 1016679770 /nfs/dbraw/zinc/67/97/70/1016679770.db2.gz YKAAYCMCDOBQAP-UWOKGBPVSA-N -1 3 363.458 2.796 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cncc3ccccc23)cc1 ZINC000772841769 1003560221 /nfs/dbraw/zinc/56/02/21/1003560221.db2.gz VMRLOJCPOMEOKT-UHFFFAOYSA-N -1 3 370.390 2.597 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197188237 1004099380 /nfs/dbraw/zinc/09/93/80/1004099380.db2.gz UIFFYTUMTMKNLL-HCOTZBLQSA-N -1 3 374.422 2.616 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)ccc1Br ZINC001197330336 1004179710 /nfs/dbraw/zinc/17/97/10/1004179710.db2.gz VMNAVSSNTFNBGW-NSHDSACASA-N -1 3 365.199 2.787 20 30 FFEDHM COc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1OC1CCCC1 ZINC001197738597 1004345290 /nfs/dbraw/zinc/34/52/90/1004345290.db2.gz OOAUKFMPTMVMIF-AWEZNQCLSA-N -1 3 363.414 2.518 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1c(-c2ccc(Br)cc2)cnn1C ZINC001193110823 1004377349 /nfs/dbraw/zinc/37/73/49/1004377349.db2.gz BYTDIJCLNFBTGN-VIFPVBQESA-N -1 3 369.244 2.503 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)Cc2ccccn2)ccc1Br ZINC001197820445 1004389088 /nfs/dbraw/zinc/38/90/88/1004389088.db2.gz AKCAJCMBSDRUMO-UHFFFAOYSA-N -1 3 352.213 2.658 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001193150457 1004391205 /nfs/dbraw/zinc/39/12/05/1004391205.db2.gz YAEIFPBYYUCPMN-YOEHRIQHSA-N -1 3 355.463 2.918 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCOCC1 ZINC001195015416 1004860305 /nfs/dbraw/zinc/86/03/05/1004860305.db2.gz SDKZWDBFMYGMDJ-UHFFFAOYSA-N -1 3 370.883 2.801 20 30 FFEDHM COCCCn1c(C)cc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000776273569 1005340090 /nfs/dbraw/zinc/34/00/90/1005340090.db2.gz IMHDCABXHNQUQZ-UHFFFAOYSA-N -1 3 370.405 2.758 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000776279410 1005345309 /nfs/dbraw/zinc/34/53/09/1005345309.db2.gz JIJKEIPSFZDXIR-LBPRGKRZSA-N -1 3 356.353 2.607 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1ccc(F)c(F)c1 ZINC000129938194 1006487987 /nfs/dbraw/zinc/48/79/87/1006487987.db2.gz GOHJVDFYFUWRED-UHFFFAOYSA-N -1 3 360.360 2.860 20 30 FFEDHM Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H]3CCCN([O-])C3=O)cc12 ZINC000816752879 1007191937 /nfs/dbraw/zinc/19/19/37/1007191937.db2.gz RNQMOVAOGQVWFJ-AWEZNQCLSA-N -1 3 370.434 2.505 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC000816754783 1007192781 /nfs/dbraw/zinc/19/27/81/1007192781.db2.gz LLLSLWIYPONKLG-MRXNPFEDSA-N -1 3 358.369 2.515 20 30 FFEDHM CC(C)(C)C(=O)Nc1cnccc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001189767923 1007264141 /nfs/dbraw/zinc/26/41/41/1007264141.db2.gz ZYBHFRZRCTWWEQ-UHFFFAOYSA-N -1 3 355.398 2.505 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C(C)(C)CC)ccc1F ZINC000855368320 1007306119 /nfs/dbraw/zinc/30/61/19/1007306119.db2.gz LRNWVXZFRNENIR-GFCCVEGCSA-N -1 3 356.463 2.845 20 30 FFEDHM Cc1ccc2ncc(C#N)c(N3CCN(c4nc(C)cc(=O)[n-]4)CC3)c2c1 ZINC000884705198 1007513958 /nfs/dbraw/zinc/51/39/58/1007513958.db2.gz KJNAMBUUSYGVML-UHFFFAOYSA-N -1 3 360.421 2.546 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C(=O)OC(C)(C)C ZINC001190661232 1007722055 /nfs/dbraw/zinc/72/20/55/1007722055.db2.gz PNQRJDWULJVYLN-AWEZNQCLSA-N -1 3 370.446 2.732 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c1 ZINC001190663392 1007722628 /nfs/dbraw/zinc/72/26/28/1007722628.db2.gz STRVOJJXMRDTEY-UHFFFAOYSA-N -1 3 356.325 2.777 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)c1 ZINC001190676546 1007744778 /nfs/dbraw/zinc/74/47/78/1007744778.db2.gz GCFWPERKHQVRIB-UHFFFAOYSA-N -1 3 374.437 2.724 20 30 FFEDHM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000885845043 1007800112 /nfs/dbraw/zinc/80/01/12/1007800112.db2.gz FHVOWYBLXSZCFH-LJQANCHMSA-N -1 3 372.446 2.509 20 30 FFEDHM COc1cccc2c1OC[C@@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001191005521 1007868158 /nfs/dbraw/zinc/86/81/58/1007868158.db2.gz ODYZEOAXTIVGOV-ZDUSSCGKSA-N -1 3 364.810 2.632 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ccc([O-])c(F)c1 ZINC000819398084 1008115723 /nfs/dbraw/zinc/11/57/23/1008115723.db2.gz HYUQSQZEVOAZEM-CQSZACIVSA-N -1 3 365.405 2.735 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc(COc2cccc(F)c2)c1 ZINC000820471195 1008338718 /nfs/dbraw/zinc/33/87/18/1008338718.db2.gz PDZVVBKCTVFGRS-KRWDZBQOSA-N -1 3 358.369 2.515 20 30 FFEDHM O=C(Cn1c2ccccc2nc1C1CCCCC1)N[C@H]1CCCN([O-])C1=O ZINC000820471149 1008338771 /nfs/dbraw/zinc/33/87/71/1008338771.db2.gz OKRYLWHTVSNGBP-INIZCTEOSA-N -1 3 370.453 2.580 20 30 FFEDHM COC(=O)CCc1ccc([O-])c(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 ZINC001177800192 1008752544 /nfs/dbraw/zinc/75/25/44/1008752544.db2.gz DIIXRLVJKKGCEF-WMZJFQQLSA-N -1 3 371.364 2.858 20 30 FFEDHM N#Cc1c(N)cc(=N)n(-c2ccc(C(F)(F)F)cc2[O-])c1Br ZINC001212629391 1011510588 /nfs/dbraw/zinc/51/05/88/1011510588.db2.gz UWAVIJFIQLZTSB-UHFFFAOYSA-N -1 3 373.132 2.898 20 30 FFEDHM O=C(Nc1ccc(Oc2ccccc2F)nc1)N[C@@H]1CCCN([O-])C1=O ZINC001217171702 1032632514 /nfs/dbraw/zinc/63/25/14/1032632514.db2.gz XZBDNFUECWYRFU-CYBMUJFWSA-N -1 3 360.345 2.515 20 30 FFEDHM O=C(Cn1cc(C(=O)N([O-])Cc2ccc(F)cc2)cn1)NC1CCCCC1 ZINC000901371995 1019013243 /nfs/dbraw/zinc/01/32/43/1019013243.db2.gz MCZRJTBYMFFFHU-UHFFFAOYSA-N -1 3 374.416 2.503 20 30 FFEDHM COc1ccc(CN2C[C@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC000901374512 1019015597 /nfs/dbraw/zinc/01/55/97/1019015597.db2.gz LNTALRPTKAXQFG-MRXNPFEDSA-N -1 3 372.396 2.601 20 30 FFEDHM CCc1nc(C#N)cc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])n1 ZINC001045345207 1019946109 /nfs/dbraw/zinc/94/61/09/1019946109.db2.gz BPGKNQZVTWKEQR-HZPDHXFCSA-N -1 3 365.437 2.769 20 30 FFEDHM O=C([C@@H](c1ccccc1F)N1CCOCC1)N([O-])Cc1ccc(F)cc1 ZINC000900093934 1020185981 /nfs/dbraw/zinc/18/59/81/1020185981.db2.gz CFHWTMFALHDUPI-GOSISDBHSA-N -1 3 362.376 2.756 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000900571058 1020509738 /nfs/dbraw/zinc/50/97/38/1020509738.db2.gz CQGIKDBYNOGPQA-UHFFFAOYSA-N -1 3 352.390 2.956 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)c(F)c1 ZINC001116462311 1021229733 /nfs/dbraw/zinc/22/97/33/1021229733.db2.gz QJTHBUQYRRNIDX-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(F)cc(C#N)c2)C2CC2)s1 ZINC001118932490 1022480209 /nfs/dbraw/zinc/48/02/09/1022480209.db2.gz YAVBOYYQLKRYLC-CQSZACIVSA-N -1 3 351.428 2.892 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1C1CC1 ZINC001122547405 1023331735 /nfs/dbraw/zinc/33/17/35/1023331735.db2.gz RCSMICLDUNAEAJ-HNNXBMFYSA-N -1 3 352.394 2.750 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(OC(C)C)n1 ZINC000754820131 1023522703 /nfs/dbraw/zinc/52/27/03/1023522703.db2.gz WSLWFYOCRRCNMO-ZDUSSCGKSA-N -1 3 353.378 2.839 20 30 FFEDHM CCOCCOc1cc(C)ccc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000755031120 1023557562 /nfs/dbraw/zinc/55/75/62/1023557562.db2.gz HLTDJSUHTDIENN-MTJSOVHGSA-N -1 3 358.438 2.931 20 30 FFEDHM N#CC(=C([O-])c1cccc(N2CCNC2=O)c1)c1cnc2ccccc2n1 ZINC001122954784 1023571746 /nfs/dbraw/zinc/57/17/46/1023571746.db2.gz FOMARBLLARNOSY-OAHLLOKOSA-N -1 3 357.373 2.649 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H](C)CCSCC ZINC001121709501 1023939333 /nfs/dbraw/zinc/93/93/33/1023939333.db2.gz UOZDXQIEAIIDBD-LBPRGKRZSA-N -1 3 362.503 2.903 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)(C)C)n1 ZINC000193471520 1024535318 /nfs/dbraw/zinc/53/53/18/1024535318.db2.gz VWPPXTPJBHEXJB-ZDUSSCGKSA-N -1 3 354.410 2.916 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H](OC(=O)Cc3ccc([O-])c(F)c3)C2=O)cc1 ZINC000838142827 1026225208 /nfs/dbraw/zinc/22/52/08/1026225208.db2.gz BREYMUBLRLGPHA-SFHVURJKSA-N -1 3 368.364 2.684 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCc2ccc3c(c2)C(=O)NC3)n1 ZINC001158799093 1027139208 /nfs/dbraw/zinc/13/92/08/1027139208.db2.gz LUZQBCGBSOGAKU-FBCYGCLPSA-N -1 3 363.830 2.516 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC001160176461 1027625070 /nfs/dbraw/zinc/62/50/70/1027625070.db2.gz SNXGZGJWURPXOS-ZBEGNZNMSA-N -1 3 352.369 2.506 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1c[nH]c2c1ncnc2Cl ZINC001152935160 1027722259 /nfs/dbraw/zinc/72/22/59/1027722259.db2.gz DJMUQYJRBCDPLR-UHFFFAOYSA-N -1 3 361.770 2.583 20 30 FFEDHM N#Cc1cc(NC(=O)c2cn3c(n2)CC[C@H](C(F)(F)F)C3)ccc1[O-] ZINC001153956135 1028085240 /nfs/dbraw/zinc/08/52/40/1028085240.db2.gz IUYRMRAMUNRJPP-JTQLQIEISA-N -1 3 350.300 2.837 20 30 FFEDHM N#Cc1ccc(CC(=O)[N-]OCc2ccc(F)cc2Br)cn1 ZINC001154436852 1028300484 /nfs/dbraw/zinc/30/04/84/1028300484.db2.gz RVEYOEIATUIURH-UHFFFAOYSA-N -1 3 364.174 2.645 20 30 FFEDHM CCCCN([O-])C(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1 ZINC001161827016 1028328241 /nfs/dbraw/zinc/32/82/41/1028328241.db2.gz SYDZSDJKVUZERD-UHFFFAOYSA-N -1 3 366.462 2.706 20 30 FFEDHM NC(=S)c1ccnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001163765626 1029055741 /nfs/dbraw/zinc/05/57/41/1029055741.db2.gz JFDFOPYMSIFCMY-UHFFFAOYSA-N -1 3 356.329 2.862 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc3nnc(-c4cccnc4)n3c2)ccc1[O-] ZINC001156252190 1029112087 /nfs/dbraw/zinc/11/20/87/1029112087.db2.gz YRFBLMPTLHPYGV-UHFFFAOYSA-N -1 3 356.345 2.621 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001157100359 1029466125 /nfs/dbraw/zinc/46/61/25/1029466125.db2.gz VGOMIGBKDDQYCS-UHFFFAOYSA-N -1 3 367.365 2.791 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001157100359 1029466133 /nfs/dbraw/zinc/46/61/33/1029466133.db2.gz VGOMIGBKDDQYCS-UHFFFAOYSA-N -1 3 367.365 2.791 20 30 FFEDHM N#Cc1ccc2c(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)c[nH]c2c1 ZINC001142926377 1031064987 /nfs/dbraw/zinc/06/49/87/1031064987.db2.gz PRZCOICESLIIBB-UHFFFAOYSA-N -1 3 360.417 2.703 20 30 FFEDHM N#CCCCN1CC[C@]2(CCN(Cc3cc(F)c([O-])c(Cl)c3)C2)C1=O ZINC001276998012 1034011979 /nfs/dbraw/zinc/01/19/79/1034011979.db2.gz BVOGJKNVNQOKNJ-SFHVURJKSA-N -1 3 365.836 2.913 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)[n-]1 ZINC001225467622 1034265904 /nfs/dbraw/zinc/26/59/04/1034265904.db2.gz TWTKPDMEUPUYHN-BTTYYORXSA-N -1 3 359.426 2.992 20 30 FFEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119367 1034534484 /nfs/dbraw/zinc/53/44/84/1034534484.db2.gz NKFQPNVRBWUEMX-CYBMUJFWSA-N -1 3 350.516 2.834 20 30 FFEDHM C=CCN1CC2(CCC1=O)CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001277108555 1034575613 /nfs/dbraw/zinc/57/56/13/1034575613.db2.gz VZIOUOBHPJBMKA-UHFFFAOYSA-N -1 3 360.429 2.915 20 30 FFEDHM C=CCN1C(=O)CCC[C@]12CCCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001140500511 1035515538 /nfs/dbraw/zinc/51/55/38/1035515538.db2.gz CBRJBKITVFIEML-HXUWFJFHSA-N -1 3 359.470 2.863 20 30 FFEDHM CC[C@H]1OC(C)=C(Oc2cccc([O-])c2I)C1=O ZINC001227381872 1035523345 /nfs/dbraw/zinc/52/33/45/1035523345.db2.gz RKTKNEROIKLSTG-SECBINFHSA-N -1 3 360.147 2.985 20 30 FFEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=S)ncc1CC(=O)OCC ZINC001228708416 1036278843 /nfs/dbraw/zinc/27/88/43/1036278843.db2.gz PVXTXIWNRNUQBF-LBPRGKRZSA-N -1 3 368.455 2.536 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2[n-]c(=O)nc3ccc(Cl)cc32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228912902 1036401353 /nfs/dbraw/zinc/40/13/53/1036401353.db2.gz NAKIFKYBDQVHNF-ABHRYQDASA-N -1 3 364.785 2.799 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2cccc([O-])c2Br)[C@H]2OC(C)(C)O[C@@H]12 ZINC001229140330 1036518914 /nfs/dbraw/zinc/51/89/14/1036518914.db2.gz AOWYYPCSTFLQSK-NZPIUUIZSA-N -1 3 357.200 2.965 20 30 FFEDHM CC[C@@H](C#CC(=O)OC)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192798 1036543548 /nfs/dbraw/zinc/54/35/48/1036543548.db2.gz UJGDVWPVPJCJAF-LBPRGKRZSA-N -1 3 364.353 2.501 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](Oc3cc([O-])cc(C#N)c3)CO2)C1 ZINC001234140899 1036938410 /nfs/dbraw/zinc/93/84/10/1036938410.db2.gz LNKLQTMOIQEUSJ-LPHOPBHVSA-N -1 3 360.410 2.811 20 30 FFEDHM COC(=O)Cc1c(=O)[n-]cnc1O[C@@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001230493326 1037293141 /nfs/dbraw/zinc/29/31/41/1037293141.db2.gz XFHYMQRCGYFXOX-INIZCTEOSA-N -1 3 370.481 2.899 20 30 FFEDHM C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1 ZINC001231446517 1037585782 /nfs/dbraw/zinc/58/57/82/1037585782.db2.gz JRGONLWUQHWBTK-HXUWFJFHSA-N -1 3 374.437 2.701 20 30 FFEDHM C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1 ZINC001231446517 1037585795 /nfs/dbraw/zinc/58/57/95/1037585795.db2.gz JRGONLWUQHWBTK-HXUWFJFHSA-N -1 3 374.437 2.701 20 30 FFEDHM C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450611 1037590028 /nfs/dbraw/zinc/59/00/28/1037590028.db2.gz TXFVUADAHNPBEY-HXUWFJFHSA-N -1 3 358.438 2.624 20 30 FFEDHM C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450611 1037590037 /nfs/dbraw/zinc/59/00/37/1037590037.db2.gz TXFVUADAHNPBEY-HXUWFJFHSA-N -1 3 358.438 2.624 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208391120 1038275717 /nfs/dbraw/zinc/27/57/17/1038275717.db2.gz JELTVTCUEHTRSF-JJRVBVJISA-N -1 3 358.486 2.598 20 30 FFEDHM C#CCCCC(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001537628009 1070223052 /nfs/dbraw/zinc/22/30/52/1070223052.db2.gz NWKTUGXRBZTJLA-UHFFFAOYSA-N -1 3 364.199 2.854 20 30 FFEDHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)cc1 ZINC001259178752 1039770026 /nfs/dbraw/zinc/77/00/26/1039770026.db2.gz ZNPAKGAPPKFNCR-UHFFFAOYSA-N -1 3 354.309 2.979 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)ccc1C#N ZINC001259241857 1039830024 /nfs/dbraw/zinc/83/00/24/1039830024.db2.gz GWBDYWNMDKPWNB-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM O=C1c2ccccc2C([N-]S(=O)(=O)C2CCOCC2)=C1c1ccccc1 ZINC001259918270 1040295858 /nfs/dbraw/zinc/29/58/58/1040295858.db2.gz DANJZQXAUAIEQB-UHFFFAOYSA-N -1 3 369.442 2.850 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2ncc(Br)cc2F)cc1 ZINC001260038335 1040368136 /nfs/dbraw/zinc/36/81/36/1040368136.db2.gz AIFCWZIJXWYQFT-UHFFFAOYSA-N -1 3 370.203 2.797 20 30 FFEDHM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]/C(C)=C\C(=O)C(F)(F)F ZINC001260789826 1040799137 /nfs/dbraw/zinc/79/91/37/1040799137.db2.gz KJBRFQLPRWPVHU-YVMONPNESA-N -1 3 371.764 2.971 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@](F)(c2ccccc2)C1 ZINC001262956967 1041988613 /nfs/dbraw/zinc/98/86/13/1041988613.db2.gz FMEXRJKFUIIQJH-IBGZPJMESA-N -1 3 366.400 2.702 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](OCCC(C)C)C1 ZINC001263323677 1042240730 /nfs/dbraw/zinc/24/07/30/1042240730.db2.gz WUBYCEXEXWPWDX-CQSZACIVSA-N -1 3 361.446 2.856 20 30 FFEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC001309746812 1043506684 /nfs/dbraw/zinc/50/66/84/1043506684.db2.gz LMJLNUVIFPJCCR-UHFFFAOYSA-N -1 3 361.485 2.814 20 30 FFEDHM Cc1nc[n-]c(=O)c1CCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC001319062101 1045008687 /nfs/dbraw/zinc/00/86/87/1045008687.db2.gz KFZUNMPVACGGJQ-UHFFFAOYSA-N -1 3 363.339 2.610 20 30 FFEDHM CSc1ncc(-c2c([O-])cccc2Cl)c(COS(C)(=O)=O)n1 ZINC001244033039 1045067215 /nfs/dbraw/zinc/06/72/15/1045067215.db2.gz JSWOFUCNEIEHJB-UHFFFAOYSA-N -1 3 360.844 2.701 20 30 FFEDHM CN1CCN(c2ccc(/C=C\C(=O)c3cc(O)ccc3[O-])cc2F)CC1 ZINC001319587962 1045206633 /nfs/dbraw/zinc/20/66/33/1045206633.db2.gz NBKJJVPVKCNAHH-UTCJRWHESA-N -1 3 356.397 2.885 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001282443493 1045624667 /nfs/dbraw/zinc/62/46/67/1045624667.db2.gz SPKAHRBXOLOLQR-YCRPNKLZSA-N -1 3 356.466 2.915 20 30 FFEDHM C=C(C)[C@H](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2)OCC ZINC001282601940 1045946700 /nfs/dbraw/zinc/94/67/00/1045946700.db2.gz FOZFWOTXSQVIFQ-WMEZAQDKSA-N -1 3 372.465 2.625 20 30 FFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001290621549 1048257790 /nfs/dbraw/zinc/25/77/90/1048257790.db2.gz AWZGHDGDVXEMLK-UHFFFAOYSA-N -1 3 354.391 2.663 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn2c(n1)CCCC2 ZINC001341818192 1050431692 /nfs/dbraw/zinc/43/16/92/1050431692.db2.gz RCVDDSMAZASVGU-CYBMUJFWSA-N -1 3 352.394 2.579 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(OC2CCC2)c1 ZINC001342585529 1051191866 /nfs/dbraw/zinc/19/18/66/1051191866.db2.gz VSQXVJZDINOIRE-HNNXBMFYSA-N -1 3 365.389 2.983 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(C#N)c(F)cc2C)c([O-])c1 ZINC001303310247 1051327439 /nfs/dbraw/zinc/32/74/39/1051327439.db2.gz OEYZNUZHGPEYTF-UHFFFAOYSA-N -1 3 355.369 2.778 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001343287834 1052137221 /nfs/dbraw/zinc/13/72/21/1052137221.db2.gz LVDUCEHSPJCYHO-UHFFFAOYSA-N -1 3 372.473 2.719 20 30 FFEDHM C[C@@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC001306892481 1052213278 /nfs/dbraw/zinc/21/32/78/1052213278.db2.gz HJLRYJWXLLOFRS-CQSZACIVSA-N -1 3 352.390 2.694 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCN(c2ccccc2)C1=O ZINC001542905790 1071333272 /nfs/dbraw/zinc/33/32/72/1071333272.db2.gz FATOZNQCDMIMCH-MRXNPFEDSA-N -1 3 355.344 2.572 20 30 FFEDHM CC#CC[C@@H](NCc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-] ZINC001334852551 1053115073 /nfs/dbraw/zinc/11/50/73/1053115073.db2.gz HJUSGQLQJQTVOQ-JKSUJKDBSA-N -1 3 351.830 2.854 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001543553639 1071497882 /nfs/dbraw/zinc/49/78/82/1071497882.db2.gz RAUULPJVPFYXLE-UHFFFAOYSA-N -1 3 353.328 2.950 20 30 FFEDHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N(C)[C@@H](C)CC#N ZINC001338792519 1055819972 /nfs/dbraw/zinc/81/99/72/1055819972.db2.gz YNYNUJUOEPRVCT-AWEZNQCLSA-N -1 3 363.425 2.761 20 30 FFEDHM COc1ccnc(OC)c1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001357295325 1055858034 /nfs/dbraw/zinc/85/80/34/1055858034.db2.gz KIULPZYGRQZBOI-UHFFFAOYSA-N -1 3 362.729 2.784 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](C(=O)OC)C3)n2CC)c1[O-] ZINC001352926491 1055938770 /nfs/dbraw/zinc/93/87/70/1055938770.db2.gz PCTLEWLLKSAYNL-HNNXBMFYSA-N -1 3 370.453 2.789 20 30 FFEDHM N#Cc1cc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)co1 ZINC001519247019 1058685778 /nfs/dbraw/zinc/68/57/78/1058685778.db2.gz BCAHMMLYNHZHQP-UHFFFAOYSA-N -1 3 372.182 2.806 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001450274292 1059002280 /nfs/dbraw/zinc/00/22/80/1059002280.db2.gz WPOVZNUWFANFBU-AWEZNQCLSA-N -1 3 361.785 2.637 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](CC)O[C@H](CC)C1 ZINC001515003124 1059210255 /nfs/dbraw/zinc/21/02/55/1059210255.db2.gz LOHODVTXNHJOFO-HUUCEWRRSA-N -1 3 372.473 2.719 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]1CSC ZINC001515030678 1059240188 /nfs/dbraw/zinc/24/01/88/1059240188.db2.gz AFABJOWRTRZDTN-SNVBAGLBSA-N -1 3 353.883 2.625 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]1CSC ZINC001515030678 1059240206 /nfs/dbraw/zinc/24/02/06/1059240206.db2.gz AFABJOWRTRZDTN-SNVBAGLBSA-N -1 3 353.883 2.625 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)C[C@H]1CCOC1 ZINC001520198392 1059475879 /nfs/dbraw/zinc/47/58/79/1059475879.db2.gz VZFVXQUMWJEJHV-GFCCVEGCSA-N -1 3 371.466 2.919 20 30 FFEDHM C#C[C@@H]1CCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000848282649 1059590780 /nfs/dbraw/zinc/59/07/80/1059590780.db2.gz YBMLGXXKMOFRQH-LLVKDONJSA-N -1 3 364.323 2.912 20 30 FFEDHM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N([O-])Cc1ccc(F)cc1)C2=O ZINC001458017931 1060491160 /nfs/dbraw/zinc/49/11/60/1060491160.db2.gz SCJPJUZRFCDLLF-GFCCVEGCSA-N -1 3 356.353 2.537 20 30 FFEDHM N#Cc1c[n-]n2c1nc(CN1CC[C@H](Cc3ccc(F)cc3)C1)cc2=O ZINC001459508257 1060770005 /nfs/dbraw/zinc/77/00/05/1060770005.db2.gz MUCHZZRSUFADLV-CQSZACIVSA-N -1 3 351.385 2.510 20 30 FFEDHM C=CCC1(C[N-]S(=O)(=O)c2cn(C)nc2Br)CCCC1 ZINC001475292932 1061036426 /nfs/dbraw/zinc/03/64/26/1061036426.db2.gz UXLQQMPFQIALNH-UHFFFAOYSA-N -1 3 362.293 2.597 20 30 FFEDHM C=CCn1cc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)nn1 ZINC001475413799 1061079508 /nfs/dbraw/zinc/07/95/08/1061079508.db2.gz FMELMUXYKUAZBU-UHFFFAOYSA-N -1 3 362.842 2.749 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001524188374 1062748906 /nfs/dbraw/zinc/74/89/06/1062748906.db2.gz DPBBBDCCOFUBDI-MRXNPFEDSA-N -1 3 367.409 2.793 20 30 FFEDHM Cc1cc(=O)[n-]c(CNC(=O)c2cccc(COc3ccccc3C#N)c2)n1 ZINC001469724894 1064201930 /nfs/dbraw/zinc/20/19/30/1064201930.db2.gz VPGKXMLUHXUUDA-UHFFFAOYSA-N -1 3 374.400 2.871 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC001575190065 1078115464 /nfs/dbraw/zinc/11/54/64/1078115464.db2.gz QYSQHNWHOFZANX-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC001575190065 1078115467 /nfs/dbraw/zinc/11/54/67/1078115467.db2.gz QYSQHNWHOFZANX-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)ccc1Br ZINC001472088638 1064926017 /nfs/dbraw/zinc/92/60/17/1064926017.db2.gz VPKPFXCRCZVXGA-UHFFFAOYSA-N -1 3 359.183 2.946 20 30 FFEDHM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N([O-])Cc1ccccc1Cl ZINC001472619009 1065113372 /nfs/dbraw/zinc/11/33/72/1065113372.db2.gz RXSUYZKBVLIQQW-KBPBESRZSA-N -1 3 364.829 2.623 20 30 FFEDHM CN1CC(=O)Nc2cc(C(=O)N([O-])Cc3cccc4ccccc43)cnc21 ZINC001472622694 1065114212 /nfs/dbraw/zinc/11/42/12/1065114212.db2.gz NQNJCXBBVDOIOP-UHFFFAOYSA-N -1 3 362.389 2.655 20 30 FFEDHM C#CCSCC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001474989623 1065664629 /nfs/dbraw/zinc/66/46/29/1065664629.db2.gz KXXKEIGRKVUMIA-UHFFFAOYSA-N -1 3 366.277 2.541 20 30 FFEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)C(F)(F)c1ccccc1C#N ZINC001579242268 1078598952 /nfs/dbraw/zinc/59/89/52/1078598952.db2.gz YHRMJWTXHFZDSB-UHFFFAOYSA-N -1 3 374.376 2.550 20 30 FFEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)C(F)(F)c1ccccc1C#N ZINC001579242268 1078598960 /nfs/dbraw/zinc/59/89/60/1078598960.db2.gz YHRMJWTXHFZDSB-UHFFFAOYSA-N -1 3 374.376 2.550 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001579886836 1078707991 /nfs/dbraw/zinc/70/79/91/1078707991.db2.gz WFSPENNCTKJVLE-LBPRGKRZSA-N -1 3 363.377 2.531 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001579886836 1078707995 /nfs/dbraw/zinc/70/79/95/1078707995.db2.gz WFSPENNCTKJVLE-LBPRGKRZSA-N -1 3 363.377 2.531 20 30 FFEDHM Cc1ccc(SCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C#N)c1 ZINC001581213895 1078940642 /nfs/dbraw/zinc/94/06/42/1078940642.db2.gz PLVRQMBRVLJVIN-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM Cc1ccc(SCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C#N)c1 ZINC001581213895 1078940648 /nfs/dbraw/zinc/94/06/48/1078940648.db2.gz PLVRQMBRVLJVIN-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM N#CC[C@@H](CC(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC001581858042 1079009386 /nfs/dbraw/zinc/00/93/86/1079009386.db2.gz OFHZFNFVQGDCBK-LBPRGKRZSA-N -1 3 367.800 2.941 20 30 FFEDHM N#CC[C@@H](CC(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC001581858042 1079009393 /nfs/dbraw/zinc/00/93/93/1079009393.db2.gz OFHZFNFVQGDCBK-LBPRGKRZSA-N -1 3 367.800 2.941 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cc(C#N)cs1 ZINC001585394175 1079458855 /nfs/dbraw/zinc/45/88/55/1079458855.db2.gz SHBVZPZRWLPTLC-UHFFFAOYSA-N -1 3 354.435 2.800 20 30 FFEDHM CCc1nc(C)c(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)s1 ZINC001559032684 1076117637 /nfs/dbraw/zinc/11/76/37/1076117637.db2.gz FCAAWMCRTQEEER-UHFFFAOYSA-N -1 3 373.434 2.532 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C ZINC001559035554 1076118096 /nfs/dbraw/zinc/11/80/96/1076118096.db2.gz WHBDKYGMDGXWRY-CYBMUJFWSA-N -1 3 360.451 2.631 20 30 FFEDHM COc1cccc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)c1 ZINC001561149733 1076339199 /nfs/dbraw/zinc/33/91/99/1076339199.db2.gz GEHGVCYDVGRBLF-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001562440096 1076495240 /nfs/dbraw/zinc/49/52/40/1076495240.db2.gz CPBHZRBZYKLNBW-UHFFFAOYSA-N -1 3 366.356 2.586 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001562440096 1076495245 /nfs/dbraw/zinc/49/52/45/1076495245.db2.gz CPBHZRBZYKLNBW-UHFFFAOYSA-N -1 3 366.356 2.586 20 30 FFEDHM C=CCN(C)CCN(CC)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001568551624 1077100593 /nfs/dbraw/zinc/10/05/93/1077100593.db2.gz MGRWAFKUCAYHJM-UHFFFAOYSA-N -1 3 360.433 2.605 20 30 FFEDHM CC(C)Cc1ccc([C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N(C)C)cc1 ZINC001573539476 1077733187 /nfs/dbraw/zinc/73/31/87/1077733187.db2.gz LUKLIJJVMKJZNS-YLJYHZDGSA-N -1 3 359.470 2.609 20 30 FFEDHM CC(C)(NC(=O)c1ccc(F)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001573920917 1077848122 /nfs/dbraw/zinc/84/81/22/1077848122.db2.gz YVOPYPOVBCSLEL-UHFFFAOYSA-N -1 3 350.357 2.543 20 30 FFEDHM CC(C)(NC(=O)c1ccc(F)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001573920917 1077848119 /nfs/dbraw/zinc/84/81/19/1077848119.db2.gz YVOPYPOVBCSLEL-UHFFFAOYSA-N -1 3 350.357 2.543 20 30 FFEDHM CC(C)O[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001574296264 1077950991 /nfs/dbraw/zinc/95/09/91/1077950991.db2.gz BXQSRHIIVBEICZ-QGZVFWFLSA-N -1 3 362.393 2.843 20 30 FFEDHM CC(C)O[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001574296264 1077950995 /nfs/dbraw/zinc/95/09/95/1077950995.db2.gz BXQSRHIIVBEICZ-QGZVFWFLSA-N -1 3 362.393 2.843 20 30 FFEDHM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(Cc3ccc(C#N)cc3Cl)C2)cn1 ZINC001574453600 1077992255 /nfs/dbraw/zinc/99/22/55/1077992255.db2.gz IMCMMPLMLTYOJL-LSDHHAIUSA-N -1 3 358.829 2.635 20 30 FFEDHM N#Cc1ccc(C(=O)[N-]c2nccc(F)c2I)o1 ZINC001586244126 1079583121 /nfs/dbraw/zinc/58/31/21/1079583121.db2.gz RJEPZSLUPCIXLR-UHFFFAOYSA-N -1 3 357.082 2.542 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1)C(C)C ZINC001588329927 1079984983 /nfs/dbraw/zinc/98/49/83/1079984983.db2.gz RCNVGCPNWOWNGE-AWEZNQCLSA-N -1 3 356.430 2.823 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1)C(C)C ZINC001588329927 1079984987 /nfs/dbraw/zinc/98/49/87/1079984987.db2.gz RCNVGCPNWOWNGE-AWEZNQCLSA-N -1 3 356.430 2.823 20 30 FFEDHM C#C[C@H](NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001588329446 1079985106 /nfs/dbraw/zinc/98/51/06/1079985106.db2.gz GKUHLXQTDFPDLR-NWDGAFQWSA-N -1 3 374.470 2.528 20 30 FFEDHM C#C[C@H](NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588329446 1079985112 /nfs/dbraw/zinc/98/51/12/1079985112.db2.gz GKUHLXQTDFPDLR-NWDGAFQWSA-N -1 3 374.470 2.528 20 30 FFEDHM C#C[C@H]1CCCN(c2cc(Br)c(-c3nnn[n-]3)cc2F)C1 ZINC001588331734 1079986784 /nfs/dbraw/zinc/98/67/84/1079986784.db2.gz CQBMRVJUTAYEAF-VIFPVBQESA-N -1 3 350.195 2.618 20 30 FFEDHM C#C[C@H]1CCCN(c2cc(Br)c(-c3nn[n-]n3)cc2F)C1 ZINC001588331734 1079986790 /nfs/dbraw/zinc/98/67/90/1079986790.db2.gz CQBMRVJUTAYEAF-VIFPVBQESA-N -1 3 350.195 2.618 20 30 FFEDHM C#C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001588332938 1079987721 /nfs/dbraw/zinc/98/77/21/1079987721.db2.gz WMJOLTSHJYRMCU-SECBINFHSA-N -1 3 358.327 2.682 20 30 FFEDHM C#C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001588332938 1079987725 /nfs/dbraw/zinc/98/77/25/1079987725.db2.gz WMJOLTSHJYRMCU-SECBINFHSA-N -1 3 358.327 2.682 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588334196 1079988986 /nfs/dbraw/zinc/98/89/86/1079988986.db2.gz QHHVQGXKRTUBSL-DNVCBOLYSA-N -1 3 374.448 2.862 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588334196 1079988991 /nfs/dbraw/zinc/98/89/91/1079988991.db2.gz QHHVQGXKRTUBSL-DNVCBOLYSA-N -1 3 374.448 2.862 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588334457 1079989164 /nfs/dbraw/zinc/98/91/64/1079989164.db2.gz XYFCZQHDMWEWAB-KAUXGEHWSA-N -1 3 357.417 2.631 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588334457 1079989166 /nfs/dbraw/zinc/98/91/66/1079989166.db2.gz XYFCZQHDMWEWAB-KAUXGEHWSA-N -1 3 357.417 2.631 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588334223 1079989213 /nfs/dbraw/zinc/98/92/13/1079989213.db2.gz QYJRMCCXYXUKGZ-OXQOHEQNSA-N -1 3 373.460 2.796 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588334223 1079989214 /nfs/dbraw/zinc/98/92/14/1079989214.db2.gz QYJRMCCXYXUKGZ-OXQOHEQNSA-N -1 3 373.460 2.796 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@@H](C)CC2 ZINC001588360132 1079992025 /nfs/dbraw/zinc/99/20/25/1079992025.db2.gz JHUGJRYGKSHVLZ-GARJFASQSA-N -1 3 359.455 2.591 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@@H](C)CC2 ZINC001588360132 1079992027 /nfs/dbraw/zinc/99/20/27/1079992027.db2.gz JHUGJRYGKSHVLZ-GARJFASQSA-N -1 3 359.455 2.591 20 30 FFEDHM C#CCOc1ccc(NC(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001588361852 1079993439 /nfs/dbraw/zinc/99/34/39/1079993439.db2.gz LCLHAVHEZQVVPH-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM C#CCOc1ccc(NC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001588361852 1079993444 /nfs/dbraw/zinc/99/34/44/1079993444.db2.gz LCLHAVHEZQVVPH-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM C#CCOc1ccc(COC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC001588362259 1079993725 /nfs/dbraw/zinc/99/37/25/1079993725.db2.gz YPXONEKELBGYEI-UHFFFAOYSA-N -1 3 374.400 2.654 20 30 FFEDHM C#CCOc1ccc(COC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001588362259 1079993730 /nfs/dbraw/zinc/99/37/30/1079993730.db2.gz YPXONEKELBGYEI-UHFFFAOYSA-N -1 3 374.400 2.654 20 30 FFEDHM C#CCOc1ccc(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)cc1 ZINC001588361755 1079993750 /nfs/dbraw/zinc/99/37/50/1079993750.db2.gz IQBHUGZWWFTPLU-UHFFFAOYSA-N -1 3 358.361 2.612 20 30 FFEDHM C#CCOc1ccccc1-c1noc(-c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC001588363119 1079994428 /nfs/dbraw/zinc/99/44/28/1079994428.db2.gz LQAPDKYTGRDQHW-UHFFFAOYSA-N -1 3 358.361 2.904 20 30 FFEDHM C#CCOc1ccccc1-c1noc(-c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC001588363119 1079994433 /nfs/dbraw/zinc/99/44/33/1079994433.db2.gz LQAPDKYTGRDQHW-UHFFFAOYSA-N -1 3 358.361 2.904 20 30 FFEDHM C#Cc1cccc(CNc2ncc(Br)cc2-c2nnn[n-]2)c1 ZINC001588374640 1079997729 /nfs/dbraw/zinc/99/77/29/1079997729.db2.gz FXGGOQAZUXOLCZ-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C#Cc1cccc(CNc2ncc(Br)cc2-c2nn[n-]n2)c1 ZINC001588374640 1079997734 /nfs/dbraw/zinc/99/77/34/1079997734.db2.gz FXGGOQAZUXOLCZ-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588391588 1080003430 /nfs/dbraw/zinc/00/34/30/1080003430.db2.gz MXZCTXLVKJGSAL-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588391588 1080003439 /nfs/dbraw/zinc/00/34/39/1080003439.db2.gz MXZCTXLVKJGSAL-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588395051 1080006298 /nfs/dbraw/zinc/00/62/98/1080006298.db2.gz PBIFPFQAUAYWOZ-DOTOQJQBSA-N -1 3 368.458 2.776 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588394947 1080006350 /nfs/dbraw/zinc/00/63/50/1080006350.db2.gz ZQHSNZAEBDIMMP-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588394947 1080006356 /nfs/dbraw/zinc/00/63/56/1080006356.db2.gz ZQHSNZAEBDIMMP-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001588404233 1080011854 /nfs/dbraw/zinc/01/18/54/1080011854.db2.gz FYVSMNSRWSSDHU-LLVKDONJSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001588404233 1080011864 /nfs/dbraw/zinc/01/18/64/1080011864.db2.gz FYVSMNSRWSSDHU-LLVKDONJSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588415236 1080017726 /nfs/dbraw/zinc/01/77/26/1080017726.db2.gz GJYQZAZJTHSBNV-HOCLYGCPSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588415236 1080017735 /nfs/dbraw/zinc/01/77/35/1080017735.db2.gz GJYQZAZJTHSBNV-HOCLYGCPSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H](C)C1 ZINC001588447250 1080029965 /nfs/dbraw/zinc/02/99/65/1080029965.db2.gz BUWKRAUAFZLSQV-NSHDSACASA-N -1 3 370.848 2.724 20 30 FFEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H](C)C1 ZINC001588447250 1080029972 /nfs/dbraw/zinc/02/99/72/1080029972.db2.gz BUWKRAUAFZLSQV-NSHDSACASA-N -1 3 370.848 2.724 20 30 FFEDHM C=C[C@H](C(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc12)c1ccccc1 ZINC001588468522 1080038701 /nfs/dbraw/zinc/03/87/01/1080038701.db2.gz UHFGDIUEXGKMKT-ZDUSSCGKSA-N -1 3 359.393 2.960 20 30 FFEDHM C=C[C@H](C(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc12)c1ccccc1 ZINC001588468522 1080038710 /nfs/dbraw/zinc/03/87/10/1080038710.db2.gz UHFGDIUEXGKMKT-ZDUSSCGKSA-N -1 3 359.393 2.960 20 30 FFEDHM C=CC(C)(C)CC(=O)N(CCN(C)c1ncccc1-c1nnn[n-]1)C(C)C ZINC001588480976 1080044699 /nfs/dbraw/zinc/04/46/99/1080044699.db2.gz GSAHMPLCITXRNX-UHFFFAOYSA-N -1 3 371.489 2.537 20 30 FFEDHM C=CC(C)(C)CC(=O)N(CCN(C)c1ncccc1-c1nn[n-]n1)C(C)C ZINC001588480976 1080044704 /nfs/dbraw/zinc/04/47/04/1080044704.db2.gz GSAHMPLCITXRNX-UHFFFAOYSA-N -1 3 371.489 2.537 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCN(CC)c1cccc(F)c1-c1nnn[n-]1 ZINC001588483336 1080047142 /nfs/dbraw/zinc/04/71/42/1080047142.db2.gz GWNMSDNDDAOVCP-UHFFFAOYSA-N -1 3 360.437 2.551 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCN(CC)c1cccc(F)c1-c1nn[n-]n1 ZINC001588483336 1080047150 /nfs/dbraw/zinc/04/71/50/1080047150.db2.gz GWNMSDNDDAOVCP-UHFFFAOYSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588491021 1080051397 /nfs/dbraw/zinc/05/13/97/1080051397.db2.gz CCRYBBACQPUCOY-KUHUBIRLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588491021 1080051407 /nfs/dbraw/zinc/05/14/07/1080051407.db2.gz CCRYBBACQPUCOY-KUHUBIRLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001588518572 1080069549 /nfs/dbraw/zinc/06/95/49/1080069549.db2.gz GMQNWWMRNGEULX-XJKSGUPXSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001588518572 1080069554 /nfs/dbraw/zinc/06/95/54/1080069554.db2.gz GMQNWWMRNGEULX-XJKSGUPXSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588521924 1080074527 /nfs/dbraw/zinc/07/45/27/1080074527.db2.gz WJPGBNAUNSEYIW-KGLIPLIRSA-N -1 3 372.448 2.645 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588521924 1080074536 /nfs/dbraw/zinc/07/45/36/1080074536.db2.gz WJPGBNAUNSEYIW-KGLIPLIRSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001588532509 1080081309 /nfs/dbraw/zinc/08/13/09/1080081309.db2.gz YETGEFOIIFGEOU-UHFFFAOYSA-N -1 3 373.432 2.978 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588532509 1080081320 /nfs/dbraw/zinc/08/13/20/1080081320.db2.gz YETGEFOIIFGEOU-UHFFFAOYSA-N -1 3 373.432 2.978 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588532961 1080083287 /nfs/dbraw/zinc/08/32/87/1080083287.db2.gz KDEDYUUTPGTBOC-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588532961 1080083295 /nfs/dbraw/zinc/08/32/95/1080083295.db2.gz KDEDYUUTPGTBOC-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588544623 1080089441 /nfs/dbraw/zinc/08/94/41/1080089441.db2.gz NEKXZNCXOFLQTO-LBPRGKRZSA-N -1 3 358.421 2.691 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588544623 1080089454 /nfs/dbraw/zinc/08/94/54/1080089454.db2.gz NEKXZNCXOFLQTO-LBPRGKRZSA-N -1 3 358.421 2.691 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588551823 1080092681 /nfs/dbraw/zinc/09/26/81/1080092681.db2.gz ISZVEBRPNAFHLY-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588551823 1080092688 /nfs/dbraw/zinc/09/26/88/1080092688.db2.gz ISZVEBRPNAFHLY-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588560428 1080099183 /nfs/dbraw/zinc/09/91/83/1080099183.db2.gz QNDPSXGFTZJNQJ-DYVFJYSZSA-N -1 3 354.458 2.797 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588560428 1080099189 /nfs/dbraw/zinc/09/91/89/1080099189.db2.gz QNDPSXGFTZJNQJ-DYVFJYSZSA-N -1 3 354.458 2.797 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588563870 1080099988 /nfs/dbraw/zinc/09/99/88/1080099988.db2.gz CZHLDMHPSRJCGD-HNNXBMFYSA-N -1 3 355.442 2.840 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588563870 1080100001 /nfs/dbraw/zinc/10/00/01/1080100001.db2.gz CZHLDMHPSRJCGD-HNNXBMFYSA-N -1 3 355.442 2.840 20 30 FFEDHM C=CCCC1(CNC(=O)C(=O)Nc2sccc2-c2nnn[n-]2)CCCC1 ZINC001588579211 1080107582 /nfs/dbraw/zinc/10/75/82/1080107582.db2.gz KSCXISPLGOUHDY-UHFFFAOYSA-N -1 3 374.470 2.510 20 30 FFEDHM C=CCCC1(CNC(=O)C(=O)Nc2sccc2-c2nn[n-]n2)CCCC1 ZINC001588579211 1080107585 /nfs/dbraw/zinc/10/75/85/1080107585.db2.gz KSCXISPLGOUHDY-UHFFFAOYSA-N -1 3 374.470 2.510 20 30 FFEDHM C=CCC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588579187 1080107677 /nfs/dbraw/zinc/10/76/77/1080107677.db2.gz JZIWMEMRAXXYSG-QMMMGPOBSA-N -1 3 356.199 2.507 20 30 FFEDHM C=CCC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588579187 1080107682 /nfs/dbraw/zinc/10/76/82/1080107682.db2.gz JZIWMEMRAXXYSG-QMMMGPOBSA-N -1 3 356.199 2.507 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H](CC)C1 ZINC001588587978 1080110914 /nfs/dbraw/zinc/11/09/14/1080110914.db2.gz AZJDRAXEEQLSKK-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H](CC)C1 ZINC001588587978 1080110916 /nfs/dbraw/zinc/11/09/16/1080110916.db2.gz AZJDRAXEEQLSKK-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588635540 1080130812 /nfs/dbraw/zinc/13/08/12/1080130812.db2.gz MUQTUUGUNVGOBW-UHFFFAOYSA-N -1 3 362.846 2.749 20 30 FFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588635540 1080130818 /nfs/dbraw/zinc/13/08/18/1080130818.db2.gz MUQTUUGUNVGOBW-UHFFFAOYSA-N -1 3 362.846 2.749 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1sccc1-c1nnn[n-]1 ZINC001588635829 1080131138 /nfs/dbraw/zinc/13/11/38/1080131138.db2.gz XWOSRWHCRLKEPO-UHFFFAOYSA-N -1 3 355.423 2.765 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1sccc1-c1nn[n-]n1 ZINC001588635829 1080131139 /nfs/dbraw/zinc/13/11/39/1080131139.db2.gz XWOSRWHCRLKEPO-UHFFFAOYSA-N -1 3 355.423 2.765 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](O)CC[C@@H](C)CC ZINC001588639780 1080132912 /nfs/dbraw/zinc/13/29/12/1080132912.db2.gz GLCUZCLSRKXHLW-YJBOKZPZSA-N -1 3 371.485 2.959 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](O)CC[C@@H](C)CC ZINC001588639780 1080132917 /nfs/dbraw/zinc/13/29/17/1080132917.db2.gz GLCUZCLSRKXHLW-YJBOKZPZSA-N -1 3 371.485 2.959 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1ccccc1O ZINC001588640011 1080133449 /nfs/dbraw/zinc/13/34/49/1080133449.db2.gz IHCLWGCTBWLODU-UHFFFAOYSA-N -1 3 363.421 2.720 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1ccccc1O ZINC001588640011 1080133453 /nfs/dbraw/zinc/13/34/53/1080133453.db2.gz IHCLWGCTBWLODU-UHFFFAOYSA-N -1 3 363.421 2.720 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001588641356 1080134709 /nfs/dbraw/zinc/13/47/09/1080134709.db2.gz DJMZZDVOCNOSGT-BHYGNILZSA-N -1 3 352.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001588641356 1080134712 /nfs/dbraw/zinc/13/47/12/1080134712.db2.gz DJMZZDVOCNOSGT-BHYGNILZSA-N -1 3 352.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC001588641861 1080134733 /nfs/dbraw/zinc/13/47/33/1080134733.db2.gz NRGYPJGHYOEGSQ-XJKSGUPXSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC001588641861 1080134736 /nfs/dbraw/zinc/13/47/36/1080134736.db2.gz NRGYPJGHYOEGSQ-XJKSGUPXSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001588641420 1080134787 /nfs/dbraw/zinc/13/47/87/1080134787.db2.gz FDZSQKXOOZQVMP-RNJTYBCJSA-N -1 3 366.469 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001588641420 1080134791 /nfs/dbraw/zinc/13/47/91/1080134791.db2.gz FDZSQKXOOZQVMP-RNJTYBCJSA-N -1 3 366.469 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1oc(CCC)nc1C ZINC001588648321 1080137808 /nfs/dbraw/zinc/13/78/08/1080137808.db2.gz NCJPOUSDLPFEIW-UHFFFAOYSA-N -1 3 366.425 2.944 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1oc(CCC)nc1C ZINC001588648321 1080137812 /nfs/dbraw/zinc/13/78/12/1080137812.db2.gz NCJPOUSDLPFEIW-UHFFFAOYSA-N -1 3 366.425 2.944 20 30 FFEDHM C=CCN(Cc1cnnn1-c1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652436 1080142167 /nfs/dbraw/zinc/14/21/67/1080142167.db2.gz ZUKALSGYGRCADH-UHFFFAOYSA-N -1 3 372.436 2.636 20 30 FFEDHM C=CCN(Cc1cnnn1-c1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652436 1080142174 /nfs/dbraw/zinc/14/21/74/1080142174.db2.gz ZUKALSGYGRCADH-UHFFFAOYSA-N -1 3 372.436 2.636 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001588688594 1080154416 /nfs/dbraw/zinc/15/44/16/1080154416.db2.gz LAVFFSJWZZZTNZ-AREMUKBSSA-N -1 3 371.397 2.859 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001588688594 1080154423 /nfs/dbraw/zinc/15/44/23/1080154423.db2.gz LAVFFSJWZZZTNZ-AREMUKBSSA-N -1 3 371.397 2.859 20 30 FFEDHM C=CCOc1cccnc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1CC ZINC001588688875 1080154503 /nfs/dbraw/zinc/15/45/03/1080154503.db2.gz TVTANBXNOWWBBH-UHFFFAOYSA-N -1 3 351.366 2.608 20 30 FFEDHM C=CCSCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588688617 1080154730 /nfs/dbraw/zinc/15/47/30/1080154730.db2.gz MFRALVNQDHHMKM-UHFFFAOYSA-N -1 3 374.514 2.954 20 30 FFEDHM C=CCSCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588688617 1080154735 /nfs/dbraw/zinc/15/47/35/1080154735.db2.gz MFRALVNQDHHMKM-UHFFFAOYSA-N -1 3 374.514 2.954 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588690027 1080155501 /nfs/dbraw/zinc/15/55/01/1080155501.db2.gz XNIZCOFVYIHKPS-UHFFFAOYSA-N -1 3 352.350 2.659 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588690027 1080155506 /nfs/dbraw/zinc/15/55/06/1080155506.db2.gz XNIZCOFVYIHKPS-UHFFFAOYSA-N -1 3 352.350 2.659 20 30 FFEDHM C=CCn1c(-c2cnc(C)c(-c3nnn[n-]3)c2)nnc1N(C)[C@@H](C)CCC ZINC001588705527 1080163264 /nfs/dbraw/zinc/16/32/64/1080163264.db2.gz YRLSULCNVAQYJO-LBPRGKRZSA-N -1 3 367.461 2.639 20 30 FFEDHM C=CCn1c(-c2cnc(C)c(-c3nn[n-]n3)c2)nnc1N(C)[C@@H](C)CCC ZINC001588705527 1080163267 /nfs/dbraw/zinc/16/32/67/1080163267.db2.gz YRLSULCNVAQYJO-LBPRGKRZSA-N -1 3 367.461 2.639 20 30 FFEDHM CC#CCCCC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588740455 1080177318 /nfs/dbraw/zinc/17/73/18/1080177318.db2.gz ODUACJZCJJJOTD-AWEZNQCLSA-N -1 3 351.332 2.780 20 30 FFEDHM CC#CCCCC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588740455 1080177325 /nfs/dbraw/zinc/17/73/25/1080177325.db2.gz ODUACJZCJJJOTD-AWEZNQCLSA-N -1 3 351.332 2.780 20 30 FFEDHM C=CC[C@@H](CO)NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001588745434 1080179013 /nfs/dbraw/zinc/17/90/13/1080179013.db2.gz ZFHJRFCSISGNPH-NSHDSACASA-N -1 3 370.236 2.904 20 30 FFEDHM CC#CCN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588747682 1080179602 /nfs/dbraw/zinc/17/96/02/1080179602.db2.gz RBUPBOPZIZOEKD-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CC#CCN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588747682 1080179608 /nfs/dbraw/zinc/17/96/08/1080179608.db2.gz RBUPBOPZIZOEKD-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CC(=NNC(=S)NC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588776617 1080190476 /nfs/dbraw/zinc/19/04/76/1080190476.db2.gz XOIBYRJZQNOFMI-UHFFFAOYSA-N -1 3 351.867 2.507 20 30 FFEDHM CC(=NNC(=S)NC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588776617 1080190480 /nfs/dbraw/zinc/19/04/80/1080190480.db2.gz XOIBYRJZQNOFMI-UHFFFAOYSA-N -1 3 351.867 2.507 20 30 FFEDHM CC(=NNCCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588777259 1080192274 /nfs/dbraw/zinc/19/22/74/1080192274.db2.gz KAYODQHLONAYRZ-UHFFFAOYSA-N -1 3 350.426 2.787 20 30 FFEDHM CC(=NNCCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588777259 1080192276 /nfs/dbraw/zinc/19/22/76/1080192276.db2.gz KAYODQHLONAYRZ-UHFFFAOYSA-N -1 3 350.426 2.787 20 30 FFEDHM CC(N=Nc1nccnc1C1CCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588781143 1080193143 /nfs/dbraw/zinc/19/31/43/1080193143.db2.gz HWDMIBRAYCCAHW-UHFFFAOYSA-N -1 3 352.377 2.899 20 30 FFEDHM CC(N=Nc1nccnc1C1CCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588781143 1080193147 /nfs/dbraw/zinc/19/31/47/1080193147.db2.gz HWDMIBRAYCCAHW-UHFFFAOYSA-N -1 3 352.377 2.899 20 30 FFEDHM CC(C)(C#N)CC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589033387 1080316055 /nfs/dbraw/zinc/31/60/55/1080316055.db2.gz GFEYHKVFGBGZOZ-LBPRGKRZSA-N -1 3 352.320 2.526 20 30 FFEDHM CC(C)(C#N)CC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589033387 1080316065 /nfs/dbraw/zinc/31/60/65/1080316065.db2.gz GFEYHKVFGBGZOZ-LBPRGKRZSA-N -1 3 352.320 2.526 20 30 FFEDHM CC(C)(C(=O)N1CCc2c1cccc2-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001589041974 1080319846 /nfs/dbraw/zinc/31/98/46/1080319846.db2.gz VKOUABVEAPPBMJ-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)(C(=O)N1CCc2c1cccc2-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001589041974 1080319850 /nfs/dbraw/zinc/31/98/50/1080319850.db2.gz VKOUABVEAPPBMJ-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589389142 1080513191 /nfs/dbraw/zinc/51/31/91/1080513191.db2.gz WMGUFYGABMGNNL-BPQIPLTHSA-N -1 3 369.465 2.518 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001589488480 1080560376 /nfs/dbraw/zinc/56/03/76/1080560376.db2.gz QPNULZWZSGEGRE-VBQJREDUSA-N -1 3 369.425 2.896 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001589488480 1080560384 /nfs/dbraw/zinc/56/03/84/1080560384.db2.gz QPNULZWZSGEGRE-VBQJREDUSA-N -1 3 369.425 2.896 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C#N)ccc1F ZINC001589702084 1080678984 /nfs/dbraw/zinc/67/89/84/1080678984.db2.gz QLVWYURWCVZLHH-UHFFFAOYSA-N -1 3 364.384 2.928 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C#N)ccc1F ZINC001589702084 1080678992 /nfs/dbraw/zinc/67/89/92/1080678992.db2.gz QLVWYURWCVZLHH-UHFFFAOYSA-N -1 3 364.384 2.928 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001589896582 1080844159 /nfs/dbraw/zinc/84/41/59/1080844159.db2.gz INSQESWHUXQAOG-LLVKDONJSA-N -1 3 351.341 2.662 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001589896582 1080844168 /nfs/dbraw/zinc/84/41/68/1080844168.db2.gz INSQESWHUXQAOG-LLVKDONJSA-N -1 3 351.341 2.662 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001589896495 1080844764 /nfs/dbraw/zinc/84/47/64/1080844764.db2.gz GRPBWEOUAZCOHP-ZDUSSCGKSA-N -1 3 358.405 2.506 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001589896495 1080844766 /nfs/dbraw/zinc/84/47/66/1080844766.db2.gz GRPBWEOUAZCOHP-ZDUSSCGKSA-N -1 3 358.405 2.506 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C#N)ccc1F ZINC001590043972 1080970104 /nfs/dbraw/zinc/97/01/04/1080970104.db2.gz MIYOSXHIEVBYMQ-LLVKDONJSA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C#N)ccc1F ZINC001590043972 1080970109 /nfs/dbraw/zinc/97/01/09/1080970109.db2.gz MIYOSXHIEVBYMQ-LLVKDONJSA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001590055622 1080984027 /nfs/dbraw/zinc/98/40/27/1080984027.db2.gz VOWVDUQDMBZZBB-AWEZNQCLSA-N -1 3 365.319 2.653 20 30 FFEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001590055622 1080984032 /nfs/dbraw/zinc/98/40/32/1080984032.db2.gz VOWVDUQDMBZZBB-AWEZNQCLSA-N -1 3 365.319 2.653 20 30 FFEDHM CC1(C2CC2)CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590122153 1081029187 /nfs/dbraw/zinc/02/91/87/1081029187.db2.gz ORZQSJXFLZEKET-INIZCTEOSA-N -1 3 364.453 2.588 20 30 FFEDHM C[C@]1(CNc2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)CCCO1 ZINC001590134847 1081042117 /nfs/dbraw/zinc/04/21/17/1081042117.db2.gz KWLBYFJTFFNIGA-LJQANCHMSA-N -1 3 367.457 2.773 20 30 FFEDHM C[C@]1(CNc2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)CCCO1 ZINC001590134847 1081042125 /nfs/dbraw/zinc/04/21/25/1081042125.db2.gz KWLBYFJTFFNIGA-LJQANCHMSA-N -1 3 367.457 2.773 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1(C)C ZINC001590146527 1081050092 /nfs/dbraw/zinc/05/00/92/1081050092.db2.gz CNHZLOCBUIBLIE-HOTGVXAUSA-N -1 3 373.453 2.919 20 30 FFEDHM COC(=O)c1cc(C)nc2nc(SCc3ccc(C#N)cc3)[n-]c(=O)c21 ZINC000109208806 206049739 /nfs/dbraw/zinc/04/97/39/206049739.db2.gz FAGJBNMNOQJNPY-UHFFFAOYSA-N -1 3 366.402 2.577 20 30 FFEDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000152926065 251081096 /nfs/dbraw/zinc/08/10/96/251081096.db2.gz YSMCAHGJJAPXGG-UHFFFAOYSA-N -1 3 368.393 2.960 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H]2CCO[C@@H]21 ZINC000153357842 251129191 /nfs/dbraw/zinc/12/91/91/251129191.db2.gz ITAWLXYASYSYCB-GDLCADMTSA-N -1 3 374.384 2.669 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000175501769 251219279 /nfs/dbraw/zinc/21/92/79/251219279.db2.gz XDGVRHFKOQMCSM-SJORKVTESA-N -1 3 359.495 2.683 20 30 FFEDHM CO[C@H](C)c1nc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000267716118 251358452 /nfs/dbraw/zinc/35/84/52/251358452.db2.gz KGPBUVJDOUMGQV-GFCCVEGCSA-N -1 3 374.466 2.689 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000370897092 512122926 /nfs/dbraw/zinc/12/29/26/512122926.db2.gz FJETYUWFGBGFST-IBGZPJMESA-N -1 3 365.433 2.639 20 30 FFEDHM N#Cc1cccc(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000277541895 256209201 /nfs/dbraw/zinc/20/92/01/256209201.db2.gz ZRNSTDIBEIHXEC-SFHVURJKSA-N -1 3 356.447 2.913 20 30 FFEDHM CCOC(=O)c1nnc(C2CCN(c3ncc(Cl)c(C)c3C#N)CC2)[n-]1 ZINC000277763865 256236548 /nfs/dbraw/zinc/23/65/48/256236548.db2.gz DBWZUIHLUIJMPJ-UHFFFAOYSA-N -1 3 374.832 2.594 20 30 FFEDHM CCOC(=O)c1nc(C2CCN(c3ncc(Cl)c(C)c3C#N)CC2)n[n-]1 ZINC000277763865 256236549 /nfs/dbraw/zinc/23/65/49/256236549.db2.gz DBWZUIHLUIJMPJ-UHFFFAOYSA-N -1 3 374.832 2.594 20 30 FFEDHM CCOC(=O)c1n[n-]c(C2CCN(c3ncc(Cl)c(C)c3C#N)CC2)n1 ZINC000277763865 256236550 /nfs/dbraw/zinc/23/65/50/256236550.db2.gz DBWZUIHLUIJMPJ-UHFFFAOYSA-N -1 3 374.832 2.594 20 30 FFEDHM CCOC(=O)c1nnc(C2CCN(Cc3ccc(Cl)cc3C#N)CC2)[n-]1 ZINC000277917921 256255206 /nfs/dbraw/zinc/25/52/06/256255206.db2.gz XTGOWYHXPURJPR-UHFFFAOYSA-N -1 3 373.844 2.886 20 30 FFEDHM CCOC(=O)c1nc(C2CCN(Cc3ccc(Cl)cc3C#N)CC2)n[n-]1 ZINC000277917921 256255207 /nfs/dbraw/zinc/25/52/07/256255207.db2.gz XTGOWYHXPURJPR-UHFFFAOYSA-N -1 3 373.844 2.886 20 30 FFEDHM CCOC(=O)c1n[n-]c(C2CCN(Cc3ccc(Cl)cc3C#N)CC2)n1 ZINC000277917921 256255208 /nfs/dbraw/zinc/25/52/08/256255208.db2.gz XTGOWYHXPURJPR-UHFFFAOYSA-N -1 3 373.844 2.886 20 30 FFEDHM C[C@]1(C[C@H]2CCCN2c2ccc(C(F)(F)F)c(C#N)c2)NC(=O)[N-]C1=O ZINC000286293013 257029834 /nfs/dbraw/zinc/02/98/34/257029834.db2.gz HTCZHGCYMDQWHZ-MLGOLLRUSA-N -1 3 366.343 2.534 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)nc1NCCNC(=O)c1ccc([O-])cc1 ZINC000301278786 258039374 /nfs/dbraw/zinc/03/93/74/258039374.db2.gz JJPVODHYEVFJMI-UHFFFAOYSA-N -1 3 350.300 2.520 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594720618 520111290 /nfs/dbraw/zinc/11/12/90/520111290.db2.gz LULWYQNFLQWHNF-GFCCVEGCSA-N -1 3 363.252 2.946 20 30 FFEDHM N#Cc1ccnc(N2CCN(C(=O)c3cc4c(cc3[O-])CCCC4)CC2)c1 ZINC000065617424 506334421 /nfs/dbraw/zinc/33/44/21/506334421.db2.gz NMXSGMAWBFZMIZ-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM N#CCCCOc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000065815709 506371139 /nfs/dbraw/zinc/37/11/39/506371139.db2.gz QTPUEAJOEIJJKI-UHFFFAOYSA-N -1 3 364.361 2.897 20 30 FFEDHM N#CC(=C([O-])c1ccc(Cn2cccn2)cc1)c1nnc2n1CCCCC2 ZINC000041507239 506525724 /nfs/dbraw/zinc/52/57/24/506525724.db2.gz BIHLWCMNGNVJAH-QGZVFWFLSA-N -1 3 360.421 2.739 20 30 FFEDHM N#C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C1CCCCC1 ZINC000044243178 506821662 /nfs/dbraw/zinc/82/16/62/506821662.db2.gz VDENWETWAYTKLQ-ZDUSSCGKSA-N -1 3 358.261 2.595 20 30 FFEDHM COCCOc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2ccccn2)cc1OC ZINC000049457286 507620781 /nfs/dbraw/zinc/62/07/81/507620781.db2.gz HRFPFWSRDJMFKP-CYBMUJFWSA-N -1 3 371.349 2.514 20 30 FFEDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000063442772 507729960 /nfs/dbraw/zinc/72/99/60/507729960.db2.gz QEHWFYGBSBLJPU-UHFFFAOYSA-N -1 3 360.435 2.969 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000091056498 507948008 /nfs/dbraw/zinc/94/80/08/507948008.db2.gz LFIYRUARHKZAPU-HNNXBMFYSA-N -1 3 352.362 2.502 20 30 FFEDHM C=CCOc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000073862138 507961888 /nfs/dbraw/zinc/96/18/88/507961888.db2.gz HWVFQGQIECOTAE-UHFFFAOYSA-N -1 3 366.417 2.555 20 30 FFEDHM Cc1nc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2o1 ZINC000073953094 507970803 /nfs/dbraw/zinc/97/08/03/507970803.db2.gz GNULTXRESJGWHA-UHFFFAOYSA-N -1 3 350.378 2.884 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC(O)(c3ccccc3)CC2)s1 ZINC000367192498 512377722 /nfs/dbraw/zinc/37/77/22/512377722.db2.gz BDDVEUGVOLFQHA-UHFFFAOYSA-N -1 3 362.476 2.728 20 30 FFEDHM C[C@H](c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)N1CCOCC1 ZINC000111994963 508142637 /nfs/dbraw/zinc/14/26/37/508142637.db2.gz ZYUKJVZRNOIJMQ-OAHLLOKOSA-N -1 3 371.462 2.752 20 30 FFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)c1cccnc1 ZINC000115227472 508376783 /nfs/dbraw/zinc/37/67/83/508376783.db2.gz FKGWSHDNGFNJKG-HNNXBMFYSA-N -1 3 352.438 2.801 20 30 FFEDHM COc1cc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C ZINC000077961088 508395072 /nfs/dbraw/zinc/39/50/72/508395072.db2.gz WUHRLTPBWOIFRE-UHFFFAOYSA-N -1 3 354.406 2.856 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000127835768 508508089 /nfs/dbraw/zinc/50/80/89/508508089.db2.gz NWSNCVCVPPUKFU-DOMZBBRYSA-N -1 3 356.875 2.821 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)CC#N ZINC000116585188 508534842 /nfs/dbraw/zinc/53/48/42/508534842.db2.gz QVBWQLCLUXAQFB-UHFFFAOYSA-N -1 3 361.398 2.531 20 30 FFEDHM COc1ccc([C@H](C#N)N2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000122638218 508565591 /nfs/dbraw/zinc/56/55/91/508565591.db2.gz KMTYVEUUTYULPU-IBGZPJMESA-N -1 3 365.433 2.732 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000116850279 508568210 /nfs/dbraw/zinc/56/82/10/508568210.db2.gz RTEDOEWDCMBLGV-ZDUSSCGKSA-N -1 3 372.469 2.559 20 30 FFEDHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1ccccc1C#N ZINC000117115366 508580118 /nfs/dbraw/zinc/58/01/18/508580118.db2.gz CEQIZKROPBPRJB-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 ZINC000157824295 508618314 /nfs/dbraw/zinc/61/83/14/508618314.db2.gz VGHKMZLZJZIRCV-SNVBAGLBSA-N -1 3 365.436 2.746 20 30 FFEDHM CC[C@@H](c1ccncc1)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000128665267 508625291 /nfs/dbraw/zinc/62/52/91/508625291.db2.gz IVINVZRCYXFGSJ-SFHVURJKSA-N -1 3 352.438 2.801 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c(C(F)(F)F)c1 ZINC000129161491 508691983 /nfs/dbraw/zinc/69/19/83/508691983.db2.gz WMKVIGFMRDISRE-MRVWCRGKSA-N -1 3 374.384 2.813 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000124098507 508782744 /nfs/dbraw/zinc/78/27/44/508782744.db2.gz OPBIGUXKBVHKBD-OAHLLOKOSA-N -1 3 352.362 2.502 20 30 FFEDHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000124251778 508803726 /nfs/dbraw/zinc/80/37/26/508803726.db2.gz IWDOFQZRKYHQJR-ROUUACIJSA-N -1 3 373.497 2.848 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)oc1C ZINC000124435468 508831934 /nfs/dbraw/zinc/83/19/34/508831934.db2.gz PNTKPRHAPKBGOA-OAHLLOKOSA-N -1 3 362.407 2.698 20 30 FFEDHM N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000154902186 508879535 /nfs/dbraw/zinc/87/95/35/508879535.db2.gz HBDLGEBIMKMLOF-UHFFFAOYSA-N -1 3 355.369 2.828 20 30 FFEDHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151207233 508978537 /nfs/dbraw/zinc/97/85/37/508978537.db2.gz ZUPHPSGQLUJEGA-CJNGLKHVSA-N -1 3 354.447 2.817 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000120435718 508995515 /nfs/dbraw/zinc/99/55/15/508995515.db2.gz RFKYIHZJGIPPTH-UHFFFAOYSA-N -1 3 361.354 2.573 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3noc4c3CCCCC4)n2)cc1 ZINC000155561872 509026690 /nfs/dbraw/zinc/02/66/90/509026690.db2.gz XTHJHEINNSRCFM-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CCc1c(C)sc([N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)c1C#N ZINC000155581409 509031496 /nfs/dbraw/zinc/03/14/96/509031496.db2.gz UJUFANSFSCKPRS-UHFFFAOYSA-N -1 3 359.455 2.950 20 30 FFEDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2OC)on1 ZINC000185774097 509349423 /nfs/dbraw/zinc/34/94/23/509349423.db2.gz DHAXPQQUGMUHRB-UHFFFAOYSA-N -1 3 363.439 2.937 20 30 FFEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000264309487 509449649 /nfs/dbraw/zinc/44/96/49/509449649.db2.gz SMFHOZWYSOJEBA-UHFFFAOYSA-N -1 3 355.435 2.599 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(C#N)CCCCC2)c1 ZINC000179466993 509459284 /nfs/dbraw/zinc/45/92/84/509459284.db2.gz WFKOVGMGBXKWOG-UHFFFAOYSA-N -1 3 368.393 2.897 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000164076892 509460643 /nfs/dbraw/zinc/46/06/43/509460643.db2.gz FRVLOTREHUGKAZ-QGZVFWFLSA-N -1 3 366.389 2.644 20 30 FFEDHM Cn1nc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c2ccccc21 ZINC000186182025 509563900 /nfs/dbraw/zinc/56/39/00/509563900.db2.gz XVNPQMDSDMTNED-UHFFFAOYSA-N -1 3 374.853 2.619 20 30 FFEDHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183407010 509770061 /nfs/dbraw/zinc/77/00/61/509770061.db2.gz DCLPTIIGWKRJAW-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000193312412 509861008 /nfs/dbraw/zinc/86/10/08/509861008.db2.gz WCXQTTQGQRCRPL-CQSZACIVSA-N -1 3 360.435 2.914 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccc(Cl)c(C[S@](C)=O)c2)c1[O-] ZINC000265165377 509899166 /nfs/dbraw/zinc/89/91/66/509899166.db2.gz LZJZSNBQJTVEPZ-FMHHNLBNSA-N -1 3 352.843 2.870 20 30 FFEDHM COc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc(OC)c1[O-] ZINC000186912445 509946200 /nfs/dbraw/zinc/94/62/00/509946200.db2.gz BZRRZZZWKCJOPQ-HXUWFJFHSA-N -1 3 352.390 2.590 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCOc2c(F)cccc21 ZINC000190721546 510307025 /nfs/dbraw/zinc/30/70/25/510307025.db2.gz LLEYUCZOWMZKHW-AWEZNQCLSA-N -1 3 350.346 2.639 20 30 FFEDHM COc1cc(Cl)cc(CN2CCN(c3ccc(C#N)cn3)CC2)c1[O-] ZINC000184678278 510455684 /nfs/dbraw/zinc/45/56/84/510455684.db2.gz SWQWSAXRIFHKDB-UHFFFAOYSA-N -1 3 358.829 2.643 20 30 FFEDHM COc1cccc(-c2noc([C@@H](C)/N=C/c3c([O-])c(C)ncc3CO)n2)c1 ZINC000266328312 510519776 /nfs/dbraw/zinc/51/97/76/510519776.db2.gz JLRVKLGRTIBNME-PITUFAOZSA-N -1 3 368.393 2.827 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(Br)c1 ZINC000178527407 510647072 /nfs/dbraw/zinc/64/70/72/510647072.db2.gz DIENRMAHHLLRBP-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000178531351 510649435 /nfs/dbraw/zinc/64/94/35/510649435.db2.gz VGZKVWVJMBOSKP-SJLPKXTDSA-N -1 3 360.410 2.896 20 30 FFEDHM C=CCNC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000195127165 510679171 /nfs/dbraw/zinc/67/91/71/510679171.db2.gz WBCJWEPAHNQNTH-UHFFFAOYSA-N -1 3 357.366 2.837 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(F)cc1F ZINC000172589949 510808822 /nfs/dbraw/zinc/80/88/22/510808822.db2.gz ZEIQFSCHGBAYER-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM CC[C@]([N-]S(=O)(=O)CCCCC#N)(C(=O)OC)c1ccc(Cl)cc1 ZINC000285370240 510880442 /nfs/dbraw/zinc/88/04/42/510880442.db2.gz QXPWZPPBJYWTHN-MRXNPFEDSA-N -1 3 372.874 2.732 20 30 FFEDHM COc1cc(C(=O)NCCSCc2ccccc2C#N)cc(OC)c1[O-] ZINC000270618020 510926605 /nfs/dbraw/zinc/92/66/05/510926605.db2.gz JJUNRLHPEBWEDI-UHFFFAOYSA-N -1 3 372.446 2.944 20 30 FFEDHM C#CCC1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCCCC1 ZINC000276422742 510938954 /nfs/dbraw/zinc/93/89/54/510938954.db2.gz DEQJMFRIHAWQEC-UHFFFAOYSA-N -1 3 354.450 2.650 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000285760548 511013475 /nfs/dbraw/zinc/01/34/75/511013475.db2.gz KLDPOCJIEFXJPI-SFHVURJKSA-N -1 3 361.445 2.959 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cccc(O)c3[O-])CC2)c(F)c1 ZINC000286682660 511029897 /nfs/dbraw/zinc/02/98/97/511029897.db2.gz NHFOLTRXBBIKKZ-UHFFFAOYSA-N -1 3 356.353 2.792 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000294349253 511034488 /nfs/dbraw/zinc/03/44/88/511034488.db2.gz VIPQCGITCMXWIB-LJQANCHMSA-N -1 3 369.465 2.626 20 30 FFEDHM C=CCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C1CC1 ZINC000271432743 511202431 /nfs/dbraw/zinc/20/24/31/511202431.db2.gz NDQKVUQODNKCMR-UHFFFAOYSA-N -1 3 353.444 2.639 20 30 FFEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccccc1 ZINC000295234998 511330740 /nfs/dbraw/zinc/33/07/40/511330740.db2.gz OSOXXFWOIZNZMD-MSOLQXFVSA-N -1 3 360.410 2.647 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000272051087 511413895 /nfs/dbraw/zinc/41/38/95/511413895.db2.gz NFGCQBHPAVJVCZ-GXFFZTMASA-N -1 3 362.373 2.813 20 30 FFEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(=O)NC1CC(F)(F)C1 ZINC000298832617 511424059 /nfs/dbraw/zinc/42/40/59/511424059.db2.gz HHVIAJJMCDEMTM-SNVBAGLBSA-N -1 3 372.240 2.598 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(N3CCCCC3=O)cc2)c1[O-] ZINC000299169172 511538075 /nfs/dbraw/zinc/53/80/75/511538075.db2.gz QUYTXPIZVKRRSE-CIAFOILYSA-N -1 3 353.422 2.724 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(N(C)C)nc2)no1 ZINC000273797143 511611293 /nfs/dbraw/zinc/61/12/93/511611293.db2.gz UGHONCWBDCRMSM-UHFFFAOYSA-N -1 3 364.409 2.572 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000316124171 511802968 /nfs/dbraw/zinc/80/29/68/511802968.db2.gz RMHBBPQEAJEEGC-VIFPVBQESA-N -1 3 368.680 2.708 20 30 FFEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000327175721 511870306 /nfs/dbraw/zinc/87/03/06/511870306.db2.gz WXCSMTXMOUIGSU-BBRMVZONSA-N -1 3 366.483 2.734 20 30 FFEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000274767285 511935578 /nfs/dbraw/zinc/93/55/78/511935578.db2.gz ZJSCSJVMUGVILU-UHFFFAOYSA-N -1 3 359.329 2.606 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000293555559 512007241 /nfs/dbraw/zinc/00/72/41/512007241.db2.gz VPWFDCRVIGTNKK-GFCCVEGCSA-N -1 3 351.428 2.692 20 30 FFEDHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000329410841 512042230 /nfs/dbraw/zinc/04/22/30/512042230.db2.gz DCBPJRDIRIJKKP-MRXNPFEDSA-N -1 3 370.453 2.531 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-][C@](C)(C#N)CSC)c(Cl)c1Cl ZINC000285235770 512048517 /nfs/dbraw/zinc/04/85/17/512048517.db2.gz YYOGZDUZHWBPGR-GFCCVEGCSA-N -1 3 369.295 2.926 20 30 FFEDHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)cn1 ZINC000329623865 512078741 /nfs/dbraw/zinc/07/87/41/512078741.db2.gz NZHJAFUGDBIBTN-CQSZACIVSA-N -1 3 351.472 2.797 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000377862695 512487776 /nfs/dbraw/zinc/48/77/76/512487776.db2.gz ZRJIGSOQBKZJRX-OLMNPRSZSA-N -1 3 357.454 2.528 20 30 FFEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(=O)N1CCC(F)(F)C1 ZINC000411351909 512593600 /nfs/dbraw/zinc/59/36/00/512593600.db2.gz LCHQBYSZCOMVHB-SNVBAGLBSA-N -1 3 372.240 2.552 20 30 FFEDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000376359077 512784926 /nfs/dbraw/zinc/78/49/26/512784926.db2.gz MAOPHLYYKMQIQN-LRDDRELGSA-N -1 3 365.480 2.574 20 30 FFEDHM N#CCOc1ccc(CC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000368540379 512993252 /nfs/dbraw/zinc/99/32/52/512993252.db2.gz VCTYPFCHJNHZKN-UHFFFAOYSA-N -1 3 369.331 2.833 20 30 FFEDHM N#CCOc1ccc(CC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000368540379 512993257 /nfs/dbraw/zinc/99/32/57/512993257.db2.gz VCTYPFCHJNHZKN-UHFFFAOYSA-N -1 3 369.331 2.833 20 30 FFEDHM N#CCOc1ccc(CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000368540379 512993262 /nfs/dbraw/zinc/99/32/62/512993262.db2.gz VCTYPFCHJNHZKN-UHFFFAOYSA-N -1 3 369.331 2.833 20 30 FFEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)n1 ZINC000368858377 513123242 /nfs/dbraw/zinc/12/32/42/513123242.db2.gz GAUCKSSURONZHH-UHFFFAOYSA-N -1 3 360.373 2.635 20 30 FFEDHM CN(C)c1nc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)cc(=O)[n-]1 ZINC000434111717 513240955 /nfs/dbraw/zinc/24/09/55/513240955.db2.gz OVCAWTMYGCIHHJ-NSHDSACASA-N -1 3 366.208 2.550 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(C)c1C(F)(F)F ZINC000446364535 513246247 /nfs/dbraw/zinc/24/62/47/513246247.db2.gz SLXNECLJHXSYIU-UHFFFAOYSA-N -1 3 367.331 2.599 20 30 FFEDHM Cn1c(C(C#N)=C([O-])c2cnnn2-c2cccc(F)c2)nc2ccccc21 ZINC000434617027 513369394 /nfs/dbraw/zinc/36/93/94/513369394.db2.gz KFWZQUOMVVAZPU-CQSZACIVSA-N -1 3 360.352 2.783 20 30 FFEDHM C=CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1cnccn1 ZINC000412996537 513385364 /nfs/dbraw/zinc/38/53/64/513385364.db2.gz FKPYWSLZVTVYKF-UHFFFAOYSA-N -1 3 367.438 2.586 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)nn1 ZINC000415730632 513401449 /nfs/dbraw/zinc/40/14/49/513401449.db2.gz DPXNYCOSZHRHMK-WDEREUQCSA-N -1 3 359.455 2.796 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000447682937 513541894 /nfs/dbraw/zinc/54/18/94/513541894.db2.gz LLNAYOSBUGSWIZ-CYBMUJFWSA-N -1 3 356.426 2.867 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000447682937 513541899 /nfs/dbraw/zinc/54/18/99/513541899.db2.gz LLNAYOSBUGSWIZ-CYBMUJFWSA-N -1 3 356.426 2.867 20 30 FFEDHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435421815 513578830 /nfs/dbraw/zinc/57/88/30/513578830.db2.gz JPLTXYZIDORROH-LBPRGKRZSA-N -1 3 350.465 2.928 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)s1 ZINC000435426054 513580967 /nfs/dbraw/zinc/58/09/67/513580967.db2.gz GGPUYGZJKWKPIF-AWEZNQCLSA-N -1 3 350.490 2.929 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)s1 ZINC000435429004 513582945 /nfs/dbraw/zinc/58/29/45/513582945.db2.gz ULYGLGMVYCMBAL-CYBMUJFWSA-N -1 3 352.412 2.951 20 30 FFEDHM C[C@@H]1C[C@@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435433469 513584274 /nfs/dbraw/zinc/58/42/74/513584274.db2.gz SDVUXIFNTTZQQF-CHWSQXEVSA-N -1 3 355.529 2.655 20 30 FFEDHM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435437965 513588051 /nfs/dbraw/zinc/58/80/51/513588051.db2.gz MHCUAIXHPNGJJO-UHFFFAOYSA-N -1 3 374.390 2.708 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000416528890 513818801 /nfs/dbraw/zinc/81/88/01/513818801.db2.gz INHKBICGPUBPBE-LBPRGKRZSA-N -1 3 374.890 2.972 20 30 FFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1Cl ZINC000431175083 513845105 /nfs/dbraw/zinc/84/51/05/513845105.db2.gz KESKGVDDOZXRRE-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM C=CCN1CC[C@@H](N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1=O ZINC000436483992 513869244 /nfs/dbraw/zinc/86/92/44/513869244.db2.gz CXDMIYDGDRGGEY-LJQANCHMSA-N -1 3 364.445 2.842 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCCC[C@@H]1C ZINC000443101383 513872865 /nfs/dbraw/zinc/87/28/65/513872865.db2.gz CORKOZCRLGBSEB-QWHCGFSZSA-N -1 3 355.891 2.753 20 30 FFEDHM Cn1cc(CNc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1C#N ZINC000419706937 513890377 /nfs/dbraw/zinc/89/03/77/513890377.db2.gz DEWKVTDKWMJDPZ-UHFFFAOYSA-N -1 3 364.446 2.725 20 30 FFEDHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000451818268 514001629 /nfs/dbraw/zinc/00/16/29/514001629.db2.gz OQGIYBWPZCIHBQ-ZFWWWQNUSA-N -1 3 356.875 2.941 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1noc(Cc2ccccc2)n1 ZINC000431926101 514041815 /nfs/dbraw/zinc/04/18/15/514041815.db2.gz OMKSDKNSKYJHAP-ZDUSSCGKSA-N -1 3 368.418 2.572 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)OCC ZINC000451980872 514109160 /nfs/dbraw/zinc/10/91/60/514109160.db2.gz AKJCLOVLAQJKBE-GFCCVEGCSA-N -1 3 361.847 2.525 20 30 FFEDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427121590 514122205 /nfs/dbraw/zinc/12/22/05/514122205.db2.gz JSQBIOBXTBHFDI-UHFFFAOYSA-N -1 3 351.334 2.596 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cnc1C ZINC000427234048 514156838 /nfs/dbraw/zinc/15/68/38/514156838.db2.gz IWBKKTDIVTZZQJ-UHFFFAOYSA-N -1 3 365.798 2.503 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420750783 514276412 /nfs/dbraw/zinc/27/64/12/514276412.db2.gz NVXXHSZUHPVEGJ-JTQLQIEISA-N -1 3 355.790 2.547 20 30 FFEDHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)nn1 ZINC000420767802 514286011 /nfs/dbraw/zinc/28/60/11/514286011.db2.gz VROBHWGRZSYMQV-UHFFFAOYSA-N -1 3 367.862 2.598 20 30 FFEDHM Cc1c([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc(Br)c1C#N ZINC000424066109 514364756 /nfs/dbraw/zinc/36/47/56/514364756.db2.gz MZYPDDGBTAXHAS-NSHDSACASA-N -1 3 373.272 2.940 20 30 FFEDHM N#Cc1ccc(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])c(F)c1 ZINC000417582643 514420378 /nfs/dbraw/zinc/42/03/78/514420378.db2.gz VMHBYGHPZQWJPD-SFHVURJKSA-N -1 3 353.397 2.693 20 30 FFEDHM CC(C)(C)c1ccc(OCC[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428261634 514435411 /nfs/dbraw/zinc/43/54/11/514435411.db2.gz VDPFWTKYQJNGPY-UHFFFAOYSA-N -1 3 359.451 2.608 20 30 FFEDHM Cc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)c(OC(C)(C)C)c1 ZINC000428396351 514465444 /nfs/dbraw/zinc/46/54/44/514465444.db2.gz CWHSLDMOQOUWEK-UHFFFAOYSA-N -1 3 359.451 2.918 20 30 FFEDHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428413008 514469668 /nfs/dbraw/zinc/46/96/68/514469668.db2.gz JYMWIYKJFTYGEH-LPHOPBHVSA-N -1 3 371.462 2.708 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc2nn[n-]c21 ZINC000433367422 514473618 /nfs/dbraw/zinc/47/36/18/514473618.db2.gz QNGJVYWTDZANNJ-UHFFFAOYSA-N -1 3 362.286 2.897 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc2[n-]nnc21 ZINC000433367422 514473620 /nfs/dbraw/zinc/47/36/20/514473620.db2.gz QNGJVYWTDZANNJ-UHFFFAOYSA-N -1 3 362.286 2.897 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc2n[n-]nc21 ZINC000433367422 514473621 /nfs/dbraw/zinc/47/36/21/514473621.db2.gz QNGJVYWTDZANNJ-UHFFFAOYSA-N -1 3 362.286 2.897 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000508083454 514659695 /nfs/dbraw/zinc/65/96/95/514659695.db2.gz KIALDEVGPRWLHX-LBPRGKRZSA-N -1 3 370.780 2.956 20 30 FFEDHM C=CCCCS(=O)(=O)[N-]C1(c2noc(CN(CC)CC)n2)CCCC1 ZINC000489119127 514718392 /nfs/dbraw/zinc/71/83/92/514718392.db2.gz WISDHLGENSXRQG-UHFFFAOYSA-N -1 3 370.519 2.566 20 30 FFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CSc1ccc(C#N)cc1 ZINC000484755654 514783838 /nfs/dbraw/zinc/78/38/38/514783838.db2.gz MGAGJDSIGDYOND-UHFFFAOYSA-N -1 3 361.448 2.661 20 30 FFEDHM C=CCOc1cccnc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000484872642 514823558 /nfs/dbraw/zinc/82/35/58/514823558.db2.gz IPQZNGVZVYWLQB-UHFFFAOYSA-N -1 3 369.812 2.770 20 30 FFEDHM C=CCN(CC=C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471571530 514932970 /nfs/dbraw/zinc/93/29/70/514932970.db2.gz SSHKWHJPJYRSKV-UHFFFAOYSA-N -1 3 362.373 2.891 20 30 FFEDHM N#CCC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489829965 514991833 /nfs/dbraw/zinc/99/18/33/514991833.db2.gz LLJFPKFGLSTLJE-UHFFFAOYSA-N -1 3 352.309 2.696 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1c(C)noc1C ZINC000480697513 515048417 /nfs/dbraw/zinc/04/84/17/515048417.db2.gz LFQJPKJTMWONGU-HNNXBMFYSA-N -1 3 351.403 2.873 20 30 FFEDHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000476521215 515085079 /nfs/dbraw/zinc/08/50/79/515085079.db2.gz HFTMGLQHNVQUAK-GFCCVEGCSA-N -1 3 356.875 2.679 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1(CO)CCC1 ZINC000490140522 515120409 /nfs/dbraw/zinc/12/04/09/515120409.db2.gz WDLYJTGBBWQECE-OAHLLOKOSA-N -1 3 356.875 2.677 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000490197459 515135726 /nfs/dbraw/zinc/13/57/26/515135726.db2.gz OASQTPZQACNIRA-UHFFFAOYSA-N -1 3 366.414 2.661 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000503843680 515151915 /nfs/dbraw/zinc/15/19/15/515151915.db2.gz GUMMLDLWFVXVET-AWEZNQCLSA-N -1 3 371.245 2.877 20 30 FFEDHM C=CCC1(CNC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000456490522 515217285 /nfs/dbraw/zinc/21/72/85/515217285.db2.gz XCJWLJUCTULHEG-IBGZPJMESA-N -1 3 355.438 2.608 20 30 FFEDHM C=CCC[C@@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(=O)OCC ZINC000456626128 515295937 /nfs/dbraw/zinc/29/59/37/515295937.db2.gz KUKJSXZMWMQXIV-OAHLLOKOSA-N -1 3 360.385 2.603 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)[n-]c21 ZINC000494122088 515739976 /nfs/dbraw/zinc/73/99/76/515739976.db2.gz YAYZGRKERFIWER-NSHDSACASA-N -1 3 364.361 2.627 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)nc21 ZINC000494122088 515739978 /nfs/dbraw/zinc/73/99/78/515739978.db2.gz YAYZGRKERFIWER-NSHDSACASA-N -1 3 364.361 2.627 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccc(C)o1 ZINC000464202928 515740377 /nfs/dbraw/zinc/74/03/77/515740377.db2.gz FHPDMVNHRKCDFD-CQSZACIVSA-N -1 3 364.423 2.524 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1c(F)cncc1F ZINC000511024529 515746925 /nfs/dbraw/zinc/74/69/25/515746925.db2.gz BQCQQAQIWOAPQA-MRVPVSSYSA-N -1 3 357.769 2.924 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1c(F)cncc1F ZINC000511030875 515751355 /nfs/dbraw/zinc/75/13/55/515751355.db2.gz NPHGSXWAGJDXCA-MRVPVSSYSA-N -1 3 357.769 2.924 20 30 FFEDHM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464467175 515836377 /nfs/dbraw/zinc/83/63/77/515836377.db2.gz KABRELPJKBDPRZ-ZDUSSCGKSA-N -1 3 358.283 2.566 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000528452429 516447976 /nfs/dbraw/zinc/44/79/76/516447976.db2.gz WLQYSOACHVDROX-LLVKDONJSA-N -1 3 362.373 2.672 20 30 FFEDHM CCC(C#N)(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000528645159 516587011 /nfs/dbraw/zinc/58/70/11/516587011.db2.gz YRURBRQXSZOOTG-UHFFFAOYSA-N -1 3 353.419 2.535 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000554709470 516599239 /nfs/dbraw/zinc/59/92/39/516599239.db2.gz AJCVQJXCQMIFLY-CYBMUJFWSA-N -1 3 366.801 2.633 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)c(Cl)c1 ZINC000554709471 516600043 /nfs/dbraw/zinc/60/00/43/516600043.db2.gz AJCVQJXCQMIFLY-ZDUSSCGKSA-N -1 3 366.801 2.633 20 30 FFEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)CCCC2 ZINC000547865006 516607590 /nfs/dbraw/zinc/60/75/90/516607590.db2.gz HFPWYWPTJVIVPG-UHFFFAOYSA-N -1 3 366.333 2.721 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)s1 ZINC000561557513 516650249 /nfs/dbraw/zinc/65/02/49/516650249.db2.gz FMLJLYKDZSDFLR-ZDUSSCGKSA-N -1 3 356.856 2.675 20 30 FFEDHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(F)c1 ZINC000548042664 516723187 /nfs/dbraw/zinc/72/31/87/516723187.db2.gz FUTMRCCVPWZZNH-UHFFFAOYSA-N -1 3 354.309 2.979 20 30 FFEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)cc(Br)c1OC ZINC000551511619 516737791 /nfs/dbraw/zinc/73/77/91/516737791.db2.gz WLUGQISGDLBRCF-JTQLQIEISA-N -1 3 362.183 2.746 20 30 FFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000519488457 517013730 /nfs/dbraw/zinc/01/37/30/517013730.db2.gz LMQDFYIBQGZEBK-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000525699211 517123692 /nfs/dbraw/zinc/12/36/92/517123692.db2.gz OIAMQHRFXFORCS-JTQLQIEISA-N -1 3 352.362 2.885 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1noc(-c2ccccc2)n1 ZINC000545364449 517199539 /nfs/dbraw/zinc/19/95/39/517199539.db2.gz WBSILAUPTDTIEY-ZDUSSCGKSA-N -1 3 360.439 2.801 20 30 FFEDHM N#C[C@]1([N-]S(=O)(=O)Cc2ccc(F)cc2F)CCc2ccccc2C1 ZINC000546020382 517493609 /nfs/dbraw/zinc/49/36/09/517493609.db2.gz JGLKOCXTBUOWBV-SFHVURJKSA-N -1 3 362.401 2.835 20 30 FFEDHM COc1ccc([O-])c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000530062015 517532888 /nfs/dbraw/zinc/53/28/88/517532888.db2.gz LBNZSDQMUKJXLH-UHFFFAOYSA-N -1 3 352.390 2.708 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(F)(F)F ZINC000553525064 517761348 /nfs/dbraw/zinc/76/13/48/517761348.db2.gz UWAQDRHEROKISY-SSDOTTSWSA-N -1 3 371.178 2.797 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCSCC(F)(F)F ZINC000538802905 517785533 /nfs/dbraw/zinc/78/55/33/517785533.db2.gz ZPVANBGPZSPRMV-UHFFFAOYSA-N -1 3 361.389 2.620 20 30 FFEDHM N#CCc1ccc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cc1 ZINC000543116105 517917447 /nfs/dbraw/zinc/91/74/47/517917447.db2.gz BDEUBVLKCHLLGU-UHFFFAOYSA-N -1 3 358.467 2.967 20 30 FFEDHM N#CCc1ccc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cc1 ZINC000543116105 517917459 /nfs/dbraw/zinc/91/74/59/517917459.db2.gz BDEUBVLKCHLLGU-UHFFFAOYSA-N -1 3 358.467 2.967 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c(F)c1 ZINC000553908540 517964826 /nfs/dbraw/zinc/96/48/26/517964826.db2.gz RCWUUVBRTYMSRY-HNNXBMFYSA-N -1 3 368.817 2.753 20 30 FFEDHM N#CCCCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000543387431 518062580 /nfs/dbraw/zinc/06/25/80/518062580.db2.gz DNFCFCJUKHDFGQ-UHFFFAOYSA-N -1 3 369.512 2.783 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(c3ccccc3)C2)c(F)c1 ZINC000563846330 518147777 /nfs/dbraw/zinc/14/77/77/518147777.db2.gz WAOSQNMHLNVPBD-INIZCTEOSA-N -1 3 373.453 2.892 20 30 FFEDHM N#CC1(CSc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)CC1 ZINC000539757061 518155108 /nfs/dbraw/zinc/15/51/08/518155108.db2.gz OUXRODVOXYKPNR-UHFFFAOYSA-N -1 3 355.423 2.500 20 30 FFEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccsc1 ZINC000578460631 518220821 /nfs/dbraw/zinc/22/08/21/518220821.db2.gz UYJULJRIKYYMEC-CQSZACIVSA-N -1 3 353.469 2.574 20 30 FFEDHM C[C@@]1(c2cccc(-c3noc(-c4cccc(CC#N)c4)n3)c2)NC(=O)[N-]C1=O ZINC000578565815 518268253 /nfs/dbraw/zinc/26/82/53/518268253.db2.gz NUVRDTXHGLZSEV-FQEVSTJZSA-N -1 3 373.372 2.524 20 30 FFEDHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000572745118 518341080 /nfs/dbraw/zinc/34/10/80/518341080.db2.gz GQKIMSHMRAACEV-INIZCTEOSA-N -1 3 366.483 2.736 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)c(F)c1 ZINC000578821059 518388056 /nfs/dbraw/zinc/38/80/56/518388056.db2.gz ZSXJZIOBNNRQJH-UHFFFAOYSA-N -1 3 366.801 2.764 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000588115802 518729017 /nfs/dbraw/zinc/72/90/17/518729017.db2.gz WEHPEYSVWJFAQV-CYBMUJFWSA-N -1 3 374.340 2.836 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccnc(OC(F)F)c1 ZINC000567926725 518786804 /nfs/dbraw/zinc/78/68/04/518786804.db2.gz QIEINXLKSSWFAN-UHFFFAOYSA-N -1 3 373.768 2.687 20 30 FFEDHM COC(=O)C(C)(C)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000589224838 518956809 /nfs/dbraw/zinc/95/68/09/518956809.db2.gz GHVZGIILHXLVPQ-HNNXBMFYSA-N -1 3 364.467 2.540 20 30 FFEDHM N#CCSCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000574074018 518976392 /nfs/dbraw/zinc/97/63/92/518976392.db2.gz WSFYNEGGLAIGPY-UHFFFAOYSA-N -1 3 369.219 2.595 20 30 FFEDHM N#Cc1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1Br ZINC000565816053 519146263 /nfs/dbraw/zinc/14/62/63/519146263.db2.gz GPEVCUKBBKBGOW-LBPRGKRZSA-N -1 3 361.199 2.570 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)s1 ZINC000571652193 519203164 /nfs/dbraw/zinc/20/31/64/519203164.db2.gz CDEVQZCVXCOZCH-UHFFFAOYSA-N -1 3 362.354 2.839 20 30 FFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1c[n-]c2ccncc2c1=O ZINC000580535666 519226945 /nfs/dbraw/zinc/22/69/45/519226945.db2.gz SCAADGKOFPBZQU-UHFFFAOYSA-N -1 3 371.318 2.723 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccnc(OC(F)F)c1 ZINC000583445686 519252610 /nfs/dbraw/zinc/25/26/10/519252610.db2.gz XCWHJIVJUXUHLT-UHFFFAOYSA-N -1 3 373.768 2.687 20 30 FFEDHM NCC(F)(F)CC(=O)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000568876979 519263664 /nfs/dbraw/zinc/26/36/64/519263664.db2.gz ZZRJJZCJKBINBT-SNVBAGLBSA-N -1 3 362.245 2.992 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000577865032 519297948 /nfs/dbraw/zinc/29/79/48/519297948.db2.gz CQZNEOCUGFQDRD-LBPRGKRZSA-N -1 3 362.455 2.614 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000575129278 519516293 /nfs/dbraw/zinc/51/62/93/519516293.db2.gz ITPSJZWDSQUDGT-UHFFFAOYSA-N -1 3 357.320 2.962 20 30 FFEDHM CCCCOc1ccc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c([O-])c1 ZINC000616169528 519929687 /nfs/dbraw/zinc/92/96/87/519929687.db2.gz FMDIHUZSRGEZIH-GOSISDBHSA-N -1 3 359.470 2.877 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 ZINC000594475680 519985398 /nfs/dbraw/zinc/98/53/98/519985398.db2.gz XJULWALULYFVKM-GOEBONIOSA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594485157 519994951 /nfs/dbraw/zinc/99/49/51/519994951.db2.gz XOOOBCVVYHCKMS-LSDHHAIUSA-N -1 3 353.875 2.507 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594486843 519997272 /nfs/dbraw/zinc/99/72/72/519997272.db2.gz JQOBMVFNUHLOHV-GXTWGEPZSA-N -1 3 362.373 2.645 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000600189426 520110508 /nfs/dbraw/zinc/11/05/08/520110508.db2.gz PRRQPBSNJCVVGJ-QWRGUYRKSA-N -1 3 351.397 2.958 20 30 FFEDHM N#C[C@@]1([N-]S(=O)(=O)CCc2ccccc2F)CCc2ccccc2C1 ZINC000594723089 520113895 /nfs/dbraw/zinc/11/38/95/520113895.db2.gz LFVGUTXINZLZSM-LJQANCHMSA-N -1 3 358.438 2.739 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@]1(C)CCO[C@H]1C ZINC000594773346 520148769 /nfs/dbraw/zinc/14/87/69/520148769.db2.gz RBSQZAQOHJVHKA-MEDUHNTESA-N -1 3 350.465 2.927 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)CC(F)F ZINC000592067690 520163442 /nfs/dbraw/zinc/16/34/42/520163442.db2.gz SSVWVKFWGLCDPT-QMMMGPOBSA-N -1 3 367.215 2.890 20 30 FFEDHM COCC1(S(=O)(=O)[N-]c2ccc(Br)c(C#N)c2C)CC1 ZINC000603416549 520255328 /nfs/dbraw/zinc/25/53/28/520255328.db2.gz HUZUBENHNCPATK-UHFFFAOYSA-N -1 3 359.245 2.550 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000617039470 520298285 /nfs/dbraw/zinc/29/82/85/520298285.db2.gz HSCAFAXEAIAMTK-AUJRIZCKSA-N -1 3 355.438 2.606 20 30 FFEDHM CC(C)(C)OC(=O)COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000595243144 520368630 /nfs/dbraw/zinc/36/86/30/520368630.db2.gz CDVWQPAMTHECLW-HNNXBMFYSA-N -1 3 353.378 2.687 20 30 FFEDHM C[C@@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000595391638 520444607 /nfs/dbraw/zinc/44/46/07/520444607.db2.gz OEKDQDJAHNPUQI-RDJZCZTQSA-N -1 3 350.484 2.544 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F ZINC000595418354 520457732 /nfs/dbraw/zinc/45/77/32/520457732.db2.gz OSQXKYMLUQQBOP-UHFFFAOYSA-N -1 3 350.362 2.824 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC(F)(F)F ZINC000595419075 520458056 /nfs/dbraw/zinc/45/80/56/520458056.db2.gz XATLXBYPLAIKTP-UHFFFAOYSA-N -1 3 365.333 2.723 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000610085538 520533982 /nfs/dbraw/zinc/53/39/82/520533982.db2.gz WAPQYIYWWHTCHA-KRWDZBQOSA-N -1 3 373.453 2.640 20 30 FFEDHM Cc1nc([N-]C(=O)[C@@H](C)Oc2ccc(C)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000610109901 520543091 /nfs/dbraw/zinc/54/30/91/520543091.db2.gz IDPKRSOUXFBFFT-CQSZACIVSA-N -1 3 361.405 2.584 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N1CCC(CCC#N)CC1)c2=O ZINC000592819635 520600849 /nfs/dbraw/zinc/60/08/49/520600849.db2.gz WSXXGMLXTWORFM-UHFFFAOYSA-N -1 3 357.385 2.832 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)c(C#N)c1C ZINC000604560558 520605072 /nfs/dbraw/zinc/60/50/72/520605072.db2.gz VZUATNIBCBGNEC-UHFFFAOYSA-N -1 3 374.378 2.969 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000613949446 520738801 /nfs/dbraw/zinc/73/88/01/520738801.db2.gz IGDOEACCIWEDND-GFCCVEGCSA-N -1 3 370.764 2.902 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)c1ccco1 ZINC000601387835 520770856 /nfs/dbraw/zinc/77/08/56/520770856.db2.gz HBSPFHKTRHVFSB-AWEZNQCLSA-N -1 3 352.387 2.655 20 30 FFEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598693276 520790551 /nfs/dbraw/zinc/79/05/51/520790551.db2.gz BCZNYVVZQUYMRO-OAHLLOKOSA-N -1 3 355.360 2.717 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)cn1CC1CC1 ZINC000596044039 520875042 /nfs/dbraw/zinc/87/50/42/520875042.db2.gz NKIOIWFYISNEQU-OAHLLOKOSA-N -1 3 350.488 2.606 20 30 FFEDHM N#Cc1cnnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000596081175 520900911 /nfs/dbraw/zinc/90/09/11/520900911.db2.gz UNVISFGETSAAGB-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM CCc1ncc(C(=O)[N-]c2sc3c(c2C#N)CCN(C(C)=O)C3)s1 ZINC000598889863 520904372 /nfs/dbraw/zinc/90/43/72/520904372.db2.gz ZLHCXJVTCSYVED-UHFFFAOYSA-N -1 3 360.464 2.796 20 30 FFEDHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611021813 520949919 /nfs/dbraw/zinc/94/99/19/520949919.db2.gz IMRDJHWLYUZIFD-LRDDRELGSA-N -1 3 364.854 2.655 20 30 FFEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C#N)CC(C)C)c1 ZINC000611113628 520991755 /nfs/dbraw/zinc/99/17/55/520991755.db2.gz BTBFWDSOCICFPQ-JTQLQIEISA-N -1 3 361.261 2.674 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000601886748 521007972 /nfs/dbraw/zinc/00/79/72/521007972.db2.gz QAGUKQXEJNRTQY-IEBWSBKVSA-N -1 3 357.454 2.672 20 30 FFEDHM CCOC(=O)c1csc(=NC2CCN(Cc3cccc(C#N)c3)CC2)[n-]1 ZINC000593518326 521045427 /nfs/dbraw/zinc/04/54/27/521045427.db2.gz ZBUYEPKAOHQGME-UHFFFAOYSA-N -1 3 370.478 2.690 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)N1CCCC1 ZINC000593525589 521049897 /nfs/dbraw/zinc/04/98/97/521049897.db2.gz SVQIMGXBPUYRNW-OAHLLOKOSA-N -1 3 361.492 2.735 20 30 FFEDHM COc1ccc(COCCC[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593541561 521063326 /nfs/dbraw/zinc/06/33/26/521063326.db2.gz QKKWFGKIJAMLPJ-UHFFFAOYSA-N -1 3 366.464 2.514 20 30 FFEDHM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593566966 521081231 /nfs/dbraw/zinc/08/12/31/521081231.db2.gz KSSMDFZISPHOHT-AWEZNQCLSA-N -1 3 364.492 2.700 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000593572295 521084848 /nfs/dbraw/zinc/08/48/48/521084848.db2.gz HYNFQLSGHUHWEQ-GFCCVEGCSA-N -1 3 367.883 2.830 20 30 FFEDHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1 ZINC000593621205 521112453 /nfs/dbraw/zinc/11/24/53/521112453.db2.gz VKUZZURCAUJNQO-UHFFFAOYSA-N -1 3 373.272 2.820 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000615748421 521520551 /nfs/dbraw/zinc/52/05/51/521520551.db2.gz HGQBOTSRSWETTD-OCCSQVGLSA-N -1 3 374.890 2.970 20 30 FFEDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000619475899 521587419 /nfs/dbraw/zinc/58/74/19/521587419.db2.gz GLCZJTPWCIMQSK-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000619528764 521754574 /nfs/dbraw/zinc/75/45/74/521754574.db2.gz FTVRFOTYHBBNAC-UHFFFAOYSA-N -1 3 351.653 2.931 20 30 FFEDHM Cc1nc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1C#N ZINC000511276426 561863648 /nfs/dbraw/zinc/86/36/48/561863648.db2.gz HVXSVYVRGZPUHK-UHFFFAOYSA-N -1 3 356.183 2.924 20 30 FFEDHM N#CCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822806586 599292753 /nfs/dbraw/zinc/29/27/53/599292753.db2.gz PZKNOUSHONPRNX-UHFFFAOYSA-N -1 3 353.308 2.701 20 30 FFEDHM N#CCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822806586 599292755 /nfs/dbraw/zinc/29/27/55/599292755.db2.gz PZKNOUSHONPRNX-UHFFFAOYSA-N -1 3 353.308 2.701 20 30 FFEDHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737137398 598925259 /nfs/dbraw/zinc/92/52/59/598925259.db2.gz HBVALKXNVZVUTJ-UHFFFAOYSA-N -1 3 362.393 2.663 20 30 FFEDHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737137398 598925261 /nfs/dbraw/zinc/92/52/61/598925261.db2.gz HBVALKXNVZVUTJ-UHFFFAOYSA-N -1 3 362.393 2.663 20 30 FFEDHM Cc1ccc(C)c(OCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737325361 598925556 /nfs/dbraw/zinc/92/55/56/598925556.db2.gz DVVNJCVGDSFLFP-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1ccc(C)c(OCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737325361 598925557 /nfs/dbraw/zinc/92/55/57/598925557.db2.gz DVVNJCVGDSFLFP-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(-c3ccco3)s2)ccc1-c1nnn[n-]1 ZINC000737708505 598928592 /nfs/dbraw/zinc/92/85/92/598928592.db2.gz GQTZSJHLASFEQZ-UHFFFAOYSA-N -1 3 363.362 2.707 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(-c3ccco3)s2)ccc1-c1nn[n-]n1 ZINC000737708505 598928594 /nfs/dbraw/zinc/92/85/94/598928594.db2.gz GQTZSJHLASFEQZ-UHFFFAOYSA-N -1 3 363.362 2.707 20 30 FFEDHM C[C@@](C#N)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000735505891 598969667 /nfs/dbraw/zinc/96/96/67/598969667.db2.gz XGMRIQYOIUBAAG-JZHDPFOFSA-N -1 3 350.426 2.859 20 30 FFEDHM C[C@@](C#N)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000735505891 598969668 /nfs/dbraw/zinc/96/96/68/598969668.db2.gz XGMRIQYOIUBAAG-JZHDPFOFSA-N -1 3 350.426 2.859 20 30 FFEDHM Cc1c(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822121855 607257606 /nfs/dbraw/zinc/25/76/06/607257606.db2.gz HOXLQTQEMPIULA-UHFFFAOYSA-N -1 3 367.800 2.751 20 30 FFEDHM Cc1c(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822121855 607257607 /nfs/dbraw/zinc/25/76/07/607257607.db2.gz HOXLQTQEMPIULA-UHFFFAOYSA-N -1 3 367.800 2.751 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000735380716 599070073 /nfs/dbraw/zinc/07/00/73/599070073.db2.gz LOZOTVVSYKXFLS-UHFFFAOYSA-N -1 3 364.409 2.688 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000735380716 599070076 /nfs/dbraw/zinc/07/00/76/599070076.db2.gz LOZOTVVSYKXFLS-UHFFFAOYSA-N -1 3 364.409 2.688 20 30 FFEDHM FC(F)Oc1cc2c(cc1C=NNc1cccc(-c3nnn[n-]3)c1)OCO2 ZINC000737638031 599127528 /nfs/dbraw/zinc/12/75/28/599127528.db2.gz AQLCEHOMENGTOL-UHFFFAOYSA-N -1 3 374.307 2.643 20 30 FFEDHM FC(F)Oc1cc2c(cc1C=NNc1cccc(-c3nn[n-]n3)c1)OCO2 ZINC000737638031 599127530 /nfs/dbraw/zinc/12/75/30/599127530.db2.gz AQLCEHOMENGTOL-UHFFFAOYSA-N -1 3 374.307 2.643 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735975543 599153641 /nfs/dbraw/zinc/15/36/41/599153641.db2.gz PNRCVJKERASJEV-CYBMUJFWSA-N -1 3 363.377 2.905 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2sccc2-c2nnn[n-]2)c(F)c1 ZINC000737722445 599170288 /nfs/dbraw/zinc/17/02/88/599170288.db2.gz JLDJRBQPXMGRMT-UHFFFAOYSA-N -1 3 360.399 2.670 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2sccc2-c2nn[n-]n2)c(F)c1 ZINC000737722445 599170290 /nfs/dbraw/zinc/17/02/90/599170290.db2.gz JLDJRBQPXMGRMT-UHFFFAOYSA-N -1 3 360.399 2.670 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000737715556 599192975 /nfs/dbraw/zinc/19/29/75/599192975.db2.gz BAMQAZVKIWZWMM-KTKRTIGZSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000737715556 599192977 /nfs/dbraw/zinc/19/29/77/599192977.db2.gz BAMQAZVKIWZWMM-KTKRTIGZSA-N -1 3 367.372 2.938 20 30 FFEDHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736172517 599198875 /nfs/dbraw/zinc/19/88/75/599198875.db2.gz ACECNGJAKZKTKV-GFCCVEGCSA-N -1 3 374.404 2.633 20 30 FFEDHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736172517 599198878 /nfs/dbraw/zinc/19/88/78/599198878.db2.gz ACECNGJAKZKTKV-GFCCVEGCSA-N -1 3 374.404 2.633 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)ccc1-c1nnn[n-]1 ZINC000737703593 599200276 /nfs/dbraw/zinc/20/02/76/599200276.db2.gz DCLMFEJTMZHFSP-QWHCGFSZSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)ccc1-c1nn[n-]n1 ZINC000737703593 599200278 /nfs/dbraw/zinc/20/02/78/599200278.db2.gz DCLMFEJTMZHFSP-QWHCGFSZSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)ccc1-c1nnn[n-]1 ZINC000737703584 599200417 /nfs/dbraw/zinc/20/04/17/599200417.db2.gz DCLMFEJTMZHFSP-CHWSQXEVSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)ccc1-c1nn[n-]n1 ZINC000737703584 599200419 /nfs/dbraw/zinc/20/04/19/599200419.db2.gz DCLMFEJTMZHFSP-CHWSQXEVSA-N -1 3 366.331 2.759 20 30 FFEDHM C[C@H](C#N)COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819858141 607323395 /nfs/dbraw/zinc/32/33/95/607323395.db2.gz ZSDJDILMGPIWPO-CYBMUJFWSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@H](C#N)COC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819858141 607323396 /nfs/dbraw/zinc/32/33/96/607323396.db2.gz ZSDJDILMGPIWPO-CYBMUJFWSA-N -1 3 363.377 2.762 20 30 FFEDHM C=CCOCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735437852 598231442 /nfs/dbraw/zinc/23/14/42/598231442.db2.gz RNSFRDKXBQPZDZ-UHFFFAOYSA-N -1 3 351.366 2.800 20 30 FFEDHM C=CCOCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735437852 598231444 /nfs/dbraw/zinc/23/14/44/598231444.db2.gz RNSFRDKXBQPZDZ-UHFFFAOYSA-N -1 3 351.366 2.800 20 30 FFEDHM Cc1c(C(=O)C=Cc2csc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201225 598378520 /nfs/dbraw/zinc/37/85/20/598378520.db2.gz ACUYTUXCSDUWRA-PLNGDYQASA-N -1 3 370.394 2.789 20 30 FFEDHM Cc1c(C(=O)C=Cc2csc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201225 598378521 /nfs/dbraw/zinc/37/85/21/598378521.db2.gz ACUYTUXCSDUWRA-PLNGDYQASA-N -1 3 370.394 2.789 20 30 FFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735418806 598437414 /nfs/dbraw/zinc/43/74/14/598437414.db2.gz JHYJROAOWMORRX-UHFFFAOYSA-N -1 3 360.830 2.805 20 30 FFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735418806 598437417 /nfs/dbraw/zinc/43/74/17/598437417.db2.gz JHYJROAOWMORRX-UHFFFAOYSA-N -1 3 360.830 2.805 20 30 FFEDHM N#Cc1c(F)cccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737706005 598755973 /nfs/dbraw/zinc/75/59/73/598755973.db2.gz SQSIXDKVWAEFBL-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CO[C@H]1CCCC[C@H]1C ZINC000735418154 598802942 /nfs/dbraw/zinc/80/29/42/598802942.db2.gz CLWQXRVLBFFEMO-QAPCUYQASA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CO[C@H]1CCCC[C@H]1C ZINC000735418154 598802944 /nfs/dbraw/zinc/80/29/44/598802944.db2.gz CLWQXRVLBFFEMO-QAPCUYQASA-N -1 3 369.469 2.977 20 30 FFEDHM Fc1ccc(F)c(CNN=C2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000822774275 599338128 /nfs/dbraw/zinc/33/81/28/599338128.db2.gz IQKKUXXIKIDDSA-UHFFFAOYSA-N -1 3 354.364 2.975 20 30 FFEDHM Fc1ccc(F)c(CNN=C2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000822774275 599338131 /nfs/dbraw/zinc/33/81/31/599338131.db2.gz IQKKUXXIKIDDSA-UHFFFAOYSA-N -1 3 354.364 2.975 20 30 FFEDHM C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820348338 599475722 /nfs/dbraw/zinc/47/57/22/599475722.db2.gz BLCDKDUGRKKYIY-STQMWFEESA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820348338 599475723 /nfs/dbraw/zinc/47/57/23/599475723.db2.gz BLCDKDUGRKKYIY-STQMWFEESA-N -1 3 361.409 2.860 20 30 FFEDHM Fc1cc(-c2nnn[n-]2)ccc1CON=Cc1c(Cl)nc2ccccn21 ZINC000737641200 599476271 /nfs/dbraw/zinc/47/62/71/599476271.db2.gz UXDRFDKXAFMDPC-UHFFFAOYSA-N -1 3 371.763 2.858 20 30 FFEDHM Fc1cc(-c2nn[n-]n2)ccc1CON=Cc1c(Cl)nc2ccccn21 ZINC000737641200 599476273 /nfs/dbraw/zinc/47/62/73/599476273.db2.gz UXDRFDKXAFMDPC-UHFFFAOYSA-N -1 3 371.763 2.858 20 30 FFEDHM C[C@@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCc2ccccc2C1 ZINC000820576967 599631016 /nfs/dbraw/zinc/63/10/16/599631016.db2.gz FCFYNXNVESRWHE-HXUWFJFHSA-N -1 3 358.405 2.872 20 30 FFEDHM C[C@@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCc2ccccc2C1 ZINC000820576967 599631017 /nfs/dbraw/zinc/63/10/17/599631017.db2.gz FCFYNXNVESRWHE-HXUWFJFHSA-N -1 3 358.405 2.872 20 30 FFEDHM C=CCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734846 607390410 /nfs/dbraw/zinc/39/04/10/607390410.db2.gz VPGTVTIUFGOEKO-KRWDZBQOSA-N -1 3 369.450 2.853 20 30 FFEDHM C=CCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734846 607390412 /nfs/dbraw/zinc/39/04/12/607390412.db2.gz VPGTVTIUFGOEKO-KRWDZBQOSA-N -1 3 369.450 2.853 20 30 FFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000739105370 600570835 /nfs/dbraw/zinc/57/08/35/600570835.db2.gz LMEGBQDYYGHPDQ-HXUWFJFHSA-N -1 3 369.465 2.799 20 30 FFEDHM N#Cc1ccc([C@@H](NCc2cc(Cl)c3c(c2)OCCO3)C(=O)[O-])cc1 ZINC000739108065 600594227 /nfs/dbraw/zinc/59/42/27/600594227.db2.gz TWEGKPQUNLMQBG-MRXNPFEDSA-N -1 3 358.781 2.898 20 30 FFEDHM C#Cc1cccc(N(CC)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000823861727 607461324 /nfs/dbraw/zinc/46/13/24/607461324.db2.gz QDCNUFRXQWEJNF-UHFFFAOYSA-N -1 3 364.409 2.523 20 30 FFEDHM CC(=NOCc1cccnc1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823962407 607532074 /nfs/dbraw/zinc/53/20/74/607532074.db2.gz JYRYJGQPUQQPEE-UHFFFAOYSA-N -1 3 374.408 2.697 20 30 FFEDHM CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714713 602051270 /nfs/dbraw/zinc/05/12/70/602051270.db2.gz WXXQQIXZWBXKRM-DOTOQJQBSA-N -1 3 364.323 2.767 20 30 FFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823919361 607544971 /nfs/dbraw/zinc/54/49/71/607544971.db2.gz DBEPYQKEPOEBSU-UHFFFAOYSA-N -1 3 369.450 2.552 20 30 FFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823919361 607544972 /nfs/dbraw/zinc/54/49/72/607544972.db2.gz DBEPYQKEPOEBSU-UHFFFAOYSA-N -1 3 369.450 2.552 20 30 FFEDHM COc1ccc(CNC[C@H](NC(=O)[O-])c2ccccc2OC)cc1C#N ZINC000829389695 603160404 /nfs/dbraw/zinc/16/04/04/603160404.db2.gz NLHXSHDRLRLTIG-INIZCTEOSA-N -1 3 355.394 2.674 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826180485 607645668 /nfs/dbraw/zinc/64/56/68/607645668.db2.gz JOYHGCGLXDRLIY-TWGQIWQCSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826180485 607645669 /nfs/dbraw/zinc/64/56/69/607645669.db2.gz JOYHGCGLXDRLIY-TWGQIWQCSA-N -1 3 363.377 2.730 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C#N)cc1C ZINC000823915025 607674886 /nfs/dbraw/zinc/67/48/86/607674886.db2.gz RORPEFGKFLZSCO-UHFFFAOYSA-N -1 3 358.405 2.875 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C#N)cc1C ZINC000823915025 607674888 /nfs/dbraw/zinc/67/48/88/607674888.db2.gz RORPEFGKFLZSCO-UHFFFAOYSA-N -1 3 358.405 2.875 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824035012 607731347 /nfs/dbraw/zinc/73/13/47/607731347.db2.gz RLRILHJRTJTELP-JTQLQIEISA-N -1 3 353.411 2.699 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824035012 607731349 /nfs/dbraw/zinc/73/13/49/607731349.db2.gz RLRILHJRTJTELP-JTQLQIEISA-N -1 3 353.411 2.699 20 30 FFEDHM N#Cc1ccc(-c2ccn(CN3C[C@@H]4CCC[C@H](NC(=O)[O-])[C@H]4C3)n2)cc1 ZINC000833974701 605325941 /nfs/dbraw/zinc/32/59/41/605325941.db2.gz NMJCQWYDBMBCIJ-LNLFQRSKSA-N -1 3 365.437 2.747 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833941388 605948353 /nfs/dbraw/zinc/94/83/53/605948353.db2.gz ZSLOWJJMPNAYPE-QWHCGFSZSA-N -1 3 352.394 2.530 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1CC2(CCCC2)CC1=O ZINC000819745836 606155979 /nfs/dbraw/zinc/15/59/79/606155979.db2.gz SKEPTWCCIUCESN-UHFFFAOYSA-N -1 3 366.469 2.605 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1CC2(CCCC2)CC1=O ZINC000819745836 606155980 /nfs/dbraw/zinc/15/59/80/606155980.db2.gz SKEPTWCCIUCESN-UHFFFAOYSA-N -1 3 366.469 2.605 20 30 FFEDHM c1c(CON=C2CCOc3ccccc32)c(-c2nnn[n-]2)c2ccccn12 ZINC000823801758 606176180 /nfs/dbraw/zinc/17/61/80/606176180.db2.gz AGLYFELHHFPOTF-UHFFFAOYSA-N -1 3 360.377 2.823 20 30 FFEDHM c1c(CON=C2CCOc3ccccc32)c(-c2nn[n-]n2)c2ccccn12 ZINC000823801758 606176181 /nfs/dbraw/zinc/17/61/81/606176181.db2.gz AGLYFELHHFPOTF-UHFFFAOYSA-N -1 3 360.377 2.823 20 30 FFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000822805736 606301788 /nfs/dbraw/zinc/30/17/88/606301788.db2.gz BKMIEQWGYIDNSN-FZKQIMNGSA-N -1 3 358.405 2.956 20 30 FFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000822805736 606301790 /nfs/dbraw/zinc/30/17/90/606301790.db2.gz BKMIEQWGYIDNSN-FZKQIMNGSA-N -1 3 358.405 2.956 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822922800 606306487 /nfs/dbraw/zinc/30/64/87/606306487.db2.gz JWQXLFSJSJXRIP-IWQZZHSRSA-N -1 3 367.312 2.944 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822922800 606306489 /nfs/dbraw/zinc/30/64/89/606306489.db2.gz JWQXLFSJSJXRIP-IWQZZHSRSA-N -1 3 367.312 2.944 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821703301 606387123 /nfs/dbraw/zinc/38/71/23/606387123.db2.gz YNQLMHJIZVCIFI-XQRVVYSFSA-N -1 3 372.406 2.850 20 30 FFEDHM N#Cc1ccc(NCCNc2ncccc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822829773 606461275 /nfs/dbraw/zinc/46/12/75/606461275.db2.gz IGWNUSQCQLGCPN-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1ccc(NCCNc2ncccc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822829773 606461276 /nfs/dbraw/zinc/46/12/76/606461276.db2.gz IGWNUSQCQLGCPN-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820154883 606496749 /nfs/dbraw/zinc/49/67/49/606496749.db2.gz BLYGICAKLWTIFT-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820154883 606496751 /nfs/dbraw/zinc/49/67/51/606496751.db2.gz BLYGICAKLWTIFT-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000820841866 606512751 /nfs/dbraw/zinc/51/27/51/606512751.db2.gz GUYVPFORRVBCCI-ZDUSSCGKSA-N -1 3 368.422 2.539 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000820841866 606512752 /nfs/dbraw/zinc/51/27/52/606512752.db2.gz GUYVPFORRVBCCI-ZDUSSCGKSA-N -1 3 368.422 2.539 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820842111 606613784 /nfs/dbraw/zinc/61/37/84/606613784.db2.gz JUZDGZKZVBRLOY-HNNXBMFYSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820842111 606613786 /nfs/dbraw/zinc/61/37/86/606613786.db2.gz JUZDGZKZVBRLOY-HNNXBMFYSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820843451 606614221 /nfs/dbraw/zinc/61/42/21/606614221.db2.gz ZQUHZKLUZDUDHP-OAHLLOKOSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820843451 606614223 /nfs/dbraw/zinc/61/42/23/606614223.db2.gz ZQUHZKLUZDUDHP-OAHLLOKOSA-N -1 3 363.377 2.905 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC000822819566 606685292 /nfs/dbraw/zinc/68/52/92/606685292.db2.gz WINJSSOBWCBWHE-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000822819566 606685293 /nfs/dbraw/zinc/68/52/93/606685293.db2.gz WINJSSOBWCBWHE-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1F ZINC000822822924 606703486 /nfs/dbraw/zinc/70/34/86/606703486.db2.gz IECIKNHYWIXXCD-UHFFFAOYSA-N -1 3 362.328 2.540 20 30 FFEDHM N#Cc1cc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1F ZINC000822822924 606703487 /nfs/dbraw/zinc/70/34/87/606703487.db2.gz IECIKNHYWIXXCD-UHFFFAOYSA-N -1 3 362.328 2.540 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000822818891 606759487 /nfs/dbraw/zinc/75/94/87/606759487.db2.gz IMAVWIXUCYVMCR-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000822818891 606759488 /nfs/dbraw/zinc/75/94/88/606759488.db2.gz IMAVWIXUCYVMCR-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM C=CCNC(=O)c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819751133 606926878 /nfs/dbraw/zinc/92/68/78/606926878.db2.gz RGWGKKKEFYDQKA-UHFFFAOYSA-N -1 3 352.373 2.534 20 30 FFEDHM C=CCNC(=O)c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819751133 606926880 /nfs/dbraw/zinc/92/68/80/606926880.db2.gz RGWGKKKEFYDQKA-UHFFFAOYSA-N -1 3 352.373 2.534 20 30 FFEDHM CN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1C#N ZINC000821572207 606964819 /nfs/dbraw/zinc/96/48/19/606964819.db2.gz VVOILUCTYHXIAT-UHFFFAOYSA-N -1 3 352.785 2.597 20 30 FFEDHM CN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1C#N ZINC000821572207 606964820 /nfs/dbraw/zinc/96/48/20/606964820.db2.gz VVOILUCTYHXIAT-UHFFFAOYSA-N -1 3 352.785 2.597 20 30 FFEDHM C=C(C)[C@@H](CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1)OCC ZINC000823873654 607923948 /nfs/dbraw/zinc/92/39/48/607923948.db2.gz OVTZXWDZWLSDAO-CZUORRHYSA-N -1 3 360.414 2.549 20 30 FFEDHM C=C(C)[C@@H](CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1)OCC ZINC000823873654 607923949 /nfs/dbraw/zinc/92/39/49/607923949.db2.gz OVTZXWDZWLSDAO-CZUORRHYSA-N -1 3 360.414 2.549 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(OC)c1F ZINC000823914184 608059435 /nfs/dbraw/zinc/05/94/35/608059435.db2.gz CTRDEXNZDNLMAR-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(OC)c1F ZINC000823914184 608059436 /nfs/dbraw/zinc/05/94/36/608059436.db2.gz CTRDEXNZDNLMAR-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823954058 608092395 /nfs/dbraw/zinc/09/23/95/608092395.db2.gz XEVLRLUZFLLOKD-GXSJLCMTSA-N -1 3 363.516 2.695 20 30 FFEDHM C=CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000823903767 608261395 /nfs/dbraw/zinc/26/13/95/608261395.db2.gz JYFOLKWTEDUQHI-UHFFFAOYSA-N -1 3 350.329 2.650 20 30 FFEDHM C=CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000823903767 608261397 /nfs/dbraw/zinc/26/13/97/608261397.db2.gz JYFOLKWTEDUQHI-UHFFFAOYSA-N -1 3 350.329 2.650 20 30 FFEDHM C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824514172 609162215 /nfs/dbraw/zinc/16/22/15/609162215.db2.gz MLFYVIVBYLCFHI-ZDUSSCGKSA-N -1 3 358.405 2.913 20 30 FFEDHM C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824514172 609162217 /nfs/dbraw/zinc/16/22/17/609162217.db2.gz MLFYVIVBYLCFHI-ZDUSSCGKSA-N -1 3 358.405 2.913 20 30 FFEDHM CSc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826231142 609186977 /nfs/dbraw/zinc/18/69/77/609186977.db2.gz YTJMCZCJPHKBPD-UHFFFAOYSA-N -1 3 350.407 2.641 20 30 FFEDHM CSc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826231142 609186978 /nfs/dbraw/zinc/18/69/78/609186978.db2.gz YTJMCZCJPHKBPD-UHFFFAOYSA-N -1 3 350.407 2.641 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1-c1nnn[n-]1 ZINC000824329072 609405602 /nfs/dbraw/zinc/40/56/02/609405602.db2.gz HGKXDKXWGWJVMX-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1-c1nn[n-]n1 ZINC000824329072 609405604 /nfs/dbraw/zinc/40/56/04/609405604.db2.gz HGKXDKXWGWJVMX-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM C#CCOc1ccccc1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823861588 609552187 /nfs/dbraw/zinc/55/21/87/609552187.db2.gz NYRVHLWQSRRZEJ-UHFFFAOYSA-N -1 3 354.801 2.848 20 30 FFEDHM C#CCOc1ccccc1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823861588 609552189 /nfs/dbraw/zinc/55/21/89/609552189.db2.gz NYRVHLWQSRRZEJ-UHFFFAOYSA-N -1 3 354.801 2.848 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824035051 609624750 /nfs/dbraw/zinc/62/47/50/609624750.db2.gz SHZGRWJFCZAVRP-CYBMUJFWSA-N -1 3 362.393 2.729 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824035051 609624751 /nfs/dbraw/zinc/62/47/51/609624751.db2.gz SHZGRWJFCZAVRP-CYBMUJFWSA-N -1 3 362.393 2.729 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824034714 609625086 /nfs/dbraw/zinc/62/50/86/609625086.db2.gz NRCLZBQRVHSZJR-SECBINFHSA-N -1 3 370.319 2.688 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824034714 609625088 /nfs/dbraw/zinc/62/50/88/609625088.db2.gz NRCLZBQRVHSZJR-SECBINFHSA-N -1 3 370.319 2.688 20 30 FFEDHM C[C@H](CC(=O)OCCC1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744094258 735331455 /nfs/dbraw/zinc/33/14/55/735331455.db2.gz WHDXVAFMKFMTIG-CYBMUJFWSA-N -1 3 364.467 2.627 20 30 FFEDHM C#Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000024921780 727855832 /nfs/dbraw/zinc/85/58/32/727855832.db2.gz QXLHWKRZVKGRIQ-UHFFFAOYSA-N -1 3 358.394 2.500 20 30 FFEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cn1 ZINC000114617987 728561985 /nfs/dbraw/zinc/56/19/85/728561985.db2.gz GUACISUQIAJBLY-GFCCVEGCSA-N -1 3 360.801 2.835 20 30 FFEDHM CN(C)c1ccc(S(N)(=O)=O)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000255577030 729643513 /nfs/dbraw/zinc/64/35/13/729643513.db2.gz SNFVXTWXBIGEAD-UHFFFAOYSA-N -1 3 353.831 2.510 20 30 FFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000859425846 730454399 /nfs/dbraw/zinc/45/43/99/730454399.db2.gz LWMXIPDUYWQNDF-NSHDSACASA-N -1 3 353.337 2.551 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1C[C@@]1(C)Br ZINC000861322985 730597514 /nfs/dbraw/zinc/59/75/14/730597514.db2.gz UTDAUEUENVECJN-BDJLRTHQSA-N -1 3 367.243 2.925 20 30 FFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CCOCC2)c1 ZINC000647126749 730717414 /nfs/dbraw/zinc/71/74/14/730717414.db2.gz ZFJFIZKPMIKOMN-SFHVURJKSA-N -1 3 369.483 2.825 20 30 FFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CCOCC2)c1 ZINC000647126748 730717436 /nfs/dbraw/zinc/71/74/36/730717436.db2.gz ZFJFIZKPMIKOMN-GOSISDBHSA-N -1 3 369.483 2.825 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C#Cc2ccccn2)c1)C(C)C ZINC000647266762 730729912 /nfs/dbraw/zinc/72/99/12/730729912.db2.gz OPLJBYXPWXBXPF-LJQANCHMSA-N -1 3 358.463 2.894 20 30 FFEDHM [O-]c1cccc(Br)c1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000863075540 730749847 /nfs/dbraw/zinc/74/98/47/730749847.db2.gz RSLNJFCNWFEWFJ-NSHDSACASA-N -1 3 369.244 2.769 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651602034 731105719 /nfs/dbraw/zinc/10/57/19/731105719.db2.gz AEEFNVXQPYJSCS-UHFFFAOYSA-N -1 3 354.291 2.690 20 30 FFEDHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)c1cccc(C#N)c1 ZINC000872504960 731782129 /nfs/dbraw/zinc/78/21/29/731782129.db2.gz MRFAZNKSFHGUPC-JOCHJYFZSA-N -1 3 357.501 2.524 20 30 FFEDHM C[S@](=O)(=NS(=O)(=O)[N-]c1ccc(CC#N)cc1)C1CCCCC1 ZINC000882676500 733268597 /nfs/dbraw/zinc/26/85/97/733268597.db2.gz LUIOYVVDBLLJCV-JOCHJYFZSA-N -1 3 355.485 2.840 20 30 FFEDHM C#CCC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1 ZINC000886791842 733835913 /nfs/dbraw/zinc/83/59/13/733835913.db2.gz ZTRWUUWYHKDWSR-UHFFFAOYSA-N -1 3 359.223 2.966 20 30 FFEDHM C=CC[S@](=O)(=NC([O-])=CS(=O)(=O)C1CCCC1)c1ccccc1 ZINC000891377258 734421616 /nfs/dbraw/zinc/42/16/16/734421616.db2.gz UWUYPEDECPWSJC-JOCHJYFZSA-N -1 3 355.481 2.584 20 30 FFEDHM Cc1ccn2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c2n1 ZINC000727954078 734508767 /nfs/dbraw/zinc/50/87/67/734508767.db2.gz VERNUJQYCJBKAZ-NSHDSACASA-N -1 3 353.769 2.652 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c(CO)c1 ZINC000894997656 734950042 /nfs/dbraw/zinc/95/00/42/734950042.db2.gz XHGXVLMRIZCSQD-UHFFFAOYSA-N -1 3 357.841 2.732 20 30 FFEDHM C=CCCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000740207654 735069458 /nfs/dbraw/zinc/06/94/58/735069458.db2.gz XKKREQISFLLREX-UHFFFAOYSA-N -1 3 352.239 2.781 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCc2c1c(F)ccc2F ZINC000749620949 735735584 /nfs/dbraw/zinc/73/55/84/735735584.db2.gz AIKNOQJUGCLIQV-UHFFFAOYSA-N -1 3 350.390 2.777 20 30 FFEDHM CCc1ccc(S(C)(=O)=O)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372643 735772063 /nfs/dbraw/zinc/77/20/63/735772063.db2.gz JYHPHXUQUKMOPP-UHFFFAOYSA-N -1 3 351.399 2.823 20 30 FFEDHM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374881 735772094 /nfs/dbraw/zinc/77/20/94/735772094.db2.gz VIKDONTZYVOTDZ-MRXNPFEDSA-N -1 3 362.426 2.839 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1OC ZINC000752478213 735988945 /nfs/dbraw/zinc/98/89/45/735988945.db2.gz ZXVXHPOYSKJTJY-LBPRGKRZSA-N -1 3 359.407 2.738 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])COC(=O)C(C)(C)N(C)C2CCCC2)n1 ZINC000754871386 736211590 /nfs/dbraw/zinc/21/15/90/736211590.db2.gz HAPZYGPCYQVKTH-AWEZNQCLSA-N -1 3 363.483 2.824 20 30 FFEDHM O=[N+]([O-])c1ccc(N=NCc2cc(O)cc(Br)c2[O-])nc1 ZINC000755650293 736268362 /nfs/dbraw/zinc/26/83/62/736268362.db2.gz UKMLKPOOKXSQNF-UHFFFAOYSA-N -1 3 353.132 2.610 20 30 FFEDHM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCCN3CCSC[C@@H]23)c1[O-] ZINC000905001467 736284975 /nfs/dbraw/zinc/28/49/75/736284975.db2.gz AKVGFOSJHLYCEU-UXQWNLSTSA-N -1 3 355.847 2.953 20 30 FFEDHM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCCN3CCSC[C@H]23)c1[O-] ZINC000905001464 736284987 /nfs/dbraw/zinc/28/49/87/736284987.db2.gz AKVGFOSJHLYCEU-NBWXQCIBSA-N -1 3 355.847 2.953 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC/C(Cl)=C\Cl)ccc1F ZINC000763918875 736978342 /nfs/dbraw/zinc/97/83/42/736978342.db2.gz MEBHYFFUUVQFMY-JXMROGBWSA-N -1 3 368.213 2.766 20 30 FFEDHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000765585563 737135450 /nfs/dbraw/zinc/13/54/50/737135450.db2.gz CCIMZYPXDCKMGQ-ZDUSSCGKSA-N -1 3 361.760 2.982 20 30 FFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000770393675 737622540 /nfs/dbraw/zinc/62/25/40/737622540.db2.gz PWYXUXXRVLWWTR-NSHDSACASA-N -1 3 351.449 2.768 20 30 FFEDHM Oc1ccccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000916321439 737696822 /nfs/dbraw/zinc/69/68/22/737696822.db2.gz ZGEDPLXJDKYPPZ-HNNXBMFYSA-N -1 3 354.391 2.667 20 30 FFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nc1 ZINC000917879852 737781668 /nfs/dbraw/zinc/78/16/68/737781668.db2.gz LEKBWISNTTTZKN-UHFFFAOYSA-N -1 3 371.249 2.650 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(Br)s1 ZINC000920384239 737904484 /nfs/dbraw/zinc/90/44/84/737904484.db2.gz XHRKKJROJCHAGT-UHFFFAOYSA-N -1 3 359.270 2.964 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CC(c3ccccc3)C2)cc1 ZINC000814822310 741868089 /nfs/dbraw/zinc/86/80/89/741868089.db2.gz LTISNGDCOHYBRI-UHFFFAOYSA-N -1 3 359.407 2.948 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1cccc2ccccc21 ZINC000921386593 737974462 /nfs/dbraw/zinc/97/44/62/737974462.db2.gz QLFZITORNUJCRX-KRWDZBQOSA-N -1 3 360.435 2.667 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](OC(=O)c2cccc(Cl)c2[O-])C1=O ZINC000775928350 738143202 /nfs/dbraw/zinc/14/32/02/738143202.db2.gz CDMKMEZFLHCZIV-LBPRGKRZSA-N -1 3 362.794 2.941 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000776016088 738152748 /nfs/dbraw/zinc/15/27/48/738152748.db2.gz LIQKNOKPRPXKIY-CYBMUJFWSA-N -1 3 356.463 2.987 20 30 FFEDHM C=C[C@H](CC)OC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000776105319 738161783 /nfs/dbraw/zinc/16/17/83/738161783.db2.gz QEAAUAIYFKMREK-HIFRSBDPSA-N -1 3 364.467 2.792 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(CC#N)cc2)ccc1F ZINC000776114452 738162493 /nfs/dbraw/zinc/16/24/93/738162493.db2.gz PKMQMVLRGZCYAG-UHFFFAOYSA-N -1 3 362.382 2.620 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000785861817 739005340 /nfs/dbraw/zinc/00/53/40/739005340.db2.gz MJFWEHYCONUZIL-CQSZACIVSA-N -1 3 354.447 2.693 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCN2C2CCCC2)n1 ZINC000786879611 739084586 /nfs/dbraw/zinc/08/45/86/739084586.db2.gz OBIPGEWVTTWPKC-HUUCEWRRSA-N -1 3 361.467 2.578 20 30 FFEDHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c(C)c1Cl ZINC000788549877 739257420 /nfs/dbraw/zinc/25/74/20/739257420.db2.gz WYXMTOPZQGFRKI-MRVPVSSYSA-N -1 3 364.876 2.713 20 30 FFEDHM COC(=O)c1ccc(Cl)c(C=N[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000794857103 739936531 /nfs/dbraw/zinc/93/65/31/739936531.db2.gz NLOFWYXEOGLGSI-UHFFFAOYSA-N -1 3 366.826 2.580 20 30 FFEDHM CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794937857 739944421 /nfs/dbraw/zinc/94/44/21/739944421.db2.gz LMDAXQJWBGKIMX-VURMDHGXSA-N -1 3 367.373 2.817 20 30 FFEDHM CC(C)(C#N)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796829745 740188014 /nfs/dbraw/zinc/18/80/14/740188014.db2.gz YWEVAWOADKROHQ-UHFFFAOYSA-N -1 3 364.345 2.783 20 30 FFEDHM CC[C@@H](CC#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796893561 740193897 /nfs/dbraw/zinc/19/38/97/740193897.db2.gz RQFSUYAUHVYLLZ-LBPRGKRZSA-N -1 3 364.345 2.926 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1nnc2ccccc2n1 ZINC000810530216 741425129 /nfs/dbraw/zinc/42/51/29/741425129.db2.gz YCLZRTMCHRGVEB-GFCCVEGCSA-N -1 3 351.753 2.639 20 30 FFEDHM C#CCC1(OC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)CCC1 ZINC000810749623 741446442 /nfs/dbraw/zinc/44/64/42/741446442.db2.gz MYIUOBWHSDUEFT-UHFFFAOYSA-N -1 3 365.451 2.705 20 30 FFEDHM CC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([O-])cc1F ZINC000812230750 741598701 /nfs/dbraw/zinc/59/87/01/741598701.db2.gz BFQGFRYYTGOBSJ-UHFFFAOYSA-N -1 3 351.403 2.618 20 30 FFEDHM C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C ZINC000813780041 741763105 /nfs/dbraw/zinc/76/31/05/741763105.db2.gz LCSKBRKRZRRHFO-HNNXBMFYSA-N -1 3 368.474 2.680 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])o1 ZINC000815878245 741968471 /nfs/dbraw/zinc/96/84/71/741968471.db2.gz YQJXQAGAYOAIMN-UHFFFAOYSA-N -1 3 354.103 2.714 20 30 FFEDHM CCn1nncc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000815909288 741972199 /nfs/dbraw/zinc/97/21/99/741972199.db2.gz WTUWTUMUVHLEJZ-VIFPVBQESA-N -1 3 352.181 2.566 20 30 FFEDHM O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@@H]1CCCN([O-])C1=O ZINC000816754052 742059062 /nfs/dbraw/zinc/05/90/62/742059062.db2.gz VTWLHICWUYZEMT-CYBMUJFWSA-N -1 3 365.842 2.502 20 30 FFEDHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@H]1CCCN([O-])C1=O ZINC000816757924 742059407 /nfs/dbraw/zinc/05/94/07/742059407.db2.gz FASAZWWWIMNBQV-VIFPVBQESA-N -1 3 371.871 2.564 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1SCc1cscn1 ZINC000816760430 742059480 /nfs/dbraw/zinc/05/94/80/742059480.db2.gz RCFAKGAFOOZZNR-ZDUSSCGKSA-N -1 3 363.464 2.545 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000816758898 742059515 /nfs/dbraw/zinc/05/95/15/742059515.db2.gz ZYEYQQMQVLZFHH-CQSZACIVSA-N -1 3 352.818 2.771 20 30 FFEDHM N#Cc1c(Cl)cccc1S[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826382960 743383938 /nfs/dbraw/zinc/38/39/38/743383938.db2.gz COVYSGSAVMVCJN-AWEZNQCLSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1c(Cl)cccc1S[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826382960 743383946 /nfs/dbraw/zinc/38/39/46/743383946.db2.gz COVYSGSAVMVCJN-AWEZNQCLSA-N -1 3 370.825 2.710 20 30 FFEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)[C@@H]1CCCO1 ZINC000828852061 745127120 /nfs/dbraw/zinc/12/71/20/745127120.db2.gz KBAJBBZJLDETCO-STQMWFEESA-N -1 3 358.182 2.838 20 30 FFEDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1(Cl)Cl ZINC000832364358 745683787 /nfs/dbraw/zinc/68/37/87/745683787.db2.gz GFTRQFHSQKGXMM-LBPRGKRZSA-N -1 3 351.230 2.950 20 30 FFEDHM CCOC(=O)C(C)(C)ON=Cc1cc(Br)c([O-])c(OC)c1 ZINC000835004220 745930526 /nfs/dbraw/zinc/93/05/26/745930526.db2.gz OQBKQMJRIMOKMM-UHFFFAOYSA-N -1 3 360.204 2.856 20 30 FFEDHM C=CCn1c2ncn(Cc3cc(=O)[n-]c(C4CC4)n3)c(=O)c2sc1=S ZINC000840080380 746994809 /nfs/dbraw/zinc/99/48/09/746994809.db2.gz XAKXODSNWBEOBH-UHFFFAOYSA-N -1 3 373.463 2.596 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000840706846 747163702 /nfs/dbraw/zinc/16/37/02/747163702.db2.gz LIOJSYUCHMDGRA-QDBSGRMGSA-N -1 3 351.447 2.700 20 30 FFEDHM Cc1cc2c(o1)c(C(=O)N[C@@H]1CCCN([O-])C1=O)ccc2Br ZINC000848133805 748851319 /nfs/dbraw/zinc/85/13/19/748851319.db2.gz HMZFWEWYWXKHIS-GFCCVEGCSA-N -1 3 367.199 2.614 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCC#N)c1)C1CCCCC1 ZINC000849304373 749094815 /nfs/dbraw/zinc/09/48/15/749094815.db2.gz QYIPSGNSMNHCAF-QGZVFWFLSA-N -1 3 352.456 2.926 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCOC(C)C ZINC000823909424 946513428 /nfs/dbraw/zinc/51/34/28/946513428.db2.gz CWYBWOCCGLSDCD-UHFFFAOYSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCOC(C)C ZINC000823909424 946513430 /nfs/dbraw/zinc/51/34/30/946513430.db2.gz CWYBWOCCGLSDCD-UHFFFAOYSA-N -1 3 372.473 2.770 20 30 FFEDHM CC#CCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823937376 946524476 /nfs/dbraw/zinc/52/44/76/946524476.db2.gz VCGUYZWQZNXWCI-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM CC#CCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823937376 946524481 /nfs/dbraw/zinc/52/44/81/946524481.db2.gz VCGUYZWQZNXWCI-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC1CC1 ZINC001573287496 946838295 /nfs/dbraw/zinc/83/82/95/946838295.db2.gz CIROGZJOZSAJLG-HXUWFJFHSA-N -1 3 374.452 2.527 20 30 FFEDHM C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC1CC1 ZINC001573287496 946838302 /nfs/dbraw/zinc/83/83/02/946838302.db2.gz CIROGZJOZSAJLG-HXUWFJFHSA-N -1 3 374.452 2.527 20 30 FFEDHM C#CCOc1ccc(C(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573289955 946895824 /nfs/dbraw/zinc/89/58/24/946895824.db2.gz RXQIBGQFQXZQAC-AWEZNQCLSA-N -1 3 361.405 2.712 20 30 FFEDHM C#CCOc1ccc(C(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573289955 946895831 /nfs/dbraw/zinc/89/58/31/946895831.db2.gz RXQIBGQFQXZQAC-AWEZNQCLSA-N -1 3 361.405 2.712 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573299710 947100726 /nfs/dbraw/zinc/10/07/26/947100726.db2.gz GSNHAXYHJYNOFF-ZJUUUORDSA-N -1 3 363.491 2.539 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573306306 947169894 /nfs/dbraw/zinc/16/98/94/947169894.db2.gz JNXMMOHXFXQAFF-RTBURBONSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573306306 947169899 /nfs/dbraw/zinc/16/98/99/947169899.db2.gz JNXMMOHXFXQAFF-RTBURBONSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573314912 947240783 /nfs/dbraw/zinc/24/07/83/947240783.db2.gz HVJHUJXGLMZBTC-ZDUSSCGKSA-N -1 3 374.876 2.771 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)C[C@H](C)Nc2ncccc2-c2nnn[n-]2)CCC1 ZINC001573325438 947356226 /nfs/dbraw/zinc/35/62/26/947356226.db2.gz BSWGHHSMFJWXOJ-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)C[C@H](C)Nc2ncccc2-c2nn[n-]n2)CCC1 ZINC001573325438 947356239 /nfs/dbraw/zinc/35/62/39/947356239.db2.gz BSWGHHSMFJWXOJ-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCCC(=O)NCCC1=CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573328503 947409482 /nfs/dbraw/zinc/40/94/82/947409482.db2.gz XKLXURZTMNDGPA-UHFFFAOYSA-N -1 3 370.432 2.615 20 30 FFEDHM C=CCCC(=O)NCCC1=CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573328503 947409491 /nfs/dbraw/zinc/40/94/91/947409491.db2.gz XKLXURZTMNDGPA-UHFFFAOYSA-N -1 3 370.432 2.615 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)CCCCC1 ZINC001573328975 947416425 /nfs/dbraw/zinc/41/64/25/947416425.db2.gz FTQBVAVDPCEJJY-UHFFFAOYSA-N -1 3 361.471 2.732 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)CCCCC1 ZINC001573328975 947416437 /nfs/dbraw/zinc/41/64/37/947416437.db2.gz FTQBVAVDPCEJJY-UHFFFAOYSA-N -1 3 361.471 2.732 20 30 FFEDHM C=CCCCC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nnn[n-]1 ZINC001573333834 947443347 /nfs/dbraw/zinc/44/33/47/947443347.db2.gz GKLSZHVWGUXWIF-UHFFFAOYSA-N -1 3 357.462 2.515 20 30 FFEDHM C=CCCCC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nn[n-]n1 ZINC001573333834 947443353 /nfs/dbraw/zinc/44/33/53/947443353.db2.gz GKLSZHVWGUXWIF-UHFFFAOYSA-N -1 3 357.462 2.515 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC000826190573 947581720 /nfs/dbraw/zinc/58/17/20/947581720.db2.gz GAJFKGPZBWXBSY-QHHAFSJGSA-N -1 3 369.312 2.819 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826190573 947581728 /nfs/dbraw/zinc/58/17/28/947581728.db2.gz GAJFKGPZBWXBSY-QHHAFSJGSA-N -1 3 369.312 2.819 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000826401851 948222669 /nfs/dbraw/zinc/22/26/69/948222669.db2.gz IBZWLUZRYGCRJR-XFXZXTDPSA-N -1 3 359.389 2.890 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCCC2=O)cc1 ZINC000826401851 948222676 /nfs/dbraw/zinc/22/26/76/948222676.db2.gz IBZWLUZRYGCRJR-XFXZXTDPSA-N -1 3 359.389 2.890 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000874900950 1013927893 /nfs/dbraw/zinc/92/78/93/1013927893.db2.gz DAZDDWLLPVZKMG-QGZVFWFLSA-N -1 3 367.380 2.955 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(CC#N)cc2)c([O-])c1 ZINC000785279457 974153953 /nfs/dbraw/zinc/15/39/53/974153953.db2.gz BXLZFBQLYPQSMR-UHFFFAOYSA-N -1 3 352.390 2.630 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898815574 976705043 /nfs/dbraw/zinc/70/50/43/976705043.db2.gz JNKUDLGGAWSKGX-INIZCTEOSA-N -1 3 359.474 2.539 20 30 FFEDHM C=CCCC[C@H](NC(=O)NCCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000908819732 981545642 /nfs/dbraw/zinc/54/56/42/981545642.db2.gz HOMISFNTFYRTKS-SFHVURJKSA-N -1 3 359.470 2.544 20 30 FFEDHM C#CCN1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000909694112 981693311 /nfs/dbraw/zinc/69/33/11/981693311.db2.gz KYFJUAVXIJXOEC-FQEVSTJZSA-N -1 3 364.445 2.817 20 30 FFEDHM N#CCCN(C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1 ZINC000913299207 984229695 /nfs/dbraw/zinc/22/96/95/984229695.db2.gz IGRAEJWIJWAZLU-UHFFFAOYSA-N -1 3 364.361 2.773 20 30 FFEDHM N#CCCN(C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000913299207 984229699 /nfs/dbraw/zinc/22/96/99/984229699.db2.gz IGRAEJWIJWAZLU-UHFFFAOYSA-N -1 3 364.361 2.773 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC000992626665 987217960 /nfs/dbraw/zinc/21/79/60/987217960.db2.gz RWZSDZNOMWLNCZ-ONGXBYRLSA-N -1 3 356.466 2.915 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC000993208537 988484822 /nfs/dbraw/zinc/48/48/22/988484822.db2.gz NEWVUIWUSOTCQN-VFNWGFHPSA-N -1 3 356.466 2.915 20 30 FFEDHM COc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)c(OC)cc1[O-] ZINC000763107886 989041342 /nfs/dbraw/zinc/04/13/42/989041342.db2.gz YSPGLAOOOMHGPR-CMDGGOBGSA-N -1 3 351.362 2.886 20 30 FFEDHM Cc1[n-]n2c(nc3ccccc3c2=O)c1C=NN=c1[nH]c2ccccc2n1C ZINC000918712421 990478630 /nfs/dbraw/zinc/47/86/30/990478630.db2.gz NEMQKTYFASVGAQ-UHFFFAOYSA-N -1 3 371.404 2.817 20 30 FFEDHM N#Cc1c(Cl)c2cc(C(F)(F)F)ccc2nc1-n1[n-]c(=O)nc1CN ZINC001168760190 990556487 /nfs/dbraw/zinc/55/64/87/990556487.db2.gz BSYPYNXCORTWCI-UHFFFAOYSA-N -1 3 368.706 2.524 20 30 FFEDHM COc1cc(C(=O)/C=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1[O-] ZINC000920386645 990842086 /nfs/dbraw/zinc/84/20/86/990842086.db2.gz BKVSZIIJPROFHI-RQOWECAXSA-N -1 3 357.318 2.976 20 30 FFEDHM Cc1cc(F)ccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1 ZINC000179488280 991274138 /nfs/dbraw/zinc/27/41/38/991274138.db2.gz LGAAUGZOZOGUIP-HNNXBMFYSA-N -1 3 363.352 2.676 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)Nc2cnc(C(=O)OCC)[n-]2)cc1OC ZINC000763643809 992659193 /nfs/dbraw/zinc/65/91/93/992659193.db2.gz WBKMCNBHAXXLPR-CLFYSBASSA-N -1 3 371.393 2.812 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)Nc2c[n-]c(C(=O)OCC)n2)cc1OC ZINC000763643809 992659194 /nfs/dbraw/zinc/65/91/94/992659194.db2.gz WBKMCNBHAXXLPR-CLFYSBASSA-N -1 3 371.393 2.812 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000809701818 994584656 /nfs/dbraw/zinc/58/46/56/994584656.db2.gz LZVRDPFSHGOJPE-UHFFFAOYSA-N -1 3 362.382 2.973 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000811186540 995052470 /nfs/dbraw/zinc/05/24/70/995052470.db2.gz QHLBOPQXTOOARH-QGZVFWFLSA-N -1 3 354.337 2.755 20 30 FFEDHM CC(C)Oc1cccc(CNC(=O)COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811187817 995053501 /nfs/dbraw/zinc/05/35/01/995053501.db2.gz YZCQVEWNSQZVDG-UHFFFAOYSA-N -1 3 368.389 2.524 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cncc([O-])c2)c1 ZINC000731915895 998336732 /nfs/dbraw/zinc/33/67/32/998336732.db2.gz MNWGEKDBIGXREV-UHFFFAOYSA-N -1 3 353.378 2.508 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cncc([O-])c1 ZINC000732394731 998652482 /nfs/dbraw/zinc/65/24/82/998652482.db2.gz STGKUFRLXCRAMD-LBPRGKRZSA-N -1 3 371.418 2.977 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1Cc2ccccc2C(=O)O1 ZINC000845840625 998671933 /nfs/dbraw/zinc/67/19/33/998671933.db2.gz MXVLLBYLRJGWCC-QZTJIDSGSA-N -1 3 359.381 2.778 20 30 FFEDHM N#CC(C(=O)[C@H]1Cc2ccccc2C(=O)O1)=C([O-])C1(c2ccccc2)CC1 ZINC000845840625 998671938 /nfs/dbraw/zinc/67/19/38/998671938.db2.gz MXVLLBYLRJGWCC-QZTJIDSGSA-N -1 3 359.381 2.778 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(C/N=C\c2c([O-])c(C)ncc2CO)ccc1OC ZINC000733205486 998914729 /nfs/dbraw/zinc/91/47/29/998914729.db2.gz XLHJJGKIHPWHSJ-VBHHZLGVSA-N -1 3 369.421 2.897 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)nc2)cc1 ZINC000734080501 999196951 /nfs/dbraw/zinc/19/69/51/999196951.db2.gz UISQZJHITHSMGR-BLLLJJGKSA-N -1 3 352.394 2.960 20 30 FFEDHM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1 ZINC000735592940 999457253 /nfs/dbraw/zinc/45/72/53/999457253.db2.gz FRJQOCNJAGHWQI-INIZCTEOSA-N -1 3 359.389 2.791 20 30 FFEDHM O=C1CN(N=Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(=O)[N-]1 ZINC000744810415 999874636 /nfs/dbraw/zinc/87/46/36/999874636.db2.gz OWJXLUYRTJGLFN-UHFFFAOYSA-N -1 3 374.740 2.926 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@](C)(O)c1ccccc1 ZINC000846423679 1000301031 /nfs/dbraw/zinc/30/10/31/1000301031.db2.gz YONXMVZIGJXGSX-BTYIYWSLSA-N -1 3 367.449 2.621 20 30 FFEDHM CC(=O)Nc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769809430 1000609276 /nfs/dbraw/zinc/60/92/76/1000609276.db2.gz AVYSOVQQIDXHKZ-UHFFFAOYSA-N -1 3 367.413 2.691 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001146817091 1000760732 /nfs/dbraw/zinc/76/07/32/1000760732.db2.gz BZLPIQRTEMQFLV-UHFFFAOYSA-N -1 3 370.340 2.833 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2c([O-])cccc2O)ccc1OC ZINC000770408453 1000775392 /nfs/dbraw/zinc/77/53/92/1000775392.db2.gz LRPPLPCRWQKLRU-CYBMUJFWSA-N -1 3 356.378 2.717 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001276191266 1016500426 /nfs/dbraw/zinc/50/04/26/1016500426.db2.gz HPPIYWQEGZZXNK-CQSZACIVSA-N -1 3 350.409 2.965 20 30 FFEDHM C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001276199111 1016520247 /nfs/dbraw/zinc/52/02/47/1016520247.db2.gz DSMDJPDPCTUPMK-INIZCTEOSA-N -1 3 362.857 2.943 20 30 FFEDHM COc1cccc(-c2nn(C(C)(C)C)cc2C=NN=c2cc[n-]n2C)c1 ZINC000774409167 1001900552 /nfs/dbraw/zinc/90/05/52/1001900552.db2.gz AGIXSRCEZFBQLV-UHFFFAOYSA-N -1 3 352.442 2.915 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Br)cc(C2CCOCC2)c1 ZINC001171368579 1001946232 /nfs/dbraw/zinc/94/62/32/1001946232.db2.gz HPWJQLIVSQGGSI-BONVTDFDSA-N -1 3 369.259 2.991 20 30 FFEDHM C[C@H](C(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC001182792439 1002039425 /nfs/dbraw/zinc/03/94/25/1002039425.db2.gz FHOPTDHPAPKJKS-BBRMVZONSA-N -1 3 371.437 2.704 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(C#N)c(F)c1 ZINC000791303358 1002641510 /nfs/dbraw/zinc/64/15/10/1002641510.db2.gz WZNQNMXIKGCCRT-UHFFFAOYSA-N -1 3 353.353 2.963 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)c1 ZINC000793123238 1003277066 /nfs/dbraw/zinc/27/70/66/1003277066.db2.gz GQFREWFIKPFWNU-OAHLLOKOSA-N -1 3 350.378 2.535 20 30 FFEDHM COC(=O)c1cc(NN=Cc2cc(OC)c([O-])cc2[N+](=O)[O-])ccc1C ZINC000793096801 1003279637 /nfs/dbraw/zinc/27/96/37/1003279637.db2.gz ATBKIYVHGKNPDY-UHFFFAOYSA-N -1 3 359.338 2.850 20 30 FFEDHM C#Cc1cnc([N-]C(=O)c2c(F)c(F)c(CC=C)c(F)c2F)c(C#C)n1 ZINC001186713682 1003397445 /nfs/dbraw/zinc/39/74/45/1003397445.db2.gz RGTIGDQFPVECFT-UHFFFAOYSA-N -1 3 359.282 2.976 20 30 FFEDHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2F)cc1 ZINC001191619459 1003893375 /nfs/dbraw/zinc/89/33/75/1003893375.db2.gz MGIVATQCBWZOPQ-UHFFFAOYSA-N -1 3 367.789 2.511 20 30 FFEDHM O=C(NCCCc1c[n-][nH]c1=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001196714006 1003923943 /nfs/dbraw/zinc/92/39/43/1003923943.db2.gz IKSYYFRQUQPDSQ-OAHLLOKOSA-N -1 3 366.446 2.781 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001197482044 1004232883 /nfs/dbraw/zinc/23/28/83/1004232883.db2.gz QKRJDFROKWSKCQ-WKEGUHRASA-N -1 3 367.780 2.881 20 30 FFEDHM CCOC(=O)c1nc(Cl)nc(Cl)c1[N-]C(=O)c1ccc(C#N)o1 ZINC001192677367 1004235110 /nfs/dbraw/zinc/23/51/10/1004235110.db2.gz NLKVGKPLMITXNL-UHFFFAOYSA-N -1 3 355.137 2.677 20 30 FFEDHM COc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC000747335729 1004359434 /nfs/dbraw/zinc/35/94/34/1004359434.db2.gz FYZWCJDXGPZBNM-UHFFFAOYSA-N -1 3 351.406 2.671 20 30 FFEDHM C=CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193745947 1004573556 /nfs/dbraw/zinc/57/35/56/1004573556.db2.gz NWMRRYJHQWXKIX-NSHDSACASA-N -1 3 372.343 2.928 20 30 FFEDHM Nc1ccc(C=[NH+][N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000807967746 1004722716 /nfs/dbraw/zinc/72/27/16/1004722716.db2.gz BOXOEFIQYDESTN-UHFFFAOYSA-N -1 3 367.434 2.911 20 30 FFEDHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC001198710558 1004724175 /nfs/dbraw/zinc/72/41/75/1004724175.db2.gz WMSZFLMPVGGBDQ-JTQLQIEISA-N -1 3 351.815 2.655 20 30 FFEDHM CCOC(=O)c1cc(C#N)c([N-]C(=O)c2noc(Cl)c2C)c(C)c1O ZINC001199676331 1005004261 /nfs/dbraw/zinc/00/42/61/1005004261.db2.gz ZLRMYOKQOSAPFP-UHFFFAOYSA-N -1 3 363.757 2.951 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2noc(Cl)c2C)c(C)c1[O-] ZINC001199676331 1005004264 /nfs/dbraw/zinc/00/42/64/1005004264.db2.gz ZLRMYOKQOSAPFP-UHFFFAOYSA-N -1 3 363.757 2.951 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1C#N ZINC001201288070 1005188500 /nfs/dbraw/zinc/18/85/00/1005188500.db2.gz UUVRHACIDVSWCW-UHFFFAOYSA-N -1 3 357.435 2.504 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000776274708 1005340230 /nfs/dbraw/zinc/34/02/30/1005340230.db2.gz OIOOZBKLOREJEA-IBGZPJMESA-N -1 3 350.374 2.688 20 30 FFEDHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000776279691 1005345627 /nfs/dbraw/zinc/34/56/27/1005345627.db2.gz MNVFBQORIWKCQR-LBPRGKRZSA-N -1 3 354.362 2.840 20 30 FFEDHM Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1C ZINC000776280585 1005345792 /nfs/dbraw/zinc/34/57/92/1005345792.db2.gz UQVZWXIYXKBOJP-CQSZACIVSA-N -1 3 352.390 2.915 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)n(C)n1 ZINC001134374799 1006287753 /nfs/dbraw/zinc/28/77/53/1006287753.db2.gz NTKBLLMFXGSEOJ-UHFFFAOYSA-N -1 3 367.331 2.599 20 30 FFEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(F)c1)[C@@H](C)CC ZINC001189331388 1007028332 /nfs/dbraw/zinc/02/83/32/1007028332.db2.gz RGUMLWJXESCTNF-NHYWBVRUSA-N -1 3 361.410 2.528 20 30 FFEDHM Cc1cccc(COc2cccc(C(=O)N[C@@H]3CCCN([O-])C3=O)c2)c1 ZINC000816755568 1007192772 /nfs/dbraw/zinc/19/27/72/1007192772.db2.gz DDBFJADQXFUFNY-GOSISDBHSA-N -1 3 354.406 2.684 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C(=O)OC)c1ccccc1Br ZINC000855698138 1007506304 /nfs/dbraw/zinc/50/63/04/1007506304.db2.gz LLKQRMNTPBYKFJ-LLVKDONJSA-N -1 3 362.170 2.991 20 30 FFEDHM CC1(C)C[C@@H](C2([N-]S(=O)(=O)c3cc(C#N)ccc3F)CC2)CCO1 ZINC001190681763 1007747533 /nfs/dbraw/zinc/74/75/33/1007747533.db2.gz NAEPECJWUIJAFD-ZDUSSCGKSA-N -1 3 352.431 2.713 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3c2c(F)ccc3F)c1 ZINC001190682259 1007747833 /nfs/dbraw/zinc/74/78/33/1007747833.db2.gz YPQBTEGFCGKZIK-AWEZNQCLSA-N -1 3 352.337 2.941 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(OCC)cn2)c(C)c1[O-] ZINC001190789659 1007784939 /nfs/dbraw/zinc/78/49/39/1007784939.db2.gz CXIHZZQXTVGYJP-UHFFFAOYSA-N -1 3 369.377 2.795 20 30 FFEDHM CCc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c([N+](=O)[O-])c1 ZINC000115926193 1008320923 /nfs/dbraw/zinc/32/09/23/1008320923.db2.gz AGMGCWHMPVWUOV-UHFFFAOYSA-N -1 3 369.377 2.872 20 30 FFEDHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H]3CCCN([O-])C3=O)c2c1 ZINC000820483138 1008340305 /nfs/dbraw/zinc/34/03/05/1008340305.db2.gz ZPRPKKVXAMWZSK-MRXNPFEDSA-N -1 3 353.422 2.839 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CCC2(CCC2)O1 ZINC000886068942 1008530676 /nfs/dbraw/zinc/53/06/76/1008530676.db2.gz AWVWFKHGOYYQGA-OAHLLOKOSA-N -1 3 357.454 2.816 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1nn(-c2ccccc2)c2c1CCC2 ZINC000138936939 1008876942 /nfs/dbraw/zinc/87/69/42/1008876942.db2.gz DJSDHHJEXAUWNO-MRXNPFEDSA-N -1 3 371.400 2.717 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1N1CCOCC1 ZINC000794595832 1010433024 /nfs/dbraw/zinc/43/30/24/1010433024.db2.gz KSXHCQLHRZLWJY-UHFFFAOYSA-N -1 3 371.462 2.699 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C3CCCC3)n2)cc1 ZINC000121601183 1011056149 /nfs/dbraw/zinc/05/61/49/1011056149.db2.gz FFTNKPZDGIBAIC-INIZCTEOSA-N -1 3 352.394 2.968 20 30 FFEDHM C=CCOc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000646198195 1011795704 /nfs/dbraw/zinc/79/57/04/1011795704.db2.gz DQTVIKGWMHKKQL-ZIAGYGMSSA-N -1 3 369.421 2.745 20 30 FFEDHM CCO[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C1CCOCC1 ZINC000870454403 1012389317 /nfs/dbraw/zinc/38/93/17/1012389317.db2.gz JXYSKEZEOOYWRS-PKOBYXMFSA-N -1 3 355.434 2.828 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001275686155 1012854880 /nfs/dbraw/zinc/85/48/80/1012854880.db2.gz BLKXXHUEMUUDHD-INIZCTEOSA-N -1 3 362.857 2.980 20 30 FFEDHM COC(=O)CCN(CC#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000871342061 1012871616 /nfs/dbraw/zinc/87/16/16/1012871616.db2.gz HFXXGBLIDIKIJC-UHFFFAOYSA-N -1 3 352.390 2.512 20 30 FFEDHM C#CCCOc1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000827850735 1018784855 /nfs/dbraw/zinc/78/48/55/1018784855.db2.gz QNJOXJPORGIBNV-PBHICJAKSA-N -1 3 368.399 2.978 20 30 FFEDHM C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000827852919 1018788649 /nfs/dbraw/zinc/78/86/49/1018788649.db2.gz ZINHEDAYJDQGKZ-IOASZLSFSA-N -1 3 369.387 2.866 20 30 FFEDHM CCOC(=O)c1cnc([N-]N=C(C)c2c(C)nc3sccn32)nc1C ZINC001116499387 1021249099 /nfs/dbraw/zinc/24/90/99/1021249099.db2.gz HYENOUKIGMHCRT-UHFFFAOYSA-N -1 3 358.427 2.815 20 30 FFEDHM CCc1ccc(-c2nnc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)o2)cc1 ZINC001117193129 1021604686 /nfs/dbraw/zinc/60/46/86/1021604686.db2.gz AMPTXKVSHRGMSA-UHFFFAOYSA-N -1 3 368.418 2.538 20 30 FFEDHM O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1O[C@@H]1CNCC1(F)F ZINC001218235244 1033062709 /nfs/dbraw/zinc/06/27/09/1033062709.db2.gz KFHSHFISUYJEHD-BYVAAYKLSA-N -1 3 361.344 2.980 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(SC)CC1 ZINC001122483206 1023297921 /nfs/dbraw/zinc/29/79/21/1023297921.db2.gz VDSHNERFRUAGNX-UHFFFAOYSA-N -1 3 360.487 2.657 20 30 FFEDHM COCCCOc1cc(C)ccc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000755031434 1023557007 /nfs/dbraw/zinc/55/70/07/1023557007.db2.gz JGAJLOWBTUWYOR-CIAFOILYSA-N -1 3 358.438 2.931 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@H](CO)[C@H]3C)n2C)c1[O-] ZINC001121535692 1023833260 /nfs/dbraw/zinc/83/32/60/1023833260.db2.gz WDPKZKBVUUQZME-GDBMZVCRSA-N -1 3 356.470 2.904 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001121545696 1023840141 /nfs/dbraw/zinc/84/01/41/1023840141.db2.gz HIJMMQOYXMKMKH-HNNXBMFYSA-N -1 3 371.372 2.542 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1ncc(CC)s1 ZINC001121716969 1023943517 /nfs/dbraw/zinc/94/35/17/1023943517.db2.gz SXWNFFAUYDFYSF-UHFFFAOYSA-N -1 3 364.866 2.558 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1ncc(CC)s1 ZINC001121716969 1023943523 /nfs/dbraw/zinc/94/35/23/1023943523.db2.gz SXWNFFAUYDFYSF-UHFFFAOYSA-N -1 3 364.866 2.558 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@H](C)C3)n2CCOC)c1[O-] ZINC001122191518 1024419828 /nfs/dbraw/zinc/41/98/28/1024419828.db2.gz FMBCMCMTUJYZCF-OAHLLOKOSA-N -1 3 372.469 2.641 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000091923643 1027134135 /nfs/dbraw/zinc/13/41/35/1027134135.db2.gz NTWAUDYOKTUNCN-INIZCTEOSA-N -1 3 365.433 2.641 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@](C)(CO)c2ccccc2)n1 ZINC001160435352 1027706109 /nfs/dbraw/zinc/70/61/09/1027706109.db2.gz MNMZFBDWLHUMHI-LJZSXMKHSA-N -1 3 352.847 2.980 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3ccnn32)c(C)c1[O-] ZINC001153563294 1027928077 /nfs/dbraw/zinc/92/80/77/1027928077.db2.gz LABMRYQTPMMHOP-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM Nc1nccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC001161784619 1028313395 /nfs/dbraw/zinc/31/33/95/1028313395.db2.gz NUDPGWHGLYGJMP-UHFFFAOYSA-N -1 3 357.153 2.910 20 30 FFEDHM CCCC(=O)N1CSC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001161807449 1028322080 /nfs/dbraw/zinc/32/20/80/1028322080.db2.gz IYVSGXHAYGYJPF-INIZCTEOSA-N -1 3 350.484 2.929 20 30 FFEDHM NC(=NC(=O)c1[n-]nc2c1cccc2OC(F)(F)F)c1ccc(F)cn1 ZINC001156878967 1029388872 /nfs/dbraw/zinc/38/88/72/1029388872.db2.gz YLAJNKIVOLIYPP-UHFFFAOYSA-N -1 3 367.262 2.541 20 30 FFEDHM NC(=NC(=O)c1n[n-]c2c1cccc2OC(F)(F)F)c1ccc(F)cn1 ZINC001156878967 1029388888 /nfs/dbraw/zinc/38/88/88/1029388888.db2.gz YLAJNKIVOLIYPP-UHFFFAOYSA-N -1 3 367.262 2.541 20 30 FFEDHM Cc1nc(F)ccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000782152396 1029590666 /nfs/dbraw/zinc/59/06/66/1029590666.db2.gz OQSNLDLILCZXHS-CQSZACIVSA-N -1 3 371.397 2.804 20 30 FFEDHM CO[C@H]1Cc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2C1 ZINC000784235058 1030525876 /nfs/dbraw/zinc/52/58/76/1030525876.db2.gz GSJKXSBTCOFCER-KRWDZBQOSA-N -1 3 365.433 2.961 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc3c2OCC3)c(C)c1[O-] ZINC001149181795 1031452474 /nfs/dbraw/zinc/45/24/74/1031452474.db2.gz RJCQGNRMIKUCPP-UHFFFAOYSA-N -1 3 366.373 2.936 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnn3ccccc23)c(C)c1[O-] ZINC001149250824 1031468014 /nfs/dbraw/zinc/46/80/14/1031468014.db2.gz PIRIEHNLZINOIV-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccnc3[nH]ccc32)c(C)c1[O-] ZINC001150969868 1031828340 /nfs/dbraw/zinc/82/83/40/1031828340.db2.gz RVBLBZBNCMJHFF-UHFFFAOYSA-N -1 3 364.361 2.829 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2Oc2nccc(/C=N/[O-])n2)CC1 ZINC001226253932 1034594979 /nfs/dbraw/zinc/59/49/79/1034594979.db2.gz OLUDDMHLCLXSPQ-PVGUKEHMSA-N -1 3 362.430 2.843 20 30 FFEDHM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H](C1)N2C ZINC001227122297 1034940504 /nfs/dbraw/zinc/94/05/04/1034940504.db2.gz KQJVRBJCQWLBOU-VOGPDBBUSA-N -1 3 373.449 2.869 20 30 FFEDHM C#CCn1ccc(CN(CC)C(=O)c2c[n-]c3c(Cl)cccc3c2=O)n1 ZINC001139834132 1035247446 /nfs/dbraw/zinc/24/74/46/1035247446.db2.gz WXWRBFOCSNYXTK-UHFFFAOYSA-N -1 3 368.824 2.674 20 30 FFEDHM O=c1[nH]c2nc(O[C@H]3Cc4ccccc4C#Cc4ccccc43)nc-2c([O-])[nH]1 ZINC001227431593 1035551879 /nfs/dbraw/zinc/55/18/79/1035551879.db2.gz WRDPEDFXOVLDKC-INIZCTEOSA-N -1 3 370.368 2.840 20 30 FFEDHM C=CCOC(=O)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC001140555267 1035617602 /nfs/dbraw/zinc/61/76/02/1035617602.db2.gz AFOHHIHXIIJDLA-UHFFFAOYSA-N -1 3 355.232 2.595 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687458 1036258072 /nfs/dbraw/zinc/25/80/72/1036258072.db2.gz XFBSDLPFMFCXMQ-ZDUSSCGKSA-N -1 3 365.386 2.948 20 30 FFEDHM N#Cc1ccc(CN2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c([O-])c1 ZINC001233385659 1036583849 /nfs/dbraw/zinc/58/38/49/1036583849.db2.gz POHKLXNBZAEAJI-WBVHZDCISA-N -1 3 351.406 2.593 20 30 FFEDHM N#Cc1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c([O-])c1 ZINC001233385521 1036585176 /nfs/dbraw/zinc/58/51/76/1036585176.db2.gz LDBWBVLYFNNCLB-UHFFFAOYSA-N -1 3 362.355 3.000 20 30 FFEDHM N#Cc1ccc(CN2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c([O-])c1 ZINC001233384420 1036586204 /nfs/dbraw/zinc/58/62/04/1036586204.db2.gz VGPCRUQBARXFQZ-NRFANRHFSA-N -1 3 364.449 2.530 20 30 FFEDHM COC(=O)[C@@H]1C[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])CN1C ZINC001229938428 1036989760 /nfs/dbraw/zinc/98/97/60/1036989760.db2.gz WLQMQDYRXDCQSO-LLAWBURQSA-N -1 3 354.406 2.767 20 30 FFEDHM N#Cc1cccnc1N1CCC(Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234513079 1037068476 /nfs/dbraw/zinc/06/84/76/1037068476.db2.gz ICNQGRYOJVKCHB-UHFFFAOYSA-N -1 3 372.388 2.522 20 30 FFEDHM C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1 ZINC001231446505 1037585981 /nfs/dbraw/zinc/58/59/81/1037585981.db2.gz JRGONLWUQHWBTK-FQEVSTJZSA-N -1 3 374.437 2.701 20 30 FFEDHM C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1 ZINC001231446505 1037585997 /nfs/dbraw/zinc/58/59/97/1037585997.db2.gz JRGONLWUQHWBTK-FQEVSTJZSA-N -1 3 374.437 2.701 20 30 FFEDHM N#CCCCN1CCC2(CCN(Cc3c(F)cc([O-])cc3F)CC2)C1=O ZINC001276556702 1038051660 /nfs/dbraw/zinc/05/16/60/1038051660.db2.gz CDULHPZPTJVEJS-UHFFFAOYSA-N -1 3 363.408 2.789 20 30 FFEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236806567 1038282435 /nfs/dbraw/zinc/28/24/35/1038282435.db2.gz YLPQZEYIJQXTHK-LBPRGKRZSA-N -1 3 354.834 2.931 20 30 FFEDHM C=CCN1CC[C@]2(CCCN(Cc3cc(C(=O)[O-])ccc3F)CC2)C1=O ZINC001276611250 1038650375 /nfs/dbraw/zinc/65/03/75/1038650375.db2.gz JYWQLBVEADZKKR-HXUWFJFHSA-N -1 3 360.429 2.915 20 30 FFEDHM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259417083 1039986320 /nfs/dbraw/zinc/98/63/20/1039986320.db2.gz FPNXSFFYFXABKZ-UHFFFAOYSA-N -1 3 356.382 2.992 20 30 FFEDHM C=CCCC[N-]S(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC001260483266 1040618632 /nfs/dbraw/zinc/61/86/32/1040618632.db2.gz DNQUSHJCUYAPAT-UHFFFAOYSA-N -1 3 371.505 2.825 20 30 FFEDHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c1 ZINC001260809450 1040814162 /nfs/dbraw/zinc/81/41/62/1040814162.db2.gz JEBALGXKUYDWOQ-UHFFFAOYSA-N -1 3 351.334 2.596 20 30 FFEDHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)c1 ZINC001260811444 1040816848 /nfs/dbraw/zinc/81/68/48/1040816848.db2.gz RGKRBSLEBBAXJQ-UHFFFAOYSA-N -1 3 351.334 2.596 20 30 FFEDHM Cn1cc(CN2CCC23CN(Cc2cc(Cl)ccc2[O-])C3)cc1C#N ZINC001278569267 1041209574 /nfs/dbraw/zinc/20/95/74/1041209574.db2.gz TWXVOPQUYTXJIV-UHFFFAOYSA-N -1 3 356.857 2.716 20 30 FFEDHM N#CC[C@H]([N-]C(=O)C(=O)Nc1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC001262745268 1041827283 /nfs/dbraw/zinc/82/72/83/1041827283.db2.gz LVWWFWVXHKGLIQ-VIFPVBQESA-N -1 3 371.212 2.744 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001262990751 1042015074 /nfs/dbraw/zinc/01/50/74/1042015074.db2.gz NCPUUKOYFHEZNY-LLVKDONJSA-N -1 3 371.832 2.690 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001262990751 1042015077 /nfs/dbraw/zinc/01/50/77/1042015077.db2.gz NCPUUKOYFHEZNY-LLVKDONJSA-N -1 3 371.832 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)C[C@H](C)c1nccs1 ZINC001263316403 1042237275 /nfs/dbraw/zinc/23/72/75/1042237275.db2.gz SVQGQBOGBZMJEM-LBPRGKRZSA-N -1 3 371.470 2.713 20 30 FFEDHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccccc1C#Cc1ccccc1 ZINC001310394703 1043680303 /nfs/dbraw/zinc/68/03/03/1043680303.db2.gz ZLKDBKJGQYBWLY-SFHVURJKSA-N -1 3 360.417 2.720 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1nc(C(F)(F)F)n[n-]1 ZINC001310431718 1043687762 /nfs/dbraw/zinc/68/77/62/1043687762.db2.gz XQABDTJMXHDPST-ZETCQYMHSA-N -1 3 372.282 2.748 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCSCC3)n2CCOC)c1[O-] ZINC001341793099 1050406209 /nfs/dbraw/zinc/40/62/09/1050406209.db2.gz CQUFCGKYMFXUBU-UHFFFAOYSA-N -1 3 374.510 2.969 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCc2c(C)cccc2C1 ZINC001342130555 1050724806 /nfs/dbraw/zinc/72/48/06/1050724806.db2.gz WFVRDSJRDIEDHJ-UHFFFAOYSA-N -1 3 362.437 2.888 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(Cc2nccs2)CC1 ZINC001340380702 1050773626 /nfs/dbraw/zinc/77/36/26/1050773626.db2.gz VHHODLWYWGFTEY-UHFFFAOYSA-N -1 3 372.454 2.740 20 30 FFEDHM N#Cc1ccc(Nc2cccc(C(=O)NCCCc3c[n-][nH]c3=O)c2)cc1 ZINC001301562003 1050922063 /nfs/dbraw/zinc/92/20/63/1050922063.db2.gz QGFRIQLYVVKWJU-INIZCTEOSA-N -1 3 361.405 2.544 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001303256323 1051314525 /nfs/dbraw/zinc/31/45/25/1051314525.db2.gz GQZRSQWVQSUAOD-UHFFFAOYSA-N -1 3 367.405 2.789 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC)c1[O-] ZINC001342984003 1051599572 /nfs/dbraw/zinc/59/95/72/1051599572.db2.gz CNRZEVLDQSKBJS-UHFFFAOYSA-N -1 3 371.485 2.750 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001343287222 1052135989 /nfs/dbraw/zinc/13/59/89/1052135989.db2.gz IURDZTPSYFXYQV-HNNXBMFYSA-N -1 3 372.473 2.577 20 30 FFEDHM Cc1cn2nc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)cc2c(=O)[nH]1 ZINC001306893777 1052214430 /nfs/dbraw/zinc/21/44/30/1052214430.db2.gz PFWUWJRKNPNONI-UHFFFAOYSA-N -1 3 367.192 2.669 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(OC2CCC2)CC1 ZINC001343639977 1052350669 /nfs/dbraw/zinc/35/06/69/1052350669.db2.gz LGGZIJZNQIUKCF-UHFFFAOYSA-N -1 3 359.430 2.753 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccnc(N3CCCCC3)c2)cc1 ZINC001334736939 1053056271 /nfs/dbraw/zinc/05/62/71/1053056271.db2.gz DQHPVAGHJAGZNW-UHFFFAOYSA-N -1 3 356.451 2.939 20 30 FFEDHM CO[C@H](C[C@H](NCc1cc(C#N)ccc1Br)C(=O)[O-])C1CC1 ZINC001335194732 1053252517 /nfs/dbraw/zinc/25/25/17/1053252517.db2.gz ZWYVECIHSIJDIY-LSDHHAIUSA-N -1 3 367.243 2.679 20 30 FFEDHM C=C[C@H](CC(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001348175642 1054724569 /nfs/dbraw/zinc/72/45/69/1054724569.db2.gz GQUKTQZIWMEZFK-NVXWUHKLSA-N -1 3 352.438 2.545 20 30 FFEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)[C@@H](C)c1cccc(Cl)c1 ZINC001338723208 1055761106 /nfs/dbraw/zinc/76/11/06/1055761106.db2.gz NSOJQZFMNHAYAM-LBPRGKRZSA-N -1 3 372.864 2.613 20 30 FFEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)[C@@H](C)c1cccc(Cl)c1 ZINC001338723208 1055761114 /nfs/dbraw/zinc/76/11/14/1055761114.db2.gz NSOJQZFMNHAYAM-LBPRGKRZSA-N -1 3 372.864 2.613 20 30 FFEDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(C)(C#N)CC1 ZINC001338747606 1055780795 /nfs/dbraw/zinc/78/07/95/1055780795.db2.gz BQDCANJUKFWBDL-UHFFFAOYSA-N -1 3 354.439 2.927 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1cccc(C)c1 ZINC001339069577 1056064791 /nfs/dbraw/zinc/06/47/91/1056064791.db2.gz OULHAMZBNSVTLC-UHFFFAOYSA-N -1 3 350.426 2.880 20 30 FFEDHM CCc1cc(C#N)c([N-]C(=O)c2nc(S(C)(=O)=O)ccc2Cl)s1 ZINC001358293058 1056236054 /nfs/dbraw/zinc/23/60/54/1056236054.db2.gz ICEUPWRPDBLLKR-UHFFFAOYSA-N -1 3 369.855 2.886 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@H](COCC)C3)n2C)c1[O-] ZINC001339315328 1056321668 /nfs/dbraw/zinc/32/16/68/1056321668.db2.gz DWQBCZVKGLWOPT-INIZCTEOSA-N -1 3 372.469 2.548 20 30 FFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001451230106 1059095921 /nfs/dbraw/zinc/09/59/21/1059095921.db2.gz ZUVOIUIHZTUAOY-AWEZNQCLSA-N -1 3 350.357 2.717 20 30 FFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001451230106 1059095941 /nfs/dbraw/zinc/09/59/41/1059095941.db2.gz ZUVOIUIHZTUAOY-AWEZNQCLSA-N -1 3 350.357 2.717 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnn(C)c1OC ZINC001515357616 1059608862 /nfs/dbraw/zinc/60/88/62/1059608862.db2.gz HFSTXNORHIIGAL-AWEZNQCLSA-N -1 3 354.410 2.515 20 30 FFEDHM Cn1ccnc1[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC001475454783 1061098478 /nfs/dbraw/zinc/09/84/78/1061098478.db2.gz UGJZGVKYCXRDRE-CQSZACIVSA-N -1 3 372.475 2.616 20 30 FFEDHM O=C(Nc1cccc(COc2cccc(F)c2)c1)N[C@@H]1CCCN([O-])C1=O ZINC001475949116 1061317205 /nfs/dbraw/zinc/31/72/05/1061317205.db2.gz QXKGINYBZSZCPT-QGZVFWFLSA-N -1 3 373.384 2.906 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(Br)cc1[O-] ZINC001462412840 1061614543 /nfs/dbraw/zinc/61/45/43/1061614543.db2.gz VAUMVYVGXWKLJT-UHFFFAOYSA-N -1 3 354.244 2.932 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC001575190068 1078115545 /nfs/dbraw/zinc/11/55/45/1078115545.db2.gz QYSQHNWHOFZANX-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC001575190068 1078115548 /nfs/dbraw/zinc/11/55/48/1078115548.db2.gz QYSQHNWHOFZANX-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC001575298469 1078126784 /nfs/dbraw/zinc/12/67/84/1078126784.db2.gz SGXMNKGZBHJJDL-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC001575298469 1078126788 /nfs/dbraw/zinc/12/67/88/1078126788.db2.gz SGXMNKGZBHJJDL-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1cc(C#N)sc1[N+](=O)[O-] ZINC001472723074 1065135077 /nfs/dbraw/zinc/13/50/77/1065135077.db2.gz UXALHRQMZDCVPF-UHFFFAOYSA-N -1 3 370.387 2.651 20 30 FFEDHM C[C@H]1CC(=O)N(C)c2ccc(Nc3c(C#N)cccc3-c3nnn[n-]3)cc21 ZINC001575938986 1078179327 /nfs/dbraw/zinc/17/93/27/1078179327.db2.gz NZPCVLMIPDJGCE-NSHDSACASA-N -1 3 359.393 2.952 20 30 FFEDHM C[C@H]1CC(=O)N(C)c2ccc(Nc3c(C#N)cccc3-c3nn[n-]n3)cc21 ZINC001575938986 1078179329 /nfs/dbraw/zinc/17/93/29/1078179329.db2.gz NZPCVLMIPDJGCE-NSHDSACASA-N -1 3 359.393 2.952 20 30 FFEDHM CCCCCCCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001577505826 1078371217 /nfs/dbraw/zinc/37/12/17/1078371217.db2.gz NTPLNZMDLAIWTB-HNNXBMFYSA-N -1 3 371.489 2.707 20 30 FFEDHM CCCCCCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001577505826 1078371220 /nfs/dbraw/zinc/37/12/20/1078371220.db2.gz NTPLNZMDLAIWTB-HNNXBMFYSA-N -1 3 371.489 2.707 20 30 FFEDHM Cc1nc2c(cccc2NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001581532066 1078976240 /nfs/dbraw/zinc/97/62/40/1078976240.db2.gz SXGAQLZKTPCVBJ-AWEZNQCLSA-N -1 3 373.376 2.637 20 30 FFEDHM Cc1nc2c(cccc2NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001581532066 1078976247 /nfs/dbraw/zinc/97/62/47/1078976247.db2.gz SXGAQLZKTPCVBJ-AWEZNQCLSA-N -1 3 373.376 2.637 20 30 FFEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2cnccc21 ZINC001581857110 1079009171 /nfs/dbraw/zinc/00/91/71/1079009171.db2.gz PWBCZQVVKFGSKL-INIZCTEOSA-N -1 3 369.388 2.736 20 30 FFEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC001556243188 1075720048 /nfs/dbraw/zinc/72/00/48/1075720048.db2.gz KRWLBFHNJVHTJP-OAQYLSRUSA-N -1 3 361.401 2.698 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001556527664 1075749785 /nfs/dbraw/zinc/74/97/85/1075749785.db2.gz CWBMSOKATZPFSI-WDEREUQCSA-N -1 3 372.812 2.705 20 30 FFEDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCc1ccccc1 ZINC001557295383 1075835283 /nfs/dbraw/zinc/83/52/83/1075835283.db2.gz IYOULBMKDQZUKW-CYBMUJFWSA-N -1 3 358.344 2.898 20 30 FFEDHM C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001558573979 1076037483 /nfs/dbraw/zinc/03/74/83/1076037483.db2.gz SLCMQWNJCKHRJW-MRVPVSSYSA-N -1 3 355.345 2.665 20 30 FFEDHM O=C(Cc1cccc(Cl)c1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001559033045 1076118074 /nfs/dbraw/zinc/11/80/74/1076118074.db2.gz TVPNCBJXXRXYHI-UHFFFAOYSA-N -1 3 372.808 2.787 20 30 FFEDHM C[C@@H]1CC(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1 ZINC001559033138 1076118389 /nfs/dbraw/zinc/11/83/89/1076118389.db2.gz XERRMIWWHVUBQK-KBPBESRZSA-N -1 3 358.438 2.963 20 30 FFEDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001561479568 1076382612 /nfs/dbraw/zinc/38/26/12/1076382612.db2.gz GJSLVBGBDWDCBI-LLVKDONJSA-N -1 3 365.333 2.722 20 30 FFEDHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)N[C@@H]1CCCN([O-])C1=O ZINC001562465019 1076497465 /nfs/dbraw/zinc/49/74/65/1076497465.db2.gz SGTUOPZMHZDENL-MRXNPFEDSA-N -1 3 374.441 2.707 20 30 FFEDHM Cc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc(C)c1Br ZINC001562755853 1076515326 /nfs/dbraw/zinc/51/53/26/1076515326.db2.gz GWGAGWVLUAKVEI-NSHDSACASA-N -1 3 356.220 2.568 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001565301971 1076710791 /nfs/dbraw/zinc/71/07/91/1076710791.db2.gz FWLTZESHJSQCGV-UHFFFAOYSA-N -1 3 359.470 2.852 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001568117501 1077071931 /nfs/dbraw/zinc/07/19/31/1077071931.db2.gz QOLVIZFPIAUACQ-OAHLLOKOSA-N -1 3 358.829 2.653 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588335530 1079989057 /nfs/dbraw/zinc/98/90/57/1079989057.db2.gz QCMIMRBZYSFCBG-KBXCAEBGSA-N -1 3 364.453 2.689 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588335530 1079989060 /nfs/dbraw/zinc/98/90/60/1079989060.db2.gz QCMIMRBZYSFCBG-KBXCAEBGSA-N -1 3 364.453 2.689 20 30 FFEDHM C#CCN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC001588348573 1079992000 /nfs/dbraw/zinc/99/20/00/1079992000.db2.gz BTVVZYKDTXDMJK-UHFFFAOYSA-N -1 3 373.416 2.684 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588364521 1079994872 /nfs/dbraw/zinc/99/48/72/1079994872.db2.gz FHLSPTJVIBKOLQ-CKEIUWERSA-N -1 3 352.442 2.761 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588364521 1079994877 /nfs/dbraw/zinc/99/48/77/1079994877.db2.gz FHLSPTJVIBKOLQ-CKEIUWERSA-N -1 3 352.442 2.761 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588392708 1080004617 /nfs/dbraw/zinc/00/46/17/1080004617.db2.gz GXNPGDYXHUXNHT-KBPBESRZSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588392708 1080004628 /nfs/dbraw/zinc/00/46/28/1080004628.db2.gz GXNPGDYXHUXNHT-KBPBESRZSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588393781 1080004840 /nfs/dbraw/zinc/00/48/40/1080004840.db2.gz QSUWDTFTENYCKF-UHFFFAOYSA-N -1 3 355.442 2.839 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588392667 1080005453 /nfs/dbraw/zinc/00/54/53/1080005453.db2.gz FRFYGOBGAVUAGH-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588392667 1080005464 /nfs/dbraw/zinc/00/54/64/1080005464.db2.gz FRFYGOBGAVUAGH-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588395672 1080008775 /nfs/dbraw/zinc/00/87/75/1080008775.db2.gz ISPYVXJUMGJGOJ-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588395672 1080008784 /nfs/dbraw/zinc/00/87/84/1080008784.db2.gz ISPYVXJUMGJGOJ-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001588404734 1080012059 /nfs/dbraw/zinc/01/20/59/1080012059.db2.gz JWCGKJJNDIIXFF-CYBMUJFWSA-N -1 3 367.409 2.939 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC001588404734 1080012068 /nfs/dbraw/zinc/01/20/68/1080012068.db2.gz JWCGKJJNDIIXFF-CYBMUJFWSA-N -1 3 367.409 2.939 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001588419348 1080021123 /nfs/dbraw/zinc/02/11/23/1080021123.db2.gz FFOYGSLMVJWZHG-SNPRPXQTSA-N -1 3 370.432 2.588 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001588419348 1080021134 /nfs/dbraw/zinc/02/11/34/1080021134.db2.gz FFOYGSLMVJWZHG-SNPRPXQTSA-N -1 3 370.432 2.588 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001588419271 1080021271 /nfs/dbraw/zinc/02/12/71/1080021271.db2.gz BFMZEGZEWYJHNP-HUUCEWRRSA-N -1 3 373.436 2.596 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001588419271 1080021279 /nfs/dbraw/zinc/02/12/79/1080021279.db2.gz BFMZEGZEWYJHNP-HUUCEWRRSA-N -1 3 373.436 2.596 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)CN(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588461146 1080034887 /nfs/dbraw/zinc/03/48/87/1080034887.db2.gz KRFMXSJNNOFKSI-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)CN(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588461146 1080034897 /nfs/dbraw/zinc/03/48/97/1080034897.db2.gz KRFMXSJNNOFKSI-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1C ZINC001588480891 1080043848 /nfs/dbraw/zinc/04/38/48/1080043848.db2.gz FGXRTJBRYSAJPE-GXTWGEPZSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1C ZINC001588480891 1080043857 /nfs/dbraw/zinc/04/38/57/1080043857.db2.gz FGXRTJBRYSAJPE-GXTWGEPZSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC(C)(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588491088 1080051857 /nfs/dbraw/zinc/05/18/57/1080051857.db2.gz CQLXNOLGHVAOSJ-GOSISDBHSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC(C)(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588491088 1080051864 /nfs/dbraw/zinc/05/18/64/1080051864.db2.gz CQLXNOLGHVAOSJ-GOSISDBHSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588488170 1080052279 /nfs/dbraw/zinc/05/22/79/1080052279.db2.gz FLYCOQYTFFTQGF-UHFFFAOYSA-N -1 3 350.220 2.571 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588488170 1080052286 /nfs/dbraw/zinc/05/22/86/1080052286.db2.gz FLYCOQYTFFTQGF-UHFFFAOYSA-N -1 3 350.220 2.571 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588521465 1080073314 /nfs/dbraw/zinc/07/33/14/1080073314.db2.gz NTUGPESFXMQQOO-HUUCEWRRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588521465 1080073322 /nfs/dbraw/zinc/07/33/22/1080073322.db2.gz NTUGPESFXMQQOO-HUUCEWRRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588521532 1080074423 /nfs/dbraw/zinc/07/44/23/1080074423.db2.gz PDMNHZXFFOLWJT-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588521532 1080074431 /nfs/dbraw/zinc/07/44/31/1080074431.db2.gz PDMNHZXFFOLWJT-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588521976 1080075736 /nfs/dbraw/zinc/07/57/36/1080075736.db2.gz XFCUZAPFAGFQMV-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588521976 1080075742 /nfs/dbraw/zinc/07/57/42/1080075742.db2.gz XFCUZAPFAGFQMV-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588525464 1080077465 /nfs/dbraw/zinc/07/74/65/1080077465.db2.gz XXJCOLDIMHDYKQ-IJEWVQPXSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588525464 1080077475 /nfs/dbraw/zinc/07/74/75/1080077475.db2.gz XXJCOLDIMHDYKQ-IJEWVQPXSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC1(C(=O)OCC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588556794 1080094439 /nfs/dbraw/zinc/09/44/39/1080094439.db2.gz TWKAWRVFIQKDPZ-UHFFFAOYSA-N -1 3 354.410 2.658 20 30 FFEDHM C=CCC1(C(=O)OCC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588556794 1080094446 /nfs/dbraw/zinc/09/44/46/1080094446.db2.gz TWKAWRVFIQKDPZ-UHFFFAOYSA-N -1 3 354.410 2.658 20 30 FFEDHM C=CCC1(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CCC1 ZINC001588556627 1080094500 /nfs/dbraw/zinc/09/45/00/1080094500.db2.gz PFRXWFZLOQWICZ-UHFFFAOYSA-N -1 3 363.425 2.619 20 30 FFEDHM C=CCC1(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CCC1 ZINC001588556627 1080094508 /nfs/dbraw/zinc/09/45/08/1080094508.db2.gz PFRXWFZLOQWICZ-UHFFFAOYSA-N -1 3 363.425 2.619 20 30 FFEDHM C=CCCC(=O)N(CCC)[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588563156 1080097924 /nfs/dbraw/zinc/09/79/24/1080097924.db2.gz XTAZMOZAIGTAJQ-CQSZACIVSA-N -1 3 372.448 2.789 20 30 FFEDHM C=CCCC(=O)N(CCC)[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588563156 1080097932 /nfs/dbraw/zinc/09/79/32/1080097932.db2.gz XTAZMOZAIGTAJQ-CQSZACIVSA-N -1 3 372.448 2.789 20 30 FFEDHM C=CC[C@H]1CCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001588563831 1080100504 /nfs/dbraw/zinc/10/05/04/1080100504.db2.gz CIZGHOCLRMQAJR-ZDUSSCGKSA-N -1 3 365.393 2.829 20 30 FFEDHM C=CC[C@H]1CCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001588563831 1080100511 /nfs/dbraw/zinc/10/05/11/1080100511.db2.gz CIZGHOCLRMQAJR-ZDUSSCGKSA-N -1 3 365.393 2.829 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588586856 1080109886 /nfs/dbraw/zinc/10/98/86/1080109886.db2.gz OEJXHNIXNSTIQG-LSDHHAIUSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588586856 1080109890 /nfs/dbraw/zinc/10/98/90/1080109890.db2.gz OEJXHNIXNSTIQG-LSDHHAIUSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001588587962 1080110789 /nfs/dbraw/zinc/11/07/89/1080110789.db2.gz AUWSFDUQUXIIDK-JSGCOSHPSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001588587962 1080110793 /nfs/dbraw/zinc/11/07/93/1080110793.db2.gz AUWSFDUQUXIIDK-JSGCOSHPSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC[C@@H](C(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001588594972 1080116706 /nfs/dbraw/zinc/11/67/06/1080116706.db2.gz WXFZBUKGYYDIER-CQSZACIVSA-N -1 3 351.414 2.977 20 30 FFEDHM C=CCCCCCN(C)C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588594562 1080116886 /nfs/dbraw/zinc/11/68/86/1080116886.db2.gz WHZQJCXOUOJPLK-KRWDZBQOSA-N -1 3 354.458 2.722 20 30 FFEDHM C=CCCCCCN(C)C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588594562 1080116890 /nfs/dbraw/zinc/11/68/90/1080116890.db2.gz WHZQJCXOUOJPLK-KRWDZBQOSA-N -1 3 354.458 2.722 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588635552 1080130980 /nfs/dbraw/zinc/13/09/80/1080130980.db2.gz NJZYTVZVITVDSZ-UHFFFAOYSA-N -1 3 362.437 2.807 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588635552 1080130986 /nfs/dbraw/zinc/13/09/86/1080130986.db2.gz NJZYTVZVITVDSZ-UHFFFAOYSA-N -1 3 362.437 2.807 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001588642054 1080134459 /nfs/dbraw/zinc/13/44/59/1080134459.db2.gz RMTJFEQRQWBWHA-QDMKHBRRSA-N -1 3 374.395 2.608 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001588642054 1080134468 /nfs/dbraw/zinc/13/44/68/1080134468.db2.gz RMTJFEQRQWBWHA-QDMKHBRRSA-N -1 3 374.395 2.608 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ncc(C)s1 ZINC001588649591 1080139106 /nfs/dbraw/zinc/13/91/06/1080139106.db2.gz SUIOIOYSWRKAEF-UHFFFAOYSA-N -1 3 355.427 2.852 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ncc(C)s1 ZINC001588649591 1080139111 /nfs/dbraw/zinc/13/91/11/1080139111.db2.gz SUIOIOYSWRKAEF-UHFFFAOYSA-N -1 3 355.427 2.852 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)ncc1C ZINC001588649207 1080139726 /nfs/dbraw/zinc/13/97/26/1080139726.db2.gz KMXQZOYNBINRCY-UHFFFAOYSA-N -1 3 352.373 2.538 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)ncc1C ZINC001588649207 1080139730 /nfs/dbraw/zinc/13/97/30/1080139730.db2.gz KMXQZOYNBINRCY-UHFFFAOYSA-N -1 3 352.373 2.538 20 30 FFEDHM C=C[C@H](C(=O)[O-])N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001588663380 1080146731 /nfs/dbraw/zinc/14/67/31/1080146731.db2.gz MCUCFBOFXVWOHV-IJLUTSLNSA-N -1 3 366.380 2.651 20 30 FFEDHM C=C[C@H](N[C@H](C)c1ccc(Br)cc1OCCCO)C(=O)[O-] ZINC001588692447 1080158205 /nfs/dbraw/zinc/15/82/05/1080158205.db2.gz BTUBPTUJBCXDDH-MFKMUULPSA-N -1 3 358.232 2.500 20 30 FFEDHM C=CCc1ccc(OC(=O)c2cc(-c3nnn[n-]3)ccc2F)c(OC)c1 ZINC001588694856 1080159073 /nfs/dbraw/zinc/15/90/73/1080159073.db2.gz PSTINBPDMGPSSJ-UHFFFAOYSA-N -1 3 354.341 2.962 20 30 FFEDHM C=CCc1ccc(OC(=O)c2cc(-c3nn[n-]n3)ccc2F)c(OC)c1 ZINC001588694856 1080159076 /nfs/dbraw/zinc/15/90/76/1080159076.db2.gz PSTINBPDMGPSSJ-UHFFFAOYSA-N -1 3 354.341 2.962 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(C)CC1 ZINC001588700587 1080160704 /nfs/dbraw/zinc/16/07/04/1080160704.db2.gz TZXGGVSBHZAAMX-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(C)CC1 ZINC001588700587 1080160709 /nfs/dbraw/zinc/16/07/09/1080160709.db2.gz TZXGGVSBHZAAMX-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001588700833 1080161117 /nfs/dbraw/zinc/16/11/17/1080161117.db2.gz YRFPJFZUKZNJTI-ZDUSSCGKSA-N -1 3 364.457 2.936 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001588700833 1080161121 /nfs/dbraw/zinc/16/11/21/1080161121.db2.gz YRFPJFZUKZNJTI-ZDUSSCGKSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588725316 1080171507 /nfs/dbraw/zinc/17/15/07/1080171507.db2.gz AYWJTDHIWTVILT-JSGCOSHPSA-N -1 3 369.450 2.711 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588725316 1080171509 /nfs/dbraw/zinc/17/15/09/1080171509.db2.gz AYWJTDHIWTVILT-JSGCOSHPSA-N -1 3 369.450 2.711 20 30 FFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC001588781028 1080193519 /nfs/dbraw/zinc/19/35/19/1080193519.db2.gz YNPVGMYFTBRFLI-UHFFFAOYSA-N -1 3 359.296 2.889 20 30 FFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC001588781028 1080193521 /nfs/dbraw/zinc/19/35/21/1080193521.db2.gz YNPVGMYFTBRFLI-UHFFFAOYSA-N -1 3 359.296 2.889 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001589035889 1080317731 /nfs/dbraw/zinc/31/77/31/1080317731.db2.gz ADJJHXNWFLFFNZ-UHFFFAOYSA-N -1 3 364.384 2.737 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001589035889 1080317739 /nfs/dbraw/zinc/31/77/39/1080317739.db2.gz ADJJHXNWFLFFNZ-UHFFFAOYSA-N -1 3 364.384 2.737 20 30 FFEDHM CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589059103 1080330755 /nfs/dbraw/zinc/33/07/55/1080330755.db2.gz NBOSWLJWKVQFDL-IAQYHMDHSA-N -1 3 357.389 2.909 20 30 FFEDHM CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589059103 1080330763 /nfs/dbraw/zinc/33/07/63/1080330763.db2.gz NBOSWLJWKVQFDL-IAQYHMDHSA-N -1 3 357.389 2.909 20 30 FFEDHM CC(C)(C#N)c1ccc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001589557329 1080604917 /nfs/dbraw/zinc/60/49/17/1080604917.db2.gz BNXQZJNIGLTMIL-INIZCTEOSA-N -1 3 353.426 2.615 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1(C#N)CCCC1 ZINC001589618463 1080637604 /nfs/dbraw/zinc/63/76/04/1080637604.db2.gz JSCKHNWFWYMDLV-UHFFFAOYSA-N -1 3 352.442 2.935 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1(C#N)CCCC1 ZINC001589618463 1080637608 /nfs/dbraw/zinc/63/76/08/1080637608.db2.gz JSCKHNWFWYMDLV-UHFFFAOYSA-N -1 3 352.442 2.935 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)o1 ZINC001589624998 1080640478 /nfs/dbraw/zinc/64/04/78/1080640478.db2.gz XLOHDNVENJPDLW-UHFFFAOYSA-N -1 3 350.382 2.630 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)o1 ZINC001589624998 1080640482 /nfs/dbraw/zinc/64/04/82/1080640482.db2.gz XLOHDNVENJPDLW-UHFFFAOYSA-N -1 3 350.382 2.630 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC001589752987 1080704554 /nfs/dbraw/zinc/70/45/54/1080704554.db2.gz MXMPDYRMDAAUGK-UKRRQHHQSA-N -1 3 369.429 2.810 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC001589752987 1080704572 /nfs/dbraw/zinc/70/45/72/1080704572.db2.gz MXMPDYRMDAAUGK-UKRRQHHQSA-N -1 3 369.429 2.810 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC001589894453 1080841557 /nfs/dbraw/zinc/84/15/57/1080841557.db2.gz OOKXISACMOODRG-CXAGYDPISA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC001589894453 1080841560 /nfs/dbraw/zinc/84/15/60/1080841560.db2.gz OOKXISACMOODRG-CXAGYDPISA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589896206 1080842753 /nfs/dbraw/zinc/84/27/53/1080842753.db2.gz DNECJVKLQCCDFC-AWEZNQCLSA-N -1 3 360.421 2.576 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589896206 1080842756 /nfs/dbraw/zinc/84/27/56/1080842756.db2.gz DNECJVKLQCCDFC-AWEZNQCLSA-N -1 3 360.421 2.576 20 30 FFEDHM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589937532 1080881417 /nfs/dbraw/zinc/88/14/17/1080881417.db2.gz GFWNWPMSBDOSLR-OCBCSQNSSA-N -1 3 358.405 2.719 20 30 FFEDHM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589937532 1080881420 /nfs/dbraw/zinc/88/14/20/1080881420.db2.gz GFWNWPMSBDOSLR-OCBCSQNSSA-N -1 3 358.405 2.719 20 30 FFEDHM C[C@H](NN=Cc1cc(-c2nnn[n-]2)ccc1Br)C(F)(F)F ZINC001589976199 1080916599 /nfs/dbraw/zinc/91/65/99/1080916599.db2.gz KVOGWSMVBVUKMX-LURJTMIESA-N -1 3 363.141 2.504 20 30 FFEDHM C[C@H](NN=Cc1cc(-c2nn[n-]n2)ccc1Br)C(F)(F)F ZINC001589976199 1080916604 /nfs/dbraw/zinc/91/66/04/1080916604.db2.gz KVOGWSMVBVUKMX-LURJTMIESA-N -1 3 363.141 2.504 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nnc(-c2ccc(C#N)cc2)o1 ZINC001590023135 1080949361 /nfs/dbraw/zinc/94/93/61/1080949361.db2.gz KYIDVWKAGHKQCD-LLVKDONJSA-N -1 3 359.349 2.928 20 30 FFEDHM CC1(C#N)CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC001590056325 1080983803 /nfs/dbraw/zinc/98/38/03/1080983803.db2.gz HARLOUUKRLHZKC-UHFFFAOYSA-N -1 3 360.377 2.645 20 30 FFEDHM CC1(C#N)CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC001590056325 1080983805 /nfs/dbraw/zinc/98/38/05/1080983805.db2.gz HARLOUUKRLHZKC-UHFFFAOYSA-N -1 3 360.377 2.645 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCOC1CCCCC1 ZINC000011356086 249315041 /nfs/dbraw/zinc/31/50/41/249315041.db2.gz MPKCEYISLKZBJL-UHFFFAOYSA-N -1 3 359.470 2.652 20 30 FFEDHM Cc1nc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cs1 ZINC000264607071 251320774 /nfs/dbraw/zinc/32/07/74/251320774.db2.gz JBTQLRHAXJRJPP-UHFFFAOYSA-N -1 3 355.423 2.800 20 30 FFEDHM N#Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c2ccccc2n1 ZINC000301399635 258047250 /nfs/dbraw/zinc/04/72/50/258047250.db2.gz HZHFOYHCTXBTHJ-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM Cc1cccc(NC(=O)NCC(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000065880171 506385593 /nfs/dbraw/zinc/38/55/93/506385593.db2.gz CAAOGMAQTLFRCY-UHFFFAOYSA-N -1 3 351.370 2.585 20 30 FFEDHM Cc1cccc(NC(=O)NCC(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000065880171 506385594 /nfs/dbraw/zinc/38/55/94/506385594.db2.gz CAAOGMAQTLFRCY-UHFFFAOYSA-N -1 3 351.370 2.585 20 30 FFEDHM Cc1cccc(NC(=O)NCC(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000065880171 506385596 /nfs/dbraw/zinc/38/55/96/506385596.db2.gz CAAOGMAQTLFRCY-UHFFFAOYSA-N -1 3 351.370 2.585 20 30 FFEDHM N#Cc1ccccc1N1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000053514426 506395605 /nfs/dbraw/zinc/39/56/05/506395605.db2.gz FTUQIZANRKQZNA-UHFFFAOYSA-N -1 3 372.428 2.752 20 30 FFEDHM CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)[N-]C(C)C)[n+]2cccc([O-])c2)c1C ZINC000055009664 506658967 /nfs/dbraw/zinc/65/89/67/506658967.db2.gz NICACGKJMIJUGB-UHFFFAOYSA-O -1 3 374.486 2.764 20 30 FFEDHM CC(C)(C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1cccc([O-])c1 ZINC000055014308 506660675 /nfs/dbraw/zinc/66/06/75/506660675.db2.gz WJUORRCLIIKEBM-UHFFFAOYSA-O -1 3 373.454 2.735 20 30 FFEDHM Cc1nc(C)c(CC(=O)Nc2ccccc2S[C@H](C)CC#N)c(=O)[n-]1 ZINC000066856230 506670355 /nfs/dbraw/zinc/67/03/55/506670355.db2.gz PXWBMCGSDRULEN-LLVKDONJSA-N -1 3 356.451 2.962 20 30 FFEDHM N#CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000067686972 506975882 /nfs/dbraw/zinc/97/58/82/506975882.db2.gz VWOAUKOSFOTWHL-UHFFFAOYSA-N -1 3 373.409 2.755 20 30 FFEDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000063293480 507712174 /nfs/dbraw/zinc/71/21/74/507712174.db2.gz WFMIASHWSKWEDP-LBPRGKRZSA-N -1 3 356.430 2.739 20 30 FFEDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000063293480 507712178 /nfs/dbraw/zinc/71/21/78/507712178.db2.gz WFMIASHWSKWEDP-LBPRGKRZSA-N -1 3 356.430 2.739 20 30 FFEDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000063293480 507712179 /nfs/dbraw/zinc/71/21/79/507712179.db2.gz WFMIASHWSKWEDP-LBPRGKRZSA-N -1 3 356.430 2.739 20 30 FFEDHM Cc1ccnc2nc(C(=O)[N-]c3ccccc3SC[C@H](C)C#N)nn21 ZINC000108237638 507882300 /nfs/dbraw/zinc/88/23/00/507882300.db2.gz AZXFKKHBWUPQEU-LLVKDONJSA-N -1 3 352.423 2.937 20 30 FFEDHM CCc1nc([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000110503324 508031117 /nfs/dbraw/zinc/03/11/17/508031117.db2.gz WFXUGBLPOOOJLU-GFCCVEGCSA-N -1 3 358.467 2.692 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000092315576 508060720 /nfs/dbraw/zinc/06/07/20/508060720.db2.gz XJHVVFMGTPXWII-UHFFFAOYSA-N -1 3 370.540 2.535 20 30 FFEDHM CC[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000075681700 508128124 /nfs/dbraw/zinc/12/81/24/508128124.db2.gz VVQJAGOHTKMGCV-KRWDZBQOSA-N -1 3 351.450 2.934 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000156408422 508416014 /nfs/dbraw/zinc/41/60/14/508416014.db2.gz SNRJBUFTIKWMJP-UHFFFAOYSA-N -1 3 359.407 2.723 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(C#N)[nH]2)c(F)cc1F ZINC000122129244 508486120 /nfs/dbraw/zinc/48/61/20/508486120.db2.gz UYKFDLUUPCBDIB-UHFFFAOYSA-N -1 3 368.365 2.569 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000116857654 508568469 /nfs/dbraw/zinc/56/84/69/508568469.db2.gz JAODMBMDABIQAB-NSHDSACASA-N -1 3 351.403 2.649 20 30 FFEDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)sc1C ZINC000157780932 508610672 /nfs/dbraw/zinc/61/06/72/508610672.db2.gz BYMKJHGFCUZOCJ-UHFFFAOYSA-N -1 3 353.444 2.984 20 30 FFEDHM CSCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000128817990 508647318 /nfs/dbraw/zinc/64/73/18/508647318.db2.gz BHJQIGFXRYAZIY-UHFFFAOYSA-N -1 3 352.403 2.999 20 30 FFEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137275153 508748950 /nfs/dbraw/zinc/74/89/50/508748950.db2.gz CTTQINSBOLBSBU-UHFFFAOYSA-N -1 3 363.826 2.681 20 30 FFEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1cnccn1 ZINC000123986873 508767688 /nfs/dbraw/zinc/76/76/88/508767688.db2.gz ZIBPAUIVBYKOJL-LLVKDONJSA-N -1 3 355.427 2.578 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@@H](C)c1ccccc1 ZINC000124423065 508829351 /nfs/dbraw/zinc/82/93/51/508829351.db2.gz FFVPABZGOHNFPD-OLZOCXBDSA-N -1 3 359.407 2.937 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)COCc1ccccc1 ZINC000151097364 508955672 /nfs/dbraw/zinc/95/56/72/508955672.db2.gz ZXJGBIZNZBKTDJ-CQSZACIVSA-N -1 3 362.426 2.829 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c(F)c1 ZINC000151200503 508976868 /nfs/dbraw/zinc/97/68/68/508976868.db2.gz VVPSKNTYSPXHGS-QMTHXVAHSA-N -1 3 352.337 2.810 20 30 FFEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1c(C)noc1C ZINC000160705232 509022702 /nfs/dbraw/zinc/02/27/02/509022702.db2.gz GEGVZYCRBVMQII-INIZCTEOSA-N -1 3 356.426 2.668 20 30 FFEDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121189866 509147667 /nfs/dbraw/zinc/14/76/67/509147667.db2.gz BAAOKHHIJFFRHH-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM CC[C@H]1Oc2cc([C@H](C)/N=C/c3c([O-])c(C)ncc3CO)ccc2NC1=O ZINC000266774185 509187198 /nfs/dbraw/zinc/18/71/98/509187198.db2.gz YYZDTHHUIXIIBM-MCZXOURWSA-N -1 3 369.421 2.878 20 30 FFEDHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185508585 509213179 /nfs/dbraw/zinc/21/31/79/509213179.db2.gz HYKQRQUGIIGLRY-UHFFFAOYSA-N -1 3 366.874 2.548 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC000185617059 509267345 /nfs/dbraw/zinc/26/73/45/509267345.db2.gz KRWHVDLBCWUMAD-LLVKDONJSA-N -1 3 369.396 2.749 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000163356012 509366437 /nfs/dbraw/zinc/36/64/37/509366437.db2.gz DVOIUCXHEAULOT-UHFFFAOYSA-N -1 3 354.291 2.690 20 30 FFEDHM CCn1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C1CC1 ZINC000267447949 509488355 /nfs/dbraw/zinc/48/83/55/509488355.db2.gz ZJHJHZGMOOTNCF-UHFFFAOYSA-N -1 3 353.426 2.941 20 30 FFEDHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000192561303 509554307 /nfs/dbraw/zinc/55/43/07/509554307.db2.gz RITRPXDEEODWQD-OAHLLOKOSA-N -1 3 374.448 2.794 20 30 FFEDHM Cc1csc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)n1 ZINC000173409450 509580321 /nfs/dbraw/zinc/58/03/21/509580321.db2.gz ORLZAZQXWKPFOL-QGZVFWFLSA-N -1 3 370.478 2.828 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000165803509 509585126 /nfs/dbraw/zinc/58/51/26/509585126.db2.gz PZBNXAITNULMKN-QMMMGPOBSA-N -1 3 353.391 2.836 20 30 FFEDHM CN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1(C#N)CCC1 ZINC000179978260 509698396 /nfs/dbraw/zinc/69/83/96/509698396.db2.gz JBEVCVXIXZPRJM-UHFFFAOYSA-N -1 3 370.434 2.548 20 30 FFEDHM N#Cc1ccc(CN2CCCN(C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000176988343 509803676 /nfs/dbraw/zinc/80/36/76/509803676.db2.gz SZYIASQSPGXFON-UHFFFAOYSA-N -1 3 353.397 2.751 20 30 FFEDHM C[C@H](CC#N)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183515758 509836124 /nfs/dbraw/zinc/83/61/24/509836124.db2.gz SDLHVCUCLYYLKQ-RDTXWAMCSA-N -1 3 351.406 2.672 20 30 FFEDHM C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000186851074 509913238 /nfs/dbraw/zinc/91/32/38/509913238.db2.gz HKWIPWNDPNIXGH-UHFFFAOYSA-N -1 3 361.467 2.583 20 30 FFEDHM C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000186851074 509913243 /nfs/dbraw/zinc/91/32/43/509913243.db2.gz HKWIPWNDPNIXGH-UHFFFAOYSA-N -1 3 361.467 2.583 20 30 FFEDHM Cc1nc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000186998469 509995758 /nfs/dbraw/zinc/99/57/58/509995758.db2.gz ULZXITJDVUJLLZ-QGZVFWFLSA-N -1 3 370.478 2.925 20 30 FFEDHM Cc1ccc(CN(C)C)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000177332569 510000465 /nfs/dbraw/zinc/00/04/65/510000465.db2.gz FATWJQFXUVDICK-UHFFFAOYSA-N -1 3 366.465 2.805 20 30 FFEDHM CC[C@@H](CC#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000183843632 510003549 /nfs/dbraw/zinc/00/35/49/510003549.db2.gz PPMVDOGDZNPNRK-LBPRGKRZSA-N -1 3 371.890 2.839 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1ccc(O)cc1 ZINC000265445496 510059290 /nfs/dbraw/zinc/05/92/90/510059290.db2.gz JMQILXJEYZCVBX-UHFFFAOYSA-N -1 3 353.422 2.663 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000190864249 510380567 /nfs/dbraw/zinc/38/05/67/510380567.db2.gz XDQOWHWZWNFBET-AAEUAGOBSA-N -1 3 360.863 2.724 20 30 FFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194788916 510527843 /nfs/dbraw/zinc/52/78/43/510527843.db2.gz YLRHYVSOLSHJBL-SSDOTTSWSA-N -1 3 371.178 2.906 20 30 FFEDHM N#Cc1ccc(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000178345400 510557309 /nfs/dbraw/zinc/55/73/09/510557309.db2.gz SLVCPFWJNROHGC-UHFFFAOYSA-N -1 3 363.417 2.684 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1-n1cccn1 ZINC000178526194 510647300 /nfs/dbraw/zinc/64/73/00/510647300.db2.gz DHIVKZUDGNMTFG-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCCCC#N ZINC000178535965 510650720 /nfs/dbraw/zinc/65/07/20/510650720.db2.gz XEPINMGDRWWAAT-UHFFFAOYSA-N -1 3 352.437 2.660 20 30 FFEDHM Cc1noc2ncc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc12 ZINC000263694084 510794664 /nfs/dbraw/zinc/79/46/64/510794664.db2.gz JAJMIROMXYTPCL-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C[C@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)C[C@H](C)O1 ZINC000188616840 510844658 /nfs/dbraw/zinc/84/46/58/510844658.db2.gz LCUHBSKCIAPISP-HOTGVXAUSA-N -1 3 371.481 2.615 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)[C@H]1OCCc2sccc21 ZINC000330205531 510938145 /nfs/dbraw/zinc/93/81/45/510938145.db2.gz DNNDJUBLYNRDGB-IUODEOHRSA-N -1 3 354.497 2.754 20 30 FFEDHM C=CC[C@@H]1N(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCCC1(C)C ZINC000278231271 510985057 /nfs/dbraw/zinc/98/50/57/510985057.db2.gz VICWBFPWYUYDJF-KKSFZXQISA-N -1 3 369.465 2.948 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)[C@]2(C#N)CC23CCCC3)ccc1F ZINC000294276711 511011054 /nfs/dbraw/zinc/01/10/54/511011054.db2.gz DPIOLZZUEXPEBM-MRXNPFEDSA-N -1 3 351.403 2.610 20 30 FFEDHM CC[C@@H]1CCCCN1CCNC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000330737087 511012844 /nfs/dbraw/zinc/01/28/44/511012844.db2.gz NSVGSWOUCILLMY-OAHLLOKOSA-N -1 3 367.515 2.936 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000270972845 511043491 /nfs/dbraw/zinc/04/34/91/511043491.db2.gz UCWBHLSLDHYBCN-DOTOQJQBSA-N -1 3 355.438 2.569 20 30 FFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000290899145 511152720 /nfs/dbraw/zinc/15/27/20/511152720.db2.gz DYLWTTDSJTWHKS-LBPRGKRZSA-N -1 3 363.317 2.584 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3noc(C4CC4)n3)CCCC2)s1 ZINC000333277355 511186537 /nfs/dbraw/zinc/18/65/37/511186537.db2.gz OQWKSJSJUYUVMY-UHFFFAOYSA-N -1 3 364.452 2.628 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(NC(=O)C3CCC3)c2)c1[O-] ZINC000298309506 511241016 /nfs/dbraw/zinc/24/10/16/511241016.db2.gz OWMGSEVJKVLZDK-SRZZPIQSSA-N -1 3 353.422 2.946 20 30 FFEDHM C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000291709902 511306970 /nfs/dbraw/zinc/30/69/70/511306970.db2.gz GHHJQDZPUSDGSZ-CYBMUJFWSA-N -1 3 355.460 2.592 20 30 FFEDHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000280059305 511319992 /nfs/dbraw/zinc/31/99/92/511319992.db2.gz YYRQGYANKQMGQI-OAHLLOKOSA-N -1 3 371.462 2.779 20 30 FFEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000272617868 511501029 /nfs/dbraw/zinc/50/10/29/511501029.db2.gz PVDMSRSFLYQZAU-OAHLLOKOSA-N -1 3 355.460 2.968 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000274278886 511778202 /nfs/dbraw/zinc/77/82/02/511778202.db2.gz BPCJLXIOGXHXCJ-HNNXBMFYSA-N -1 3 358.847 2.733 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000281260742 511779772 /nfs/dbraw/zinc/77/97/72/511779772.db2.gz GWUAXWOVYZNVQG-CYBMUJFWSA-N -1 3 371.528 2.555 20 30 FFEDHM O=C([N-]c1nncn1-c1ccccc1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329129219 511988930 /nfs/dbraw/zinc/98/89/30/511988930.db2.gz ZZBSQOSTUWNNCP-OAHLLOKOSA-N -1 3 371.466 2.947 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c2c(nn1C)CCCC2 ZINC000329573259 512071484 /nfs/dbraw/zinc/07/14/84/512071484.db2.gz AIHPMVYVXZYPPQ-UHFFFAOYSA-N -1 3 367.453 2.977 20 30 FFEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(=O)N1CCC(F)(F)C1 ZINC000411351907 512593677 /nfs/dbraw/zinc/59/36/77/512593677.db2.gz LCHQBYSZCOMVHB-JTQLQIEISA-N -1 3 372.240 2.552 20 30 FFEDHM C[C@@H](NC(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(C)(F)F ZINC000411571757 512696624 /nfs/dbraw/zinc/69/66/24/512696624.db2.gz HLAIORZOAHQNDH-LHLIQPBNSA-N -1 3 374.256 2.844 20 30 FFEDHM Cc1ccc2[n-]cc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)c(=O)c2c1 ZINC000376399394 512801583 /nfs/dbraw/zinc/80/15/83/512801583.db2.gz ZPOLHCGYLAMVLN-HXUWFJFHSA-N -1 3 373.412 2.922 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000374606287 512913445 /nfs/dbraw/zinc/91/34/45/512913445.db2.gz AZEUQYMHRYRQOK-MRXNPFEDSA-N -1 3 365.433 2.718 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000376925336 513052831 /nfs/dbraw/zinc/05/28/31/513052831.db2.gz DBMOYGGEFILOCS-UHFFFAOYSA-N -1 3 363.512 2.851 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c[nH]nc1-c1nccs1 ZINC000446590244 513288994 /nfs/dbraw/zinc/28/89/94/513288994.db2.gz NUGSHHPOBPDMIX-UHFFFAOYSA-N -1 3 368.422 2.694 20 30 FFEDHM COCCOc1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429568966 513412507 /nfs/dbraw/zinc/41/25/07/513412507.db2.gz PQYYETKMSNJMGZ-OAHLLOKOSA-N -1 3 350.378 2.782 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000425178548 513439148 /nfs/dbraw/zinc/43/91/48/513439148.db2.gz LMXXPTCFJKJFNI-UWVGGRQHSA-N -1 3 366.266 2.871 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000425335250 513518558 /nfs/dbraw/zinc/51/85/58/513518558.db2.gz ZLIOCUICSKDDNU-APWZRJJASA-N -1 3 365.433 2.543 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCSCc2ccccc2F)s1 ZINC000435425021 513579351 /nfs/dbraw/zinc/57/93/51/513579351.db2.gz BBYYXFWAYROVCE-UHFFFAOYSA-N -1 3 356.469 2.971 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000435430843 513582927 /nfs/dbraw/zinc/58/29/27/513582927.db2.gz ALQYPPGQIQFNRC-CYBMUJFWSA-N -1 3 356.856 2.939 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000435434871 513586563 /nfs/dbraw/zinc/58/65/63/513586563.db2.gz VCUJDVAQVGVORL-UHFFFAOYSA-N -1 3 362.354 2.997 20 30 FFEDHM CCCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435435555 513586928 /nfs/dbraw/zinc/58/69/28/513586928.db2.gz YNKPINZWZSXGPB-UHFFFAOYSA-N -1 3 350.465 2.930 20 30 FFEDHM CC[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435446568 513593741 /nfs/dbraw/zinc/59/37/41/513593741.db2.gz KPAHDPDNJTWHBD-CYBMUJFWSA-N -1 3 355.529 2.799 20 30 FFEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)s1 ZINC000451273849 513644851 /nfs/dbraw/zinc/64/48/51/513644851.db2.gz WMFBHWUCKAZFRE-UHFFFAOYSA-N -1 3 355.872 2.903 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(F)cc1F ZINC000435751062 513675803 /nfs/dbraw/zinc/67/58/03/513675803.db2.gz DVWGVVOUOPIUKS-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-n3cnnn3)cc2)s1 ZINC000430652934 513713787 /nfs/dbraw/zinc/71/37/87/513713787.db2.gz YIQNWWFYDUPJJT-ZDUSSCGKSA-N -1 3 352.423 2.906 20 30 FFEDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416465111 513786798 /nfs/dbraw/zinc/78/67/98/513786798.db2.gz KOBCXUREWKKWGS-SSDOTTSWSA-N -1 3 371.178 2.940 20 30 FFEDHM C=CCn1c(S[C@@H](Cc2ccc(F)c(F)c2F)C(C)=O)n[n-]c1=O ZINC000436212290 513796294 /nfs/dbraw/zinc/79/62/94/513796294.db2.gz UQJNXUXCWVAUDF-NSHDSACASA-N -1 3 357.357 2.879 20 30 FFEDHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000416522054 513815418 /nfs/dbraw/zinc/81/54/18/513815418.db2.gz ITGFTLZAKFFWOT-UHFFFAOYSA-N -1 3 370.858 2.735 20 30 FFEDHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443019149 513843803 /nfs/dbraw/zinc/84/38/03/513843803.db2.gz CWWOCSBACZAUPN-LLVKDONJSA-N -1 3 352.362 2.582 20 30 FFEDHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000416576289 513843765 /nfs/dbraw/zinc/84/37/65/513843765.db2.gz DBHSAFZSXBSTGS-JTQLQIEISA-N -1 3 350.362 2.528 20 30 FFEDHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000443020997 513845703 /nfs/dbraw/zinc/84/57/03/513845703.db2.gz GGLZJDVXIXJAFK-UHFFFAOYSA-N -1 3 368.846 2.629 20 30 FFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1Cl ZINC000431176288 513846002 /nfs/dbraw/zinc/84/60/02/513846002.db2.gz TZHMWLBXSKCCDB-UHFFFAOYSA-N -1 3 365.798 2.503 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000443369180 513951485 /nfs/dbraw/zinc/95/14/85/513951485.db2.gz YYHVTGBZNODLKO-AWEZNQCLSA-N -1 3 370.446 2.732 20 30 FFEDHM CCNc1ccc(C#N)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436753580 513968795 /nfs/dbraw/zinc/96/87/95/513968795.db2.gz FLQBXMXEZLMXMP-UHFFFAOYSA-N -1 3 366.421 2.763 20 30 FFEDHM COC(=O)c1ccc(C)c(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1[O-] ZINC000436870214 514016603 /nfs/dbraw/zinc/01/66/03/514016603.db2.gz GXFWIJDZNBFGGX-UHFFFAOYSA-N -1 3 353.378 2.677 20 30 FFEDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)CC1 ZINC000414387788 514086043 /nfs/dbraw/zinc/08/60/43/514086043.db2.gz WXTRDXQPODTNHZ-UHFFFAOYSA-N -1 3 356.831 2.634 20 30 FFEDHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000443990736 514092562 /nfs/dbraw/zinc/09/25/62/514092562.db2.gz OVWVTXKWBVDISH-UHFFFAOYSA-N -1 3 355.891 2.612 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444019565 514102455 /nfs/dbraw/zinc/10/24/55/514102455.db2.gz CBXFWEFWZMAZHN-SECBINFHSA-N -1 3 353.300 2.658 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000452025264 514144021 /nfs/dbraw/zinc/14/40/21/514144021.db2.gz QWTDDCZRURNBDF-SECBINFHSA-N -1 3 354.255 2.607 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cccc(C(F)(F)F)n1 ZINC000432306741 514153721 /nfs/dbraw/zinc/15/37/21/514153721.db2.gz NITCUCPRHXMSEF-UHFFFAOYSA-N -1 3 373.331 2.632 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cnc1C ZINC000427267589 514166373 /nfs/dbraw/zinc/16/63/73/514166373.db2.gz PTEHERHCFZEBKM-UHFFFAOYSA-N -1 3 365.798 2.503 20 30 FFEDHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(F)c1 ZINC000427766640 514308553 /nfs/dbraw/zinc/30/85/53/514308553.db2.gz XSBOXBVHXDMNTO-UHFFFAOYSA-N -1 3 351.334 2.543 20 30 FFEDHM C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000427786413 514314471 /nfs/dbraw/zinc/31/44/71/514314471.db2.gz TUPAQDKEZRVMAO-UHFFFAOYSA-N -1 3 372.512 2.569 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(OC(F)F)c1 ZINC000428266366 514437503 /nfs/dbraw/zinc/43/75/03/514437503.db2.gz KNCHHMFGMPHKQZ-SNVBAGLBSA-N -1 3 353.350 2.594 20 30 FFEDHM Cc1ccccc1O[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428383219 514462519 /nfs/dbraw/zinc/46/25/19/514462519.db2.gz UPAQUNNEWCFWBY-QAPCUYQASA-N -1 3 371.462 2.930 20 30 FFEDHM N#Cc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c(Cl)c1 ZINC000439433503 514552006 /nfs/dbraw/zinc/55/20/06/514552006.db2.gz QKSCIZNIZQBOMZ-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1c[n-]nc1-c1ccccc1 ZINC000461722790 514705453 /nfs/dbraw/zinc/70/54/53/514705453.db2.gz HKCCQYXVDDLGFA-UHFFFAOYSA-N -1 3 369.388 2.512 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000489215905 514756053 /nfs/dbraw/zinc/75/60/53/514756053.db2.gz GKUDXIGJNLVYMK-CQSZACIVSA-N -1 3 350.444 2.714 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)c1 ZINC000502835995 514801173 /nfs/dbraw/zinc/80/11/73/514801173.db2.gz LGKNYRDVFMMEDY-UHFFFAOYSA-N -1 3 361.423 2.660 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000480087705 514837363 /nfs/dbraw/zinc/83/73/63/514837363.db2.gz YDUDQRRNDJTRHR-QWHCGFSZSA-N -1 3 357.439 2.886 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489685162 514937480 /nfs/dbraw/zinc/93/74/80/514937480.db2.gz URQNHQFVDBYGAD-UHFFFAOYSA-N -1 3 357.325 2.595 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)cc1Br ZINC000480427455 514955133 /nfs/dbraw/zinc/95/51/33/514955133.db2.gz REBWILKCXAVVSI-UHFFFAOYSA-N -1 3 365.199 2.644 20 30 FFEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCC[C@H]1C ZINC000489758787 514962812 /nfs/dbraw/zinc/96/28/12/514962812.db2.gz IADSMQUMCGTQIT-FZKQIMNGSA-N -1 3 359.470 2.872 20 30 FFEDHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476316909 515000081 /nfs/dbraw/zinc/00/00/81/515000081.db2.gz DALOEOMDSRJLQE-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc([O-])ccc3Cl)C2=O)cc1 ZINC000498695389 515028423 /nfs/dbraw/zinc/02/84/23/515028423.db2.gz NCCJXYJOVGGLJQ-KRWDZBQOSA-N -1 3 369.808 2.843 20 30 FFEDHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000480751697 515070365 /nfs/dbraw/zinc/07/03/65/515070365.db2.gz WBXOWRXOSARXRR-NSHDSACASA-N -1 3 358.847 2.610 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cs1 ZINC000503727197 515129901 /nfs/dbraw/zinc/12/99/01/515129901.db2.gz NICZBEVZHLUCOC-SECBINFHSA-N -1 3 371.871 2.854 20 30 FFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000493412672 515629275 /nfs/dbraw/zinc/62/92/75/515629275.db2.gz NMBCAEGSMNZSLO-HNNXBMFYSA-N -1 3 371.886 2.980 20 30 FFEDHM C=CCCCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000473774310 515749265 /nfs/dbraw/zinc/74/92/65/515749265.db2.gz SCTXALHEAZUORV-UHFFFAOYSA-N -1 3 355.435 2.744 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1C ZINC000495298786 516130731 /nfs/dbraw/zinc/13/07/31/516130731.db2.gz GPOBQRRYPLGVEL-JTQLQIEISA-N -1 3 351.284 2.716 20 30 FFEDHM COC(=O)c1cnc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cn1 ZINC000502137617 516309359 /nfs/dbraw/zinc/30/93/59/516309359.db2.gz IZFVICQGCDLZMQ-NSHDSACASA-N -1 3 356.407 2.910 20 30 FFEDHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)no1 ZINC000554704306 516596709 /nfs/dbraw/zinc/59/67/09/516596709.db2.gz BIXODWXUVXXRSP-UHFFFAOYSA-N -1 3 368.418 2.536 20 30 FFEDHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000536023843 516597180 /nfs/dbraw/zinc/59/71/80/516597180.db2.gz ZLUNJQHPGTXENM-MRXNPFEDSA-N -1 3 361.854 2.677 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N(CCC#N)Cc1ccco1)c2=O ZINC000540546527 516612317 /nfs/dbraw/zinc/61/23/17/516612317.db2.gz SPHZKIWETVJPQD-UHFFFAOYSA-N -1 3 369.352 2.825 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000547951900 516653554 /nfs/dbraw/zinc/65/35/54/516653554.db2.gz PAVWCRPLQKOMGI-TZMCWYRMSA-N -1 3 372.874 2.726 20 30 FFEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000561561708 516655288 /nfs/dbraw/zinc/65/52/88/516655288.db2.gz USCYPAXDSUWGBZ-UHFFFAOYSA-N -1 3 358.847 2.735 20 30 FFEDHM N#Cc1cccnc1N1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000558567441 516811814 /nfs/dbraw/zinc/81/18/14/516811814.db2.gz FMNPOFLLCNPSJU-UHFFFAOYSA-N -1 3 362.355 3.000 20 30 FFEDHM O=C(Nc1nnc(SCCO)[n-]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000536545121 516815323 /nfs/dbraw/zinc/81/53/23/516815323.db2.gz FMGMJCIXLPYAOK-UHFFFAOYSA-N -1 3 364.430 2.541 20 30 FFEDHM O=C(Nc1nc(SCCO)n[n-]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000536545121 516815330 /nfs/dbraw/zinc/81/53/30/516815330.db2.gz FMGMJCIXLPYAOK-UHFFFAOYSA-N -1 3 364.430 2.541 20 30 FFEDHM O=C(Nc1n[n-]c(SCCO)n1)c1ccc(C#Cc2ccccc2)cc1 ZINC000536545121 516815337 /nfs/dbraw/zinc/81/53/37/516815337.db2.gz FMGMJCIXLPYAOK-UHFFFAOYSA-N -1 3 364.430 2.541 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)CCCCC1 ZINC000544599995 516830695 /nfs/dbraw/zinc/83/06/95/516830695.db2.gz VJLXBBKGIABAHS-AWEZNQCLSA-N -1 3 374.865 2.906 20 30 FFEDHM N#Cc1ccc(-n2ccc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)c(Cl)c1 ZINC000541109858 516880533 /nfs/dbraw/zinc/88/05/33/516880533.db2.gz QKKIZOQSCBZJFC-UHFFFAOYSA-N -1 3 357.713 2.573 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000537019783 517005002 /nfs/dbraw/zinc/00/50/02/517005002.db2.gz SNBKNQGPQHPJSS-SECBINFHSA-N -1 3 368.680 2.565 20 30 FFEDHM CC(C#N)C(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000532830401 517162045 /nfs/dbraw/zinc/16/20/45/517162045.db2.gz NICUEALFZJQNKC-VXGBXAGGSA-N -1 3 363.464 2.886 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc2c(s1)CCC2 ZINC000515003629 517163625 /nfs/dbraw/zinc/16/36/25/517163625.db2.gz AYTTYWANCSRIRN-VIFPVBQESA-N -1 3 351.428 2.682 20 30 FFEDHM CC(=O)Nc1ccccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000533092657 517290613 /nfs/dbraw/zinc/29/06/13/517290613.db2.gz BXLBVEGQHXWWGM-UHFFFAOYSA-N -1 3 363.826 2.649 20 30 FFEDHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(C#N)cc3F)nc21 ZINC000520205971 517300140 /nfs/dbraw/zinc/30/01/40/517300140.db2.gz LSLYEYSYOKFBHA-UHFFFAOYSA-N -1 3 359.382 2.668 20 30 FFEDHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(CCC#N)C(C)C ZINC000527104627 517504108 /nfs/dbraw/zinc/50/41/08/517504108.db2.gz FOZNHBXFMPNYHL-UHFFFAOYSA-N -1 3 363.439 2.501 20 30 FFEDHM CSc1nnc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[n-]1 ZINC000521118997 517618591 /nfs/dbraw/zinc/61/85/91/517618591.db2.gz SVODGXRSZUEZDE-UHFFFAOYSA-N -1 3 352.379 2.838 20 30 FFEDHM CSc1n[n-]c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC000521118997 517618598 /nfs/dbraw/zinc/61/85/98/517618598.db2.gz SVODGXRSZUEZDE-UHFFFAOYSA-N -1 3 352.379 2.838 20 30 FFEDHM CSc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n[n-]1 ZINC000521118997 517618606 /nfs/dbraw/zinc/61/86/06/517618606.db2.gz SVODGXRSZUEZDE-UHFFFAOYSA-N -1 3 352.379 2.838 20 30 FFEDHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000533909815 517662536 /nfs/dbraw/zinc/66/25/36/517662536.db2.gz FGFSFJPVJLMPIS-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM N#Cc1cccc(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000542690610 517688151 /nfs/dbraw/zinc/68/81/51/517688151.db2.gz MHFIHWYGSKMZCH-OAHLLOKOSA-N -1 3 368.817 2.504 20 30 FFEDHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000534530277 517930931 /nfs/dbraw/zinc/93/09/31/517930931.db2.gz AJMYDJWLYVBRSL-MRXNPFEDSA-N -1 3 361.854 2.677 20 30 FFEDHM Cc1cnccc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553852984 517933793 /nfs/dbraw/zinc/93/37/93/517933793.db2.gz OAPLRSODOZHASJ-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2cc(F)ccc2o1 ZINC000563655862 518049567 /nfs/dbraw/zinc/04/95/67/518049567.db2.gz JZYPMEKTKWBAPS-UHFFFAOYSA-N -1 3 368.368 2.805 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000550434269 518053361 /nfs/dbraw/zinc/05/33/61/518053361.db2.gz RXNRHMUILQAQFS-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)Cc2ccc(CC#N)cc2)s1 ZINC000566852375 518232881 /nfs/dbraw/zinc/23/28/81/518232881.db2.gz AEBMTTBNTGBQQK-UHFFFAOYSA-N -1 3 364.496 2.521 20 30 FFEDHM C[C@@H](C#N)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000584325655 518282584 /nfs/dbraw/zinc/28/25/84/518282584.db2.gz HVCZBVKCCJGITA-ZETCQYMHSA-N -1 3 368.618 2.833 20 30 FFEDHM C[C@@H](C#N)CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000584325655 518282589 /nfs/dbraw/zinc/28/25/89/518282589.db2.gz HVCZBVKCCJGITA-ZETCQYMHSA-N -1 3 368.618 2.833 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C(=O)NC4CC4)c3)nc1-2 ZINC000578718037 518338467 /nfs/dbraw/zinc/33/84/67/518338467.db2.gz KQVQJBYMZLBBCD-HNNXBMFYSA-N -1 3 359.389 2.649 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000564770823 518606352 /nfs/dbraw/zinc/60/63/52/518606352.db2.gz ZFESFZFAKIJAEL-LSDHHAIUSA-N -1 3 372.849 2.922 20 30 FFEDHM C=CCCCCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000579612823 518767250 /nfs/dbraw/zinc/76/72/50/518767250.db2.gz TXVXDGJZDBNFDO-UHFFFAOYSA-N -1 3 350.893 2.542 20 30 FFEDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000589222769 518956109 /nfs/dbraw/zinc/95/61/09/518956109.db2.gz DTWWKVRAOMNTLP-JTQLQIEISA-N -1 3 362.407 2.594 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1nc(C(F)(F)F)cs1 ZINC000589230146 518958916 /nfs/dbraw/zinc/95/89/16/518958916.db2.gz UKBGQSJPTINSCT-QMMMGPOBSA-N -1 3 353.391 2.836 20 30 FFEDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCc2cc(C#N)ccc21 ZINC000589230163 518959054 /nfs/dbraw/zinc/95/90/54/518959054.db2.gz YVLTWROVUXXMLA-HNNXBMFYSA-N -1 3 374.418 2.521 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1ccc(Cl)cc1 ZINC000580056710 518984221 /nfs/dbraw/zinc/98/42/21/518984221.db2.gz CQCZKNPZIWBGOU-AWEZNQCLSA-N -1 3 371.245 2.877 20 30 FFEDHM N#Cc1ccccc1OCC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000590556847 519264522 /nfs/dbraw/zinc/26/45/22/519264522.db2.gz RFJXGIZGQJSAPN-UHFFFAOYSA-N -1 3 370.372 2.909 20 30 FFEDHM N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000590556847 519264527 /nfs/dbraw/zinc/26/45/27/519264527.db2.gz RFJXGIZGQJSAPN-UHFFFAOYSA-N -1 3 370.372 2.909 20 30 FFEDHM N#Cc1ccccc1OCC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000590556847 519264533 /nfs/dbraw/zinc/26/45/33/519264533.db2.gz RFJXGIZGQJSAPN-UHFFFAOYSA-N -1 3 370.372 2.909 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)CCCC1 ZINC000580621663 519269261 /nfs/dbraw/zinc/26/92/61/519269261.db2.gz KKASFWIZNYVZSX-UHFFFAOYSA-N -1 3 364.467 2.963 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000574939296 519413861 /nfs/dbraw/zinc/41/38/61/519413861.db2.gz JVWREMDCCLNDLX-HNNXBMFYSA-N -1 3 368.817 2.504 20 30 FFEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCc4cc(C#N)ccc43)cn21 ZINC000591328310 519592955 /nfs/dbraw/zinc/59/29/55/519592955.db2.gz OPEIVIDGQOKZSJ-LRDDRELGSA-N -1 3 356.451 2.618 20 30 FFEDHM CC(C)n1ccc(=NC(=O)C(=O)[N-]c2scc(C(C)(C)C)c2C#N)[nH]1 ZINC000584127859 519604394 /nfs/dbraw/zinc/60/43/94/519604394.db2.gz SGOYKGHYPCTRTJ-UHFFFAOYSA-N -1 3 359.455 2.694 20 30 FFEDHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1)OC ZINC000591490301 519930988 /nfs/dbraw/zinc/93/09/88/519930988.db2.gz DXVLJSQPMWAOSG-HNNXBMFYSA-N -1 3 361.423 2.912 20 30 FFEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](N)CCCCC#N)[nH][n-]1 ZINC000594466608 519978956 /nfs/dbraw/zinc/97/89/56/519978956.db2.gz BCCWMEYLTUTEJJ-ZDUSSCGKSA-N -1 3 361.833 2.510 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594492604 520001860 /nfs/dbraw/zinc/00/18/60/520001860.db2.gz YRHMBQCTKBMXEL-LBPRGKRZSA-N -1 3 354.859 2.982 20 30 FFEDHM C[C@@H](NC(=O)CC1(C#N)CCCCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000597652157 520159336 /nfs/dbraw/zinc/15/93/36/520159336.db2.gz INLFGNSJFSPWDZ-UONOGXRCSA-N -1 3 358.442 2.731 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)CC(F)F ZINC000592066801 520163111 /nfs/dbraw/zinc/16/31/11/520163111.db2.gz FYRAVJAYYLKDAV-QMMMGPOBSA-N -1 3 367.215 2.890 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000594817863 520172080 /nfs/dbraw/zinc/17/20/80/520172080.db2.gz FFKFQGBEIXMABF-AWEZNQCLSA-N -1 3 362.373 2.727 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1(F)F ZINC000594858976 520194512 /nfs/dbraw/zinc/19/45/12/520194512.db2.gz WMQSWWXGJJFHKX-NSHDSACASA-N -1 3 365.199 2.644 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CCOCC2)c(F)c1 ZINC000594861893 520195905 /nfs/dbraw/zinc/19/59/05/520195905.db2.gz FZKUCFPIFIWLIF-UHFFFAOYSA-N -1 3 374.437 2.990 20 30 FFEDHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000603378057 520240077 /nfs/dbraw/zinc/24/00/77/520240077.db2.gz WFKJLOPRLOQOKC-UHFFFAOYSA-N -1 3 351.403 2.737 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000617039733 520298440 /nfs/dbraw/zinc/29/84/40/520298440.db2.gz KYDWCIUTUVXXLF-PSGMQZRDSA-N -1 3 355.438 2.606 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)CCCCC1 ZINC000613076213 520303073 /nfs/dbraw/zinc/30/30/73/520303073.db2.gz VBTLYBADUPBGOX-INIZCTEOSA-N -1 3 365.499 2.810 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000600668064 520384954 /nfs/dbraw/zinc/38/49/54/520384954.db2.gz LIWPKLJEPHTJTO-XKQJLSEDSA-N -1 3 354.447 2.905 20 30 FFEDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000595353639 520423186 /nfs/dbraw/zinc/42/31/86/520423186.db2.gz KHQRLYBLJMLOEH-CVEARBPZSA-N -1 3 350.465 2.656 20 30 FFEDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000604030837 520431794 /nfs/dbraw/zinc/43/17/94/520431794.db2.gz LKICBPHCCKHJKU-UHFFFAOYSA-N -1 3 358.341 3.000 20 30 FFEDHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000595393622 520443428 /nfs/dbraw/zinc/44/34/28/520443428.db2.gz XHIZKQSOSAVJRR-LLVKDONJSA-N -1 3 362.373 2.670 20 30 FFEDHM N#Cc1ccccc1COc1cccc(CN[C@@H](C(=O)[O-])[C@H]2CCCO2)c1 ZINC000600943224 520550794 /nfs/dbraw/zinc/55/07/94/520550794.db2.gz VANHVDUMVPCJQN-WOJBJXKFSA-N -1 3 366.417 2.859 20 30 FFEDHM N#CC(=C([O-])c1ccc(OCC(N)=O)cc1)c1nc2cc(F)ccc2s1 ZINC000592975573 520666045 /nfs/dbraw/zinc/66/60/45/520666045.db2.gz JUDBXBVVVUZNMX-CYBMUJFWSA-N -1 3 369.377 2.790 20 30 FFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cccs1 ZINC000613906034 520723187 /nfs/dbraw/zinc/72/31/87/520723187.db2.gz FERYOAIOCKXIOU-CYBMUJFWSA-N -1 3 370.496 2.746 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000593278810 520876733 /nfs/dbraw/zinc/87/67/33/520876733.db2.gz AKBVOVKFIWKWGJ-JTQLQIEISA-N -1 3 369.331 2.743 20 30 FFEDHM Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593579391 521089011 /nfs/dbraw/zinc/08/90/11/521089011.db2.gz XYCISVGMMCTNHG-UHFFFAOYSA-N -1 3 360.464 2.720 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)c(F)c1 ZINC000614738004 521118732 /nfs/dbraw/zinc/11/87/32/521118732.db2.gz MKQZUMHAVCUHJC-CRAIPNDOSA-N -1 3 360.410 2.753 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C[C@H]4CCOC4)nn3)sc2C1 ZINC000602231968 521223861 /nfs/dbraw/zinc/22/38/61/521223861.db2.gz SPBVAIPZSBABNI-VXGBXAGGSA-N -1 3 371.466 2.625 20 30 FFEDHM C=CCC1(NC(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C)CCCC1 ZINC000619113139 521404948 /nfs/dbraw/zinc/40/49/48/521404948.db2.gz DITSXNLJZGVJRF-UHFFFAOYSA-N -1 3 368.437 2.530 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1 ZINC000619461614 521579454 /nfs/dbraw/zinc/57/94/54/521579454.db2.gz DVLCEWPXYYZWPL-UHFFFAOYSA-N -1 3 359.382 2.577 20 30 FFEDHM C=C[C@H](Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC ZINC000619699505 521829125 /nfs/dbraw/zinc/82/91/25/521829125.db2.gz FCBPUTPPVJIQPN-KRWDZBQOSA-N -1 3 360.435 2.935 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629500202 522284050 /nfs/dbraw/zinc/28/40/50/522284050.db2.gz GCOAOHGFTWNDTD-YCPHGPKFSA-N -1 3 350.484 2.694 20 30 FFEDHM C=CCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1OC ZINC000636318262 522909189 /nfs/dbraw/zinc/90/91/89/522909189.db2.gz SBWICLPBGUHHQA-UHFFFAOYSA-N -1 3 369.421 2.953 20 30 FFEDHM CCOc1ccccc1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736654523 598916269 /nfs/dbraw/zinc/91/62/69/598916269.db2.gz WMLAWNZBWOLEGD-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM CCOc1ccccc1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736654523 598916271 /nfs/dbraw/zinc/91/62/71/598916271.db2.gz WMLAWNZBWOLEGD-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM Cc1ccc(OCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737364852 598916971 /nfs/dbraw/zinc/91/69/71/598916971.db2.gz GAPGGKWGVWXNLP-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1ccc(OCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737364852 598916973 /nfs/dbraw/zinc/91/69/73/598916973.db2.gz GAPGGKWGVWXNLP-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000737719956 598919819 /nfs/dbraw/zinc/91/98/19/598919819.db2.gz XFULFWKNUGNZQR-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000737719956 598919820 /nfs/dbraw/zinc/91/98/20/598919820.db2.gz XFULFWKNUGNZQR-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM CCCN(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736471142 598926550 /nfs/dbraw/zinc/92/65/50/598926550.db2.gz HXVDRQQLCNUFCN-UHFFFAOYSA-N -1 3 361.409 2.837 20 30 FFEDHM CCCN(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736471142 598926551 /nfs/dbraw/zinc/92/65/51/598926551.db2.gz HXVDRQQLCNUFCN-UHFFFAOYSA-N -1 3 361.409 2.837 20 30 FFEDHM N#C[C@@H](COC(=O)c1sccc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000737674735 599027154 /nfs/dbraw/zinc/02/71/54/599027154.db2.gz LJMWJAPAJDNOFN-NSHDSACASA-N -1 3 357.370 2.607 20 30 FFEDHM C#CC(C)(C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735375740 599032172 /nfs/dbraw/zinc/03/21/72/599032172.db2.gz QQAGMTIYCBUJAE-UHFFFAOYSA-N -1 3 361.405 2.587 20 30 FFEDHM C#CC(C)(C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735375740 599032173 /nfs/dbraw/zinc/03/21/73/599032173.db2.gz QQAGMTIYCBUJAE-UHFFFAOYSA-N -1 3 361.405 2.587 20 30 FFEDHM C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736193936 599063003 /nfs/dbraw/zinc/06/30/03/599063003.db2.gz UZMALOIBVCGAGO-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736193936 599063006 /nfs/dbraw/zinc/06/30/06/599063006.db2.gz UZMALOIBVCGAGO-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM N#Cc1ccc2ncc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)n2c1 ZINC000822837362 599114226 /nfs/dbraw/zinc/11/42/26/599114226.db2.gz LGWPKCOWLCQQFB-RIYZIHGNSA-N -1 3 367.372 2.599 20 30 FFEDHM N#Cc1ccc2ncc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)n2c1 ZINC000822837362 599114227 /nfs/dbraw/zinc/11/42/27/599114227.db2.gz LGWPKCOWLCQQFB-RIYZIHGNSA-N -1 3 367.372 2.599 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822497240 599117473 /nfs/dbraw/zinc/11/74/73/599117473.db2.gz ZBUVWJRCLHLVQA-DHZHZOJOSA-N -1 3 354.801 2.775 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822497240 599117475 /nfs/dbraw/zinc/11/74/75/599117475.db2.gz ZBUVWJRCLHLVQA-DHZHZOJOSA-N -1 3 354.801 2.775 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(F)c1 ZINC000735580388 599191023 /nfs/dbraw/zinc/19/10/23/599191023.db2.gz DZVDTTOGRWQION-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(F)c1 ZINC000735580388 599191026 /nfs/dbraw/zinc/19/10/26/599191026.db2.gz DZVDTTOGRWQION-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM C[C@@H](OC(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519106 607263734 /nfs/dbraw/zinc/26/37/34/607263734.db2.gz PJNRILQZLMLOAJ-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@@H](OC(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519106 607263735 /nfs/dbraw/zinc/26/37/35/607263735.db2.gz PJNRILQZLMLOAJ-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM COc1ccc(Cl)cc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000737099787 598273193 /nfs/dbraw/zinc/27/31/93/598273193.db2.gz ODRFTOHLFJQRRS-UHFFFAOYSA-N -1 3 373.829 2.670 20 30 FFEDHM COc1ccc(Cl)cc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000737099787 598273194 /nfs/dbraw/zinc/27/31/94/598273194.db2.gz ODRFTOHLFJQRRS-UHFFFAOYSA-N -1 3 373.829 2.670 20 30 FFEDHM C=CCOc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735437156 598379543 /nfs/dbraw/zinc/37/95/43/598379543.db2.gz YNXFLIUXDITQQP-SFQUDFHCSA-N -1 3 373.372 2.776 20 30 FFEDHM C=CCOc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735437156 598379545 /nfs/dbraw/zinc/37/95/45/598379545.db2.gz YNXFLIUXDITQQP-SFQUDFHCSA-N -1 3 373.372 2.776 20 30 FFEDHM C#CCOc1cccc([C@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735381770 598433743 /nfs/dbraw/zinc/43/37/43/598433743.db2.gz ZPSLLGCOWYVRDG-AWEZNQCLSA-N -1 3 362.389 2.726 20 30 FFEDHM C#CCOc1cccc([C@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381770 598433745 /nfs/dbraw/zinc/43/37/45/598433745.db2.gz ZPSLLGCOWYVRDG-AWEZNQCLSA-N -1 3 362.389 2.726 20 30 FFEDHM N#CCSCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737697778 598555514 /nfs/dbraw/zinc/55/55/14/598555514.db2.gz MSTWVGKUDQZZPY-UHFFFAOYSA-N -1 3 366.406 2.854 20 30 FFEDHM N#CCSCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737697778 598555516 /nfs/dbraw/zinc/55/55/16/598555516.db2.gz MSTWVGKUDQZZPY-UHFFFAOYSA-N -1 3 366.406 2.854 20 30 FFEDHM N#Cc1ccc(NC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000737715913 598603540 /nfs/dbraw/zinc/60/35/40/598603540.db2.gz ICWZFOWPMBMYBG-UHFFFAOYSA-N -1 3 371.763 2.581 20 30 FFEDHM N#Cc1ccc(NC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000737715913 598603541 /nfs/dbraw/zinc/60/35/41/598603541.db2.gz ICWZFOWPMBMYBG-UHFFFAOYSA-N -1 3 371.763 2.581 20 30 FFEDHM COC(=O)c1ccc2[nH]cc(C=NNc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000736948223 598639270 /nfs/dbraw/zinc/63/92/70/598639270.db2.gz HZKCBPANMBITLR-UHFFFAOYSA-N -1 3 361.365 2.581 20 30 FFEDHM COC(=O)c1ccc2[nH]cc(C=NNc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000736948223 598639272 /nfs/dbraw/zinc/63/92/72/598639272.db2.gz HZKCBPANMBITLR-UHFFFAOYSA-N -1 3 361.365 2.581 20 30 FFEDHM C=C(Cl)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735402038 598725405 /nfs/dbraw/zinc/72/54/05/598725405.db2.gz FXGNGTASDQYCIQ-UHFFFAOYSA-N -1 3 357.757 2.963 20 30 FFEDHM C=C(Cl)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735402038 598725406 /nfs/dbraw/zinc/72/54/06/598725406.db2.gz FXGNGTASDQYCIQ-UHFFFAOYSA-N -1 3 357.757 2.963 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(OC)c(-c3nnn[n-]3)c2)SC1=S ZINC000819722703 599310854 /nfs/dbraw/zinc/31/08/54/599310854.db2.gz OVGJKBGOWZWSND-NTUHNPAUSA-N -1 3 373.463 2.653 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(OC)c(-c3nn[n-]n3)c2)SC1=S ZINC000819722703 599310856 /nfs/dbraw/zinc/31/08/56/599310856.db2.gz OVGJKBGOWZWSND-NTUHNPAUSA-N -1 3 373.463 2.653 20 30 FFEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CO2 ZINC000737248677 599462992 /nfs/dbraw/zinc/46/29/92/599462992.db2.gz JVMNOAWKKGITGL-VGOFMYFVSA-N -1 3 372.388 2.790 20 30 FFEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CO2 ZINC000737248677 599462994 /nfs/dbraw/zinc/46/29/94/599462994.db2.gz JVMNOAWKKGITGL-VGOFMYFVSA-N -1 3 372.388 2.790 20 30 FFEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000819759334 599628082 /nfs/dbraw/zinc/62/80/82/599628082.db2.gz UUSVBIRCVWRUDD-NSHDSACASA-N -1 3 361.471 2.974 20 30 FFEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000819759334 599628083 /nfs/dbraw/zinc/62/80/83/599628083.db2.gz UUSVBIRCVWRUDD-NSHDSACASA-N -1 3 361.471 2.974 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000822829775 599632269 /nfs/dbraw/zinc/63/22/69/599632269.db2.gz IJIPZOTVTJJNKL-MRXNPFEDSA-N -1 3 362.418 2.707 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000822829775 599632270 /nfs/dbraw/zinc/63/22/70/599632270.db2.gz IJIPZOTVTJJNKL-MRXNPFEDSA-N -1 3 362.418 2.707 20 30 FFEDHM N#CCC[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826381514 607429425 /nfs/dbraw/zinc/42/94/25/607429425.db2.gz ONYPHPHLLGDLKV-CQSZACIVSA-N -1 3 367.800 2.690 20 30 FFEDHM N#CCC[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826381514 607429427 /nfs/dbraw/zinc/42/94/27/607429427.db2.gz ONYPHPHLLGDLKV-CQSZACIVSA-N -1 3 367.800 2.690 20 30 FFEDHM N#CCC[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826381513 607429566 /nfs/dbraw/zinc/42/95/66/607429566.db2.gz ONYPHPHLLGDLKV-AWEZNQCLSA-N -1 3 367.800 2.690 20 30 FFEDHM N#CCC[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000826381513 607429568 /nfs/dbraw/zinc/42/95/68/607429568.db2.gz ONYPHPHLLGDLKV-AWEZNQCLSA-N -1 3 367.800 2.690 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000823530263 607458742 /nfs/dbraw/zinc/45/87/42/607458742.db2.gz GOIIJNMNYNRUHD-QPJJXVBHSA-N -1 3 363.352 2.787 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000823530263 607458744 /nfs/dbraw/zinc/45/87/44/607458744.db2.gz GOIIJNMNYNRUHD-QPJJXVBHSA-N -1 3 363.352 2.787 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000820108971 607464473 /nfs/dbraw/zinc/46/44/73/607464473.db2.gz XGUBQWBUNSFIES-UHFFFAOYSA-N -1 3 354.349 2.510 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000820108971 607464474 /nfs/dbraw/zinc/46/44/74/607464474.db2.gz XGUBQWBUNSFIES-UHFFFAOYSA-N -1 3 354.349 2.510 20 30 FFEDHM N#Cc1cccc([C@H](NCc2ccccc2CN2CCCC2=O)C(=O)[O-])c1 ZINC000833076445 601299975 /nfs/dbraw/zinc/29/99/75/601299975.db2.gz VIMMQYHXFPRVOO-FQEVSTJZSA-N -1 3 363.417 2.596 20 30 FFEDHM CN(C[C@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714717 602051155 /nfs/dbraw/zinc/05/11/55/602051155.db2.gz WXXQQIXZWBXKRM-RDJZCZTQSA-N -1 3 364.323 2.767 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)[nH]1 ZINC000826384162 607696909 /nfs/dbraw/zinc/69/69/09/607696909.db2.gz JHPYSERWHVNQNX-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)[nH]1 ZINC000826384162 607696911 /nfs/dbraw/zinc/69/69/11/607696911.db2.gz JHPYSERWHVNQNX-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)nc1 ZINC000826384983 607771380 /nfs/dbraw/zinc/77/13/80/607771380.db2.gz SBUHFVMBPRHGMY-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)nc1 ZINC000826384983 607771381 /nfs/dbraw/zinc/77/13/81/607771381.db2.gz SBUHFVMBPRHGMY-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#CC(C(=O)CCCCNC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000833961267 605909133 /nfs/dbraw/zinc/90/91/33/605909133.db2.gz QCGDRCWNAJVLHK-HNNXBMFYSA-N -1 3 353.378 2.925 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(N2CCOC2=O)c1 ZINC000822923493 606306541 /nfs/dbraw/zinc/30/65/41/606306541.db2.gz SNBTVTOCMIIZEA-PLNGDYQASA-N -1 3 367.390 2.781 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(N2CCOC2=O)c1 ZINC000822923493 606306543 /nfs/dbraw/zinc/30/65/43/606306543.db2.gz SNBTVTOCMIIZEA-PLNGDYQASA-N -1 3 367.390 2.781 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823160971 606530316 /nfs/dbraw/zinc/53/03/16/606530316.db2.gz JAGOHCJJGHYHMM-UHFFFAOYSA-N -1 3 371.322 2.667 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823160971 606530317 /nfs/dbraw/zinc/53/03/17/606530317.db2.gz JAGOHCJJGHYHMM-UHFFFAOYSA-N -1 3 371.322 2.667 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820155517 606530548 /nfs/dbraw/zinc/53/05/48/606530548.db2.gz RAHQQRASXQMNME-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820155517 606530549 /nfs/dbraw/zinc/53/05/49/606530549.db2.gz RAHQQRASXQMNME-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820518305 606732459 /nfs/dbraw/zinc/73/24/59/606732459.db2.gz AOZWMTRZUIRNDF-LBPRGKRZSA-N -1 3 354.414 2.805 20 30 FFEDHM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820518305 606732461 /nfs/dbraw/zinc/73/24/61/606732461.db2.gz AOZWMTRZUIRNDF-LBPRGKRZSA-N -1 3 354.414 2.805 20 30 FFEDHM CN(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)C1(C#N)CCCCC1 ZINC000821570932 606784806 /nfs/dbraw/zinc/78/48/06/606784806.db2.gz ROSXDOUKRBBVSS-UHFFFAOYSA-N -1 3 374.832 2.584 20 30 FFEDHM CN(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)C1(C#N)CCCCC1 ZINC000821570932 606784807 /nfs/dbraw/zinc/78/48/07/606784807.db2.gz ROSXDOUKRBBVSS-UHFFFAOYSA-N -1 3 374.832 2.584 20 30 FFEDHM COc1ccccc1C=NOCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821890864 606837581 /nfs/dbraw/zinc/83/75/81/606837581.db2.gz PULLQBXTKFVOSQ-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM COc1ccccc1C=NOCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821890864 606837583 /nfs/dbraw/zinc/83/75/83/606837583.db2.gz PULLQBXTKFVOSQ-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820016498 606851107 /nfs/dbraw/zinc/85/11/07/606851107.db2.gz MVXRFHDZUDVOIX-OAHLLOKOSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820016498 606851109 /nfs/dbraw/zinc/85/11/09/606851109.db2.gz MVXRFHDZUDVOIX-OAHLLOKOSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(=NOCC(F)(F)F)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819782271 606994756 /nfs/dbraw/zinc/99/47/56/606994756.db2.gz JZAJAJLZMSHGIJ-UHFFFAOYSA-N -1 3 365.319 2.664 20 30 FFEDHM N#Cc1ccc(-c2nnc(COc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000822822702 607140407 /nfs/dbraw/zinc/14/04/07/607140407.db2.gz CDUXLIIGJNQMGX-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1ccc(-c2nnc(COc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000822822702 607140408 /nfs/dbraw/zinc/14/04/08/607140408.db2.gz CDUXLIIGJNQMGX-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819743449 607233466 /nfs/dbraw/zinc/23/34/66/607233466.db2.gz JTJVFSAWMPHXKM-UHFFFAOYSA-N -1 3 368.828 2.786 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819743449 607233467 /nfs/dbraw/zinc/23/34/67/607233467.db2.gz JTJVFSAWMPHXKM-UHFFFAOYSA-N -1 3 368.828 2.786 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822826331 607247944 /nfs/dbraw/zinc/24/79/44/607247944.db2.gz WISCVMBBDLGNBJ-UHFFFAOYSA-N -1 3 369.381 2.716 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822826331 607247945 /nfs/dbraw/zinc/24/79/45/607247945.db2.gz WISCVMBBDLGNBJ-UHFFFAOYSA-N -1 3 369.381 2.716 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000826177061 607883282 /nfs/dbraw/zinc/88/32/82/607883282.db2.gz PYIJSTSSFJSLRB-CMDGGOBGSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000826177061 607883283 /nfs/dbraw/zinc/88/32/83/607883283.db2.gz PYIJSTSSFJSLRB-CMDGGOBGSA-N -1 3 366.377 2.789 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000823856556 607923780 /nfs/dbraw/zinc/92/37/80/607923780.db2.gz TUQINYGXCPNFQS-UHFFFAOYSA-N -1 3 359.455 2.566 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000823856556 607923781 /nfs/dbraw/zinc/92/37/81/607923781.db2.gz TUQINYGXCPNFQS-UHFFFAOYSA-N -1 3 359.455 2.566 20 30 FFEDHM C#CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000823838316 607939710 /nfs/dbraw/zinc/93/97/10/607939710.db2.gz OATHLHXUYRHUGP-KRWDZBQOSA-N -1 3 364.384 2.570 20 30 FFEDHM C#CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000823838316 607939711 /nfs/dbraw/zinc/93/97/11/607939711.db2.gz OATHLHXUYRHUGP-KRWDZBQOSA-N -1 3 364.384 2.570 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823904254 607983906 /nfs/dbraw/zinc/98/39/06/607983906.db2.gz YBTRSNIEQWMUKJ-ZDUSSCGKSA-N -1 3 373.482 2.698 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823904254 607983907 /nfs/dbraw/zinc/98/39/07/607983907.db2.gz YBTRSNIEQWMUKJ-ZDUSSCGKSA-N -1 3 373.482 2.698 20 30 FFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761982 608070180 /nfs/dbraw/zinc/07/01/80/608070180.db2.gz DRLFFYFLRWQFFW-IFXJQAMLSA-N -1 3 360.421 2.873 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(Cl)c1F ZINC000823914831 608120028 /nfs/dbraw/zinc/12/00/28/608120028.db2.gz OFVRQPNBXVYCPJ-UHFFFAOYSA-N -1 3 372.791 2.883 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(Cl)c1F ZINC000823914831 608120029 /nfs/dbraw/zinc/12/00/29/608120029.db2.gz OFVRQPNBXVYCPJ-UHFFFAOYSA-N -1 3 372.791 2.883 20 30 FFEDHM C#CCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823841284 608322929 /nfs/dbraw/zinc/32/29/29/608322929.db2.gz KSPHDHPXPDTJGL-UHFFFAOYSA-N -1 3 350.325 2.705 20 30 FFEDHM C#CCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823841284 608322930 /nfs/dbraw/zinc/32/29/30/608322930.db2.gz KSPHDHPXPDTJGL-UHFFFAOYSA-N -1 3 350.325 2.705 20 30 FFEDHM C[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(C#N)cc1 ZINC000824634264 608459561 /nfs/dbraw/zinc/45/95/61/608459561.db2.gz UUDMXINNVYNXJP-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(C#N)cc1 ZINC000824634264 608459563 /nfs/dbraw/zinc/45/95/63/608459563.db2.gz UUDMXINNVYNXJP-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM N#CC1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCCC1 ZINC000826380363 608488448 /nfs/dbraw/zinc/48/84/48/608488448.db2.gz XQFANLAURYACPP-UHFFFAOYSA-N -1 3 362.437 2.956 20 30 FFEDHM N#CC1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCCC1 ZINC000826380363 608488449 /nfs/dbraw/zinc/48/84/49/608488449.db2.gz XQFANLAURYACPP-UHFFFAOYSA-N -1 3 362.437 2.956 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000823910157 608492513 /nfs/dbraw/zinc/49/25/13/608492513.db2.gz XZIRENBAQMLISW-XOIINTDNSA-N -1 3 370.457 2.520 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000823910157 608492515 /nfs/dbraw/zinc/49/25/15/608492515.db2.gz XZIRENBAQMLISW-XOIINTDNSA-N -1 3 370.457 2.520 20 30 FFEDHM Oc1ccccc1C=NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826511233 608526983 /nfs/dbraw/zinc/52/69/83/608526983.db2.gz HTZVBALLUSESAL-RGVLZGJSSA-N -1 3 364.409 2.776 20 30 FFEDHM Oc1ccccc1C=NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826511233 608526985 /nfs/dbraw/zinc/52/69/85/608526985.db2.gz HTZVBALLUSESAL-RGVLZGJSSA-N -1 3 364.409 2.776 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)CCO2 ZINC000823958321 608535644 /nfs/dbraw/zinc/53/56/44/608535644.db2.gz IYYQIKUSLUWNFM-UHFFFAOYSA-N -1 3 355.789 2.686 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)CCO2 ZINC000823958321 608535645 /nfs/dbraw/zinc/53/56/45/608535645.db2.gz IYYQIKUSLUWNFM-UHFFFAOYSA-N -1 3 355.789 2.686 20 30 FFEDHM CCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OC ZINC000825638152 608536066 /nfs/dbraw/zinc/53/60/66/608536066.db2.gz HLJRDERSOQPJOB-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC ZINC000825638152 608536067 /nfs/dbraw/zinc/53/60/67/608536067.db2.gz HLJRDERSOQPJOB-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM O=[N+]([O-])c1ccccc1CC=CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826500466 608539892 /nfs/dbraw/zinc/53/98/92/608539892.db2.gz ZFVGTAMVKKYOSJ-JXSXUJAASA-N -1 3 370.760 2.934 20 30 FFEDHM O=[N+]([O-])c1ccccc1CC=CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826500466 608539894 /nfs/dbraw/zinc/53/98/94/608539894.db2.gz ZFVGTAMVKKYOSJ-JXSXUJAASA-N -1 3 370.760 2.934 20 30 FFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826217416 609134349 /nfs/dbraw/zinc/13/43/49/609134349.db2.gz LJBVMYZDQVLHQH-CMDGGOBGSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826217416 609134350 /nfs/dbraw/zinc/13/43/50/609134350.db2.gz LJBVMYZDQVLHQH-CMDGGOBGSA-N -1 3 354.341 2.919 20 30 FFEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000823961864 609159588 /nfs/dbraw/zinc/15/95/88/609159588.db2.gz AMAWPPZURHHDHD-UHFFFAOYSA-N -1 3 354.349 2.825 20 30 FFEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000823961864 609159590 /nfs/dbraw/zinc/15/95/90/609159590.db2.gz AMAWPPZURHHDHD-UHFFFAOYSA-N -1 3 354.349 2.825 20 30 FFEDHM C=CCCOCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000823899451 609167648 /nfs/dbraw/zinc/16/76/48/609167648.db2.gz WJOAYXCJSNRRSD-UHFFFAOYSA-N -1 3 366.425 2.805 20 30 FFEDHM C=CCCOCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000823899451 609167649 /nfs/dbraw/zinc/16/76/49/609167649.db2.gz WJOAYXCJSNRRSD-UHFFFAOYSA-N -1 3 366.425 2.805 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1CC#N ZINC000824147675 609173379 /nfs/dbraw/zinc/17/33/79/609173379.db2.gz GKLSCVXVWMZZQV-UHFFFAOYSA-N -1 3 363.425 2.670 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1CC#N ZINC000824147675 609173381 /nfs/dbraw/zinc/17/33/81/609173381.db2.gz GKLSCVXVWMZZQV-UHFFFAOYSA-N -1 3 363.425 2.670 20 30 FFEDHM C=CCC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823894651 609252209 /nfs/dbraw/zinc/25/22/09/609252209.db2.gz VNZBBKUTFVZZIH-QZTJIDSGSA-N -1 3 363.421 2.724 20 30 FFEDHM C=CCC[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894651 609252210 /nfs/dbraw/zinc/25/22/10/609252210.db2.gz VNZBBKUTFVZZIH-QZTJIDSGSA-N -1 3 363.421 2.724 20 30 FFEDHM CC1(C#N)CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824779982 609263756 /nfs/dbraw/zinc/26/37/56/609263756.db2.gz YYWMQRHOMQGCMQ-UHFFFAOYSA-N -1 3 365.224 2.939 20 30 FFEDHM CC1(C#N)CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824779982 609263757 /nfs/dbraw/zinc/26/37/57/609263757.db2.gz YYWMQRHOMQGCMQ-UHFFFAOYSA-N -1 3 365.224 2.939 20 30 FFEDHM CC(C)(CCC#N)CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824152888 609319598 /nfs/dbraw/zinc/31/95/98/609319598.db2.gz RVYAXTWCHPJTRR-UHFFFAOYSA-N -1 3 354.393 2.933 20 30 FFEDHM C[C@H](C#N)CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824033823 609411011 /nfs/dbraw/zinc/41/10/11/609411011.db2.gz BXGDBMWXOWHINJ-LLVKDONJSA-N -1 3 367.438 2.554 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCO[C@H](CC)C1 ZINC000823909830 609540541 /nfs/dbraw/zinc/54/05/41/609540541.db2.gz RKTDXTJMLZDGRY-IAGOWNOFSA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCO[C@H](CC)C1 ZINC000823909830 609540542 /nfs/dbraw/zinc/54/05/42/609540542.db2.gz RKTDXTJMLZDGRY-IAGOWNOFSA-N -1 3 355.442 2.587 20 30 FFEDHM Cc1ccnc(NC2CCN(c3ccccc3C#N)CC2)c1-c1nnn[n-]1 ZINC000826312480 609571155 /nfs/dbraw/zinc/57/11/55/609571155.db2.gz FOKLEVVILQXSHP-UHFFFAOYSA-N -1 3 360.425 2.523 20 30 FFEDHM Cc1ccnc(NC2CCN(c3ccccc3C#N)CC2)c1-c1nn[n-]n1 ZINC000826312480 609571156 /nfs/dbraw/zinc/57/11/56/609571156.db2.gz FOKLEVVILQXSHP-UHFFFAOYSA-N -1 3 360.425 2.523 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)ccc1F ZINC000178288983 729158842 /nfs/dbraw/zinc/15/88/42/729158842.db2.gz AQWMDFASRQJNOQ-HUUCEWRRSA-N -1 3 366.458 2.552 20 30 FFEDHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)NCC(F)(F)C(F)F ZINC000640297278 730140556 /nfs/dbraw/zinc/14/05/56/730140556.db2.gz BLTKFLKFUNETLK-UHFFFAOYSA-N -1 3 356.629 2.543 20 30 FFEDHM N#Cc1ccc(NCc2nc3c(c(=O)[n-]2)COCC3)cc1C(F)(F)F ZINC000866290162 731046846 /nfs/dbraw/zinc/04/68/46/731046846.db2.gz RIHCYQYPIVSWAW-UHFFFAOYSA-N -1 3 350.300 2.757 20 30 FFEDHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)CCC2 ZINC000779942832 738500543 /nfs/dbraw/zinc/50/05/43/738500543.db2.gz RBPNJKHYWFMDJQ-ZDUSSCGKSA-N -1 3 351.428 2.818 20 30 FFEDHM Cc1cccnc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000781581478 738638398 /nfs/dbraw/zinc/63/83/98/738638398.db2.gz FJQIQDOXFUCMQJ-OAHLLOKOSA-N -1 3 353.407 2.665 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccc(C#N)cc1 ZINC000881783796 733107822 /nfs/dbraw/zinc/10/78/22/733107822.db2.gz DKCNGDSZWLBQJT-ZLOXQWCVSA-N -1 3 369.512 2.884 20 30 FFEDHM COc1cc(C(=O)/C=C\c2c(Br)cnn2C)c(OC)cc1[O-] ZINC000782348427 738712067 /nfs/dbraw/zinc/71/20/67/738712067.db2.gz RCAURPQGETYIDS-PLNGDYQASA-N -1 3 367.199 2.802 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1 ZINC000730996456 734661354 /nfs/dbraw/zinc/66/13/54/734661354.db2.gz RCHMQESWLBQMPN-UHFFFAOYSA-N -1 3 361.419 2.825 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc3c(s2)CCCC3)ccc1-c1nnn[n-]1 ZINC000737710052 735013631 /nfs/dbraw/zinc/01/36/31/735013631.db2.gz UUVAFAQTYSCKOG-UHFFFAOYSA-N -1 3 350.407 2.931 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc3c(s2)CCCC3)ccc1-c1nn[n-]n1 ZINC000737710052 735013634 /nfs/dbraw/zinc/01/36/34/735013634.db2.gz UUVAFAQTYSCKOG-UHFFFAOYSA-N -1 3 350.407 2.931 20 30 FFEDHM O=C([C@H]1CCCN(CC(F)(F)F)C1=O)N([O-])Cc1ccccc1Cl ZINC000900678634 735678788 /nfs/dbraw/zinc/67/87/88/735678788.db2.gz KLDGAOBBMHOGNR-NSHDSACASA-N -1 3 364.751 2.859 20 30 FFEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000749614360 735735008 /nfs/dbraw/zinc/73/50/08/735735008.db2.gz AQYBEXNHDBXCAN-QGZVFWFLSA-N -1 3 369.462 2.571 20 30 FFEDHM COC[C@@H](C#N)OC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000750807180 735816230 /nfs/dbraw/zinc/81/62/30/735816230.db2.gz BTVUGESQIPGESN-SNVBAGLBSA-N -1 3 350.172 2.535 20 30 FFEDHM O=S(=O)(NC1CC1)c1ccc(NN=Cc2c([O-])cccc2Cl)cc1 ZINC000755682659 736270881 /nfs/dbraw/zinc/27/08/81/736270881.db2.gz JPWWSAZNGLQMNS-UHFFFAOYSA-N -1 3 365.842 2.932 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cc(F)ccc2C#N)ccc1F ZINC000759365102 736564782 /nfs/dbraw/zinc/56/47/82/736564782.db2.gz JTKHKKGHDQHRAN-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM C=CCC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750368 736825969 /nfs/dbraw/zinc/82/59/69/736825969.db2.gz FCTRLHWETJCZTF-KBPBESRZSA-N -1 3 351.472 2.604 20 30 FFEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(C)C ZINC000763554511 736947658 /nfs/dbraw/zinc/94/76/58/736947658.db2.gz PVINEHNASLGCGB-HIFRSBDPSA-N -1 3 366.483 2.728 20 30 FFEDHM C#CCOc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000766495377 737234875 /nfs/dbraw/zinc/23/48/75/737234875.db2.gz TUBOYFIWCHVTAS-UHFFFAOYSA-N -1 3 353.802 2.970 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC3CCC2CC3)ccc1F ZINC000769335387 737519803 /nfs/dbraw/zinc/51/98/03/737519803.db2.gz PQWBYLRLUSHUOM-ZUEPYMLJSA-N -1 3 366.458 2.599 20 30 FFEDHM COc1ncc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)s1 ZINC000915866146 737661253 /nfs/dbraw/zinc/66/12/53/737661253.db2.gz QXKMCFIIKJTLPS-CYBMUJFWSA-N -1 3 351.453 2.865 20 30 FFEDHM [O-]c1c(Br)cccc1CN=Nc1ccc(-n2cccn2)nn1 ZINC000915971646 737668263 /nfs/dbraw/zinc/66/82/63/737668263.db2.gz GOBVPYNXQWFQOB-UHFFFAOYSA-N -1 3 359.187 2.576 20 30 FFEDHM O=C1Nc2ccc(Br)cc2C1=N[N-]c1ccc(Cl)nn1 ZINC000916287694 737693889 /nfs/dbraw/zinc/69/38/89/737693889.db2.gz HODTUBIGSWRENJ-UHFFFAOYSA-N -1 3 352.579 2.661 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000916373199 737699117 /nfs/dbraw/zinc/69/91/17/737699117.db2.gz XXFJJAGFVWLOKZ-UHFFFAOYSA-N -1 3 362.480 2.524 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1C ZINC000917520808 737762248 /nfs/dbraw/zinc/76/22/48/737762248.db2.gz SYQWGRCZMPANBG-LBPRGKRZSA-N -1 3 351.193 2.997 20 30 FFEDHM CC(C)(C)NS(=O)(=O)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000920943929 737936183 /nfs/dbraw/zinc/93/61/83/737936183.db2.gz LSFGLKYIXHNBMB-UHFFFAOYSA-N -1 3 364.423 2.631 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C(F)F)[C@@H]1CCCO1 ZINC000774472376 737992873 /nfs/dbraw/zinc/99/28/73/737992873.db2.gz YLRILEQGHVAVRI-ZFWWWQNUSA-N -1 3 354.353 2.564 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccncc1 ZINC000778624103 738399284 /nfs/dbraw/zinc/39/92/84/738399284.db2.gz IBUYROGKKCQOPB-ZDUSSCGKSA-N -1 3 364.423 2.619 20 30 FFEDHM Cc1cc(C(F)(F)F)ccc1CN=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000785453210 738964857 /nfs/dbraw/zinc/96/48/57/738964857.db2.gz FIAVWQLPKLBIGK-UHFFFAOYSA-N -1 3 350.304 2.842 20 30 FFEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)sn1 ZINC000785450389 738965029 /nfs/dbraw/zinc/96/50/29/738965029.db2.gz ZWSXRNLWPLGSCP-CYBMUJFWSA-N -1 3 359.436 2.726 20 30 FFEDHM CC(=NNc1ccccc1S(=O)(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000793183318 739749478 /nfs/dbraw/zinc/74/94/78/739749478.db2.gz XEVWESDVNZKVTH-UHFFFAOYSA-N -1 3 351.403 2.618 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cscc1Br ZINC000794900842 739940756 /nfs/dbraw/zinc/94/07/56/739940756.db2.gz FFHGAVOUPFMQGC-UHFFFAOYSA-N -1 3 359.270 2.964 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccc(Cl)cc1F ZINC000796087232 740099383 /nfs/dbraw/zinc/09/93/83/740099383.db2.gz ZTIKQMKSFRPMPQ-CYBMUJFWSA-N -1 3 371.773 2.512 20 30 FFEDHM CC(C)C[C@H](C)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000798628453 740349176 /nfs/dbraw/zinc/34/91/76/740349176.db2.gz WZISOMGXFVABGH-UONOGXRCSA-N -1 3 366.483 2.729 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(CCF)c1 ZINC000808979892 741270960 /nfs/dbraw/zinc/27/09/60/741270960.db2.gz ONMGDGLXPLKOTF-NSHDSACASA-N -1 3 352.728 2.606 20 30 FFEDHM C[C@H](CC(=O)OCCCCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813179993 741685614 /nfs/dbraw/zinc/68/56/14/741685614.db2.gz ICGIPNXUIYXJAT-CYBMUJFWSA-N -1 3 364.467 2.627 20 30 FFEDHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816756967 742059547 /nfs/dbraw/zinc/05/95/47/742059547.db2.gz JOJQNFYJVOODJN-KWQFWETISA-N -1 3 363.266 2.970 20 30 FFEDHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@H]1CCCN([O-])C1=O ZINC000820476582 742509705 /nfs/dbraw/zinc/50/97/05/742509705.db2.gz NAWBEMYZIQVFFI-ZDUSSCGKSA-N -1 3 365.842 2.502 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000820482449 742510672 /nfs/dbraw/zinc/51/06/72/742510672.db2.gz KDOUEHMHNJJVBL-HNNXBMFYSA-N -1 3 350.846 2.939 20 30 FFEDHM C=C(Br)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823873905 742994021 /nfs/dbraw/zinc/99/40/21/742994021.db2.gz QDZYEUDOCMANNS-UHFFFAOYSA-N -1 3 359.025 2.950 20 30 FFEDHM C=C(Br)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000823873905 742994028 /nfs/dbraw/zinc/99/40/28/742994028.db2.gz QDZYEUDOCMANNS-UHFFFAOYSA-N -1 3 359.025 2.950 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823893945 742996721 /nfs/dbraw/zinc/99/67/21/742996721.db2.gz BUYYLVHLHISHPF-SNVBAGLBSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823893945 742996726 /nfs/dbraw/zinc/99/67/26/742996726.db2.gz BUYYLVHLHISHPF-SNVBAGLBSA-N -1 3 355.851 2.543 20 30 FFEDHM N#Cc1cccc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000825520216 743288543 /nfs/dbraw/zinc/28/85/43/743288543.db2.gz WVQYWKYQFADRFE-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM CCC(F)(F)C(=O)[N-]CCN(CCC(F)(F)F)C(=O)C(F)(F)CC ZINC000834328991 745818388 /nfs/dbraw/zinc/81/83/88/745818388.db2.gz ZICOHKXSPHJPAK-UHFFFAOYSA-N -1 3 368.293 2.974 20 30 FFEDHM C#C[C@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H]1CCCO1 ZINC000839562626 746856952 /nfs/dbraw/zinc/85/69/52/746856952.db2.gz BMHHWFGXPQGZQN-JSGCOSHPSA-N -1 3 355.419 2.927 20 30 FFEDHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](OC)C(C)C)cc1C#N ZINC000842585323 747632650 /nfs/dbraw/zinc/63/26/50/747632650.db2.gz YSOSMTXWUVADRC-HNNXBMFYSA-N -1 3 369.443 2.539 20 30 FFEDHM COc1cc(/C=C2\S/C(=N/C3CC3)NC2=O)cc(Br)c1[O-] ZINC000849251299 749077798 /nfs/dbraw/zinc/07/77/98/749077798.db2.gz CNCJGWSXNUTPCY-WDZFZDKYSA-N -1 3 369.240 2.886 20 30 FFEDHM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819844687 945297377 /nfs/dbraw/zinc/29/73/77/945297377.db2.gz KRDMGBYHMZYMQO-GFCCVEGCSA-N -1 3 363.381 2.940 20 30 FFEDHM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819844687 945297386 /nfs/dbraw/zinc/29/73/86/945297386.db2.gz KRDMGBYHMZYMQO-GFCCVEGCSA-N -1 3 363.381 2.940 20 30 FFEDHM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737262573 945025101 /nfs/dbraw/zinc/02/51/01/945025101.db2.gz DUAVZDXAKNOYJG-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737262573 945025108 /nfs/dbraw/zinc/02/51/08/945025108.db2.gz DUAVZDXAKNOYJG-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737305338 945033694 /nfs/dbraw/zinc/03/36/94/945033694.db2.gz HIECUTVEWOFUMO-GOSISDBHSA-N -1 3 373.420 2.654 20 30 FFEDHM C=C(C)CN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823873414 946495721 /nfs/dbraw/zinc/49/57/21/946495721.db2.gz LXAFHVHZAZMCTC-UHFFFAOYSA-N -1 3 372.820 2.746 20 30 FFEDHM C=C(C)CN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823873414 946495727 /nfs/dbraw/zinc/49/57/27/946495727.db2.gz LXAFHVHZAZMCTC-UHFFFAOYSA-N -1 3 372.820 2.746 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000823904071 946512474 /nfs/dbraw/zinc/51/24/74/946512474.db2.gz UMSAJBPPNNAZJE-UHFFFAOYSA-N -1 3 351.410 2.650 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000823904071 946512484 /nfs/dbraw/zinc/51/24/84/946512484.db2.gz UMSAJBPPNNAZJE-UHFFFAOYSA-N -1 3 351.410 2.650 20 30 FFEDHM C=CCOCC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000823925333 946518975 /nfs/dbraw/zinc/51/89/75/946518975.db2.gz IEJFVNSBXWFMSO-UHFFFAOYSA-N -1 3 371.441 2.644 20 30 FFEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccc(Cl)cc1 ZINC001573280791 946668641 /nfs/dbraw/zinc/66/86/41/946668641.db2.gz SAXUELKKHGJHJG-INIZCTEOSA-N -1 3 351.797 2.933 20 30 FFEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccc(Cl)cc1 ZINC001573280791 946668643 /nfs/dbraw/zinc/66/86/43/946668643.db2.gz SAXUELKKHGJHJG-INIZCTEOSA-N -1 3 351.797 2.933 20 30 FFEDHM C#CCOc1ccc(COC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)cc1 ZINC001573288492 946868583 /nfs/dbraw/zinc/86/85/83/946868583.db2.gz LMWDYSGVUPWXNT-UHFFFAOYSA-N -1 3 362.389 2.853 20 30 FFEDHM C#CCOc1ccc(COC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)cc1 ZINC001573288492 946868595 /nfs/dbraw/zinc/86/85/95/946868595.db2.gz LMWDYSGVUPWXNT-UHFFFAOYSA-N -1 3 362.389 2.853 20 30 FFEDHM C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573295660 947026155 /nfs/dbraw/zinc/02/61/55/947026155.db2.gz HCLCYCTVSQTBIZ-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573295660 947026169 /nfs/dbraw/zinc/02/61/69/947026169.db2.gz HCLCYCTVSQTBIZ-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573298707 947079885 /nfs/dbraw/zinc/07/98/85/947079885.db2.gz FVWNZCOWGIHJTA-HUUCEWRRSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573298707 947079899 /nfs/dbraw/zinc/07/98/99/947079899.db2.gz FVWNZCOWGIHJTA-HUUCEWRRSA-N -1 3 369.473 2.623 20 30 FFEDHM CCC(CC)n1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000825113834 947079924 /nfs/dbraw/zinc/07/99/24/947079924.db2.gz GWENNSXBUAOKJI-UHFFFAOYSA-N -1 3 364.413 2.857 20 30 FFEDHM CCC(CC)n1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C ZINC000825113834 947079933 /nfs/dbraw/zinc/07/99/33/947079933.db2.gz GWENNSXBUAOKJI-UHFFFAOYSA-N -1 3 364.413 2.857 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573299743 947099033 /nfs/dbraw/zinc/09/90/33/947099033.db2.gz LMIVZSLSBOBAON-HIFRSBDPSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573299743 947099045 /nfs/dbraw/zinc/09/90/45/947099045.db2.gz LMIVZSLSBOBAON-HIFRSBDPSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573300655 947117661 /nfs/dbraw/zinc/11/76/61/947117661.db2.gz RMRYYQLDZWNTMC-LSDHHAIUSA-N -1 3 369.473 2.766 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573300655 947117669 /nfs/dbraw/zinc/11/76/69/947117669.db2.gz RMRYYQLDZWNTMC-LSDHHAIUSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573304544 947139126 /nfs/dbraw/zinc/13/91/26/947139126.db2.gz BKGCGSPKEXRVLZ-HDJSIYSDSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573304544 947139135 /nfs/dbraw/zinc/13/91/35/947139135.db2.gz BKGCGSPKEXRVLZ-HDJSIYSDSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(C)(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573305725 947161591 /nfs/dbraw/zinc/16/15/91/947161591.db2.gz UIQMIPMUFMWECM-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(C)(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573305725 947161598 /nfs/dbraw/zinc/16/15/98/947161598.db2.gz UIQMIPMUFMWECM-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001573308215 947187095 /nfs/dbraw/zinc/18/70/95/947187095.db2.gz ZMSVFVIZJDTKOB-UHFFFAOYSA-N -1 3 370.392 2.525 20 30 FFEDHM C=C[C@@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001573309721 947208184 /nfs/dbraw/zinc/20/81/84/947208184.db2.gz NLRUCERZBBUAOA-GOSISDBHSA-N -1 3 351.366 2.535 20 30 FFEDHM C=C[C@@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001573309721 947208194 /nfs/dbraw/zinc/20/81/94/947208194.db2.gz NLRUCERZBBUAOA-GOSISDBHSA-N -1 3 351.366 2.535 20 30 FFEDHM C=CC[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N)c1ccccc1 ZINC001573319116 947323917 /nfs/dbraw/zinc/32/39/17/947323917.db2.gz KHERNMJAVRMNSA-GFCCVEGCSA-N -1 3 352.373 2.886 20 30 FFEDHM C=CC[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001573319116 947323932 /nfs/dbraw/zinc/32/39/32/947323932.db2.gz KHERNMJAVRMNSA-GFCCVEGCSA-N -1 3 352.373 2.886 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573320410 947347179 /nfs/dbraw/zinc/34/71/79/947347179.db2.gz XPQCOEWJIRGUHW-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573320410 947347191 /nfs/dbraw/zinc/34/71/91/947347191.db2.gz XPQCOEWJIRGUHW-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000826162319 947512338 /nfs/dbraw/zinc/51/23/38/947512338.db2.gz WUOPLRFSQXQZBJ-ZDUSSCGKSA-N -1 3 364.409 2.937 20 30 FFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000826162319 947512346 /nfs/dbraw/zinc/51/23/46/947512346.db2.gz WUOPLRFSQXQZBJ-ZDUSSCGKSA-N -1 3 364.409 2.937 20 30 FFEDHM C=CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC1(CC)CC1 ZINC001573341569 947532114 /nfs/dbraw/zinc/53/21/14/947532114.db2.gz NYOXRTIHBCQHOL-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC1(CC)CC1 ZINC001573341569 947532128 /nfs/dbraw/zinc/53/21/28/947532128.db2.gz NYOXRTIHBCQHOL-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCCOCCNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001573342470 947541349 /nfs/dbraw/zinc/54/13/49/947541349.db2.gz YZOWJLHQXWRGFP-UHFFFAOYSA-N -1 3 363.425 2.981 20 30 FFEDHM C=CCCOCCNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001573342470 947541358 /nfs/dbraw/zinc/54/13/58/947541358.db2.gz YZOWJLHQXWRGFP-UHFFFAOYSA-N -1 3 363.425 2.981 20 30 FFEDHM N#Cc1ccc(C2=CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1 ZINC000826384960 948186132 /nfs/dbraw/zinc/18/61/32/948186132.db2.gz RKCWORBWGAITNI-UHFFFAOYSA-N -1 3 368.404 2.680 20 30 FFEDHM N#Cc1ccc(C2=CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000826384960 948186140 /nfs/dbraw/zinc/18/61/40/948186140.db2.gz RKCWORBWGAITNI-UHFFFAOYSA-N -1 3 368.404 2.680 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475397 948376012 /nfs/dbraw/zinc/37/60/12/948376012.db2.gz FHLFONUUDLRQSZ-WZUFQYTHSA-N -1 3 367.296 2.573 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475397 948376020 /nfs/dbraw/zinc/37/60/20/948376020.db2.gz FHLFONUUDLRQSZ-WZUFQYTHSA-N -1 3 367.296 2.573 20 30 FFEDHM Cc1cc(F)ccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1 ZINC000179488268 968809085 /nfs/dbraw/zinc/80/90/85/968809085.db2.gz LGAAUGZOZOGUIP-OAHLLOKOSA-N -1 3 363.352 2.676 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)COc1ccccc1 ZINC000066521241 969425130 /nfs/dbraw/zinc/42/51/30/969425130.db2.gz UHPDWOQFMPCZJU-CYBMUJFWSA-N -1 3 354.406 2.807 20 30 FFEDHM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3c([O-])cccc3O)CC2)C1=O ZINC001271854718 979154507 /nfs/dbraw/zinc/15/45/07/979154507.db2.gz DYXRJLSMLCNDOD-FQEVSTJZSA-N -1 3 358.438 2.519 20 30 FFEDHM C=CCC[C@H](NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC000908899875 981568957 /nfs/dbraw/zinc/56/89/57/981568957.db2.gz DKUPWIUSNQYJSA-ZWKOTPCHSA-N -1 3 359.470 2.851 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909095001 981620642 /nfs/dbraw/zinc/62/06/42/981620642.db2.gz RTYDTBHLFDFUKN-JQHSSLGASA-N -1 3 359.470 2.758 20 30 FFEDHM CC(=O)c1cccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000164728707 984398040 /nfs/dbraw/zinc/39/80/40/984398040.db2.gz JGIKHWSDFGXPEG-UHFFFAOYSA-N -1 3 352.390 2.742 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000913695754 986843271 /nfs/dbraw/zinc/84/32/71/986843271.db2.gz PYVWMBBSFVSZDO-MDZDMXLPSA-N -1 3 351.406 2.813 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@@]2(c3ccccc3)CCCO2)c1 ZINC000921916099 987338072 /nfs/dbraw/zinc/33/80/72/987338072.db2.gz ZNVMYGSWIKJMDD-LJQANCHMSA-N -1 3 374.437 2.823 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@]2(c3ccccc3)CCCO2)c1 ZINC000921916098 987338517 /nfs/dbraw/zinc/33/85/17/987338517.db2.gz ZNVMYGSWIKJMDD-IBGZPJMESA-N -1 3 374.437 2.823 20 30 FFEDHM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916269203 989770017 /nfs/dbraw/zinc/77/00/17/989770017.db2.gz XXWPGQOGAFZJCH-UHFFFAOYSA-N -1 3 370.409 2.969 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(C)C)nc2)c1 ZINC000916892619 990012860 /nfs/dbraw/zinc/01/28/60/990012860.db2.gz JITATILRHMKHQQ-INIZCTEOSA-N -1 3 353.378 2.839 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1n[n-]c2c1cccc2OC)c1ccc(C#N)cc1 ZINC000808675026 994220278 /nfs/dbraw/zinc/22/02/78/994220278.db2.gz UONOZACNADTDOE-KRWDZBQOSA-N -1 3 365.345 2.514 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1[n-]nc2c1cccc2OC)c1ccc(C#N)cc1 ZINC000808675026 994220287 /nfs/dbraw/zinc/22/02/87/994220287.db2.gz UONOZACNADTDOE-KRWDZBQOSA-N -1 3 365.345 2.514 20 30 FFEDHM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184919 995050394 /nfs/dbraw/zinc/05/03/94/995050394.db2.gz VSLOBUUQDSHTIA-KGLIPLIRSA-N -1 3 352.390 2.995 20 30 FFEDHM C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184487 995051746 /nfs/dbraw/zinc/05/17/46/995051746.db2.gz OSFHLOQJNQHOKW-GFCCVEGCSA-N -1 3 356.353 2.779 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nccc3cc[nH]c32)c(C)c1[O-] ZINC001152248168 1032132787 /nfs/dbraw/zinc/13/27/87/1032132787.db2.gz CFXVNTAYMUXLNI-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM COCCN(CCOc1ccccc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC001599237366 997970521 /nfs/dbraw/zinc/97/05/21/997970521.db2.gz WMBADVQJBSHVCK-UHFFFAOYSA-N -1 3 354.406 2.784 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000845846175 998666131 /nfs/dbraw/zinc/66/61/31/998666131.db2.gz RQYBPCWWHYFRPO-ZFWWWQNUSA-N -1 3 364.367 2.880 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCNC(=O)c1cccs1 ZINC000845837926 998670740 /nfs/dbraw/zinc/67/07/40/998670740.db2.gz SBFWJFIXUZVEFE-OAHLLOKOSA-N -1 3 366.442 2.878 20 30 FFEDHM CC(C)n1cnnc1SCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845839680 998670999 /nfs/dbraw/zinc/67/09/99/998670999.db2.gz JEQJPRRXMAKYCU-OAHLLOKOSA-N -1 3 368.462 2.961 20 30 FFEDHM COC(=O)c1cccc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1C#N ZINC001598996065 998780702 /nfs/dbraw/zinc/78/07/02/998780702.db2.gz OWTPAZXTLXXZIS-RTBURBONSA-N -1 3 364.401 2.645 20 30 FFEDHM CC(C)c1ccc2c(c1)C(=N[N-]S(=O)(=O)CCc1ccccc1)C(=O)N2 ZINC000743448146 999819296 /nfs/dbraw/zinc/81/92/96/999819296.db2.gz AGYRKXYNIHEUQD-UHFFFAOYSA-N -1 3 371.462 2.628 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2cc(N(C)C)nc3ccccc23)c1[O-] ZINC000743503076 999820804 /nfs/dbraw/zinc/82/08/04/999820804.db2.gz QESVKEMHUXSZLH-NHDPSOOVSA-N -1 3 350.422 2.821 20 30 FFEDHM Cc1ccccc1-c1nn(-c2ccccc2)cc1C=NN1CC(=O)[N-]C1=O ZINC000744810585 999874589 /nfs/dbraw/zinc/87/45/89/999874589.db2.gz SOIUPYUBKZXHAG-UHFFFAOYSA-N -1 3 359.389 2.733 20 30 FFEDHM CC(C)(C#N)c1ccccc1COC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000768016207 1000172483 /nfs/dbraw/zinc/17/24/83/1000172483.db2.gz AONIKBQTWSGKME-UHFFFAOYSA-N -1 3 352.390 2.667 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(F)ncc2F)c(C)c1[O-] ZINC001146971226 1000807247 /nfs/dbraw/zinc/80/72/47/1000807247.db2.gz LNOJIRGLJLFIAT-UHFFFAOYSA-N -1 3 361.304 2.675 20 30 FFEDHM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1ccc([O-])c(C(C)=O)c1)CC2 ZINC001148663321 1001193619 /nfs/dbraw/zinc/19/36/19/1001193619.db2.gz WYRIXPWOLFFXGI-OAQYLSRUSA-N -1 3 370.449 2.768 20 30 FFEDHM CC(C)Oc1ccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1C#N ZINC001148774748 1001209452 /nfs/dbraw/zinc/20/94/52/1001209452.db2.gz JIKFQUOCJWJHGH-UHFFFAOYSA-N -1 3 364.361 2.952 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nccc2nc(-c3ccccc3Cl)[nH]c21 ZINC001171362321 1001714514 /nfs/dbraw/zinc/71/45/14/1001714514.db2.gz BNQQCHNDEFJSSD-ZANVPECISA-N -1 3 357.801 2.926 20 30 FFEDHM Cc1nc2c(s1)c(-c1ccccc1)nnc2N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171362743 1001717552 /nfs/dbraw/zinc/71/75/52/1001717552.db2.gz LGIWDJLIYAFAIY-CABZTGNLSA-N -1 3 355.423 2.710 20 30 FFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1ccc(C(F)(F)F)cn1 ZINC000774320913 1001861230 /nfs/dbraw/zinc/86/12/30/1001861230.db2.gz STXOACYCWLMZPK-UHFFFAOYSA-N -1 3 369.234 2.916 20 30 FFEDHM CC(=O)c1cccc([O-])c1NC(=O)CN(CCC#N)C(=O)OC(C)(C)C ZINC001184857648 1002743524 /nfs/dbraw/zinc/74/35/24/1002743524.db2.gz YJHBIWFQYNXZIF-UHFFFAOYSA-N -1 3 361.398 2.684 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)NCCC(F)(F)F)c(C)c1[O-] ZINC001187010460 1003514537 /nfs/dbraw/zinc/51/45/37/1003514537.db2.gz IDYRFSPINDBSEH-UHFFFAOYSA-N -1 3 359.304 2.823 20 30 FFEDHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cccc(C#N)c3F)c2)o1 ZINC001192264613 1004109559 /nfs/dbraw/zinc/10/95/59/1004109559.db2.gz FKZHMBUPCGJJCR-UHFFFAOYSA-N -1 3 358.354 2.857 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC001193149951 1004390836 /nfs/dbraw/zinc/39/08/36/1004390836.db2.gz UEJWWGJKXDZTHM-LLVKDONJSA-N -1 3 351.815 2.968 20 30 FFEDHM Cc1cc(O)cc([O-])c1C(=O)N1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001193930464 1004607857 /nfs/dbraw/zinc/60/78/57/1004607857.db2.gz NKNCGIKYNAAEGN-QGZVFWFLSA-N -1 3 352.390 2.962 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)c(C)c1 ZINC001198943530 1004788654 /nfs/dbraw/zinc/78/86/54/1004788654.db2.gz IEFRKDIORVGPHN-UHFFFAOYSA-N -1 3 359.447 2.927 20 30 FFEDHM CCCCCCCCCCS(=O)(=O)[N-]C1(C(=O)OC)CCOCC1 ZINC001201836914 1005277243 /nfs/dbraw/zinc/27/72/43/1005277243.db2.gz JHMLPSURRUUNNV-UHFFFAOYSA-N -1 3 363.520 2.769 20 30 FFEDHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNc2ccc(C#N)cc2F)n1 ZINC000853975861 1006611123 /nfs/dbraw/zinc/61/11/23/1006611123.db2.gz JGSDFTFNEQELHL-UHFFFAOYSA-N -1 3 373.388 2.830 20 30 FFEDHM CCC1(CC)[C@H](OC)C[C@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000130943006 1006634252 /nfs/dbraw/zinc/63/42/52/1006634252.db2.gz CUOVZMKHWUUQJU-IAGOWNOFSA-N -1 3 360.454 2.933 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc2c(F)ccc(F)c2c1 ZINC000815915632 1006840654 /nfs/dbraw/zinc/84/06/54/1006840654.db2.gz URZRRYSATZTODL-LBPRGKRZSA-N -1 3 352.300 2.869 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581880 1006904240 /nfs/dbraw/zinc/90/42/40/1006904240.db2.gz BEQLQSZIALAHKP-CYBMUJFWSA-N -1 3 373.413 2.794 20 30 FFEDHM COc1cc(OC)nc(C(=O)[N-]c2nc(-c3ccc(C#N)s3)cs2)n1 ZINC001189224141 1006956166 /nfs/dbraw/zinc/95/61/66/1006956166.db2.gz SCAJFQCMSILPNE-UHFFFAOYSA-N -1 3 373.419 2.803 20 30 FFEDHM C[Si](C)(C)c1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC001189624261 1007189626 /nfs/dbraw/zinc/18/96/26/1007189626.db2.gz YGQSKURXMDYCPT-UHFFFAOYSA-N -1 3 350.541 2.643 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000816754655 1007192564 /nfs/dbraw/zinc/19/25/64/1007192564.db2.gz JGVPGAYOXDXSCF-MRXNPFEDSA-N -1 3 362.332 2.867 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccn3nccc3c2)c(C)c1[O-] ZINC001152840632 1032241213 /nfs/dbraw/zinc/24/12/13/1032241213.db2.gz MFWYAYZTLWHCLP-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC001190660736 1007720813 /nfs/dbraw/zinc/72/08/13/1007720813.db2.gz DYJSZVAKKDDERR-OAHLLOKOSA-N -1 3 368.817 2.753 20 30 FFEDHM COc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)CC2 ZINC001190669305 1007725625 /nfs/dbraw/zinc/72/56/25/1007725625.db2.gz MPMHLPFRFFWLMK-OAHLLOKOSA-N -1 3 360.410 2.542 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001190669040 1007725762 /nfs/dbraw/zinc/72/57/62/1007725762.db2.gz GESMEFGFAXUKEK-NVXWUHKLSA-N -1 3 360.410 2.896 20 30 FFEDHM COc1cccc(F)c1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190984054 1007860613 /nfs/dbraw/zinc/86/06/13/1007860613.db2.gz HHDFPGJRTUBASJ-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CC(C)(C#N)c1cccc(C(=O)Nc2ncc(Br)[n-]c2=O)c1 ZINC001190956562 1007865074 /nfs/dbraw/zinc/86/50/74/1007865074.db2.gz JFAYWDRKRNJWGC-UHFFFAOYSA-N -1 3 361.199 2.586 20 30 FFEDHM Cc1nc(-c2cnn(C)c2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000115903853 1008310933 /nfs/dbraw/zinc/31/09/33/1008310933.db2.gz ZUDASBUCFWYQAS-CQSZACIVSA-N -1 3 365.418 2.813 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CC23CCOCC3)c(C)c1[O-] ZINC001179316854 1009317109 /nfs/dbraw/zinc/31/71/09/1009317109.db2.gz FHAAGVVXWWZADF-AWEZNQCLSA-N -1 3 358.394 2.504 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OC3(C#N)CN(C(=O)OC(C)(C)C)C3)n[n-]2)o1 ZINC000774225138 1010529910 /nfs/dbraw/zinc/52/99/10/1010529910.db2.gz IIFGBBJAWLUUNA-UHFFFAOYSA-N -1 3 372.381 2.648 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OC3(C#N)CN(C(=O)OC(C)(C)C)C3)[n-]n2)o1 ZINC000774225138 1010529916 /nfs/dbraw/zinc/52/99/16/1010529916.db2.gz IIFGBBJAWLUUNA-UHFFFAOYSA-N -1 3 372.381 2.648 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN(C(=O)c3cc(CC)ccc3[O-])CC2)C1=O ZINC001274786928 1011655837 /nfs/dbraw/zinc/65/58/37/1011655837.db2.gz OHRLYYLGLJKVAH-NRFANRHFSA-N -1 3 356.466 2.985 20 30 FFEDHM CCOc1ccc(-n2ncc(C(=O)N([O-])Cc3ccc(F)cc3)c2C)nn1 ZINC000901376670 1019018159 /nfs/dbraw/zinc/01/81/59/1019018159.db2.gz YCLXYBVRNLPMCH-UHFFFAOYSA-N -1 3 371.372 2.540 20 30 FFEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000901376830 1019018498 /nfs/dbraw/zinc/01/84/98/1019018498.db2.gz ZOXQTGQWMOETCA-UHFFFAOYSA-N -1 3 371.328 2.655 20 30 FFEDHM CCOC(=O)[C@@H](CC(C)C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000801818851 1019414842 /nfs/dbraw/zinc/41/48/42/1019414842.db2.gz XGIAMZQMIOHMEF-MRXNPFEDSA-N -1 3 362.426 2.729 20 30 FFEDHM Cc1nc(-c2ccc(NC(=O)NCC#C[C@H]3CCCCO3)cc2)cc(=O)[n-]1 ZINC000929762818 1019635830 /nfs/dbraw/zinc/63/58/30/1019635830.db2.gz JBXKCAKIXHOPNE-QGZVFWFLSA-N -1 3 366.421 2.852 20 30 FFEDHM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000802048871 1019673429 /nfs/dbraw/zinc/67/34/29/1019673429.db2.gz MCOSIQNHEHOLAD-HNNXBMFYSA-N -1 3 363.352 2.676 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1 ZINC000726321418 1020452759 /nfs/dbraw/zinc/45/27/59/1020452759.db2.gz JPULLNUFXZCEFI-GFCCVEGCSA-N -1 3 369.333 2.573 20 30 FFEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1C ZINC001122502049 1023307282 /nfs/dbraw/zinc/30/72/82/1023307282.db2.gz CFPIBZAZNRKFTM-GFCCVEGCSA-N -1 3 360.801 2.606 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001122566117 1023342797 /nfs/dbraw/zinc/34/27/97/1023342797.db2.gz CDPCEPLHOLWISR-OAHLLOKOSA-N -1 3 368.363 2.796 20 30 FFEDHM COCc1ccsc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000779195598 1023343112 /nfs/dbraw/zinc/34/31/12/1023343112.db2.gz YPHSXWOJKJQKCF-CYBMUJFWSA-N -1 3 372.402 2.627 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)cn2)cc1 ZINC000753533217 1023348127 /nfs/dbraw/zinc/34/81/27/1023348127.db2.gz NFNWTRFGGNOGSQ-OAHLLOKOSA-N -1 3 351.362 2.528 20 30 FFEDHM COc1cc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc(Cl)c1OC ZINC001121020051 1023572261 /nfs/dbraw/zinc/57/22/61/1023572261.db2.gz HRPSFZGRKLJUFY-UHFFFAOYSA-N -1 3 366.826 2.596 20 30 FFEDHM COc1ccc([C@@]2(C)NC(=O)N(N=Cc3c([O-])cccc3Cl)C2=O)cc1 ZINC000755557082 1023609649 /nfs/dbraw/zinc/60/96/49/1023609649.db2.gz YQLMFAUGWGCHCV-GOSISDBHSA-N -1 3 373.796 2.855 20 30 FFEDHM CC(C)c1nc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccccn21 ZINC000755641368 1023618116 /nfs/dbraw/zinc/61/81/16/1023618116.db2.gz XDABXUPQKVJRGN-UHFFFAOYSA-N -1 3 367.434 2.530 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCSC(CC)(CC)C1 ZINC001121532698 1023831899 /nfs/dbraw/zinc/83/18/99/1023831899.db2.gz HKQLCLFLFDRXPX-UHFFFAOYSA-N -1 3 360.487 2.739 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001121546805 1023841645 /nfs/dbraw/zinc/84/16/45/1023841645.db2.gz WJCJXXVRQPYVML-INIZCTEOSA-N -1 3 367.409 2.793 20 30 FFEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001121601323 1023874298 /nfs/dbraw/zinc/87/42/98/1023874298.db2.gz LFXXSEDKUILZBW-LBPRGKRZSA-N -1 3 372.864 2.613 20 30 FFEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001121601323 1023874303 /nfs/dbraw/zinc/87/43/03/1023874303.db2.gz LFXXSEDKUILZBW-LBPRGKRZSA-N -1 3 372.864 2.613 20 30 FFEDHM C#Cc1cccc(NC(=O)CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000079400543 1024259440 /nfs/dbraw/zinc/25/94/40/1024259440.db2.gz FNSKVMDWWOQPIP-UHFFFAOYSA-N -1 3 354.381 2.786 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1C ZINC000193471094 1024535150 /nfs/dbraw/zinc/53/51/50/1024535150.db2.gz LSKLTVUQDVNOHE-CYBMUJFWSA-N -1 3 354.410 2.916 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000837501264 1025852828 /nfs/dbraw/zinc/85/28/28/1025852828.db2.gz MAWCSYNLIXTJGS-KRWDZBQOSA-N -1 3 364.405 2.643 20 30 FFEDHM C[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000838139735 1026223138 /nfs/dbraw/zinc/22/31/38/1026223138.db2.gz CJIGGZLTWDCQBA-CQSZACIVSA-N -1 3 370.380 2.952 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc2c(Br)cccc12 ZINC001141463225 1026352015 /nfs/dbraw/zinc/35/20/15/1026352015.db2.gz IBSHPCZFDHXQQE-CQSZACIVSA-N -1 3 363.211 2.712 20 30 FFEDHM Cc1onc(CC(=O)Nc2n[n-]c(SCc3ccc(C)cc3)n2)c1C#N ZINC001159364180 1027367177 /nfs/dbraw/zinc/36/71/77/1027367177.db2.gz XGLAGTVSWXZELM-UHFFFAOYSA-N -1 3 368.422 2.755 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3ccc4c(C#N)c[nH]c4c3)[n-]nc21 ZINC001154147570 1028164914 /nfs/dbraw/zinc/16/49/14/1028164914.db2.gz YALAYXXHGUGMMY-UHFFFAOYSA-N -1 3 359.345 2.955 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3ccc4c(C#N)c[nH]c4c3)n[n-]c21 ZINC001154147570 1028164921 /nfs/dbraw/zinc/16/49/21/1028164921.db2.gz YALAYXXHGUGMMY-UHFFFAOYSA-N -1 3 359.345 2.955 20 30 FFEDHM C[C@@H]1CN(c2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cn2)C[C@@H](C)O1 ZINC001161842689 1028331723 /nfs/dbraw/zinc/33/17/23/1028331723.db2.gz LTZAHINVJORRRI-ZIAGYGMSSA-N -1 3 359.401 2.866 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3cncc4ccccc43)cc(=O)c2c1 ZINC001154561293 1028356746 /nfs/dbraw/zinc/35/67/46/1028356746.db2.gz ZFBKAGKFQFHMSC-UHFFFAOYSA-N -1 3 354.369 2.878 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C2CCC(Oc3ncccc3C#N)CC2)c1[O-] ZINC000782194154 1029606468 /nfs/dbraw/zinc/60/64/68/1029606468.db2.gz GWVPSFCURKOKHR-MYKKPKGFSA-N -1 3 366.421 2.664 20 30 FFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(Cc2cccnc2)nn1 ZINC000783702539 1030243284 /nfs/dbraw/zinc/24/32/84/1030243284.db2.gz ZDKNKVZYXCWKKE-LLUUXILJSA-N -1 3 350.353 2.950 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@H](O/C(=N\[O-])c2ccccn2)[C@H](F)C1 ZINC001223978741 1033669422 /nfs/dbraw/zinc/66/94/22/1033669422.db2.gz ZDXVPMSOMXLBQX-MVPRXGHUSA-N -1 3 353.394 2.972 20 30 FFEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1sc(=O)[n-]c1Cl ZINC001277139740 1034747499 /nfs/dbraw/zinc/74/74/99/1034747499.db2.gz HAHUTCPQTPVGEY-MRXNPFEDSA-N -1 3 368.890 2.763 20 30 FFEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C2(C)CC2)no1 ZINC000834882168 1035469199 /nfs/dbraw/zinc/46/91/99/1035469199.db2.gz JZVAIJBTCWWCBQ-ZDUSSCGKSA-N -1 3 374.466 2.947 20 30 FFEDHM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140466890 1035486374 /nfs/dbraw/zinc/48/63/74/1035486374.db2.gz LDUFGTQHDPTMBS-INIZCTEOSA-N -1 3 362.861 2.959 20 30 FFEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1ncc(Br)cc1[O-] ZINC001228956817 1036430883 /nfs/dbraw/zinc/43/08/83/1036430883.db2.gz RALCUKVNZVQBGJ-LBPRGKRZSA-N -1 3 372.291 2.741 20 30 FFEDHM C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1cc(Cl)c([O-])cc1C ZINC001233591907 1036690313 /nfs/dbraw/zinc/69/03/13/1036690313.db2.gz IACYNKXNNYNAIX-GFCCVEGCSA-N -1 3 354.786 2.950 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234510850 1037068282 /nfs/dbraw/zinc/06/82/82/1037068282.db2.gz GTLRVCPEUYWNBK-CYBMUJFWSA-N -1 3 370.409 2.985 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2[n-]c(=O)nc3cccc(Cl)c32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001230886265 1037395563 /nfs/dbraw/zinc/39/55/63/1037395563.db2.gz PQFPZGXTVDFIRK-GZCFXPHUSA-N -1 3 364.785 2.799 20 30 FFEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1ccc(C(=O)[O-])cc1O)CCO2 ZINC001231451519 1037590850 /nfs/dbraw/zinc/59/08/50/1037590850.db2.gz NIKGGAPBXKJCBE-YLJYHZDGSA-N -1 3 361.438 2.664 20 30 FFEDHM CCOC(=O)C1(C#N)CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236698357 1038199902 /nfs/dbraw/zinc/19/99/02/1038199902.db2.gz KRRQHZZUGOIHAC-UHFFFAOYSA-N -1 3 367.243 2.824 20 30 FFEDHM COc1cccc(S(=O)(=O)[N-]c2ccc(C#N)nc2Br)c1 ZINC001259183686 1039777233 /nfs/dbraw/zinc/77/72/33/1039777233.db2.gz ZJMXFZNHVBSRLC-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc(F)c1F ZINC001259370361 1039948927 /nfs/dbraw/zinc/94/89/27/1039948927.db2.gz MEGZRCILAXXRRX-UHFFFAOYSA-N -1 3 360.345 2.823 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)OCC ZINC001254752733 1040930432 /nfs/dbraw/zinc/93/04/32/1040930432.db2.gz AYPZHIAJUYZYMP-LLVKDONJSA-N -1 3 369.336 2.631 20 30 FFEDHM N#Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccn1 ZINC001214062567 1041202871 /nfs/dbraw/zinc/20/28/71/1041202871.db2.gz ZVIWREMDKOMPPX-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM COC([O-])=NC(=S)N(c1ccc(OC)c(C#N)c1)c1ccccc1N ZINC001215006259 1041641984 /nfs/dbraw/zinc/64/19/84/1041641984.db2.gz FCZIYVSAAWGZKW-UHFFFAOYSA-N -1 3 356.407 2.928 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(Nc2cccc(Cl)c2C#N)c([O-])c1 ZINC001216127845 1041959236 /nfs/dbraw/zinc/95/92/36/1041959236.db2.gz MJMWBKFZUDSXRN-UHFFFAOYSA-N -1 3 351.815 2.911 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@H]3C3OCCO3)n2C)c1[O-] ZINC001262918489 1041959843 /nfs/dbraw/zinc/95/98/43/1041959843.db2.gz QBKRUPDQSHRFHU-INIZCTEOSA-N -1 3 370.453 2.648 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001262962119 1041991880 /nfs/dbraw/zinc/99/18/80/1041991880.db2.gz FJBGJBLXQIEGBC-HNNXBMFYSA-N -1 3 371.372 2.542 20 30 FFEDHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N[C@@H]1CCCN([O-])C1=O ZINC001216287119 1041993990 /nfs/dbraw/zinc/99/39/90/1041993990.db2.gz SBAOFYURFFFXTL-MRXNPFEDSA-N -1 3 365.393 2.527 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn2ccncc12 ZINC001263293691 1042225513 /nfs/dbraw/zinc/22/55/13/1042225513.db2.gz WNZDXXHVRVHUEA-JTQLQIEISA-N -1 3 374.187 2.997 20 30 FFEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC001310108630 1043637198 /nfs/dbraw/zinc/63/71/98/1043637198.db2.gz UANQAOPOCUMIMR-MSOLQXFVSA-N -1 3 364.405 2.844 20 30 FFEDHM COc1cc(C(=O)[O-])ccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240735991 1044417852 /nfs/dbraw/zinc/41/78/52/1044417852.db2.gz SIZFWFXSMVEROX-CYBMUJFWSA-N -1 3 369.377 2.799 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2)OCC ZINC001282601938 1045947416 /nfs/dbraw/zinc/94/74/16/1045947416.db2.gz FOZFWOTXSQVIFQ-QSOKESPWSA-N -1 3 372.465 2.625 20 30 FFEDHM C=CCC(CC=C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001288914699 1047524027 /nfs/dbraw/zinc/52/40/27/1047524027.db2.gz QDRSVZLTIPDASY-FUHWJXTLSA-N -1 3 354.450 2.834 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC001290516829 1048188046 /nfs/dbraw/zinc/18/80/46/1048188046.db2.gz VEYIPVRWJKUHDQ-CVEARBPZSA-N -1 3 356.466 2.915 20 30 FFEDHM CCCCCCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001291907165 1048983326 /nfs/dbraw/zinc/98/33/26/1048983326.db2.gz CPTTVCMFXVJUNQ-PVAVHDDUSA-N -1 3 374.485 2.795 20 30 FFEDHM C=C[C@H](C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC001294673949 1049792549 /nfs/dbraw/zinc/79/25/49/1049792549.db2.gz WQHRLBRWJIYOSI-IBGZPJMESA-N -1 3 350.418 2.646 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC001298086197 1050375695 /nfs/dbraw/zinc/37/56/95/1050375695.db2.gz OIUCBMVLZXWGQZ-FQEVSTJZSA-N -1 3 365.389 2.524 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001341868294 1050476166 /nfs/dbraw/zinc/47/61/66/1050476166.db2.gz LOYMGMPNBMTDBP-CYBMUJFWSA-N -1 3 355.780 2.528 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001341868294 1050476167 /nfs/dbraw/zinc/47/61/67/1050476167.db2.gz LOYMGMPNBMTDBP-CYBMUJFWSA-N -1 3 355.780 2.528 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1c(F)cc(C#N)cc1F ZINC001340221817 1050628912 /nfs/dbraw/zinc/62/89/12/1050628912.db2.gz GQQDFQYUAKRKCT-UHFFFAOYSA-N -1 3 355.341 2.959 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(F)(F)CC1 ZINC001340224790 1050632713 /nfs/dbraw/zinc/63/27/13/1050632713.db2.gz XDQAZCUAQAQUEW-UHFFFAOYSA-N -1 3 362.384 2.740 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001340573953 1050960576 /nfs/dbraw/zinc/96/05/76/1050960576.db2.gz ZYQHHZBALWKHEJ-HNNXBMFYSA-N -1 3 368.363 2.714 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(F)F)cn2)cc1 ZINC001342595373 1051202412 /nfs/dbraw/zinc/20/24/12/1051202412.db2.gz KKWDESADRBVWPA-ZDUSSCGKSA-N -1 3 361.304 2.653 20 30 FFEDHM COC(=O)c1ccc(NCc2ccc([O-])c(Br)c2)c(C#N)n1 ZINC001307000656 1052233788 /nfs/dbraw/zinc/23/37/88/1052233788.db2.gz IMJYNLZRSAESCE-UHFFFAOYSA-N -1 3 362.183 2.820 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001345973067 1052690989 /nfs/dbraw/zinc/69/09/89/1052690989.db2.gz DOECGKZVNRZZNZ-HNNXBMFYSA-N -1 3 354.458 2.952 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c(Cl)c1 ZINC001346248955 1052804100 /nfs/dbraw/zinc/80/41/00/1052804100.db2.gz YVBMQQOBHQZSNH-PWSUYJOCSA-N -1 3 356.831 2.951 20 30 FFEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2cnc[n-]c2=O)n1C[C@H]1CCCO1 ZINC001347905032 1054443147 /nfs/dbraw/zinc/44/31/47/1054443147.db2.gz BKMSPABUVIIJCZ-HUUCEWRRSA-N -1 3 370.457 2.555 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-]Cc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001337805232 1055028913 /nfs/dbraw/zinc/02/89/13/1055028913.db2.gz OUMBVQBLSIRXTJ-UHFFFAOYSA-N -1 3 357.300 2.808 20 30 FFEDHM C=C[C@H](CC(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001349214444 1055146039 /nfs/dbraw/zinc/14/60/39/1055146039.db2.gz UOSMZKPTLXGYBG-SJLPKXTDSA-N -1 3 366.465 2.936 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)OC)C3)n2CC)c1[O-] ZINC001352926492 1055938890 /nfs/dbraw/zinc/93/88/90/1055938890.db2.gz PCTLEWLLKSAYNL-OAHLLOKOSA-N -1 3 370.453 2.789 20 30 FFEDHM CC1(C)CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@H]1C#N ZINC001338962712 1055969406 /nfs/dbraw/zinc/96/94/06/1055969406.db2.gz FECDHHYLYZEECW-AWEZNQCLSA-N -1 3 369.874 2.866 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)CCc1ccccc1F ZINC001339069583 1056064744 /nfs/dbraw/zinc/06/47/44/1056064744.db2.gz OWQDMWIPDFOAQP-UHFFFAOYSA-N -1 3 368.416 2.753 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001339209645 1056208069 /nfs/dbraw/zinc/20/80/69/1056208069.db2.gz CLISNOGIRKMXDG-GFCCVEGCSA-N -1 3 361.759 2.681 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001339209645 1056208086 /nfs/dbraw/zinc/20/80/86/1056208086.db2.gz CLISNOGIRKMXDG-GFCCVEGCSA-N -1 3 361.759 2.681 20 30 FFEDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H](CC#N)C1 ZINC001351385115 1056237614 /nfs/dbraw/zinc/23/76/14/1056237614.db2.gz ZSKPETFZFOENKM-LLVKDONJSA-N -1 3 354.439 2.927 20 30 FFEDHM N#Cc1ccc(CCOC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000849685070 1056970821 /nfs/dbraw/zinc/97/08/21/1056970821.db2.gz MDTKHLMJYCLALF-SFHVURJKSA-N -1 3 364.401 2.654 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)OC)n2C[C@H]2CCCO2)c1[O-] ZINC001518118949 1058273907 /nfs/dbraw/zinc/27/39/07/1058273907.db2.gz SQILDNIWNWPEFE-OAHLLOKOSA-N -1 3 358.442 2.946 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=S)NCc2ccco2)c(C)c1[O-] ZINC001200567391 1058615022 /nfs/dbraw/zinc/61/50/22/1058615022.db2.gz FOWZECCSDAKCLE-UHFFFAOYSA-N -1 3 359.407 2.829 20 30 FFEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N1CCS(=O)CC1 ZINC001520231922 1059516253 /nfs/dbraw/zinc/51/62/53/1059516253.db2.gz CGYWWDBLZDXKKM-UHFFFAOYSA-N -1 3 372.494 2.524 20 30 FFEDHM COc1ccc(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])cc1C#N ZINC001454986498 1059658894 /nfs/dbraw/zinc/65/88/94/1059658894.db2.gz JLHMQDWTPSDCSM-UHFFFAOYSA-N -1 3 355.300 2.939 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCc2cc(F)ccc2C1 ZINC001520596297 1059854511 /nfs/dbraw/zinc/85/45/11/1059854511.db2.gz LLDZZAWLVKHGIW-UHFFFAOYSA-N -1 3 359.796 2.604 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCc2cc(F)ccc2C1 ZINC001520596297 1059854527 /nfs/dbraw/zinc/85/45/27/1059854527.db2.gz LLDZZAWLVKHGIW-UHFFFAOYSA-N -1 3 359.796 2.604 20 30 FFEDHM CCn1c(C)cc2n[n-]c(NC(=O)c3cccc(SCC#N)c3)c2c1=O ZINC001457891872 1060466154 /nfs/dbraw/zinc/46/61/54/1060466154.db2.gz ZLSIDGKXDFVTKA-UHFFFAOYSA-N -1 3 367.434 2.921 20 30 FFEDHM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1)C2=O ZINC001458017941 1060490672 /nfs/dbraw/zinc/49/06/72/1060490672.db2.gz SCJPJUZRFCDLLF-LBPRGKRZSA-N -1 3 356.353 2.537 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001475402540 1061076892 /nfs/dbraw/zinc/07/68/92/1061076892.db2.gz CFCYKROQMHQHGI-HNNXBMFYSA-N -1 3 357.391 2.822 20 30 FFEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(S(=O)(=O)CC)ccc1Cl ZINC001526593008 1061176930 /nfs/dbraw/zinc/17/69/30/1061176930.db2.gz BCPCSFPPRGNWOG-CYBMUJFWSA-N -1 3 365.842 2.840 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CC2CCC2)ccc1F ZINC001461925225 1061453831 /nfs/dbraw/zinc/45/38/31/1061453831.db2.gz HCGAJULJTWZFKK-GFCCVEGCSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C(=O)OCC ZINC001463497899 1062131004 /nfs/dbraw/zinc/13/10/04/1062131004.db2.gz NYUGVTDPQLPRDS-ZDUSSCGKSA-N -1 3 366.464 2.596 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC=C(Br)C1 ZINC001524189632 1062749501 /nfs/dbraw/zinc/74/95/01/1062749501.db2.gz QDPJZLAJOFWNBB-UHFFFAOYSA-N -1 3 366.219 2.704 20 30 FFEDHM C=CCCOCC(=O)Nc1[n-]nc(C)c1C(=O)Nc1ccccc1OC ZINC001471034723 1064532240 /nfs/dbraw/zinc/53/22/40/1064532240.db2.gz QDZKGVZYWGPVRD-UHFFFAOYSA-N -1 3 358.398 2.510 20 30 FFEDHM C=CCC[C@H](O)CN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001473727539 1065334977 /nfs/dbraw/zinc/33/49/77/1065334977.db2.gz KEUUXYJYJLFMQQ-KGLIPLIRSA-N -1 3 356.388 2.986 20 30 FFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001578495623 1078482821 /nfs/dbraw/zinc/48/28/21/1078482821.db2.gz OUMUNEISGIEWJJ-UHFFFAOYSA-N -1 3 362.393 2.586 20 30 FFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC001578495623 1078482826 /nfs/dbraw/zinc/48/28/26/1078482826.db2.gz OUMUNEISGIEWJJ-UHFFFAOYSA-N -1 3 362.393 2.586 20 30 FFEDHM N#Cc1cc(F)cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001581866884 1079010705 /nfs/dbraw/zinc/01/07/05/1079010705.db2.gz ZHFQSPAYTJKUQM-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1cc(F)cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001581866884 1079010713 /nfs/dbraw/zinc/01/07/13/1079010713.db2.gz ZHFQSPAYTJKUQM-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1ncc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc1C#N ZINC001581885185 1079012659 /nfs/dbraw/zinc/01/26/59/1079012659.db2.gz QLYYKXWBUGGATK-UHFFFAOYSA-N -1 3 374.311 2.570 20 30 FFEDHM N#Cc1ncc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc1C#N ZINC001581885185 1079012668 /nfs/dbraw/zinc/01/26/68/1079012668.db2.gz QLYYKXWBUGGATK-UHFFFAOYSA-N -1 3 374.311 2.570 20 30 FFEDHM O=C(c1[nH]c2ccccc2c1-c1nnn[n-]1)N(O)Cc1ccc(F)cc1 ZINC001582665512 1079096711 /nfs/dbraw/zinc/09/67/11/1079096711.db2.gz ZVOLILVXTFFXOJ-UHFFFAOYSA-N -1 3 352.329 2.519 20 30 FFEDHM CCNS(=O)(=O)c1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001559032915 1076117540 /nfs/dbraw/zinc/11/75/40/1076117540.db2.gz NTQXYLDGZJAEEN-UHFFFAOYSA-N -1 3 368.842 2.670 20 30 FFEDHM CCOc1ccc(N2C[C@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC001559036280 1076118260 /nfs/dbraw/zinc/11/82/60/1076118260.db2.gz BHKBDMKSZBUHGD-OAHLLOKOSA-N -1 3 372.396 2.995 20 30 FFEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC001561230827 1076349315 /nfs/dbraw/zinc/34/93/15/1076349315.db2.gz WTTVWGJLDCPJNK-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC001561913165 1076443434 /nfs/dbraw/zinc/44/34/34/1076443434.db2.gz MPMHPLMGDHPOCB-CJNGLKHVSA-N -1 3 366.801 2.962 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC001561913167 1076444012 /nfs/dbraw/zinc/44/40/12/1076444012.db2.gz MPMHPLMGDHPOCB-XJKSGUPXSA-N -1 3 366.801 2.962 20 30 FFEDHM Cc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCN([O-])C3=O)cn2)c1C ZINC001562390631 1076492272 /nfs/dbraw/zinc/49/22/72/1076492272.db2.gz QOLHXFYHYWZDKM-OAHLLOKOSA-N -1 3 370.409 2.992 20 30 FFEDHM C#C[C@H](NC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC001588327124 1079984084 /nfs/dbraw/zinc/98/40/84/1079984084.db2.gz CEAKXHQGXIKEJT-KRWDZBQOSA-N -1 3 361.380 2.528 20 30 FFEDHM C#C[C@H](NC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC001588327124 1079984087 /nfs/dbraw/zinc/98/40/87/1079984087.db2.gz CEAKXHQGXIKEJT-KRWDZBQOSA-N -1 3 361.380 2.528 20 30 FFEDHM C#CC[C@H](CC)c1nnc(N(C)Cc2cc(-c3nnn[n-]3)cs2)n1CC ZINC001588330646 1079987345 /nfs/dbraw/zinc/98/73/45/1079987345.db2.gz BWRLWQMADAOODU-LBPRGKRZSA-N -1 3 370.486 2.693 20 30 FFEDHM C#CC[C@H](CC)c1nnc(N(C)Cc2cc(-c3nn[n-]n3)cs2)n1CC ZINC001588330646 1079987349 /nfs/dbraw/zinc/98/73/49/1079987349.db2.gz BWRLWQMADAOODU-LBPRGKRZSA-N -1 3 370.486 2.693 20 30 FFEDHM C#CC[C@H](NC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)c1ccccc1 ZINC001588333648 1079987669 /nfs/dbraw/zinc/98/76/69/1079987669.db2.gz AKSIZUKRVCTRJI-KRWDZBQOSA-N -1 3 356.389 2.842 20 30 FFEDHM C#CC[C@H](NC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)c1ccccc1 ZINC001588333648 1079987671 /nfs/dbraw/zinc/98/76/71/1079987671.db2.gz AKSIZUKRVCTRJI-KRWDZBQOSA-N -1 3 356.389 2.842 20 30 FFEDHM C#CC[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Br)c2F)C1 ZINC001588336823 1079989188 /nfs/dbraw/zinc/98/91/88/1079989188.db2.gz FSEDZVUGAWWGDC-VIFPVBQESA-N -1 3 350.195 2.618 20 30 FFEDHM C#CC[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Br)c2F)C1 ZINC001588336823 1079989189 /nfs/dbraw/zinc/98/91/89/1079989189.db2.gz FSEDZVUGAWWGDC-VIFPVBQESA-N -1 3 350.195 2.618 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588364522 1079994984 /nfs/dbraw/zinc/99/49/84/1079994984.db2.gz FHLSPTJVIBKOLQ-ZQIUZPCESA-N -1 3 352.442 2.761 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588364522 1079994991 /nfs/dbraw/zinc/99/49/91/1079994991.db2.gz FHLSPTJVIBKOLQ-ZQIUZPCESA-N -1 3 352.442 2.761 20 30 FFEDHM C#Cc1cccc(CNc2cc(-c3nnn[n-]3)c(Br)cn2)c1 ZINC001588374627 1079997230 /nfs/dbraw/zinc/99/72/30/1079997230.db2.gz FBHUJPICLHJEHG-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C#Cc1cccc(CNc2cc(-c3nn[n-]n3)c(Br)cn2)c1 ZINC001588374627 1079997236 /nfs/dbraw/zinc/99/72/36/1079997236.db2.gz FBHUJPICLHJEHG-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C=C(Br)CNc1cccc(Br)c1-c1nnn[n-]1 ZINC001588391986 1080003786 /nfs/dbraw/zinc/00/37/86/1080003786.db2.gz SQRXGIDNHNADBQ-UHFFFAOYSA-N -1 3 359.025 2.950 20 30 FFEDHM C=C(Br)CNc1cccc(Br)c1-c1nn[n-]n1 ZINC001588391986 1080003793 /nfs/dbraw/zinc/00/37/93/1080003793.db2.gz SQRXGIDNHNADBQ-UHFFFAOYSA-N -1 3 359.025 2.950 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588400692 1080010758 /nfs/dbraw/zinc/01/07/58/1080010758.db2.gz DRJIGJYDGITNSO-OAHLLOKOSA-N -1 3 354.458 2.508 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588400692 1080010764 /nfs/dbraw/zinc/01/07/64/1080010764.db2.gz DRJIGJYDGITNSO-OAHLLOKOSA-N -1 3 354.458 2.508 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588403936 1080011555 /nfs/dbraw/zinc/01/15/55/1080011555.db2.gz ADTKCCULVJUZNB-NSHDSACASA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588403936 1080011562 /nfs/dbraw/zinc/01/15/62/1080011562.db2.gz ADTKCCULVJUZNB-NSHDSACASA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)CCC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588409898 1080013656 /nfs/dbraw/zinc/01/36/56/1080013656.db2.gz JBEBQDGNXSNIMT-UHFFFAOYSA-N -1 3 357.462 2.515 20 30 FFEDHM C=C(C)CCC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588409898 1080013664 /nfs/dbraw/zinc/01/36/64/1080013664.db2.gz JBEBQDGNXSNIMT-UHFFFAOYSA-N -1 3 357.462 2.515 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)CC(C)C ZINC001588415042 1080017180 /nfs/dbraw/zinc/01/71/80/1080017180.db2.gz BATUBHACHYLCRG-CQSZACIVSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)CC(C)C ZINC001588415042 1080017188 /nfs/dbraw/zinc/01/71/88/1080017188.db2.gz BATUBHACHYLCRG-CQSZACIVSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)Cn1c(-c2cncc(-c3nnn[n-]3)c2)nnc1N(CCC)CCC ZINC001588436032 1080027557 /nfs/dbraw/zinc/02/75/57/1080027557.db2.gz HHPJHAPYSJXZJA-UHFFFAOYSA-N -1 3 367.461 2.723 20 30 FFEDHM C=C(C)Cn1c(-c2cncc(-c3nn[n-]n3)c2)nnc1N(CCC)CCC ZINC001588436032 1080027564 /nfs/dbraw/zinc/02/75/64/1080027564.db2.gz HHPJHAPYSJXZJA-UHFFFAOYSA-N -1 3 367.461 2.723 20 30 FFEDHM C=C1CC(C)(C(=O)NCC2CC(Nc3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001588454809 1080032593 /nfs/dbraw/zinc/03/25/93/1080032593.db2.gz ISKNRSIPWXFQJC-UHFFFAOYSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)NCC2CC(Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001588454809 1080032601 /nfs/dbraw/zinc/03/26/01/1080032601.db2.gz ISKNRSIPWXFQJC-UHFFFAOYSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1CCC(CNC(=O)Nc2cc(OC)c(-c3nnn[n-]3)cc2F)CC1 ZINC001588462068 1080037252 /nfs/dbraw/zinc/03/72/52/1080037252.db2.gz CBXFMCWDGRESSD-UHFFFAOYSA-N -1 3 360.393 2.882 20 30 FFEDHM C=C1CCC(CNC(=O)Nc2cc(OC)c(-c3nn[n-]n3)cc2F)CC1 ZINC001588462068 1080037258 /nfs/dbraw/zinc/03/72/58/1080037258.db2.gz CBXFMCWDGRESSD-UHFFFAOYSA-N -1 3 360.393 2.882 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588484394 1080048044 /nfs/dbraw/zinc/04/80/44/1080048044.db2.gz CABRFZPZELFSHV-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588484394 1080048056 /nfs/dbraw/zinc/04/80/56/1080048056.db2.gz CABRFZPZELFSHV-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588484332 1080048506 /nfs/dbraw/zinc/04/85/06/1080048506.db2.gz AYJCIDOPBDSKTO-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588484332 1080048513 /nfs/dbraw/zinc/04/85/13/1080048513.db2.gz AYJCIDOPBDSKTO-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588484939 1080049859 /nfs/dbraw/zinc/04/98/59/1080049859.db2.gz SHJIYGIARDQYFF-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588484939 1080049866 /nfs/dbraw/zinc/04/98/66/1080049866.db2.gz SHJIYGIARDQYFF-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588484972 1080049947 /nfs/dbraw/zinc/04/99/47/1080049947.db2.gz TXAAJAZPKOZIHF-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588484972 1080049952 /nfs/dbraw/zinc/04/99/52/1080049952.db2.gz TXAAJAZPKOZIHF-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC001588486695 1080050046 /nfs/dbraw/zinc/05/00/46/1080050046.db2.gz ILTARIZYFHCTMG-UHFFFAOYSA-N -1 3 363.443 2.954 20 30 FFEDHM C=CC(C)(C)CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC001588486695 1080050050 /nfs/dbraw/zinc/05/00/50/1080050050.db2.gz ILTARIZYFHCTMG-UHFFFAOYSA-N -1 3 363.443 2.954 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588491302 1080054389 /nfs/dbraw/zinc/05/43/89/1080054389.db2.gz FXKGEFMFMLQDIS-XIKOKIGWSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588491302 1080054399 /nfs/dbraw/zinc/05/43/99/1080054399.db2.gz FXKGEFMFMLQDIS-XIKOKIGWSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588494242 1080057495 /nfs/dbraw/zinc/05/74/95/1080057495.db2.gz QBZFUAMBEKRQOY-XIKOKIGWSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588494242 1080057502 /nfs/dbraw/zinc/05/75/02/1080057502.db2.gz QBZFUAMBEKRQOY-XIKOKIGWSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@](C)(O)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588498532 1080059565 /nfs/dbraw/zinc/05/95/65/1080059565.db2.gz BEHZNXMAQXWNED-RBZFPXEDSA-N -1 3 363.421 2.648 20 30 FFEDHM C=C[C@](C)(O)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588498532 1080059572 /nfs/dbraw/zinc/05/95/72/1080059572.db2.gz BEHZNXMAQXWNED-RBZFPXEDSA-N -1 3 363.421 2.648 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588521452 1080073169 /nfs/dbraw/zinc/07/31/69/1080073169.db2.gz NMFIJTHAMHJORH-STQMWFEESA-N -1 3 360.437 2.772 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588521452 1080073178 /nfs/dbraw/zinc/07/31/78/1080073178.db2.gz NMFIJTHAMHJORH-STQMWFEESA-N -1 3 360.437 2.772 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588532567 1080081288 /nfs/dbraw/zinc/08/12/88/1080081288.db2.gz ZSEFCJMXAPHMSN-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588532567 1080081294 /nfs/dbraw/zinc/08/12/94/1080081294.db2.gz ZSEFCJMXAPHMSN-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588532842 1080082063 /nfs/dbraw/zinc/08/20/63/1080082063.db2.gz HNAYTUNKBIQLHP-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588532842 1080082069 /nfs/dbraw/zinc/08/20/69/1080082069.db2.gz HNAYTUNKBIQLHP-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588531869 1080082314 /nfs/dbraw/zinc/08/23/14/1080082314.db2.gz LEKQPQYAKKKTAU-CYBMUJFWSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588531869 1080082319 /nfs/dbraw/zinc/08/23/19/1080082319.db2.gz LEKQPQYAKKKTAU-CYBMUJFWSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588533413 1080084274 /nfs/dbraw/zinc/08/42/74/1080084274.db2.gz XKIHZDBLVFPXJY-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588533413 1080084285 /nfs/dbraw/zinc/08/42/85/1080084285.db2.gz XKIHZDBLVFPXJY-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=CC[C@H](CC)NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588541984 1080087642 /nfs/dbraw/zinc/08/76/42/1080087642.db2.gz VLGBDYKZKLIDRG-HNNXBMFYSA-N -1 3 366.429 2.588 20 30 FFEDHM C=CC[C@H](CC)NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588541984 1080087654 /nfs/dbraw/zinc/08/76/54/1080087654.db2.gz VLGBDYKZKLIDRG-HNNXBMFYSA-N -1 3 366.429 2.588 20 30 FFEDHM C=CC[C@@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccncc1 ZINC001588549721 1080090302 /nfs/dbraw/zinc/09/03/02/1080090302.db2.gz VMJKMSMSVVGTOA-QGZVFWFLSA-N -1 3 361.409 2.604 20 30 FFEDHM C=CC[C@@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccncc1 ZINC001588549721 1080090304 /nfs/dbraw/zinc/09/03/04/1080090304.db2.gz VMJKMSMSVVGTOA-QGZVFWFLSA-N -1 3 361.409 2.604 20 30 FFEDHM C=CC[C@H]1N(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCC1(C)C ZINC001588563988 1080099914 /nfs/dbraw/zinc/09/99/14/1080099914.db2.gz HJYSPJZFENJFNY-OAHLLOKOSA-N -1 3 361.471 2.622 20 30 FFEDHM C=CC[C@H]1N(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCC1(C)C ZINC001588563988 1080099919 /nfs/dbraw/zinc/09/99/19/1080099919.db2.gz HJYSPJZFENJFNY-OAHLLOKOSA-N -1 3 361.471 2.622 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001588566954 1080101131 /nfs/dbraw/zinc/10/11/31/1080101131.db2.gz PCCRHRDAGBFTBC-DOMZBBRYSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001588566954 1080101138 /nfs/dbraw/zinc/10/11/38/1080101138.db2.gz PCCRHRDAGBFTBC-DOMZBBRYSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588588150 1080111162 /nfs/dbraw/zinc/11/11/62/1080111162.db2.gz FDAROQLOCKZSPY-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588588150 1080111165 /nfs/dbraw/zinc/11/11/65/1080111165.db2.gz FDAROQLOCKZSPY-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588593934 1080115486 /nfs/dbraw/zinc/11/54/86/1080115486.db2.gz JCFXCTFHIQVXRA-HNNXBMFYSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588593934 1080115488 /nfs/dbraw/zinc/11/54/88/1080115488.db2.gz JCFXCTFHIQVXRA-HNNXBMFYSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCCSCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588617988 1080123872 /nfs/dbraw/zinc/12/38/72/1080123872.db2.gz LUASGTXLVQJXLN-UHFFFAOYSA-N -1 3 362.459 2.696 20 30 FFEDHM C=CCCSCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588617988 1080123875 /nfs/dbraw/zinc/12/38/75/1080123875.db2.gz LUASGTXLVQJXLN-UHFFFAOYSA-N -1 3 362.459 2.696 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1c(C)noc1C ZINC001588638512 1080132317 /nfs/dbraw/zinc/13/23/17/1080132317.db2.gz DUMYNDPHEFHQFY-GFCCVEGCSA-N -1 3 366.425 2.790 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1c(C)noc1C ZINC001588638512 1080132320 /nfs/dbraw/zinc/13/23/20/1080132320.db2.gz DUMYNDPHEFHQFY-GFCCVEGCSA-N -1 3 366.425 2.790 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COCC1CCCC1 ZINC001588639976 1080133178 /nfs/dbraw/zinc/13/31/78/1080133178.db2.gz HPUBJNVXCPZHCQ-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COCC1CCCC1 ZINC001588639976 1080133187 /nfs/dbraw/zinc/13/31/87/1080133187.db2.gz HPUBJNVXCPZHCQ-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM C=CCN(Cc1c(Cl)c(C)nn1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588649038 1080140158 /nfs/dbraw/zinc/14/01/58/1080140158.db2.gz UPNPXTPRQIERGP-UHFFFAOYSA-N -1 3 357.849 2.750 20 30 FFEDHM C=CCN(Cc1c(Cl)c(C)nn1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588649038 1080140163 /nfs/dbraw/zinc/14/01/63/1080140163.db2.gz UPNPXTPRQIERGP-UHFFFAOYSA-N -1 3 357.849 2.750 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588653629 1080143755 /nfs/dbraw/zinc/14/37/55/1080143755.db2.gz QRRTYLSWWGVQTR-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588653629 1080143758 /nfs/dbraw/zinc/14/37/58/1080143758.db2.gz QRRTYLSWWGVQTR-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(F)(F)CC1 ZINC001588700824 1080160811 /nfs/dbraw/zinc/16/08/11/1080160811.db2.gz YOXDQAJKBFOJGZ-UHFFFAOYSA-N -1 3 372.383 2.547 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(F)(F)CC1 ZINC001588700824 1080160817 /nfs/dbraw/zinc/16/08/17/1080160817.db2.gz YOXDQAJKBFOJGZ-UHFFFAOYSA-N -1 3 372.383 2.547 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1ccccc1-c1nnn[n-]1 ZINC001588776624 1080190519 /nfs/dbraw/zinc/19/05/19/1080190519.db2.gz YEUYZAZMFYAFFC-IAQYHMDHSA-N -1 3 357.487 2.634 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1ccccc1-c1nn[n-]n1 ZINC001588776624 1080190523 /nfs/dbraw/zinc/19/05/23/1080190523.db2.gz YEUYZAZMFYAFFC-IAQYHMDHSA-N -1 3 357.487 2.634 20 30 FFEDHM CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)c1ccccc1-c1nnn[n-]1 ZINC001588776623 1080191026 /nfs/dbraw/zinc/19/10/26/1080191026.db2.gz YEUYZAZMFYAFFC-ABAIWWIYSA-N -1 3 357.487 2.634 20 30 FFEDHM CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)c1ccccc1-c1nn[n-]n1 ZINC001588776623 1080191030 /nfs/dbraw/zinc/19/10/30/1080191030.db2.gz YEUYZAZMFYAFFC-ABAIWWIYSA-N -1 3 357.487 2.634 20 30 FFEDHM C[C@@H](C#N)OCCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588934712 1080271759 /nfs/dbraw/zinc/27/17/59/1080271759.db2.gz RNFBFAQKCQOCTP-AWEZNQCLSA-N -1 3 364.409 2.786 20 30 FFEDHM C[C@@H](C#N)OCCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588934712 1080271767 /nfs/dbraw/zinc/27/17/67/1080271767.db2.gz RNFBFAQKCQOCTP-AWEZNQCLSA-N -1 3 364.409 2.786 20 30 FFEDHM CC(C)(C(=O)N1CCc2cc(C#N)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001589041767 1080319878 /nfs/dbraw/zinc/31/98/78/1080319878.db2.gz DNVTWRFGKRQUMU-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)(C(=O)N1CCc2cc(C#N)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001589041767 1080319882 /nfs/dbraw/zinc/31/98/82/1080319882.db2.gz DNVTWRFGKRQUMU-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)(C)CCCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589123297 1080374215 /nfs/dbraw/zinc/37/42/15/1080374215.db2.gz NVNQCOJLYJFJBV-INIZCTEOSA-N -1 3 354.458 2.882 20 30 FFEDHM CC(C)(CCC#N)CNc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001589272877 1080457903 /nfs/dbraw/zinc/45/79/03/1080457903.db2.gz RFGNYBFFIVKQIE-UHFFFAOYSA-N -1 3 350.224 2.766 20 30 FFEDHM CC(C)(CCC#N)CNc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001589272877 1080457905 /nfs/dbraw/zinc/45/79/05/1080457905.db2.gz RFGNYBFFIVKQIE-UHFFFAOYSA-N -1 3 350.224 2.766 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(C#N)cc1F ZINC001589895192 1080841862 /nfs/dbraw/zinc/84/18/62/1080841862.db2.gz PVGVJGKQKHAWHQ-NSHDSACASA-N -1 3 351.341 2.662 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1F ZINC001589895192 1080841867 /nfs/dbraw/zinc/84/18/67/1080841867.db2.gz PVGVJGKQKHAWHQ-NSHDSACASA-N -1 3 351.341 2.662 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589937543 1080881348 /nfs/dbraw/zinc/88/13/48/1080881348.db2.gz TWBSSTRFKIJRAD-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589937543 1080881351 /nfs/dbraw/zinc/88/13/51/1080881351.db2.gz TWBSSTRFKIJRAD-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001590020666 1080946998 /nfs/dbraw/zinc/94/69/98/1080946998.db2.gz OFEWQNJRUROCFW-NSHDSACASA-N -1 3 373.800 2.705 20 30 FFEDHM C[C@@H](ON=CC(=O)Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590021494 1080947475 /nfs/dbraw/zinc/94/74/75/1080947475.db2.gz WYLHHLJKJNLRIL-LLVKDONJSA-N -1 3 354.345 2.708 20 30 FFEDHM C[C@@H](ON=CC(=O)Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590021494 1080947479 /nfs/dbraw/zinc/94/74/79/1080947479.db2.gz WYLHHLJKJNLRIL-LLVKDONJSA-N -1 3 354.345 2.708 20 30 FFEDHM CC1(C#N)CN(Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)C1 ZINC001590057037 1080983664 /nfs/dbraw/zinc/98/36/64/1080983664.db2.gz XIYBCOVFRVPPFM-UHFFFAOYSA-N -1 3 360.421 2.791 20 30 FFEDHM CC1(C#N)CN(Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)C1 ZINC001590057037 1080983669 /nfs/dbraw/zinc/98/36/69/1080983669.db2.gz XIYBCOVFRVPPFM-UHFFFAOYSA-N -1 3 360.421 2.791 20 30 FFEDHM Cc1cc(C#N)nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000286223607 257026494 /nfs/dbraw/zinc/02/64/94/257026494.db2.gz HCMLSORMKGIJGM-UHFFFAOYSA-N -1 3 371.828 2.871 20 30 FFEDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000286508255 257040488 /nfs/dbraw/zinc/04/04/88/257040488.db2.gz DWUVBGQMWVVMPJ-HNNXBMFYSA-N -1 3 362.407 2.513 20 30 FFEDHM C[C@@]1(C[C@H]2CCCN2c2ccc(C(F)(F)F)cc2C#N)NC(=O)[N-]C1=O ZINC000286384102 257034483 /nfs/dbraw/zinc/03/44/83/257034483.db2.gz NHLCULHFRSVAFR-WBMJQRKESA-N -1 3 366.343 2.534 20 30 FFEDHM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1nc(Cl)c(C#N)s1 ZINC000288179921 257157227 /nfs/dbraw/zinc/15/72/27/257157227.db2.gz BKZGRCMIDNHUJP-SECBINFHSA-N -1 3 371.875 2.585 20 30 FFEDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000290891434 257363044 /nfs/dbraw/zinc/36/30/44/257363044.db2.gz CXUDGRUIPHNWGZ-UHFFFAOYSA-N -1 3 356.451 2.658 20 30 FFEDHM N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000301118532 258026641 /nfs/dbraw/zinc/02/66/41/258026641.db2.gz PQMMEIUPYTUARV-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000331237099 258180404 /nfs/dbraw/zinc/18/04/04/258180404.db2.gz HQVLBKCSRVFUJV-FQEVSTJZSA-N -1 3 359.470 2.656 20 30 FFEDHM N#CCCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000377173530 512151570 /nfs/dbraw/zinc/15/15/70/512151570.db2.gz MSOBNTOYERYIGI-UHFFFAOYSA-N -1 3 354.819 2.503 20 30 FFEDHM N#CC(=C([O-])c1ccc(OCC(N)=O)cc1)c1nc2ccccc2s1 ZINC000041501889 506525350 /nfs/dbraw/zinc/52/53/50/506525350.db2.gz NLJYSUDWABUXFA-ZDUSSCGKSA-N -1 3 351.387 2.650 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)CNC(=O)c2ccc(F)cc2)n[n-]1 ZINC000043041941 506690213 /nfs/dbraw/zinc/69/02/13/506690213.db2.gz LWRLJWPWBIUSGB-UHFFFAOYSA-N -1 3 369.356 2.637 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccccc1Cl ZINC000067084168 506752095 /nfs/dbraw/zinc/75/20/95/506752095.db2.gz ZPEAAATVQITGRP-UHFFFAOYSA-N -1 3 357.841 2.808 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000045097321 506917914 /nfs/dbraw/zinc/91/79/14/506917914.db2.gz PHMMAKMYIYIFHO-UHFFFAOYSA-N -1 3 361.405 2.825 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000056078130 506927895 /nfs/dbraw/zinc/92/78/95/506927895.db2.gz GZIFBTRBDZJGPV-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM CCOC(=O)c1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000060952268 507587222 /nfs/dbraw/zinc/58/72/22/507587222.db2.gz IHBUZJYRPKLERO-UHFFFAOYSA-N -1 3 368.389 2.578 20 30 FFEDHM C=CCOc1ccccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000029691143 507786544 /nfs/dbraw/zinc/78/65/44/507786544.db2.gz ZHJMGJYJNDDOHA-UHFFFAOYSA-N -1 3 366.417 2.555 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccc(F)cc2)no1 ZINC000072588090 507828277 /nfs/dbraw/zinc/82/82/77/507828277.db2.gz QKKLHYHGYWVIBQ-UHFFFAOYSA-N -1 3 352.369 2.762 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078658099 507894084 /nfs/dbraw/zinc/89/40/84/507894084.db2.gz GHJALJQVTTVSJO-INIZCTEOSA-N -1 3 356.466 2.876 20 30 FFEDHM Cc1nc(C)c(CCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000108821208 507920124 /nfs/dbraw/zinc/92/01/24/507920124.db2.gz NHQHTTKEBOVTDO-SFHVURJKSA-N -1 3 366.465 2.998 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCOc1ccc(F)cc1 ZINC000109407142 507960805 /nfs/dbraw/zinc/96/08/05/507960805.db2.gz KQMRYJVDBZBSCE-UHFFFAOYSA-N -1 3 371.412 2.520 20 30 FFEDHM C=C[C@H](CC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000091753130 508008222 /nfs/dbraw/zinc/00/82/22/508008222.db2.gz KBBWEKFUSDWJAC-QAPCUYQASA-N -1 3 363.417 2.736 20 30 FFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000080306112 508064417 /nfs/dbraw/zinc/06/44/17/508064417.db2.gz QTSQRXZHVIDOHX-ZETCQYMHSA-N -1 3 359.333 2.778 20 30 FFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000080306112 508064419 /nfs/dbraw/zinc/06/44/19/508064419.db2.gz QTSQRXZHVIDOHX-ZETCQYMHSA-N -1 3 359.333 2.778 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)cc1 ZINC000093867885 508157866 /nfs/dbraw/zinc/15/78/66/508157866.db2.gz BGJSLWTVPFKMKV-UHFFFAOYSA-N -1 3 359.451 2.608 20 30 FFEDHM Cc1ccc2c(c1)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C[C@H](C)O2 ZINC000081389446 508170540 /nfs/dbraw/zinc/17/05/40/508170540.db2.gz ORYDTELTVAEZAP-ZDUSSCGKSA-N -1 3 365.433 2.919 20 30 FFEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000102115926 508268326 /nfs/dbraw/zinc/26/83/26/508268326.db2.gz KDWCHADUKAUUPY-AWEZNQCLSA-N -1 3 350.378 2.863 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]CCOc2ccc(C#N)cc2)c(F)cc1F ZINC000084675014 508289805 /nfs/dbraw/zinc/28/98/05/508289805.db2.gz UCVVYLZZWZLSDU-UHFFFAOYSA-N -1 3 352.362 2.502 20 30 FFEDHM O=C(c1ccc([O-])cc1)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000085785631 508316432 /nfs/dbraw/zinc/31/64/32/508316432.db2.gz AKTPROPSBUKNLA-UHFFFAOYSA-N -1 3 354.837 2.855 20 30 FFEDHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000152312747 508421621 /nfs/dbraw/zinc/42/16/21/508421621.db2.gz VWUXTJOXERNSQL-JTQLQIEISA-N -1 3 352.412 2.699 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(OCCN(C)C)c1 ZINC000127396483 508444235 /nfs/dbraw/zinc/44/42/35/508444235.db2.gz FTQVNOWKWXYGEG-UHFFFAOYSA-N -1 3 373.478 2.916 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC000156698214 508464173 /nfs/dbraw/zinc/46/41/73/508464173.db2.gz RUXAPJKUENOXJR-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157166826 508532249 /nfs/dbraw/zinc/53/22/49/508532249.db2.gz LBEIWTJCEDHMTK-CQSZACIVSA-N -1 3 359.407 2.766 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(Br)cc1 ZINC000157329326 508553681 /nfs/dbraw/zinc/55/36/81/508553681.db2.gz YMTMNYYRXMWRSE-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)cc1C ZINC000128967809 508665448 /nfs/dbraw/zinc/66/54/48/508665448.db2.gz TUFSCQFUJNOQBA-CQSZACIVSA-N -1 3 351.428 2.962 20 30 FFEDHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000154550398 508807062 /nfs/dbraw/zinc/80/70/62/508807062.db2.gz VMJYUEXJFXPLNK-CQSZACIVSA-N -1 3 357.435 2.584 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c(F)c1 ZINC000151040165 508945100 /nfs/dbraw/zinc/94/51/00/508945100.db2.gz KGDCBVJMWRPILE-UHFFFAOYSA-N -1 3 356.325 2.777 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)c(F)c2)c(F)c1 ZINC000151103454 508957346 /nfs/dbraw/zinc/95/73/46/508957346.db2.gz OIZIWMSCPWHZGW-UHFFFAOYSA-N -1 3 374.372 2.501 20 30 FFEDHM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2ccccn2)CC1 ZINC000131971213 508986373 /nfs/dbraw/zinc/98/63/73/508986373.db2.gz NNNVEIHYWYRKHY-UHFFFAOYSA-N -1 3 357.435 2.622 20 30 FFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccnc1 ZINC000125924003 509045006 /nfs/dbraw/zinc/04/50/06/509045006.db2.gz KDXTUGUREKYQJN-OAHLLOKOSA-N -1 3 374.422 2.580 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c(F)c1 ZINC000151592480 509049183 /nfs/dbraw/zinc/04/91/83/509049183.db2.gz XYRAMTCBJYWNDV-UHFFFAOYSA-N -1 3 360.410 2.965 20 30 FFEDHM Cc1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000156303549 509156978 /nfs/dbraw/zinc/15/69/78/509156978.db2.gz AWBCUIQMVXTDON-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000176138565 509342123 /nfs/dbraw/zinc/34/21/23/509342123.db2.gz GAOHCLVMJHCPJV-FUHWJXTLSA-N -1 3 369.465 2.546 20 30 FFEDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000189149108 509436447 /nfs/dbraw/zinc/43/64/47/509436447.db2.gz OOZJRDQXNXBERP-SNVBAGLBSA-N -1 3 351.815 2.655 20 30 FFEDHM Cn1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c2ccccc21 ZINC000186192891 509570647 /nfs/dbraw/zinc/57/06/47/509570647.db2.gz IZXJRWKMRLUMDR-UHFFFAOYSA-N -1 3 374.853 2.619 20 30 FFEDHM N#Cc1cc(F)ccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000264693674 509652557 /nfs/dbraw/zinc/65/25/57/509652557.db2.gz ZUVLZBRIZIQXEU-UHFFFAOYSA-N -1 3 365.455 2.706 20 30 FFEDHM Cc1nc([C@H]([N-]S(=O)(=O)CCCCC#N)c2ccc(Cl)cc2)no1 ZINC000179990545 509701174 /nfs/dbraw/zinc/70/11/74/509701174.db2.gz XISZQYZOWVSVES-CQSZACIVSA-N -1 3 368.846 2.734 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000186425733 509702554 /nfs/dbraw/zinc/70/25/54/509702554.db2.gz QYDYUJFEAUSTMB-QMMMGPOBSA-N -1 3 365.224 2.567 20 30 FFEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CC#N)cc1Cl ZINC000176855156 509728520 /nfs/dbraw/zinc/72/85/20/509728520.db2.gz IVRJALPRVHOLHZ-SSDOTTSWSA-N -1 3 367.652 2.692 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000183508670 509834226 /nfs/dbraw/zinc/83/42/26/509834226.db2.gz ANTGZOSSVGCHHX-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186808740 509904761 /nfs/dbraw/zinc/90/47/61/509904761.db2.gz UMFREAIVBUSQQX-TZMCWYRMSA-N -1 3 372.874 2.868 20 30 FFEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000186901947 509940343 /nfs/dbraw/zinc/94/03/43/509940343.db2.gz YDSGGDCSJIBFBJ-CYBMUJFWSA-N -1 3 372.874 2.727 20 30 FFEDHM Cc1ccc(C(=O)N2CCC(/N=C/c3ccc(O)c([O-])c3O)CC2)cc1 ZINC000171157083 509975673 /nfs/dbraw/zinc/97/56/73/509975673.db2.gz CCZMJZCEJJOWEA-CIAFOILYSA-N -1 3 354.406 2.836 20 30 FFEDHM CC[C@H](CC#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000183843646 510003336 /nfs/dbraw/zinc/00/33/36/510003336.db2.gz PPMVDOGDZNPNRK-GFCCVEGCSA-N -1 3 371.890 2.839 20 30 FFEDHM C[C@H](C#N)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184086273 510125012 /nfs/dbraw/zinc/12/50/12/510125012.db2.gz ILPRQMOVDBXLCV-KDOFPFPSSA-N -1 3 351.406 2.529 20 30 FFEDHM CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCC2 ZINC000174552447 510173546 /nfs/dbraw/zinc/17/35/46/510173546.db2.gz PBOUXAFZZHPIAV-ZWKOTPCHSA-N -1 3 371.481 2.650 20 30 FFEDHM COCCn1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000190662915 510269857 /nfs/dbraw/zinc/26/98/57/510269857.db2.gz DQVYORBJSCWPBD-NSHDSACASA-N -1 3 359.336 2.764 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c1 ZINC000184881826 510562213 /nfs/dbraw/zinc/56/22/13/510562213.db2.gz ZKZQMWADWKZJGB-OAHLLOKOSA-N -1 3 356.875 2.821 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)OCC ZINC000270043103 510649740 /nfs/dbraw/zinc/64/97/40/510649740.db2.gz AIXVPBDZHWKZBH-OAHLLOKOSA-N -1 3 370.446 2.576 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246902853 510736779 /nfs/dbraw/zinc/73/67/79/510736779.db2.gz RMMQCBXZUAWZGT-HFBAOOFYSA-N -1 3 366.870 2.838 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(Cl)c1 ZINC000282531909 511015282 /nfs/dbraw/zinc/01/52/82/511015282.db2.gz MKUWPHZITBADFE-UHFFFAOYSA-N -1 3 370.858 2.735 20 30 FFEDHM CCOc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000298416311 511278223 /nfs/dbraw/zinc/27/82/23/511278223.db2.gz YDOYGOHHMXQSBV-UHFFFAOYSA-N -1 3 353.422 2.923 20 30 FFEDHM COC(=O)c1sc2[n-]c(CN3CCC(C)(C#N)CC3)nc(=O)c2c1C ZINC000272570800 511500049 /nfs/dbraw/zinc/50/00/49/511500049.db2.gz MXWSGPVMTJMABL-UHFFFAOYSA-N -1 3 360.439 2.618 20 30 FFEDHM CCN(CCC#N)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000272642719 511502485 /nfs/dbraw/zinc/50/24/85/511502485.db2.gz YGBYHBLTKBXPQX-AATRIKPKSA-N -1 3 353.216 2.939 20 30 FFEDHM CC1([N-]C(=S)C(C(=O)c2ccc3c(c2)COC3)[n+]2cccc([O-])c2)CC1 ZINC000283961749 511557571 /nfs/dbraw/zinc/55/75/71/511557571.db2.gz GCTJENQUGQTBLE-UHFFFAOYSA-O -1 3 369.466 2.791 20 30 FFEDHM CC[C@@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1cccc([O-])c1 ZINC000299639924 511665252 /nfs/dbraw/zinc/66/52/52/511665252.db2.gz UEKZYYGKUVDMCL-GFCCVEGCSA-O -1 3 373.454 2.735 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H](C)C(=O)OC(C)(C)C)no1 ZINC000280956639 511666736 /nfs/dbraw/zinc/66/67/36/511666736.db2.gz UNFPACWGOYDNNN-LLVKDONJSA-N -1 3 372.425 2.889 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000349839088 511671776 /nfs/dbraw/zinc/67/17/76/511671776.db2.gz WXTRSKKJCYHWDQ-UHFFFAOYSA-N -1 3 364.361 2.840 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1Cl ZINC000318797864 511806906 /nfs/dbraw/zinc/80/69/06/511806906.db2.gz GXJJPBQOZJLYFL-UHFFFAOYSA-N -1 3 356.234 2.781 20 30 FFEDHM N#C[C@@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CCC[C@@]12CCCCO2 ZINC000366179286 511884044 /nfs/dbraw/zinc/88/40/44/511884044.db2.gz CVKURZONLWMAGU-ICSRJNTNSA-N -1 3 351.406 2.596 20 30 FFEDHM O=C(Nc1scnc1C1CC1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000328940237 511953800 /nfs/dbraw/zinc/95/38/00/511953800.db2.gz SHZSICMSLBUHMF-UHFFFAOYSA-N -1 3 372.450 2.730 20 30 FFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)o1 ZINC000297058590 512003244 /nfs/dbraw/zinc/00/32/44/512003244.db2.gz MIOIMQNHANZSDA-UHFFFAOYSA-N -1 3 351.403 2.566 20 30 FFEDHM CO[C@]1(C)C[C@H](NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)C1(C)C ZINC000329259985 512016408 /nfs/dbraw/zinc/01/64/08/512016408.db2.gz CQYXDNIZPAOYDT-FVEFGIFQSA-N -1 3 366.462 2.601 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000378176147 512625791 /nfs/dbraw/zinc/62/57/91/512625791.db2.gz SMUWGOVVCQGTHO-UHFFFAOYSA-N -1 3 362.393 2.632 20 30 FFEDHM N#Cc1cccc([C@H]2CN(C(=O)c3c[n-]c4ccccc4c3=O)CCO2)c1 ZINC000372366686 512836648 /nfs/dbraw/zinc/83/66/48/512836648.db2.gz OEJWJXHBTFGLRT-LJQANCHMSA-N -1 3 359.385 2.613 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000434114655 513242387 /nfs/dbraw/zinc/24/23/87/513242387.db2.gz NNHFXTHTPXNPPN-LLVKDONJSA-N -1 3 357.439 2.752 20 30 FFEDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000440378638 513305151 /nfs/dbraw/zinc/30/51/51/513305151.db2.gz AOPDPQVYQFBGFG-STQMWFEESA-N -1 3 362.373 2.669 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)nn1 ZINC000415730630 513401384 /nfs/dbraw/zinc/40/13/84/513401384.db2.gz DPXNYCOSZHRHMK-MNOVXSKESA-N -1 3 359.455 2.796 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429649975 513432543 /nfs/dbraw/zinc/43/25/43/513432543.db2.gz DDQJZWRICIYKOK-UHFFFAOYSA-N -1 3 361.352 2.535 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)(F)F ZINC000451074439 513499251 /nfs/dbraw/zinc/49/92/51/513499251.db2.gz WFMGSSBVBKJJDT-SSDOTTSWSA-N -1 3 353.188 2.643 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CN2CCCC2)c2ccccc2)s1 ZINC000435420263 513578510 /nfs/dbraw/zinc/57/85/10/513578510.db2.gz CEOCZVAMNWBPQJ-INIZCTEOSA-N -1 3 361.492 2.735 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000435429195 513583114 /nfs/dbraw/zinc/58/31/14/513583114.db2.gz WLGBCQNJLLCPRA-HIFRSBDPSA-N -1 3 370.402 2.706 20 30 FFEDHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435433368 513584574 /nfs/dbraw/zinc/58/45/74/513584574.db2.gz RUSUPGRYGCDOKU-UKRRQHHQSA-N -1 3 361.492 2.734 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000416343193 513723198 /nfs/dbraw/zinc/72/31/98/513723198.db2.gz RAEUNQGHCOEPJG-GOSISDBHSA-N -1 3 369.446 2.737 20 30 FFEDHM COc1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1[O-] ZINC000442965290 513830046 /nfs/dbraw/zinc/83/00/46/513830046.db2.gz IIHYWTLPCFGGAO-HNNXBMFYSA-N -1 3 369.396 2.810 20 30 FFEDHM COc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1OC ZINC000443014367 513842200 /nfs/dbraw/zinc/84/22/00/513842200.db2.gz ZRTQMQJLGPZBTC-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000443014459 513842864 /nfs/dbraw/zinc/84/28/64/513842864.db2.gz PRLXTWYLNXUPMF-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000443092841 513869125 /nfs/dbraw/zinc/86/91/25/513869125.db2.gz XCDZKULLJLJUIX-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cccs1 ZINC000443108518 513873854 /nfs/dbraw/zinc/87/38/54/513873854.db2.gz NCAUOUFIVUYDMG-CYBMUJFWSA-N -1 3 369.899 2.854 20 30 FFEDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OC ZINC000451671826 513901716 /nfs/dbraw/zinc/90/17/16/513901716.db2.gz GUZJGRHDELVUIO-GWCFXTLKSA-N -1 3 364.389 2.916 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000443365490 513950151 /nfs/dbraw/zinc/95/01/51/513950151.db2.gz CUYCNRSOEJKOEL-FTLABTOESA-N -1 3 360.410 2.929 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c(F)c1 ZINC000443482450 513978356 /nfs/dbraw/zinc/97/83/56/513978356.db2.gz IKABSYMUXLUHIW-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000451818631 514001796 /nfs/dbraw/zinc/00/17/96/514001796.db2.gz QFPVPXTXJAWNJA-DZGCQCFKSA-N -1 3 356.875 2.941 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(F)cc1F ZINC000427119717 514122125 /nfs/dbraw/zinc/12/21/25/514122125.db2.gz MAGREJVNXQOTSC-UHFFFAOYSA-N -1 3 370.308 2.563 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1C ZINC000414466262 514134575 /nfs/dbraw/zinc/13/45/75/514134575.db2.gz ZSWSVWKUARMLBA-UHFFFAOYSA-N -1 3 359.451 2.738 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC000432270660 514143435 /nfs/dbraw/zinc/14/34/35/514143435.db2.gz NMKBODAHTGCJOW-HNNXBMFYSA-N -1 3 369.368 2.968 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000452025265 514143946 /nfs/dbraw/zinc/14/39/46/514143946.db2.gz QWTDDCZRURNBDF-VIFPVBQESA-N -1 3 354.255 2.607 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000452025067 514144366 /nfs/dbraw/zinc/14/43/66/514144366.db2.gz ZIHAHMVRUBATDY-NSHDSACASA-N -1 3 362.373 2.672 20 30 FFEDHM N#CCCCCNC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444172859 514144572 /nfs/dbraw/zinc/14/45/72/514144572.db2.gz BIJQJLJUCBYHSX-UHFFFAOYSA-N -1 3 353.300 2.850 20 30 FFEDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Cl)c1 ZINC000427208555 514149892 /nfs/dbraw/zinc/14/98/92/514149892.db2.gz GJJYOBSEJGXTQH-UHFFFAOYSA-N -1 3 364.814 2.674 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1 ZINC000428261404 514436123 /nfs/dbraw/zinc/43/61/23/514436123.db2.gz NOXZKYQLMMCRLC-UHFFFAOYSA-N -1 3 356.432 2.555 20 30 FFEDHM Cc1cc(Br)ccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428264771 514436470 /nfs/dbraw/zinc/43/64/70/514436470.db2.gz MEDNQGKGXQAKLG-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccnc2C#N)C[C@H]1OCc1ccccc1 ZINC000428398882 514466635 /nfs/dbraw/zinc/46/66/35/514466635.db2.gz AEYJZFGIPLZOIF-QZTJIDSGSA-N -1 3 371.462 2.615 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)cc1F ZINC000428417749 514471183 /nfs/dbraw/zinc/47/11/83/514471183.db2.gz JMSZPIJDRQQAIS-INIZCTEOSA-N -1 3 351.378 2.907 20 30 FFEDHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000445741984 514513406 /nfs/dbraw/zinc/51/34/06/514513406.db2.gz RWUXGVFTXXKKLL-INIZCTEOSA-N -1 3 356.875 2.821 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000470818205 514625757 /nfs/dbraw/zinc/62/57/57/514625757.db2.gz VQNHGOWCJNKZJS-MJBXVCDLSA-N -1 3 352.504 2.981 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCCCCCn1nnc(-c2ccccc2)n1 ZINC000470821878 514627188 /nfs/dbraw/zinc/62/71/88/514627188.db2.gz OMLRPGYKKDTBAR-UHFFFAOYSA-N -1 3 371.470 2.786 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c1 ZINC000475791235 514809640 /nfs/dbraw/zinc/80/96/40/514809640.db2.gz OYOPXUPRQOOALC-OAHLLOKOSA-N -1 3 350.827 2.614 20 30 FFEDHM Cc1[nH]nc([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1C#N ZINC000508768600 514888225 /nfs/dbraw/zinc/88/82/25/514888225.db2.gz JCBPYTAXFTUNNC-UHFFFAOYSA-N -1 3 372.431 2.736 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cc1C#N ZINC000489627037 514921115 /nfs/dbraw/zinc/92/11/15/514921115.db2.gz WSJYZCCXIRCIPL-HNNXBMFYSA-N -1 3 369.368 2.886 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1CCN(c2ccccc2)CC1 ZINC000480411145 514946382 /nfs/dbraw/zinc/94/63/82/514946382.db2.gz DPZPHIYUBXIAMO-UHFFFAOYSA-N -1 3 373.453 2.892 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503320899 515000280 /nfs/dbraw/zinc/00/02/80/515000280.db2.gz XAJTYBQVBALYGW-UHFFFAOYSA-N -1 3 351.472 2.662 20 30 FFEDHM N#C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@]12C(=O)Nc1ccccc12 ZINC000509097326 515022101 /nfs/dbraw/zinc/02/21/01/515022101.db2.gz QTGPBZULNNODOW-WLRWDXFRSA-N -1 3 355.344 2.516 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1ccccc1C#N)c1cc(C(F)(F)F)on1 ZINC000490478140 515227855 /nfs/dbraw/zinc/22/78/55/515227855.db2.gz SKYPADDKKAQBFW-UHFFFAOYSA-N -1 3 359.329 2.779 20 30 FFEDHM CCCOc1ccc(C(C)(C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000481479936 515341843 /nfs/dbraw/zinc/34/18/43/515341843.db2.gz KNXIZZIUABVALA-UHFFFAOYSA-N -1 3 359.451 2.956 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000463472986 515514830 /nfs/dbraw/zinc/51/48/30/515514830.db2.gz UQGTUWGXKGUIFH-NSHDSACASA-N -1 3 352.437 2.514 20 30 FFEDHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccco1 ZINC000510396873 515527207 /nfs/dbraw/zinc/52/72/07/515527207.db2.gz UQLFIJGZHPUXIJ-DGCLKSJQSA-N -1 3 353.469 2.620 20 30 FFEDHM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)cc2CC1=O ZINC000486540604 515529243 /nfs/dbraw/zinc/52/92/43/515529243.db2.gz NXLYSYQEGOXVIS-UHFFFAOYSA-N -1 3 361.810 2.531 20 30 FFEDHM CC(C)(CCC#N)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482116166 515579644 /nfs/dbraw/zinc/57/96/44/515579644.db2.gz XMTQKCYKXBEQFS-UHFFFAOYSA-N -1 3 364.247 2.970 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1C#N ZINC000505608142 515606522 /nfs/dbraw/zinc/60/65/22/515606522.db2.gz JLCBEOHTWGKRGW-BLLLJJGKSA-N -1 3 370.478 2.802 20 30 FFEDHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000510734089 515651294 /nfs/dbraw/zinc/65/12/94/515651294.db2.gz UBWBEQXOZZHPQS-JFIYKMOQSA-N -1 3 371.462 2.583 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)CSc3ccc(C#N)cc3)[n-]c21 ZINC000494102789 515733674 /nfs/dbraw/zinc/73/36/74/515733674.db2.gz AGWPYXHUBJPTHE-UHFFFAOYSA-N -1 3 366.402 2.952 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)CSc3ccc(C#N)cc3)nc21 ZINC000494102789 515733682 /nfs/dbraw/zinc/73/36/82/515733682.db2.gz AGWPYXHUBJPTHE-UHFFFAOYSA-N -1 3 366.402 2.952 20 30 FFEDHM N#Cc1ccc(CN2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000506283077 515837723 /nfs/dbraw/zinc/83/77/23/515837723.db2.gz YCSQJGUSBAEYRR-UHFFFAOYSA-N -1 3 366.421 2.880 20 30 FFEDHM C=CCC1(CNC(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)CCCC1 ZINC000455409709 516185963 /nfs/dbraw/zinc/18/59/63/516185963.db2.gz YYQHMFKRCNUVSC-UHFFFAOYSA-N -1 3 369.462 2.992 20 30 FFEDHM Cc1noc([C@@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000557768671 516428914 /nfs/dbraw/zinc/42/89/14/516428914.db2.gz RSEOXRFDYCQTEZ-INIZCTEOSA-N -1 3 369.425 2.654 20 30 FFEDHM Cc1ccc2[n-]cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)c(=O)c2c1 ZINC000561248458 516476719 /nfs/dbraw/zinc/47/67/19/516476719.db2.gz NMPPOIBGNAHRIJ-UHFFFAOYSA-N -1 3 370.372 2.541 20 30 FFEDHM Cc1ccc2ncc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)c([O-])c2c1 ZINC000561248458 516476726 /nfs/dbraw/zinc/47/67/26/516476726.db2.gz NMPPOIBGNAHRIJ-UHFFFAOYSA-N -1 3 370.372 2.541 20 30 FFEDHM COC[C@@](C)(NCc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000551423449 516703990 /nfs/dbraw/zinc/70/39/90/516703990.db2.gz UHDGGBZNUCJCLM-HXUWFJFHSA-N -1 3 354.406 2.717 20 30 FFEDHM Cc1nnc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2)o1 ZINC000544549256 516809009 /nfs/dbraw/zinc/80/90/09/516809009.db2.gz QRPWVSLAEQJERF-OAHLLOKOSA-N -1 3 362.393 2.853 20 30 FFEDHM C=C(C)[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(F)c(F)c1 ZINC000548189006 516814392 /nfs/dbraw/zinc/81/43/92/516814392.db2.gz BZEPZCKGAHRNBN-SFHVURJKSA-N -1 3 360.360 2.834 20 30 FFEDHM CCOC(=O)c1ccc(C#N)c(SCC(=O)Nc2ccccc2[O-])n1 ZINC000514113583 516867630 /nfs/dbraw/zinc/86/76/30/516867630.db2.gz VWPMGGMGQTZTLX-UHFFFAOYSA-N -1 3 357.391 2.566 20 30 FFEDHM C=CCCCCCN(C)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000525317773 517007316 /nfs/dbraw/zinc/00/73/16/517007316.db2.gz IYKFXFWLSUSAIE-FQEVSTJZSA-N -1 3 372.469 2.629 20 30 FFEDHM C[C@]1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000541386653 517022542 /nfs/dbraw/zinc/02/25/42/517022542.db2.gz GEKZYYXXPZSUDI-GJZGRUSLSA-N -1 3 374.384 2.813 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC000514789408 517056666 /nfs/dbraw/zinc/05/66/66/517056666.db2.gz AFUPLYXDHWYORB-INIZCTEOSA-N -1 3 352.456 2.902 20 30 FFEDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000514893985 517111313 /nfs/dbraw/zinc/11/13/13/517111313.db2.gz PJBIXADVDKZMRJ-OAHLLOKOSA-N -1 3 362.838 2.802 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCN1C1CC1 ZINC000562453012 517118159 /nfs/dbraw/zinc/11/81/59/517118159.db2.gz VXJHJHSFDZQMJI-ZDUSSCGKSA-N -1 3 353.875 2.507 20 30 FFEDHM N#Cc1cccnc1-n1cc([N-]S(=O)(=O)CCC2CCCCC2)cn1 ZINC000562707226 517322878 /nfs/dbraw/zinc/32/28/78/517322878.db2.gz HCKNBYLGYZZCDI-UHFFFAOYSA-N -1 3 359.455 2.851 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000562906307 517492165 /nfs/dbraw/zinc/49/21/65/517492165.db2.gz DPAAWJWSJWCQBU-UHFFFAOYSA-N -1 3 352.362 2.637 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cc(Br)cn2)cc1)c1ccncn1 ZINC000546152830 517570108 /nfs/dbraw/zinc/57/01/08/517570108.db2.gz JJJKOXAEMWJXPS-AWEZNQCLSA-N -1 3 368.194 2.915 20 30 FFEDHM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)ccn1 ZINC000538534781 517659381 /nfs/dbraw/zinc/65/93/81/517659381.db2.gz DFRBUACRQDPMKW-GFCCVEGCSA-N -1 3 363.414 2.748 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO[C@H]1C1CC1 ZINC000546636424 517767918 /nfs/dbraw/zinc/76/79/18/517767918.db2.gz UKWZNBBOVSROHC-JKSUJKDBSA-N -1 3 354.859 2.695 20 30 FFEDHM Cc1ccc(Br)cc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553544953 517772663 /nfs/dbraw/zinc/77/26/63/517772663.db2.gz NSLVRZBYAJFUKI-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)ccc1C#N ZINC000549912330 517775591 /nfs/dbraw/zinc/77/55/91/517775591.db2.gz KMCZJDRKPQJGEN-NSHDSACASA-N -1 3 361.370 2.905 20 30 FFEDHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000534530272 517930077 /nfs/dbraw/zinc/93/00/77/517930077.db2.gz AJMYDJWLYVBRSL-INIZCTEOSA-N -1 3 361.854 2.677 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000563725801 518093510 /nfs/dbraw/zinc/09/35/10/518093510.db2.gz ODOBNHMSJGJEOX-BMLIUANNSA-N -1 3 364.373 2.778 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN(c3ccccc3)C2)c(F)c1 ZINC000563846335 518147149 /nfs/dbraw/zinc/14/71/49/518147149.db2.gz WAOSQNMHLNVPBD-MRXNPFEDSA-N -1 3 373.453 2.892 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000566828442 518220080 /nfs/dbraw/zinc/22/00/80/518220080.db2.gz OGVOBOPHLDCKSF-IAQYHMDHSA-N -1 3 374.890 2.970 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1COc2ccccc21 ZINC000576142734 518449062 /nfs/dbraw/zinc/44/90/62/518449062.db2.gz VKBALFLNSXBJDF-AWEZNQCLSA-N -1 3 351.406 2.501 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccs1 ZINC000570387529 518581057 /nfs/dbraw/zinc/58/10/57/518581057.db2.gz YMIIENOFSPKTEQ-OAHLLOKOSA-N -1 3 368.455 2.797 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000564770821 518605872 /nfs/dbraw/zinc/60/58/72/518605872.db2.gz ZFESFZFAKIJAEL-GJZGRUSLSA-N -1 3 372.849 2.922 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)c(Cl)c1 ZINC000570471158 518624217 /nfs/dbraw/zinc/62/42/17/518624217.db2.gz UJJDDAJKTMRROL-UHFFFAOYSA-N -1 3 361.854 2.964 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCCO1 ZINC000588122867 518730716 /nfs/dbraw/zinc/73/07/16/518730716.db2.gz IAWHEZYHAOHTKS-GXFFZTMASA-N -1 3 373.272 2.557 20 30 FFEDHM CC(C)(C)OC(=O)c1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000588122177 518730883 /nfs/dbraw/zinc/73/08/83/518730883.db2.gz NMGVLHORCGWLHU-UHFFFAOYSA-N -1 3 362.407 2.585 20 30 FFEDHM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000571029348 518892630 /nfs/dbraw/zinc/89/26/30/518892630.db2.gz GOGPTHDWQADFST-YOEHRIQHSA-N -1 3 360.410 2.788 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000571350992 519052512 /nfs/dbraw/zinc/05/25/12/519052512.db2.gz FOCANRIBOZHASE-DIFFPNOSSA-N -1 3 366.389 2.891 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)C(=O)c1ccccc1 ZINC000565802906 519139976 /nfs/dbraw/zinc/13/99/76/519139976.db2.gz KGBIIPXRTXEVHV-UHFFFAOYSA-N -1 3 365.433 2.986 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000583481793 519270058 /nfs/dbraw/zinc/27/00/58/519270058.db2.gz HXVIPACOZHZVRE-BDAKNGLRSA-N -1 3 352.275 2.523 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)nc2ccccc12 ZINC000571945776 519357779 /nfs/dbraw/zinc/35/77/79/519357779.db2.gz GRORDSWEPXYNEW-UHFFFAOYSA-N -1 3 370.409 2.569 20 30 FFEDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000583712001 519393519 /nfs/dbraw/zinc/39/35/19/519393519.db2.gz YERXWJCTRCSIFJ-OAHLLOKOSA-N -1 3 350.827 2.532 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000574944527 519414507 /nfs/dbraw/zinc/41/45/07/519414507.db2.gz SNUVNYYNJRSVQL-KRWDZBQOSA-N -1 3 362.426 2.735 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000572353869 519570863 /nfs/dbraw/zinc/57/08/63/519570863.db2.gz DDNUNIAQWFMYFN-KGLIPLIRSA-N -1 3 350.465 2.822 20 30 FFEDHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000581223885 519583613 /nfs/dbraw/zinc/58/36/13/519583613.db2.gz RXQMDTSTKQUPSE-UHFFFAOYSA-N -1 3 364.814 2.756 20 30 FFEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C#N)c(Cl)c3)cn21 ZINC000591328458 519592124 /nfs/dbraw/zinc/59/21/24/519592124.db2.gz ZWKSWICRZAPWOH-NSHDSACASA-N -1 3 364.858 2.784 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594473520 519983751 /nfs/dbraw/zinc/98/37/51/519983751.db2.gz LACFIDYFPWMPNZ-GOEBONIOSA-N -1 3 354.859 2.838 20 30 FFEDHM CCOc1ccncc1S(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCC1 ZINC000594481320 519991099 /nfs/dbraw/zinc/99/10/99/519991099.db2.gz JJSJHRFXHNIBEP-UHFFFAOYSA-N -1 3 357.435 2.710 20 30 FFEDHM N#CC1(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCCC1 ZINC000597382940 519991544 /nfs/dbraw/zinc/99/15/44/519991544.db2.gz JWWWSSSFDCQKPN-UHFFFAOYSA-N -1 3 355.438 2.541 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594485154 519994133 /nfs/dbraw/zinc/99/41/33/519994133.db2.gz XOOOBCVVYHCKMS-CABCVRRESA-N -1 3 353.875 2.507 20 30 FFEDHM C=CCCSCCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603044657 520044367 /nfs/dbraw/zinc/04/43/67/520044367.db2.gz RUCGKNIBTFUZTE-UHFFFAOYSA-N -1 3 356.801 2.952 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594779421 520153706 /nfs/dbraw/zinc/15/37/06/520153706.db2.gz MWUAFZGGJXZASV-RYUDHWBXSA-N -1 3 360.395 2.504 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000594790658 520157995 /nfs/dbraw/zinc/15/79/95/520157995.db2.gz WBLSZAUDSVBCGT-NEPJUHHUSA-N -1 3 373.496 2.957 20 30 FFEDHM COC(=O)c1csc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)c1 ZINC000594813374 520170222 /nfs/dbraw/zinc/17/02/22/520170222.db2.gz QFGTXHVYACJZDU-UHFFFAOYSA-N -1 3 364.448 2.620 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1)C(C)C ZINC000592353139 520345608 /nfs/dbraw/zinc/34/56/08/520345608.db2.gz YQGZBRDQBOFYNR-ZDUSSCGKSA-N -1 3 366.361 2.870 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)cc1 ZINC000604031164 520431887 /nfs/dbraw/zinc/43/18/87/520431887.db2.gz NUKCYLBYVLNWTM-UHFFFAOYSA-N -1 3 353.403 2.833 20 30 FFEDHM CCc1cc(C#N)c(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)s1 ZINC000604029733 520432049 /nfs/dbraw/zinc/43/20/49/520432049.db2.gz DFLSXJUFCYBLOX-UHFFFAOYSA-N -1 3 368.418 2.626 20 30 FFEDHM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000595391636 520443825 /nfs/dbraw/zinc/44/38/25/520443825.db2.gz OEKDQDJAHNPUQI-DOTOQJQBSA-N -1 3 350.484 2.544 20 30 FFEDHM N#Cc1cccc(COc2cccc(CN[C@@H](C(=O)[O-])[C@H]3CCCO3)c2)c1 ZINC000600943033 520548819 /nfs/dbraw/zinc/54/88/19/520548819.db2.gz POCVMNCDFUELSG-WOJBJXKFSA-N -1 3 366.417 2.859 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(O)CCC(C)(C)CC1 ZINC000598339640 520562632 /nfs/dbraw/zinc/56/26/32/520562632.db2.gz BFIWPRGUVBJUOS-UHFFFAOYSA-N -1 3 359.470 2.656 20 30 FFEDHM N#CC1(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CC2(CC2)C1 ZINC000600972927 520566571 /nfs/dbraw/zinc/56/65/71/520566571.db2.gz OPQKBUWMUUVZGU-UHFFFAOYSA-N -1 3 353.422 2.653 20 30 FFEDHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610265191 520611271 /nfs/dbraw/zinc/61/12/71/520611271.db2.gz GGXBILWDXVVRLA-ZWKOTPCHSA-N -1 3 360.410 2.714 20 30 FFEDHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613926168 520729746 /nfs/dbraw/zinc/72/97/46/520729746.db2.gz ULZCKHIUXZBEFR-BLLLJJGKSA-N -1 3 364.854 2.655 20 30 FFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4c([nH]c3=O)CCCC4=O)nc21 ZINC000605363126 520846954 /nfs/dbraw/zinc/84/69/54/520846954.db2.gz KEIDCSSJJSCPLA-ZDUSSCGKSA-N -1 3 360.373 2.981 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc2c([nH]c1=O)CCCC2 ZINC000593286159 520883599 /nfs/dbraw/zinc/88/35/99/520883599.db2.gz WOMBOPGXDPWFIL-UHFFFAOYSA-N -1 3 363.826 2.992 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3sccc3C#N)sc2C1 ZINC000598887668 520901788 /nfs/dbraw/zinc/90/17/88/520901788.db2.gz AHPCGKXQJUMWJA-UHFFFAOYSA-N -1 3 356.432 2.710 20 30 FFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1cccs1 ZINC000618175929 520918658 /nfs/dbraw/zinc/91/86/58/520918658.db2.gz YQTOUIPPQVDZDI-CQSZACIVSA-N -1 3 364.448 2.511 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000611019456 520949350 /nfs/dbraw/zinc/94/93/50/520949350.db2.gz CRQOYTRLWCWFQP-AWEZNQCLSA-N -1 3 372.780 2.502 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000611028895 520954134 /nfs/dbraw/zinc/95/41/34/520954134.db2.gz GGYTWBQGDSBWPH-NSHDSACASA-N -1 3 361.261 2.818 20 30 FFEDHM N#Cc1ccc(OC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c(F)c1 ZINC000596229341 520985021 /nfs/dbraw/zinc/98/50/21/520985021.db2.gz KRDPUOCAZNMFQI-UHFFFAOYSA-N -1 3 358.329 2.754 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2F)C1 ZINC000593567213 521081983 /nfs/dbraw/zinc/08/19/83/521081983.db2.gz AWPDHNWLQVTMMD-GFCCVEGCSA-N -1 3 365.455 2.706 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CCCCC#N)ccc1F ZINC000593984915 521331486 /nfs/dbraw/zinc/33/14/86/521331486.db2.gz BXGSHRAYFQJHLP-UHFFFAOYSA-N -1 3 355.435 2.925 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000615748422 521520399 /nfs/dbraw/zinc/52/03/99/521520399.db2.gz HGQBOTSRSWETTD-TZMCWYRMSA-N -1 3 374.890 2.970 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1noc(-c2ccccc2)n1 ZINC000619491019 521594803 /nfs/dbraw/zinc/59/48/03/521594803.db2.gz BYQMYBMWWVMLSE-CYBMUJFWSA-N -1 3 368.418 2.842 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cn2cccn2)c2ccccc2)s1 ZINC000619547936 521764495 /nfs/dbraw/zinc/76/44/95/521764495.db2.gz CBBGTXPLPDAQJV-HNNXBMFYSA-N -1 3 358.448 2.536 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)nn1 ZINC000632636053 522202207 /nfs/dbraw/zinc/20/22/07/522202207.db2.gz YWHTUYPQHPMDMN-UHFFFAOYSA-N -1 3 354.501 2.692 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629500200 522282514 /nfs/dbraw/zinc/28/25/14/522282514.db2.gz GCOAOHGFTWNDTD-IJEWVQPXSA-N -1 3 350.484 2.694 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(-c3nnn[n-]3)cn2)ccc1OC ZINC000736310291 598829872 /nfs/dbraw/zinc/82/98/72/598829872.db2.gz XFHMBEVXYDKCSX-CQSZACIVSA-N -1 3 365.397 2.563 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)cn2)ccc1OC ZINC000736310291 598829874 /nfs/dbraw/zinc/82/98/74/598829874.db2.gz XFHMBEVXYDKCSX-CQSZACIVSA-N -1 3 365.397 2.563 20 30 FFEDHM N#CCOc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737698482 598842684 /nfs/dbraw/zinc/84/26/84/598842684.db2.gz ZJDZXHLGMGTSED-JXMROGBWSA-N -1 3 361.361 2.526 20 30 FFEDHM N#CCOc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737698482 598842686 /nfs/dbraw/zinc/84/26/86/598842686.db2.gz ZJDZXHLGMGTSED-JXMROGBWSA-N -1 3 361.361 2.526 20 30 FFEDHM C#CC(C)(C)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735375974 598911155 /nfs/dbraw/zinc/91/11/55/598911155.db2.gz VJBUIIJGHOMQRG-UHFFFAOYSA-N -1 3 361.405 2.587 20 30 FFEDHM C#CC(C)(C)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735375974 598911157 /nfs/dbraw/zinc/91/11/57/598911157.db2.gz VJBUIIJGHOMQRG-UHFFFAOYSA-N -1 3 361.405 2.587 20 30 FFEDHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736193326 598914807 /nfs/dbraw/zinc/91/48/07/598914807.db2.gz OWADDNZUANJHGS-GFCCVEGCSA-N -1 3 364.434 2.999 20 30 FFEDHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736193326 598914809 /nfs/dbraw/zinc/91/48/09/598914809.db2.gz OWADDNZUANJHGS-GFCCVEGCSA-N -1 3 364.434 2.999 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737709162 598918832 /nfs/dbraw/zinc/91/88/32/598918832.db2.gz KEMYIYLGUIVVGW-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737709162 598918834 /nfs/dbraw/zinc/91/88/34/598918834.db2.gz KEMYIYLGUIVVGW-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(-n3cccc3)c(F)c2)ccc1-c1nnn[n-]1 ZINC000737710018 598919259 /nfs/dbraw/zinc/91/92/59/598919259.db2.gz UEOPLHPUHMSXLF-UHFFFAOYSA-N -1 3 373.351 2.920 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(-n3cccc3)c(F)c2)ccc1-c1nn[n-]n1 ZINC000737710018 598919260 /nfs/dbraw/zinc/91/92/60/598919260.db2.gz UEOPLHPUHMSXLF-UHFFFAOYSA-N -1 3 373.351 2.920 20 30 FFEDHM CCCc1nc(C)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000736494482 598919834 /nfs/dbraw/zinc/91/98/34/598919834.db2.gz DBCPNWZYHZEFNS-UHFFFAOYSA-N -1 3 353.411 2.708 20 30 FFEDHM CCCc1nc(C)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000736494482 598919835 /nfs/dbraw/zinc/91/98/35/598919835.db2.gz DBCPNWZYHZEFNS-UHFFFAOYSA-N -1 3 353.411 2.708 20 30 FFEDHM N#Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737717113 598920954 /nfs/dbraw/zinc/92/09/54/598920954.db2.gz YWXLZICGVJYAMB-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737717113 598920955 /nfs/dbraw/zinc/92/09/55/598920955.db2.gz YWXLZICGVJYAMB-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736058366 598924529 /nfs/dbraw/zinc/92/45/29/598924529.db2.gz LNNDEPCKCWZYTB-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736058366 598924531 /nfs/dbraw/zinc/92/45/31/598924531.db2.gz LNNDEPCKCWZYTB-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000736191347 599109477 /nfs/dbraw/zinc/10/94/77/599109477.db2.gz IFGHQGLBJPKBPU-LBPRGKRZSA-N -1 3 356.455 2.690 20 30 FFEDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NC1(C#N)CCCCC1 ZINC000736191347 599109479 /nfs/dbraw/zinc/10/94/79/599109479.db2.gz IFGHQGLBJPKBPU-LBPRGKRZSA-N -1 3 356.455 2.690 20 30 FFEDHM N#CCCCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737686518 599130037 /nfs/dbraw/zinc/13/00/37/599130037.db2.gz CENNVZGLTAPYML-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM N#CCCCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737686518 599130040 /nfs/dbraw/zinc/13/00/40/599130040.db2.gz CENNVZGLTAPYML-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000737715557 599192480 /nfs/dbraw/zinc/19/24/80/599192480.db2.gz BAMQAZVKIWZWMM-MDZDMXLPSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000737715557 599192483 /nfs/dbraw/zinc/19/24/83/599192483.db2.gz BAMQAZVKIWZWMM-MDZDMXLPSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000737716058 599196451 /nfs/dbraw/zinc/19/64/51/599196451.db2.gz KSZHYKFEFFUOKB-KGLIPLIRSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000737716058 599196452 /nfs/dbraw/zinc/19/64/52/599196452.db2.gz KSZHYKFEFFUOKB-KGLIPLIRSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)C(F)(F)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737719440 599194646 /nfs/dbraw/zinc/19/46/46/599194646.db2.gz UUKHLHPNSMIMGL-UHFFFAOYSA-N -1 3 358.283 2.608 20 30 FFEDHM N#Cc1ccc(NC(=O)C(F)(F)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737719440 599194648 /nfs/dbraw/zinc/19/46/48/599194648.db2.gz UUKHLHPNSMIMGL-UHFFFAOYSA-N -1 3 358.283 2.608 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736245579 599201766 /nfs/dbraw/zinc/20/17/66/599201766.db2.gz SXIGEOUSNAOJAE-PXAZEXFGSA-N -1 3 356.455 2.547 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736245579 599201769 /nfs/dbraw/zinc/20/17/69/599201769.db2.gz SXIGEOUSNAOJAE-PXAZEXFGSA-N -1 3 356.455 2.547 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735409847 599203479 /nfs/dbraw/zinc/20/34/79/599203479.db2.gz MQLHFUKYNPTEAZ-LBPRGKRZSA-N -1 3 350.382 2.748 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735409847 599203481 /nfs/dbraw/zinc/20/34/81/599203481.db2.gz MQLHFUKYNPTEAZ-LBPRGKRZSA-N -1 3 350.382 2.748 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735409600 599203724 /nfs/dbraw/zinc/20/37/24/599203724.db2.gz GPVIJMKGPGXDJO-GFCCVEGCSA-N -1 3 350.426 2.969 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819701453 599244467 /nfs/dbraw/zinc/24/44/67/599244467.db2.gz HYFNOPQNENTKDT-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819701453 599244469 /nfs/dbraw/zinc/24/44/69/599244469.db2.gz HYFNOPQNENTKDT-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM Fc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC(F)F ZINC000826372363 607844274 /nfs/dbraw/zinc/84/42/74/607844274.db2.gz STDFXUWRTFVVDK-UHFFFAOYSA-N -1 3 362.315 2.731 20 30 FFEDHM Fc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1OC(F)F ZINC000826372363 607844275 /nfs/dbraw/zinc/84/42/75/607844275.db2.gz STDFXUWRTFVVDK-UHFFFAOYSA-N -1 3 362.315 2.731 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737715899 598322892 /nfs/dbraw/zinc/32/28/92/598322892.db2.gz HHQJPZCLWWKXEW-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000737715899 598322893 /nfs/dbraw/zinc/32/28/93/598322893.db2.gz HHQJPZCLWWKXEW-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM C=CCOc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735436057 598323374 /nfs/dbraw/zinc/32/33/74/598323374.db2.gz DTFLSVYWTNRDMJ-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCOc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735436057 598323375 /nfs/dbraw/zinc/32/33/75/598323375.db2.gz DTFLSVYWTNRDMJ-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C(C)=O)cs1 ZINC000735421400 598394847 /nfs/dbraw/zinc/39/48/47/598394847.db2.gz YKAUCTKTARKEAT-UHFFFAOYSA-N -1 3 367.434 2.959 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C(C)=O)cs1 ZINC000735421400 598394848 /nfs/dbraw/zinc/39/48/48/598394848.db2.gz YKAUCTKTARKEAT-UHFFFAOYSA-N -1 3 367.434 2.959 20 30 FFEDHM C#CCOc1cccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735381000 598413973 /nfs/dbraw/zinc/41/39/73/598413973.db2.gz QQDLMWULBCIBFG-KHPPLWFESA-N -1 3 360.373 2.635 20 30 FFEDHM C#CCOc1cccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735381000 598413974 /nfs/dbraw/zinc/41/39/74/598413974.db2.gz QQDLMWULBCIBFG-KHPPLWFESA-N -1 3 360.373 2.635 20 30 FFEDHM COc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(Cl)c1OC ZINC000737082201 598418165 /nfs/dbraw/zinc/41/81/65/598418165.db2.gz FDYATSVTNMRXTK-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM COc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(Cl)c1OC ZINC000737082201 598418166 /nfs/dbraw/zinc/41/81/66/598418166.db2.gz FDYATSVTNMRXTK-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM N#Cc1ccc(S[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737723341 598420198 /nfs/dbraw/zinc/42/01/98/598420198.db2.gz SXOWGOSIONKIAN-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccc(S[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737723341 598420200 /nfs/dbraw/zinc/42/02/00/598420200.db2.gz SXOWGOSIONKIAN-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735438264 598553925 /nfs/dbraw/zinc/55/39/25/598553925.db2.gz ZFWACMVRKOALLI-UHFFFAOYSA-N -1 3 351.366 2.800 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735438264 598553928 /nfs/dbraw/zinc/55/39/28/598553928.db2.gz ZFWACMVRKOALLI-UHFFFAOYSA-N -1 3 351.366 2.800 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735506003 598691269 /nfs/dbraw/zinc/69/12/69/598691269.db2.gz YISAHDFCAUGNBE-GMGKOPGTSA-N -1 3 372.432 2.911 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735506003 598691271 /nfs/dbraw/zinc/69/12/71/598691271.db2.gz YISAHDFCAUGNBE-GMGKOPGTSA-N -1 3 372.432 2.911 20 30 FFEDHM C#CCOc1ccc(F)cc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735380037 599329877 /nfs/dbraw/zinc/32/98/77/599329877.db2.gz BFHLBXFUACLPET-UHFFFAOYSA-N -1 3 367.384 2.899 20 30 FFEDHM c1ccc2c(c1)nccc2NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823796549 599341075 /nfs/dbraw/zinc/34/10/75/599341075.db2.gz DAOPGYDVBKLOPC-UHFFFAOYSA-N -1 3 355.405 2.989 20 30 FFEDHM C#CCOc1ccc(F)cc1NCc1cc(-c2nnn[n-]2)ccc1OC ZINC000819709943 607370471 /nfs/dbraw/zinc/37/04/71/607370471.db2.gz UMAYFMUWWVYJSF-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM C#CCOc1ccc(F)cc1NCc1cc(-c2nn[n-]n2)ccc1OC ZINC000819709943 607370473 /nfs/dbraw/zinc/37/04/73/607370473.db2.gz UMAYFMUWWVYJSF-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM N#CC1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000737679375 599567930 /nfs/dbraw/zinc/56/79/30/599567930.db2.gz QCRURVBTVMLZRM-UHFFFAOYSA-N -1 3 373.420 2.986 20 30 FFEDHM CCOc1c(F)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000821389349 599631924 /nfs/dbraw/zinc/63/19/24/599631924.db2.gz JRTATTXASBYXNC-UHFFFAOYSA-N -1 3 352.329 2.528 20 30 FFEDHM CCOc1c(F)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000821389349 599631925 /nfs/dbraw/zinc/63/19/25/599631925.db2.gz JRTATTXASBYXNC-UHFFFAOYSA-N -1 3 352.329 2.528 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000826243595 607443417 /nfs/dbraw/zinc/44/34/17/607443417.db2.gz NYLHVSYXIPIPCM-UHFFFAOYSA-N -1 3 352.785 2.977 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000826243595 607443418 /nfs/dbraw/zinc/44/34/18/607443418.db2.gz NYLHVSYXIPIPCM-UHFFFAOYSA-N -1 3 352.785 2.977 20 30 FFEDHM N#CCC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826381528 607447635 /nfs/dbraw/zinc/44/76/35/607447635.db2.gz PDYAXPKCUPWYMM-HNNXBMFYSA-N -1 3 368.347 2.920 20 30 FFEDHM N#CCC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381528 607447636 /nfs/dbraw/zinc/44/76/36/607447636.db2.gz PDYAXPKCUPWYMM-HNNXBMFYSA-N -1 3 368.347 2.920 20 30 FFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000739105369 600570899 /nfs/dbraw/zinc/57/08/99/600570899.db2.gz LMEGBQDYYGHPDQ-FQEVSTJZSA-N -1 3 369.465 2.799 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000832875693 601934400 /nfs/dbraw/zinc/93/44/00/601934400.db2.gz CUNSGILFQZMDSS-UZLBHIALSA-N -1 3 357.454 2.735 20 30 FFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1(C(=O)[O-])CCCC1 ZINC000830661071 604460532 /nfs/dbraw/zinc/46/05/32/604460532.db2.gz OQURXTNCVVBWLP-GFCCVEGCSA-N -1 3 357.435 2.802 20 30 FFEDHM N#Cc1ccc(NC(=O)C2CC(OCc3ccccc3)C2)cc1-c1nnn[n-]1 ZINC000822830006 606149911 /nfs/dbraw/zinc/14/99/11/606149911.db2.gz SODVATFNIUSVSL-UHFFFAOYSA-N -1 3 374.404 2.672 20 30 FFEDHM N#Cc1ccc(NC(=O)C2CC(OCc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000822830006 606149913 /nfs/dbraw/zinc/14/99/13/606149913.db2.gz SODVATFNIUSVSL-UHFFFAOYSA-N -1 3 374.404 2.672 20 30 FFEDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(Cl)cc1 ZINC000823009706 606191609 /nfs/dbraw/zinc/19/16/09/606191609.db2.gz QNOKTBBNCJUHQZ-UHFFFAOYSA-N -1 3 367.796 2.527 20 30 FFEDHM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)[C@H]1C ZINC000820696731 606203422 /nfs/dbraw/zinc/20/34/22/606203422.db2.gz BOWSCIXSTFHQPY-NRUUGDAUSA-N -1 3 363.516 2.551 20 30 FFEDHM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)[C@H]1C ZINC000820696731 606203424 /nfs/dbraw/zinc/20/34/24/606203424.db2.gz BOWSCIXSTFHQPY-NRUUGDAUSA-N -1 3 363.516 2.551 20 30 FFEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cn2)c1 ZINC000822837812 606268898 /nfs/dbraw/zinc/26/88/98/606268898.db2.gz UNGRMUNSLYXEPO-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cn2)c1 ZINC000822837812 606268900 /nfs/dbraw/zinc/26/89/00/606268900.db2.gz UNGRMUNSLYXEPO-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@H]2CCc3ccc(F)cc32)nc1N ZINC000822818978 606328440 /nfs/dbraw/zinc/32/84/40/606328440.db2.gz JPXUBRMGJBZLCF-ZDUSSCGKSA-N -1 3 353.386 2.634 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@H]2CCc3ccc(F)cc32)nc1N ZINC000822818978 606328441 /nfs/dbraw/zinc/32/84/41/606328441.db2.gz JPXUBRMGJBZLCF-ZDUSSCGKSA-N -1 3 353.386 2.634 20 30 FFEDHM C=CCOCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819750984 606360694 /nfs/dbraw/zinc/36/06/94/606360694.db2.gz LHKOKGOSPRBRPQ-UHFFFAOYSA-N -1 3 352.350 2.767 20 30 FFEDHM C=CCOCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819750984 606360695 /nfs/dbraw/zinc/36/06/95/606360695.db2.gz LHKOKGOSPRBRPQ-UHFFFAOYSA-N -1 3 352.350 2.767 20 30 FFEDHM Cc1ccc(C)c(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822232281 606368876 /nfs/dbraw/zinc/36/88/76/606368876.db2.gz ZNRZCTFOPXAVPS-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000822922921 606391573 /nfs/dbraw/zinc/39/15/73/606391573.db2.gz KXMGOEINOHEOCV-ALCCZGGFSA-N -1 3 367.390 2.781 20 30 FFEDHM CCOCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821373945 606407844 /nfs/dbraw/zinc/40/78/44/606407844.db2.gz OTZGFUOKCNQZFE-CYBMUJFWSA-N -1 3 368.422 2.593 20 30 FFEDHM CCOCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821373945 606407846 /nfs/dbraw/zinc/40/78/46/606407846.db2.gz OTZGFUOKCNQZFE-CYBMUJFWSA-N -1 3 368.422 2.593 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823363900 606488124 /nfs/dbraw/zinc/48/81/24/606488124.db2.gz QRWHTSHBFBWRKT-UHFFFAOYSA-N -1 3 372.413 2.975 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823363900 606488127 /nfs/dbraw/zinc/48/81/27/606488127.db2.gz QRWHTSHBFBWRKT-UHFFFAOYSA-N -1 3 372.413 2.975 20 30 FFEDHM C=CCc1ccc(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000819758611 606492745 /nfs/dbraw/zinc/49/27/45/606492745.db2.gz BLCBVARXGWSMCL-UHFFFAOYSA-N -1 3 350.378 2.752 20 30 FFEDHM C=CCc1ccc(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000819758611 606492746 /nfs/dbraw/zinc/49/27/46/606492746.db2.gz BLCBVARXGWSMCL-UHFFFAOYSA-N -1 3 350.378 2.752 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C#N)s1 ZINC000821699543 606494288 /nfs/dbraw/zinc/49/42/88/606494288.db2.gz UEWCZEOGDDWLNT-UHFFFAOYSA-N -1 3 361.770 2.681 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C#N)s1 ZINC000821699543 606494290 /nfs/dbraw/zinc/49/42/90/606494290.db2.gz UEWCZEOGDDWLNT-UHFFFAOYSA-N -1 3 361.770 2.681 20 30 FFEDHM N#CCCCOc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822805819 606495886 /nfs/dbraw/zinc/49/58/86/606495886.db2.gz FFYAEJKJTWGWHD-UHFFFAOYSA-N -1 3 354.395 2.863 20 30 FFEDHM N#CCCCOc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822805819 606495888 /nfs/dbraw/zinc/49/58/88/606495888.db2.gz FFYAEJKJTWGWHD-UHFFFAOYSA-N -1 3 354.395 2.863 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000822217421 606660741 /nfs/dbraw/zinc/66/07/41/606660741.db2.gz DEVGLWMHQPRTDI-UHFFFAOYSA-N -1 3 362.397 2.518 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000822217421 606660742 /nfs/dbraw/zinc/66/07/42/606660742.db2.gz DEVGLWMHQPRTDI-UHFFFAOYSA-N -1 3 362.397 2.518 20 30 FFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1c(F)cc(C#N)cc1F ZINC000821390232 606666264 /nfs/dbraw/zinc/66/62/64/606666264.db2.gz UTOACWUECQUEGU-UHFFFAOYSA-N -1 3 371.303 2.634 20 30 FFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1c(F)cc(C#N)cc1F ZINC000821390232 606666265 /nfs/dbraw/zinc/66/62/65/606666265.db2.gz UTOACWUECQUEGU-UHFFFAOYSA-N -1 3 371.303 2.634 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H](C)CC#N)cc1 ZINC000822135459 606789672 /nfs/dbraw/zinc/78/96/72/606789672.db2.gz AXXFBUUKQJUHIJ-CYBMUJFWSA-N -1 3 362.393 2.999 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@H](C)CC#N)cc1 ZINC000822135459 606789673 /nfs/dbraw/zinc/78/96/73/606789673.db2.gz AXXFBUUKQJUHIJ-CYBMUJFWSA-N -1 3 362.393 2.999 20 30 FFEDHM N#Cc1cc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)ccn1 ZINC000822819609 606896066 /nfs/dbraw/zinc/89/60/66/606896066.db2.gz XZPHENFNSPLPPT-UHFFFAOYSA-N -1 3 374.282 2.509 20 30 FFEDHM N#Cc1cc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)ccn1 ZINC000822819609 606896067 /nfs/dbraw/zinc/89/60/67/606896067.db2.gz XZPHENFNSPLPPT-UHFFFAOYSA-N -1 3 374.282 2.509 20 30 FFEDHM N#Cc1ccc(F)cc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822829882 607078070 /nfs/dbraw/zinc/07/80/70/607078070.db2.gz NMKPLQLYBLUJAC-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1ccc(F)cc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000822829882 607078071 /nfs/dbraw/zinc/07/80/71/607078071.db2.gz NMKPLQLYBLUJAC-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000822829946 607201164 /nfs/dbraw/zinc/20/11/64/607201164.db2.gz QOJDNFCFSHFWBX-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000822829946 607201165 /nfs/dbraw/zinc/20/11/65/607201165.db2.gz QOJDNFCFSHFWBX-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM N#CC(=C([O-])c1ccc(-c2nn[nH]n2)[nH]1)c1nc2cc(Cl)ccc2s1 ZINC000826379076 607776805 /nfs/dbraw/zinc/77/68/05/607776805.db2.gz IMYQPNTWDPNEQJ-QMMMGPOBSA-N -1 3 369.797 2.948 20 30 FFEDHM c1ccc(C(C[C@@H]2CCOC2)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826520874 607816460 /nfs/dbraw/zinc/81/64/60/607816460.db2.gz SXVQNCFWAMTAOU-INIZCTEOSA-N -1 3 362.437 2.787 20 30 FFEDHM c1ccc(C(C[C@@H]2CCOC2)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826520874 607816461 /nfs/dbraw/zinc/81/64/61/607816461.db2.gz SXVQNCFWAMTAOU-INIZCTEOSA-N -1 3 362.437 2.787 20 30 FFEDHM C[C@H](C#N)CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000824034738 607823865 /nfs/dbraw/zinc/82/38/65/607823865.db2.gz OFQKQNSFIQFSFO-CQSZACIVSA-N -1 3 368.441 2.566 20 30 FFEDHM C[C@H](C#N)CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824034738 607823866 /nfs/dbraw/zinc/82/38/66/607823866.db2.gz OFQKQNSFIQFSFO-CQSZACIVSA-N -1 3 368.441 2.566 20 30 FFEDHM Clc1nc(Cl)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826353741 607890545 /nfs/dbraw/zinc/89/05/45/607890545.db2.gz CBWCZWBBDODKOC-UHFFFAOYSA-N -1 3 354.226 2.754 20 30 FFEDHM Clc1nc(Cl)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826353741 607890546 /nfs/dbraw/zinc/89/05/46/607890546.db2.gz CBWCZWBBDODKOC-UHFFFAOYSA-N -1 3 354.226 2.754 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC000823909339 607927759 /nfs/dbraw/zinc/92/77/59/607927759.db2.gz AAWYMMYCOUZXMK-SJORKVTESA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC)[C@@H]1CCCO1 ZINC000823909339 607927760 /nfs/dbraw/zinc/92/77/60/607927760.db2.gz AAWYMMYCOUZXMK-SJORKVTESA-N -1 3 370.457 2.522 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000823838878 607960708 /nfs/dbraw/zinc/96/07/08/607960708.db2.gz WCLFKAYCJUOSFK-HNNXBMFYSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000823838878 607960709 /nfs/dbraw/zinc/96/07/09/607960709.db2.gz WCLFKAYCJUOSFK-HNNXBMFYSA-N -1 3 362.393 2.761 20 30 FFEDHM Cc1c(C(=O)C=Cc2nc(Cl)cs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234018 607981889 /nfs/dbraw/zinc/98/18/89/607981889.db2.gz DWLXKUGQTFCAPJ-PLNGDYQASA-N -1 3 360.830 2.929 20 30 FFEDHM Cc1c(C(=O)C=Cc2nc(Cl)cs2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234018 607981890 /nfs/dbraw/zinc/98/18/90/607981890.db2.gz DWLXKUGQTFCAPJ-PLNGDYQASA-N -1 3 360.830 2.929 20 30 FFEDHM N#C[C@@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1cccs1 ZINC000826379173 608276507 /nfs/dbraw/zinc/27/65/07/608276507.db2.gz KZKPUOUKJQAFIK-GWJCSSMESA-N -1 3 365.418 2.867 20 30 FFEDHM N#C[C@@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1cccs1 ZINC000826379173 608276509 /nfs/dbraw/zinc/27/65/09/608276509.db2.gz KZKPUOUKJQAFIK-GWJCSSMESA-N -1 3 365.418 2.867 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824109092 608289033 /nfs/dbraw/zinc/28/90/33/608289033.db2.gz MYQPCELFWUGPOF-ZDUSSCGKSA-N -1 3 357.418 2.712 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824109092 608289035 /nfs/dbraw/zinc/28/90/35/608289035.db2.gz MYQPCELFWUGPOF-ZDUSSCGKSA-N -1 3 357.418 2.712 20 30 FFEDHM CCOc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825632412 608320002 /nfs/dbraw/zinc/32/00/02/608320002.db2.gz QSUXBTGUGWVBRK-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM CCOc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825632412 608320005 /nfs/dbraw/zinc/32/00/05/608320005.db2.gz QSUXBTGUGWVBRK-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(C#N)c1 ZINC000824633243 608483710 /nfs/dbraw/zinc/48/37/10/608483710.db2.gz IWISYZQGLSEZJC-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(C#N)c1 ZINC000824633243 608483711 /nfs/dbraw/zinc/48/37/11/608483711.db2.gz IWISYZQGLSEZJC-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM N#Cc1ccc2[nH]cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c2c1 ZINC000826386246 608536639 /nfs/dbraw/zinc/53/66/39/608536639.db2.gz VYCTUPZKEFYWSY-UHFFFAOYSA-N -1 3 363.772 2.714 20 30 FFEDHM N#Cc1ccc2[nH]cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c2c1 ZINC000826386246 608536640 /nfs/dbraw/zinc/53/66/40/608536640.db2.gz VYCTUPZKEFYWSY-UHFFFAOYSA-N -1 3 363.772 2.714 20 30 FFEDHM N#Cc1ccc2c(c1)CCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826385996 608536833 /nfs/dbraw/zinc/53/68/33/608536833.db2.gz KVRRHLGJMJJGIT-UHFFFAOYSA-N -1 3 364.800 2.939 20 30 FFEDHM N#Cc1ccc2c(c1)CCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826385996 608536834 /nfs/dbraw/zinc/53/68/34/608536834.db2.gz KVRRHLGJMJJGIT-UHFFFAOYSA-N -1 3 364.800 2.939 20 30 FFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1OC ZINC000826215689 609134126 /nfs/dbraw/zinc/13/41/26/609134126.db2.gz WIMURMVJZROROH-VQHVLOKHSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1OC ZINC000826215689 609134127 /nfs/dbraw/zinc/13/41/27/609134127.db2.gz WIMURMVJZROROH-VQHVLOKHSA-N -1 3 354.341 2.919 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C#N)CCCCC1 ZINC000824739610 609152411 /nfs/dbraw/zinc/15/24/11/609152411.db2.gz YKJWMOWJBYGGNW-CYBMUJFWSA-N -1 3 355.398 2.651 20 30 FFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825971436 609162499 /nfs/dbraw/zinc/16/24/99/609162499.db2.gz GLKFJLIOHAEKNG-UHFFFAOYSA-N -1 3 358.405 2.694 20 30 FFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825971436 609162502 /nfs/dbraw/zinc/16/25/02/609162502.db2.gz GLKFJLIOHAEKNG-UHFFFAOYSA-N -1 3 358.405 2.694 20 30 FFEDHM C[C@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000824777050 609600477 /nfs/dbraw/zinc/60/04/77/609600477.db2.gz HBYKMKVFESRZNV-QGZVFWFLSA-N -1 3 355.352 2.823 20 30 FFEDHM C[C@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000824777050 609600478 /nfs/dbraw/zinc/60/04/78/609600478.db2.gz HBYKMKVFESRZNV-QGZVFWFLSA-N -1 3 355.352 2.823 20 30 FFEDHM COc1cc(C=NNS(=O)(=O)CCc2ccccc2)cc(Cl)c1[O-] ZINC000743448682 735298558 /nfs/dbraw/zinc/29/85/58/735298558.db2.gz AFYGCUZRDTZGRW-UHFFFAOYSA-N -1 3 368.842 2.550 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCC1CC1 ZINC000744289289 735345500 /nfs/dbraw/zinc/34/55/00/735345500.db2.gz ZDGJRUQFJVFCTJ-HNNXBMFYSA-N -1 3 364.467 2.627 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2F)ccc1F ZINC000029052804 727890895 /nfs/dbraw/zinc/89/08/95/727890895.db2.gz CPEHWDGDRWBFCD-UHFFFAOYSA-N -1 3 352.362 2.681 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Br)c(F)c1 ZINC000126306616 728698567 /nfs/dbraw/zinc/69/85/67/728698567.db2.gz MEJWYGKBUPMCSL-JTQLQIEISA-N -1 3 362.158 2.944 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CC(C)C)ccc1F ZINC000128858038 728709780 /nfs/dbraw/zinc/70/97/80/728709780.db2.gz KIUQIDZPNDITIY-HNNXBMFYSA-N -1 3 368.474 2.941 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1Cl ZINC000135369789 728738099 /nfs/dbraw/zinc/73/80/99/728738099.db2.gz CBIDCZJOWJNBTL-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM CCC[C@H](C)[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000778749127 738409527 /nfs/dbraw/zinc/40/95/27/738409527.db2.gz CCKKLMJIKWFGEW-IHRRRGAJSA-N -1 3 366.483 2.872 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000179777278 729194276 /nfs/dbraw/zinc/19/42/76/729194276.db2.gz WQRDQBUPCQTFDG-LBPRGKRZSA-N -1 3 354.447 2.741 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H]2CC)ccc1F ZINC000187429284 729375874 /nfs/dbraw/zinc/37/58/74/729375874.db2.gz YUPJJEDIENESGC-SWLSCSKDSA-N -1 3 354.447 2.551 20 30 FFEDHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000859430938 730454541 /nfs/dbraw/zinc/45/45/41/730454541.db2.gz XMNVOPCPYKKCDM-JTQLQIEISA-N -1 3 355.765 2.675 20 30 FFEDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866353465 731051564 /nfs/dbraw/zinc/05/15/64/731051564.db2.gz YHDNVTQXIBYQHV-NSHDSACASA-N -1 3 350.465 2.970 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)[N-]OCCCC(F)(F)F)C2)c(F)c1 ZINC000871216273 731607972 /nfs/dbraw/zinc/60/79/72/731607972.db2.gz QENJNPUHAQPNKP-GFCCVEGCSA-N -1 3 359.323 2.914 20 30 FFEDHM N#CCCCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316643 731619032 /nfs/dbraw/zinc/61/90/32/731619032.db2.gz XJYRVQUOQNJTCA-LBPRGKRZSA-N -1 3 353.344 2.879 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000657036548 731709141 /nfs/dbraw/zinc/70/91/41/731709141.db2.gz JOXQAFWMTOBKOQ-CMPLNLGQSA-N -1 3 354.403 2.673 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000780774459 738575327 /nfs/dbraw/zinc/57/53/27/738575327.db2.gz BLCRZMYXGHZGAG-SECBINFHSA-N -1 3 369.258 2.700 20 30 FFEDHM C#CC1([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCCC1 ZINC000882775216 733292607 /nfs/dbraw/zinc/29/26/07/733292607.db2.gz UPIXZAWYJZGLJW-UHFFFAOYSA-N -1 3 358.822 2.662 20 30 FFEDHM O=C([N-]CC#C[C@@H]1CCCCO1)C(F)(F)c1ncccc1Br ZINC000891109671 734380116 /nfs/dbraw/zinc/38/01/16/734380116.db2.gz KIVGNIMBAVOMII-NSHDSACASA-N -1 3 373.197 2.625 20 30 FFEDHM N#CCn1cc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)cn1 ZINC000727359977 734479765 /nfs/dbraw/zinc/47/97/65/734479765.db2.gz WLISVORFGUADOM-VMPITWQZSA-N -1 3 367.228 2.582 20 30 FFEDHM Cc1ccn2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c2n1 ZINC000727954077 734508704 /nfs/dbraw/zinc/50/87/04/734508704.db2.gz VERNUJQYCJBKAZ-LLVKDONJSA-N -1 3 353.769 2.652 20 30 FFEDHM CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(Br)cc(F)c1[O-] ZINC000783864618 738843754 /nfs/dbraw/zinc/84/37/54/738843754.db2.gz WITUFZLNSWYDFN-CHWSQXEVSA-N -1 3 369.238 2.878 20 30 FFEDHM COc1cc(C=NNc2ccc(Br)nc2)c([N+](=O)[O-])cc1[O-] ZINC000732713281 734758718 /nfs/dbraw/zinc/75/87/18/734758718.db2.gz WEOSIXBTNGTHAE-UHFFFAOYSA-N -1 3 367.159 2.913 20 30 FFEDHM O=c1nc(C=N[O-])ccn1CCCCOc1ccccc1C(F)(F)F ZINC000736307252 734981458 /nfs/dbraw/zinc/98/14/58/734981458.db2.gz QQBWWTNFEYSGMW-UHFFFAOYSA-N -1 3 355.316 2.929 20 30 FFEDHM CC(=NN=c1cc[nH]c(N(C)C)n1)c1cc(Br)ccc1[O-] ZINC000739412698 735050963 /nfs/dbraw/zinc/05/09/63/735050963.db2.gz AMKNPEWSLCJXNF-UHFFFAOYSA-N -1 3 350.220 2.847 20 30 FFEDHM COc1ccc(N=Cc2cc(Br)ccc2[O-])cc1-n1cnnn1 ZINC000741463338 735144684 /nfs/dbraw/zinc/14/46/84/735144684.db2.gz DFUITRCHFHPCNU-UHFFFAOYSA-N -1 3 374.198 2.890 20 30 FFEDHM N#C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(Br)cc1 ZINC000900112236 735603431 /nfs/dbraw/zinc/60/34/31/735603431.db2.gz VAEHEKKYZFMADR-CYBMUJFWSA-N -1 3 373.210 2.817 20 30 FFEDHM N#C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1Br ZINC000900698391 735681473 /nfs/dbraw/zinc/68/14/73/735681473.db2.gz GFZMVJOVFIQGOV-ZDUSSCGKSA-N -1 3 373.210 2.817 20 30 FFEDHM C=CCC[C@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000901689331 735820381 /nfs/dbraw/zinc/82/03/81/735820381.db2.gz DETPIPZCFTVDGV-ZDUSSCGKSA-N -1 3 365.231 2.539 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC#Cc2ccc(Cl)cc2)cc1 ZINC000750876372 735821950 /nfs/dbraw/zinc/82/19/50/735821950.db2.gz LFEBDAHNDUFCND-UHFFFAOYSA-N -1 3 363.822 2.920 20 30 FFEDHM COC(=O)C[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000751891243 735930593 /nfs/dbraw/zinc/93/05/93/735930593.db2.gz XPPXDHADWKUOEJ-JRLSWLOKSA-N -1 3 362.813 2.965 20 30 FFEDHM COc1cc(C=CC(=O)C2=C(C)N=C3N=NNN3[C@@H]2C)cc(Cl)c1[O-] ZINC000752881524 736020020 /nfs/dbraw/zinc/02/00/20/736020020.db2.gz KZPIUYFFBCVOCJ-XRVBUDJMSA-N -1 3 361.789 2.856 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000903095624 736030410 /nfs/dbraw/zinc/03/04/10/736030410.db2.gz WOAFVDIRSXQPIE-NSHDSACASA-N -1 3 363.252 2.946 20 30 FFEDHM C[C@@]1(CS(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)CC1(Cl)Cl ZINC000903115484 736033586 /nfs/dbraw/zinc/03/35/86/736033586.db2.gz BTYAPMCLRCKNSI-GJZGRUSLSA-N -1 3 373.305 2.941 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)ccc1F ZINC000754697497 736189269 /nfs/dbraw/zinc/18/92/69/736189269.db2.gz NUBGAMHPYLLIRO-KCQAQPDRSA-N -1 3 368.474 2.845 20 30 FFEDHM O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N([O-])Cc1ccccc1Cl ZINC000904190136 736231887 /nfs/dbraw/zinc/23/18/87/736231887.db2.gz ICUWNDFEMBNHCF-NSHDSACASA-N -1 3 350.724 2.611 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCC3)C[C@H]2C)ccc1F ZINC000762535012 736834351 /nfs/dbraw/zinc/83/43/51/736834351.db2.gz HQVVZCCJWIRJLP-CYBMUJFWSA-N -1 3 366.458 2.695 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909094978 736883217 /nfs/dbraw/zinc/88/32/17/736883217.db2.gz QTBDGKALHXRYSL-BPUTZDHNSA-N -1 3 365.861 2.544 20 30 FFEDHM CC(C)(C)c1nn(-c2ccccc2Cl)cc1C=NN1CC(=O)[N-]C1=O ZINC000763359104 736930999 /nfs/dbraw/zinc/93/09/99/736930999.db2.gz JHQNVKXIAQQPGJ-UHFFFAOYSA-N -1 3 359.817 2.709 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910266117 737050260 /nfs/dbraw/zinc/05/02/60/737050260.db2.gz JZXXGDKZKCYGBZ-HOCLYGCPSA-N -1 3 368.836 2.750 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCO)c1cccs1 ZINC000768873442 737470564 /nfs/dbraw/zinc/47/05/64/737470564.db2.gz FVPPSCQQBNNOHU-OAHLLOKOSA-N -1 3 359.451 2.510 20 30 FFEDHM Cc1cc(Br)ccc1CN=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000769816827 737570144 /nfs/dbraw/zinc/57/01/44/737570144.db2.gz INYHLMGZTADUAO-UHFFFAOYSA-N -1 3 361.203 2.586 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCCCC)ccc1F ZINC000914456874 737579736 /nfs/dbraw/zinc/57/97/36/737579736.db2.gz FPDDTXWSDWYVGY-ZDUSSCGKSA-N -1 3 356.463 2.989 20 30 FFEDHM O=C1Nc2cc(OC(F)(F)F)ccc2C1=N[N-]c1cncc(Cl)n1 ZINC000915051184 737604047 /nfs/dbraw/zinc/60/40/47/737604047.db2.gz WWJVZFJUMKSRKA-UHFFFAOYSA-N -1 3 357.679 2.797 20 30 FFEDHM O=C1Nc2cc(OC(F)(F)F)ccc2C1=N[N-]c1ccc(Cl)nn1 ZINC000915049126 737604311 /nfs/dbraw/zinc/60/43/11/737604311.db2.gz QTLCPAPLCQBGBK-UHFFFAOYSA-N -1 3 357.679 2.797 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1C ZINC000917520807 737761998 /nfs/dbraw/zinc/76/19/98/737761998.db2.gz SYQWGRCZMPANBG-GFCCVEGCSA-N -1 3 351.193 2.997 20 30 FFEDHM O=[N+]([O-])c1ccc(Cl)c(C=N[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000920384220 737904377 /nfs/dbraw/zinc/90/43/77/737904377.db2.gz WYZWNWWWBIVMAO-UHFFFAOYSA-N -1 3 353.787 2.702 20 30 FFEDHM CCCS(=O)(=O)Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000920479077 737909217 /nfs/dbraw/zinc/90/92/17/737909217.db2.gz JUUNKMVUQHASKM-UHFFFAOYSA-N -1 3 350.396 2.706 20 30 FFEDHM C#CCOc1cccc(Cl)c1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000777432421 738289125 /nfs/dbraw/zinc/28/91/25/738289125.db2.gz CUMORMCZVCWLCE-UHFFFAOYSA-N -1 3 362.838 2.806 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000777818028 738322912 /nfs/dbraw/zinc/32/29/12/738322912.db2.gz CWCSVKCUBAGDPH-SNVBAGLBSA-N -1 3 368.846 2.920 20 30 FFEDHM COc1cc(C=NN[C@H](CO)c2ccccc2)cc(Br)c1[O-] ZINC000788456439 739246640 /nfs/dbraw/zinc/24/66/40/739246640.db2.gz VJMYSSJAPMXILU-CQSZACIVSA-N -1 3 365.227 2.820 20 30 FFEDHM Fc1cccnc1N=NCc1c(Br)n[n-]c1Br ZINC000793053740 739735388 /nfs/dbraw/zinc/73/53/88/739735388.db2.gz OTJPIVSWOZQBPB-UHFFFAOYSA-N -1 3 362.988 2.915 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc3occc3c2)cc1 ZINC000794898748 739940223 /nfs/dbraw/zinc/94/02/23/739940223.db2.gz BDEWZSOLWOTIQI-UHFFFAOYSA-N -1 3 359.363 2.795 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000806549980 741068819 /nfs/dbraw/zinc/06/88/19/741068819.db2.gz DZQHDHGDBOOUJO-HMBXTHQTSA-N -1 3 354.328 2.759 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(F)cc1 ZINC000812526977 741629795 /nfs/dbraw/zinc/62/97/95/741629795.db2.gz GEYFTMXHYPQKMR-ZDUSSCGKSA-N -1 3 367.423 2.635 20 30 FFEDHM CCn1nncc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000815907401 741971991 /nfs/dbraw/zinc/97/19/91/741971991.db2.gz ZVZIZLFHXQFHOB-NSHDSACASA-N -1 3 365.365 2.574 20 30 FFEDHM COc1cccc(S([O-])=CC(=O)OC[C@@H](C#N)Cc2cccs2)c1 ZINC000820447348 742506942 /nfs/dbraw/zinc/50/69/42/742506942.db2.gz WUDLDFOVBLZWBT-OZAJXLCCSA-N -1 3 363.460 2.790 20 30 FFEDHM O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000820471256 742508900 /nfs/dbraw/zinc/50/89/00/742508900.db2.gz QPBMNDCRABPZGN-UXONFWTHSA-N -1 3 362.735 2.868 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000820477063 742509751 /nfs/dbraw/zinc/50/97/51/742509751.db2.gz TURFEWNPPJRURF-CYBMUJFWSA-N -1 3 359.451 2.528 20 30 FFEDHM O=[N+]([O-])c1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000823635208 742952070 /nfs/dbraw/zinc/95/20/70/742952070.db2.gz TXXITVMFYVQGHL-UHFFFAOYSA-N -1 3 357.761 2.552 20 30 FFEDHM O=[N+]([O-])c1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000823635208 742952081 /nfs/dbraw/zinc/95/20/81/742952081.db2.gz TXXITVMFYVQGHL-UHFFFAOYSA-N -1 3 357.761 2.552 20 30 FFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC2(CC#N)CC2)CCCCC1 ZINC000830919187 745450502 /nfs/dbraw/zinc/45/05/02/745450502.db2.gz WKNXLRNEZWUXQX-UHFFFAOYSA-N -1 3 356.488 2.644 20 30 FFEDHM C[C@@]1(CC[N-]S(=O)(=O)c2cccc(F)c2C#N)CC1(Cl)Cl ZINC000832365894 745684516 /nfs/dbraw/zinc/68/45/16/745684516.db2.gz WVYSFLXUHJOVIB-GFCCVEGCSA-N -1 3 351.230 2.950 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1nn(C)cc1C ZINC000842290155 747563832 /nfs/dbraw/zinc/56/38/32/747563832.db2.gz VDRRJPFYWRRQDZ-LLVKDONJSA-N -1 3 360.801 2.660 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(Cl)ccc1O ZINC000846478699 748489562 /nfs/dbraw/zinc/48/95/62/748489562.db2.gz DOSLHVKTMDUGLM-UHFFFAOYSA-N -1 3 359.813 2.884 20 30 FFEDHM Cc1cc(C(C)(C)C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Br ZINC000848133389 748850065 /nfs/dbraw/zinc/85/00/65/748850065.db2.gz YHPTUVDLRCFEJR-CYBMUJFWSA-N -1 3 369.259 2.532 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1 ZINC000848693885 748987019 /nfs/dbraw/zinc/98/70/19/748987019.db2.gz SQHSLYODZHKSMN-AWEZNQCLSA-N -1 3 368.430 2.672 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000848695191 748987926 /nfs/dbraw/zinc/98/79/26/748987926.db2.gz WYEQOSMTFIPGPR-PIGZYNQJSA-N -1 3 368.430 2.672 20 30 FFEDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000851821947 749689112 /nfs/dbraw/zinc/68/91/12/749689112.db2.gz DCXUISHFYRSOFL-ROUUACIJSA-N -1 3 362.426 2.734 20 30 FFEDHM COC(=O)CCCC[C@@H](C)C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821660488 945784293 /nfs/dbraw/zinc/78/42/93/945784293.db2.gz TWLFKFGZSVFMPU-CYBMUJFWSA-N -1 3 358.446 2.702 20 30 FFEDHM COC(=O)CCCC[C@@H](C)C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821660488 945784300 /nfs/dbraw/zinc/78/43/00/945784300.db2.gz TWLFKFGZSVFMPU-CYBMUJFWSA-N -1 3 358.446 2.702 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1ccccn1 ZINC000822016339 945920942 /nfs/dbraw/zinc/92/09/42/945920942.db2.gz XURBGIKNGFHGBV-AATRIKPKSA-N -1 3 363.406 2.713 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1-c1ccccn1 ZINC000822016339 945920958 /nfs/dbraw/zinc/92/09/58/945920958.db2.gz XURBGIKNGFHGBV-AATRIKPKSA-N -1 3 363.406 2.713 20 30 FFEDHM C#CCCCCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823837881 946488922 /nfs/dbraw/zinc/48/89/22/946488922.db2.gz IGBXWZYVZKVLNX-UHFFFAOYSA-N -1 3 369.816 2.838 20 30 FFEDHM C=CCc1cc(CNc2nccc(C)c2-c2nnn[n-]2)cc(OC)c1OC ZINC000823937113 946520269 /nfs/dbraw/zinc/52/02/69/946520269.db2.gz IKTFIRYNXKZBHA-UHFFFAOYSA-N -1 3 366.425 2.928 20 30 FFEDHM C=CCc1cc(CNc2nccc(C)c2-c2nn[n-]n2)cc(OC)c1OC ZINC000823937113 946520279 /nfs/dbraw/zinc/52/02/79/946520279.db2.gz IKTFIRYNXKZBHA-UHFFFAOYSA-N -1 3 366.425 2.928 20 30 FFEDHM CC#CCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823936969 946521880 /nfs/dbraw/zinc/52/18/80/946521880.db2.gz BQZSBYLDGFMXGM-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM CC#CCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823936969 946521884 /nfs/dbraw/zinc/52/18/84/946521884.db2.gz BQZSBYLDGFMXGM-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000823999643 946538270 /nfs/dbraw/zinc/53/82/70/946538270.db2.gz FUQPWTIVXYSEEO-WTKPLQERSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000823999643 946538279 /nfs/dbraw/zinc/53/82/79/946538279.db2.gz FUQPWTIVXYSEEO-WTKPLQERSA-N -1 3 351.341 2.860 20 30 FFEDHM C#CCCOc1ccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573283740 946725573 /nfs/dbraw/zinc/72/55/73/946725573.db2.gz XGNVCZNMPTWOEA-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM C#CCCOc1ccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573283740 946725581 /nfs/dbraw/zinc/72/55/81/946725581.db2.gz XGNVCZNMPTWOEA-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C=Cc1ccccc1C#N ZINC001573551291 946872284 /nfs/dbraw/zinc/87/22/84/946872284.db2.gz ILTALZAASFBESS-VQHVLOKHSA-N -1 3 358.361 2.593 20 30 FFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C=Cc1ccccc1C#N ZINC001573551291 946872293 /nfs/dbraw/zinc/87/22/93/946872293.db2.gz ILTALZAASFBESS-VQHVLOKHSA-N -1 3 358.361 2.593 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001573553464 946887173 /nfs/dbraw/zinc/88/71/73/946887173.db2.gz FZQUQEISCZFEPG-VQHVLOKHSA-N -1 3 358.361 2.593 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001573553464 946887187 /nfs/dbraw/zinc/88/71/87/946887187.db2.gz FZQUQEISCZFEPG-VQHVLOKHSA-N -1 3 358.361 2.593 20 30 FFEDHM C#Cc1cncc(C(=O)Nc2scc(C(C)(C)C)c2-c2nnn[n-]2)c1 ZINC001573292698 946937634 /nfs/dbraw/zinc/93/76/34/946937634.db2.gz ZROQJUKCWVJNPK-UHFFFAOYSA-N -1 3 352.423 2.854 20 30 FFEDHM C#Cc1cncc(C(=O)Nc2scc(C(C)(C)C)c2-c2nn[n-]n2)c1 ZINC001573292698 946937640 /nfs/dbraw/zinc/93/76/40/946937640.db2.gz ZROQJUKCWVJNPK-UHFFFAOYSA-N -1 3 352.423 2.854 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C1CC1 ZINC001573293577 946959655 /nfs/dbraw/zinc/95/96/55/946959655.db2.gz BNCRIDLIUANIKV-UHFFFAOYSA-N -1 3 350.430 2.863 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C1CC1 ZINC001573293577 946959668 /nfs/dbraw/zinc/95/96/68/946959668.db2.gz BNCRIDLIUANIKV-UHFFFAOYSA-N -1 3 350.430 2.863 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573304849 947143825 /nfs/dbraw/zinc/14/38/25/947143825.db2.gz HUOIKNOURUCNBX-UONOGXRCSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573304849 947143832 /nfs/dbraw/zinc/14/38/32/947143832.db2.gz HUOIKNOURUCNBX-UONOGXRCSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001573325793 947363868 /nfs/dbraw/zinc/36/38/68/947363868.db2.gz GZFDVCXEBOJBDL-OAHLLOKOSA-N -1 3 351.385 2.923 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001573325793 947363879 /nfs/dbraw/zinc/36/38/79/947363879.db2.gz GZFDVCXEBOJBDL-OAHLLOKOSA-N -1 3 351.385 2.923 20 30 FFEDHM C=CCCSCCNC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001573340815 947521837 /nfs/dbraw/zinc/52/18/37/947521837.db2.gz AUOMYISQNFVTOG-UHFFFAOYSA-N -1 3 370.438 2.561 20 30 FFEDHM C=CCCSCCNC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001573340815 947521847 /nfs/dbraw/zinc/52/18/47/947521847.db2.gz AUOMYISQNFVTOG-UHFFFAOYSA-N -1 3 370.438 2.561 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC000826385711 948187619 /nfs/dbraw/zinc/18/76/19/948187619.db2.gz XQESFBFUJCRCKZ-UHFFFAOYSA-N -1 3 357.377 2.791 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC000826385711 948187631 /nfs/dbraw/zinc/18/76/31/948187631.db2.gz XQESFBFUJCRCKZ-UHFFFAOYSA-N -1 3 357.377 2.791 20 30 FFEDHM C[C@H](CC#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001574473231 949562424 /nfs/dbraw/zinc/56/24/24/949562424.db2.gz YVTUKJFUOLJJMO-CYBMUJFWSA-N -1 3 362.393 2.934 20 30 FFEDHM C[C@H](CC#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001574473231 949562439 /nfs/dbraw/zinc/56/24/39/949562439.db2.gz YVTUKJFUOLJJMO-CYBMUJFWSA-N -1 3 362.393 2.934 20 30 FFEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)cc1 ZINC000134161991 962388791 /nfs/dbraw/zinc/38/87/91/962388791.db2.gz FSYQEVKGRLYAHN-CQSZACIVSA-N -1 3 371.343 2.628 20 30 FFEDHM CCc1nc(C(=O)[N-]c2snc(C)c2C#N)nn1-c1ccccc1F ZINC001270192304 964783088 /nfs/dbraw/zinc/78/30/88/964783088.db2.gz XZCUILDXAOYGSH-UHFFFAOYSA-N -1 3 356.386 2.858 20 30 FFEDHM CCCCCCCCC(=O)N1Cc2[nH]nc(C(=O)[N-]c3nnco3)c2C1 ZINC001270905390 967715312 /nfs/dbraw/zinc/71/53/12/967715312.db2.gz ZBDIWPGGZVMIMD-UHFFFAOYSA-N -1 3 360.418 2.638 20 30 FFEDHM CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000924624892 975469462 /nfs/dbraw/zinc/46/94/62/975469462.db2.gz YIMUBWHSSLNXCV-KRWDZBQOSA-N -1 3 373.478 2.755 20 30 FFEDHM CC(C)(C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1C1CC1 ZINC000126341778 1014475028 /nfs/dbraw/zinc/47/50/28/1014475028.db2.gz XDAGVEIBNQILLK-CYBMUJFWSA-N -1 3 351.410 2.872 20 30 FFEDHM N#CCCCN1CC[C@]2(CCCN2C(=O)c2cc([O-])ccc2Cl)C1=O ZINC001271915037 979265228 /nfs/dbraw/zinc/26/52/28/979265228.db2.gz LQKOULTUFKZPSI-GOSISDBHSA-N -1 3 361.829 2.556 20 30 FFEDHM C=CCN1CC[C@@]2(CCN(C(=O)c3cc(C(C)(C)C)ccc3[O-])C2)C1=O ZINC001271971025 979378094 /nfs/dbraw/zinc/37/80/94/979378094.db2.gz QTABVERXTAWUSA-NRFANRHFSA-N -1 3 356.466 2.940 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000909067405 981615033 /nfs/dbraw/zinc/61/50/33/981615033.db2.gz LRWIODKXASUMQS-SZMVWBNQSA-N -1 3 359.470 2.616 20 30 FFEDHM COCCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccc(C#N)cc1 ZINC000878010586 1014809842 /nfs/dbraw/zinc/80/98/42/1014809842.db2.gz LLXYCVIHVBRRON-UHFFFAOYSA-N -1 3 364.405 2.962 20 30 FFEDHM Cc1cn2ccnc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2n1 ZINC000763933884 983948962 /nfs/dbraw/zinc/94/89/62/983948962.db2.gz XHTXQGJAZQZQJQ-LLVKDONJSA-N -1 3 371.759 2.791 20 30 FFEDHM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nnc2n1CCCCC2 ZINC000060851275 985045488 /nfs/dbraw/zinc/04/54/88/985045488.db2.gz FSHUHUUSQUZMME-HZRUHFOJSA-N -1 3 350.378 2.623 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000063961919 986201537 /nfs/dbraw/zinc/20/15/37/986201537.db2.gz HVBCCMPFWAEVKY-UHFFFAOYSA-N -1 3 373.409 2.699 20 30 FFEDHM CCN1CCN(c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)CC1 ZINC000785454247 986957375 /nfs/dbraw/zinc/95/73/75/986957375.db2.gz RHDLSLMKELIHHE-UHFFFAOYSA-N -1 3 350.422 2.658 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2c(Cl)nc3ccccn32)cc1 ZINC000131755110 987193489 /nfs/dbraw/zinc/19/34/89/987193489.db2.gz RBRIJBXXOUURDG-ZDUSSCGKSA-N -1 3 368.780 2.957 20 30 FFEDHM COc1cc(C(=O)/C=C\c2ccccc2-n2cncn2)c(OC)cc1[O-] ZINC000763106897 989040040 /nfs/dbraw/zinc/04/00/40/989040040.db2.gz RVDIGPLKPRHFJP-FPLPWBNLSA-N -1 3 351.362 2.886 20 30 FFEDHM CCCc1c(NC(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccccc1C ZINC000879374430 1015503295 /nfs/dbraw/zinc/50/32/95/1015503295.db2.gz FCJHGMZSGIDOQK-AWEZNQCLSA-N -1 3 371.441 2.635 20 30 FFEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OCC ZINC000917509180 990233772 /nfs/dbraw/zinc/23/37/72/990233772.db2.gz MMONWBBQGBNMPD-CQSZACIVSA-N -1 3 353.378 2.840 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OC(F)F ZINC000917509972 990234972 /nfs/dbraw/zinc/23/49/72/990234972.db2.gz XIQWWYQJQMESEN-LLVKDONJSA-N -1 3 361.304 2.653 20 30 FFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC001593196487 994154642 /nfs/dbraw/zinc/15/46/42/994154642.db2.gz UVIKNEFNWZDOBE-SCLBCKFNSA-N -1 3 365.389 2.991 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCO3)cc1 ZINC000810531536 994814360 /nfs/dbraw/zinc/81/43/60/994814360.db2.gz MVPBQVORAPLWOX-OAHLLOKOSA-N -1 3 352.394 2.579 20 30 FFEDHM CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811183918 995050583 /nfs/dbraw/zinc/05/05/83/995050583.db2.gz AXEKGXFQNIIURZ-AWEZNQCLSA-N -1 3 352.390 2.858 20 30 FFEDHM CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186937 995052652 /nfs/dbraw/zinc/05/26/52/995052652.db2.gz DOUJGQFTUHEIKW-CYBMUJFWSA-N -1 3 352.390 2.860 20 30 FFEDHM C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000812747767 995523527 /nfs/dbraw/zinc/52/35/27/995523527.db2.gz HMDCREHTNXNMBD-ROUUACIJSA-N -1 3 366.392 2.627 20 30 FFEDHM C#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000812747766 995523579 /nfs/dbraw/zinc/52/35/79/995523579.db2.gz HMDCREHTNXNMBD-QZTJIDSGSA-N -1 3 366.392 2.627 20 30 FFEDHM C=CCOCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000679474314 1016071650 /nfs/dbraw/zinc/07/16/50/1016071650.db2.gz HIDJIKUTUXKOCP-UHFFFAOYSA-N -1 3 354.653 2.583 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cncc([O-])c2)cc1 ZINC000732393760 998651147 /nfs/dbraw/zinc/65/11/47/998651147.db2.gz SVMZCXMOUZSAPW-CQSZACIVSA-N -1 3 353.378 2.588 20 30 FFEDHM N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])c1 ZINC001085178596 999073194 /nfs/dbraw/zinc/07/31/94/999073194.db2.gz KZPALJWQXPYBEM-IAGOWNOFSA-N -1 3 368.412 2.629 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C2CCC(NC(=O)OC(C)(C)C)CC2)c1[O-] ZINC000739426527 999647001 /nfs/dbraw/zinc/64/70/01/999647001.db2.gz MVVRPOYDGQLKQP-FBHDLOMBSA-N -1 3 363.458 2.843 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000103053236 1000019523 /nfs/dbraw/zinc/01/95/23/1000019523.db2.gz NMQNGJOFMDUAGQ-UHFFFAOYSA-N -1 3 355.413 2.987 20 30 FFEDHM N#Cc1cccc(O[N-]C(=O)CCSc2ccc3c(c2)OCCO3)c1 ZINC001171255386 1000456297 /nfs/dbraw/zinc/45/62/97/1000456297.db2.gz JAUXLFGDVHWFAM-UHFFFAOYSA-N -1 3 356.403 2.922 20 30 FFEDHM Cn1ncc2c1nc(N=NCc1cccc(OC3CCCC3)c1)[n-]c2=O ZINC000769816785 1000597965 /nfs/dbraw/zinc/59/79/65/1000597965.db2.gz HFOZRXJVUMVIIR-UHFFFAOYSA-N -1 3 352.398 2.836 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1c[nH]c3ncccc13)[n-]c2=O ZINC000769807442 1000607516 /nfs/dbraw/zinc/60/75/16/1000607516.db2.gz MMJDWBPIRHYZAB-UHFFFAOYSA-N -1 3 350.386 2.609 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NC1CCc3c1cccc3O)[n-]c2=O ZINC000769811002 1000610221 /nfs/dbraw/zinc/61/02/21/1000610221.db2.gz XALOKFQGKJCAGB-UHFFFAOYSA-N -1 3 352.398 2.755 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109634113 1000734362 /nfs/dbraw/zinc/73/43/62/1000734362.db2.gz CWORKQDHAHUGER-ZSGPHXLJSA-N -1 3 370.497 2.883 20 30 FFEDHM C[C@@H](C(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC001182792440 1002039311 /nfs/dbraw/zinc/03/93/11/1002039311.db2.gz FHOPTDHPAPKJKS-CJNGLKHVSA-N -1 3 371.437 2.704 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](C)CSC(C)=O)c(C)c1[O-] ZINC001183132202 1002159696 /nfs/dbraw/zinc/15/96/96/1002159696.db2.gz JFTQWSQVJVRWHU-SECBINFHSA-N -1 3 364.423 2.603 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000747032350 1002768826 /nfs/dbraw/zinc/76/88/26/1002768826.db2.gz FCNVZXQVYQIRCY-FAXWQTKOSA-N -1 3 370.327 2.639 20 30 FFEDHM C#C[C@H](CCC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000791739335 1002796786 /nfs/dbraw/zinc/79/67/86/1002796786.db2.gz BMQOVBCDQDQKRQ-CYBMUJFWSA-N -1 3 371.462 2.870 20 30 FFEDHM N#Cc1c(F)cccc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001054862161 1016675860 /nfs/dbraw/zinc/67/58/60/1016675860.db2.gz YFLQTAXRVRVDKU-PUECVXPYSA-N -1 3 351.381 2.943 20 30 FFEDHM CC(=O)N/C(=C/c1cc(F)ccc1F)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001185733788 1003045142 /nfs/dbraw/zinc/04/51/42/1003045142.db2.gz SNHUAAUVXFWKNR-LZYBPNLTSA-N -1 3 357.316 2.658 20 30 FFEDHM C[C@](C#N)([N-]S(=O)(=O)c1ccc2n[nH]cc2c1)c1ccccc1Cl ZINC001186024366 1003162033 /nfs/dbraw/zinc/16/20/33/1003162033.db2.gz JRGKEFZQTBABFL-MRXNPFEDSA-N -1 3 360.826 2.934 20 30 FFEDHM C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001186853444 1003440974 /nfs/dbraw/zinc/44/09/74/1003440974.db2.gz CSXPCYVYJRPASR-HTQZYQBOSA-N -1 3 351.819 2.844 20 30 FFEDHM N#C[C@@H]1CCCCN1C(=O)c1cc([O-])cc(I)c1 ZINC001196408862 1003770486 /nfs/dbraw/zinc/77/04/86/1003770486.db2.gz KOYXRVRHKHALBA-NSHDSACASA-N -1 3 356.163 2.515 20 30 FFEDHM CC(C)n1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1=O ZINC001196711359 1003922954 /nfs/dbraw/zinc/92/29/54/1003922954.db2.gz KKTGEFIXUUPFFK-UHFFFAOYSA-N -1 3 351.815 2.755 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(C#N)c1 ZINC001192440174 1004170215 /nfs/dbraw/zinc/17/02/15/1004170215.db2.gz FRHRWFGLJDLZGO-UHFFFAOYSA-N -1 3 370.390 2.552 20 30 FFEDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)c1 ZINC001193434551 1004486280 /nfs/dbraw/zinc/48/62/80/1004486280.db2.gz BJGRVDFQKZAKCB-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2cc(F)cc(Br)c2)c1 ZINC001193823600 1004591534 /nfs/dbraw/zinc/59/15/34/1004591534.db2.gz XDXIZAWWNDIHDG-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(C#CBr)cc1 ZINC001194813191 1004821847 /nfs/dbraw/zinc/82/18/47/1004821847.db2.gz SFFLKMJHHJEVLV-UHFFFAOYSA-N -1 3 368.194 2.823 20 30 FFEDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(C#CBr)cc1 ZINC001194813191 1004821849 /nfs/dbraw/zinc/82/18/49/1004821849.db2.gz SFFLKMJHHJEVLV-UHFFFAOYSA-N -1 3 368.194 2.823 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000816696864 1007168887 /nfs/dbraw/zinc/16/88/87/1007168887.db2.gz KLJLXBOHVVGLGX-GFCCVEGCSA-N -1 3 369.402 2.790 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCOc2cccc3ccoc32)c1 ZINC001190682011 1007747584 /nfs/dbraw/zinc/74/75/84/1007747584.db2.gz SBNRKYPOQXZQQF-UHFFFAOYSA-N -1 3 360.366 2.801 20 30 FFEDHM COc1cc(F)c(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)c1 ZINC001190989077 1007862902 /nfs/dbraw/zinc/86/29/02/1007862902.db2.gz RMSYTTNDSSBBHK-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM Cc1[nH]nc([N-]C(=O)c2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1C#N ZINC000857191294 1008087509 /nfs/dbraw/zinc/08/75/09/1008087509.db2.gz LLLFYCMXVIQJIW-UHFFFAOYSA-N -1 3 374.401 2.590 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3c(C)noc3C3CC3)sc2C1 ZINC000857678644 1008189781 /nfs/dbraw/zinc/18/97/81/1008189781.db2.gz JPEPMUPGFRHAIA-UHFFFAOYSA-N -1 3 370.434 2.951 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000820477480 1008339817 /nfs/dbraw/zinc/33/98/17/1008339817.db2.gz ZHLZFIGNIDQVQX-OAHLLOKOSA-N -1 3 351.362 2.605 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)NCc3cc(=O)[n-]c(C4CC4)n3)on2)c1 ZINC001177649395 1008708683 /nfs/dbraw/zinc/70/86/83/1008708683.db2.gz KFUVARYKFAMCLN-UHFFFAOYSA-N -1 3 361.361 2.516 20 30 FFEDHM C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1c([O-])cccc1F ZINC000886598474 1008762726 /nfs/dbraw/zinc/76/27/26/1008762726.db2.gz BJPIXBRHHNPLQR-DYVFJYSZSA-N -1 3 353.397 2.855 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@]23c2ccccc2N(CC2CC2)C3=O)ccc1[O-] ZINC001179726566 1009425495 /nfs/dbraw/zinc/42/54/95/1009425495.db2.gz JJMXZTWFBZXOCT-VGSWGCGISA-N -1 3 373.412 2.917 20 30 FFEDHM C[C@]1(C#N)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC000887681392 1009451437 /nfs/dbraw/zinc/45/14/37/1009451437.db2.gz ZJFRIRGXBYPZEA-NRFANRHFSA-N -1 3 350.418 2.932 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CC3CC3)c2)cc1Cl ZINC000870142246 1012193287 /nfs/dbraw/zinc/19/32/87/1012193287.db2.gz HLHPDEBMSQUPDS-CQSZACIVSA-N -1 3 372.812 2.916 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110932919 1018705849 /nfs/dbraw/zinc/70/58/49/1018705849.db2.gz CWORKQDHAHUGER-LIRZEXBASA-N -1 3 370.497 2.883 20 30 FFEDHM COc1ccc(-n2nnc(C(=O)N([O-])Cc3ccc(F)cc3)c2C)cc1 ZINC000901375405 1019016093 /nfs/dbraw/zinc/01/60/93/1019016093.db2.gz HDXPOPYIJFLZLU-UHFFFAOYSA-N -1 3 356.357 2.755 20 30 FFEDHM CCOC(=O)c1cnc([N-]N=Cc2cc3ccccc3[nH]c2=O)nc1C ZINC000777891043 1019999548 /nfs/dbraw/zinc/99/95/48/1019999548.db2.gz JXEZFXPDILQURF-UHFFFAOYSA-N -1 3 351.366 2.662 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000935713927 1021837342 /nfs/dbraw/zinc/83/73/42/1021837342.db2.gz BVCKKQQIALMIND-ZDUSSCGKSA-N -1 3 356.426 2.867 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000935713927 1021837357 /nfs/dbraw/zinc/83/73/57/1021837357.db2.gz BVCKKQQIALMIND-ZDUSSCGKSA-N -1 3 356.426 2.867 20 30 FFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(F)cc(C#N)c2)C2CC2)s1 ZINC001118932488 1022480193 /nfs/dbraw/zinc/48/01/93/1022480193.db2.gz YAVBOYYQLKRYLC-AWEZNQCLSA-N -1 3 351.428 2.892 20 30 FFEDHM S=c1[n-]c2ccccc2nc1NN=Cc1cn(C[C@@H]2CCCO2)nn1 ZINC001119010505 1022522684 /nfs/dbraw/zinc/52/26/84/1022522684.db2.gz KTHPZKOYMWCJNG-LBPRGKRZSA-N -1 3 355.427 2.509 20 30 FFEDHM C#Cc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000048246270 1022674768 /nfs/dbraw/zinc/67/47/68/1022674768.db2.gz MKTXPHCGFQGIAQ-UHFFFAOYSA-N -1 3 372.446 2.836 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3cncn3c2C)n1 ZINC001122414449 1023253637 /nfs/dbraw/zinc/25/36/37/1023253637.db2.gz DYLPWDFAVWWZJJ-ZDUSSCGKSA-N -1 3 354.391 2.766 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)[C@H]1C[C@H](OC)C12CCC2 ZINC001122496473 1023305340 /nfs/dbraw/zinc/30/53/40/1023305340.db2.gz WQXBATQPMGNBKY-KBPBESRZSA-N -1 3 359.430 2.609 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3snc(Cl)c3C#N)C2)n1 ZINC001120958389 1023543456 /nfs/dbraw/zinc/54/34/56/1023543456.db2.gz QPEIIGGVEZDJFL-VIFPVBQESA-N -1 3 350.835 2.553 20 30 FFEDHM Cc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)c(OC[C@@H]2CCOC2)c1 ZINC000755030785 1023557495 /nfs/dbraw/zinc/55/74/95/1023557495.db2.gz CZFPRWZKTXGSBW-YJCKXXIQSA-N -1 3 370.449 2.931 20 30 FFEDHM COc1cccc(OCC2N=NC(=S)N2N=Cc2ccc([O-])c(F)c2)c1 ZINC000755606441 1023614204 /nfs/dbraw/zinc/61/42/04/1023614204.db2.gz INJDNDMZHQPJFX-UHFFFAOYSA-N -1 3 374.397 2.881 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)CCCOCc1ccccc1 ZINC001121546723 1023841774 /nfs/dbraw/zinc/84/17/74/1023841774.db2.gz VEPNZLOPVLBQDJ-UHFFFAOYSA-N -1 3 369.425 2.868 20 30 FFEDHM C#CC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000757925649 1023885390 /nfs/dbraw/zinc/88/53/90/1023885390.db2.gz PWOAJCBGQPJXGY-SFHVURJKSA-N -1 3 350.418 2.701 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001121652368 1023905361 /nfs/dbraw/zinc/90/53/61/1023905361.db2.gz MARGSRYIJVAEFB-DJJJIMSYSA-N -1 3 364.409 2.735 20 30 FFEDHM C=C[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001123789019 1024028133 /nfs/dbraw/zinc/02/81/33/1024028133.db2.gz XJYKTKOAAWTKEF-ZFWWWQNUSA-N -1 3 354.372 2.873 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)(C)C)n1 ZINC000193471509 1024534902 /nfs/dbraw/zinc/53/49/02/1024534902.db2.gz VWPPXTPJBHEXJB-CYBMUJFWSA-N -1 3 354.410 2.916 20 30 FFEDHM CC(C)(C)c1ccc(OCC(=O)N[C@H]2CCN([O-])C2=O)c(C(C)(C)C)c1 ZINC001159324285 1027353798 /nfs/dbraw/zinc/35/37/98/1027353798.db2.gz GTQGVUNXCPZMHP-HNNXBMFYSA-N -1 3 362.470 2.767 20 30 FFEDHM O=C(CCc1cccc(OCc2ccccc2)c1)N[C@H]1CCCN([O-])C1=O ZINC001159641211 1027452796 /nfs/dbraw/zinc/45/27/96/1027452796.db2.gz GXKLYGJPMVPOTP-IBGZPJMESA-N -1 3 368.433 2.695 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCCN2CCC(F)(F)CC2)n1 ZINC001160747340 1027852103 /nfs/dbraw/zinc/85/21/03/1027852103.db2.gz IDGBHVPLQRCCNG-QGMBQPNBSA-N -1 3 365.837 2.803 20 30 FFEDHM O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N([O-])Cc1ccccc1Cl ZINC001161802474 1028320006 /nfs/dbraw/zinc/32/00/06/1028320006.db2.gz XRKVDYHSYNJCPB-HNNXBMFYSA-N -1 3 365.861 2.986 20 30 FFEDHM O=C(NCC(=O)N([O-])CCCCc1ccccc1)c1ccc(F)c(F)c1 ZINC001161807245 1028321216 /nfs/dbraw/zinc/32/12/16/1028321216.db2.gz GFYNRJASGRORKI-UHFFFAOYSA-N -1 3 362.376 2.935 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC001161826535 1028327374 /nfs/dbraw/zinc/32/73/74/1028327374.db2.gz DYNNYANVGQTVRR-ZSBFGKGUSA-N -1 3 353.463 2.531 20 30 FFEDHM CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001161842956 1028331836 /nfs/dbraw/zinc/33/18/36/1028331836.db2.gz VGNLMCPRMXJFAJ-OAHLLOKOSA-N -1 3 368.405 2.570 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3cccnn3c2)c(C)c1[O-] ZINC001154587341 1028365753 /nfs/dbraw/zinc/36/57/53/1028365753.db2.gz YXRYFFAMMSHSOO-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC[C@H]2C(=O)Nc3ccccc32)n1 ZINC001162611624 1028597770 /nfs/dbraw/zinc/59/77/70/1028597770.db2.gz ZUIUFRBEEAZVCK-NKXMEUTISA-N -1 3 363.830 2.808 20 30 FFEDHM CN(C)C(=O)c1cncc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001163769006 1029054545 /nfs/dbraw/zinc/05/45/45/1029054545.db2.gz KJXCCRQBOQNPSH-UHFFFAOYSA-N -1 3 368.315 2.930 20 30 FFEDHM N#Cc1ccccc1Oc1nc(Cl)ncc1NCCCc1c[n-][nH]c1=O ZINC001156285000 1029126240 /nfs/dbraw/zinc/12/62/40/1029126240.db2.gz BQAPZYCNDSWQJQ-GFCCVEGCSA-N -1 3 370.800 2.718 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000782550788 1029742832 /nfs/dbraw/zinc/74/28/32/1029742832.db2.gz YQLCKIGJOFQXAG-UHFFFAOYSA-N -1 3 373.340 2.999 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nnn(C(C)C)c1C ZINC000796744350 1030902511 /nfs/dbraw/zinc/90/25/11/1030902511.db2.gz INCFKVNZMFTQJF-CYBMUJFWSA-N -1 3 355.398 2.527 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2ccc(N)cc2)c(C)c1[O-] ZINC001218934775 1033414543 /nfs/dbraw/zinc/41/45/43/1033414543.db2.gz LYEXBHKHANVCQC-UHFFFAOYSA-N -1 3 353.378 2.512 20 30 FFEDHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)OC3=C(C)O[C@H](C)C3=O)nc21 ZINC001223404066 1033430428 /nfs/dbraw/zinc/43/04/28/1033430428.db2.gz QDTJJRRUNYJFOK-QZTNRIJFSA-N -1 3 368.748 2.904 20 30 FFEDHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)O/C(=N\[O-])c1ccccn1 ZINC001223978627 1033670243 /nfs/dbraw/zinc/67/02/43/1033670243.db2.gz WCQSJQUBWFFUSQ-WONVFNJSSA-N -1 3 350.415 2.556 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC2(F)F)[n-]1 ZINC001225470629 1034266500 /nfs/dbraw/zinc/26/65/00/1034266500.db2.gz XONSHAQZMSLIAB-LBPRGKRZSA-N -1 3 355.341 2.601 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC001225470650 1034267384 /nfs/dbraw/zinc/26/73/84/1034267384.db2.gz XWIVSLVGUMUDRB-KXBFYZLASA-N -1 3 353.422 2.636 20 30 FFEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001226260822 1034599742 /nfs/dbraw/zinc/59/97/42/1034599742.db2.gz FOIRMYKCUZWBGI-OAHLLOKOSA-N -1 3 374.469 2.541 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C[C@H]1C#N ZINC001226598632 1034753507 /nfs/dbraw/zinc/75/35/07/1034753507.db2.gz FSYASMATTDYJHA-QWHCGFSZSA-N -1 3 372.377 2.779 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001221760376 1035045130 /nfs/dbraw/zinc/04/51/30/1035045130.db2.gz DQNQARAHNBVIOD-QGPMSJSTSA-N -1 3 370.497 2.695 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccnn2C(F)F)C1=O ZINC000834784874 1035449794 /nfs/dbraw/zinc/44/97/94/1035449794.db2.gz ANOSAMTYSCYQBZ-INIZCTEOSA-N -1 3 371.388 2.594 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccnn2C(F)F)C1=O ZINC000834784875 1035450091 /nfs/dbraw/zinc/45/00/91/1035450091.db2.gz ANOSAMTYSCYQBZ-MRXNPFEDSA-N -1 3 371.388 2.594 20 30 FFEDHM N#Cc1ccc([O-])c(OC[C@@H]2OCCc3cn(Cc4ccncc4)nc32)c1 ZINC001227347004 1035515282 /nfs/dbraw/zinc/51/52/82/1035515282.db2.gz YZMOFRNANOXHGF-IBGZPJMESA-N -1 3 362.389 2.596 20 30 FFEDHM C=CCN1C(=O)CCC[C@@]12CCCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001140500509 1035515642 /nfs/dbraw/zinc/51/56/42/1035515642.db2.gz CBRJBKITVFIEML-FQEVSTJZSA-N -1 3 359.470 2.863 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820561 1035754197 /nfs/dbraw/zinc/75/41/97/1035754197.db2.gz WXADXVUARFFCSD-AWEZNQCLSA-N -1 3 364.398 2.518 20 30 FFEDHM COCCOc1ccccc1N1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232681860 1035938901 /nfs/dbraw/zinc/93/89/01/1035938901.db2.gz WUONTZZOVNXGOZ-UHFFFAOYSA-N -1 3 367.449 2.611 20 30 FFEDHM C#CCN1CC[C@]2(CCCN2Cc2cc(Cl)c(Cl)cc2[O-])C1=O ZINC001277829910 1036908533 /nfs/dbraw/zinc/90/85/33/1036908533.db2.gz KMJOEIVASFRTAT-QGZVFWFLSA-N -1 3 353.249 2.899 20 30 FFEDHM C#C[C@@H](Oc1nc(C(=O)c2ccc(SC)cc2)c(C)[n-]1)C(=O)OCC ZINC001230136326 1037115913 /nfs/dbraw/zinc/11/59/13/1037115913.db2.gz DTBZMTXQUUSMBT-CQSZACIVSA-N -1 3 358.419 2.615 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001207165418 1037214607 /nfs/dbraw/zinc/21/46/07/1037214607.db2.gz MZTBDYIRMWYGJU-CZUORRHYSA-N -1 3 358.486 2.598 20 30 FFEDHM CCN1CC[C@H](Oc2c(C#N)c(C#N)c([O-])c3cccc([N+](=O)[O-])c32)C1 ZINC001231228508 1037504836 /nfs/dbraw/zinc/50/48/36/1037504836.db2.gz RWTRIHGBWQQDRW-NSHDSACASA-N -1 3 352.350 2.670 20 30 FFEDHM N#Cc1ccc([O-])c(CN2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)c1 ZINC001278895709 1038246082 /nfs/dbraw/zinc/24/60/82/1038246082.db2.gz ZQUXTQDGGTZGFO-UHFFFAOYSA-N -1 3 367.474 2.602 20 30 FFEDHM Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2cccc([O-])c2Cl)cc1C#N ZINC001278910704 1038381872 /nfs/dbraw/zinc/38/18/72/1038381872.db2.gz NVLMZOFHFOXPMY-CALCHBBNSA-N -1 3 356.857 2.714 20 30 FFEDHM COc1cccc(N2CCC(/N=C/c3c([O-])c(C)ncc3CO)CC2)c1 ZINC001251326538 1039070134 /nfs/dbraw/zinc/07/01/34/1039070134.db2.gz XXWBBHIAXWFPFT-WSDLNYQXSA-N -1 3 355.438 2.684 20 30 FFEDHM C=C[C@@H]1C[C@]1([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OCC ZINC001258897428 1039569868 /nfs/dbraw/zinc/56/98/68/1039569868.db2.gz KLGGUZFZPYXRST-YMTOWFKASA-N -1 3 364.250 2.780 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(F)cnc2Br)c1 ZINC001259118295 1039729098 /nfs/dbraw/zinc/72/90/98/1039729098.db2.gz KPFSZXVMCVKOPH-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)c2cccc(C#N)c2)on1 ZINC001213242423 1040369091 /nfs/dbraw/zinc/36/90/91/1040369091.db2.gz HFNMWIUZGCWCPH-UHFFFAOYSA-N -1 3 369.402 2.700 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nn1 ZINC001213354415 1040471641 /nfs/dbraw/zinc/47/16/41/1040471641.db2.gz VESBAMYCVVCDOZ-UHFFFAOYSA-N -1 3 361.254 2.640 20 30 FFEDHM Cc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1Br ZINC001213603050 1040710306 /nfs/dbraw/zinc/71/03/06/1040710306.db2.gz KLUBQFASCIFFQU-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM C=CCCC[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(=O)OC ZINC001213735461 1040856694 /nfs/dbraw/zinc/85/66/94/1040856694.db2.gz XPZNQISLGXEBDN-OAHLLOKOSA-N -1 3 359.875 2.700 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001263317026 1042236917 /nfs/dbraw/zinc/23/69/17/1042236917.db2.gz LUTFFUKHOGICAI-GOSISDBHSA-N -1 3 372.498 2.740 20 30 FFEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cn2)C[C@H](C)O1 ZINC001263379124 1042271000 /nfs/dbraw/zinc/27/10/00/1042271000.db2.gz DDDHMTUHOOONBX-VNHYZAJKSA-N -1 3 354.385 2.719 20 30 FFEDHM C#CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(C)C)C1 ZINC001263419296 1042296956 /nfs/dbraw/zinc/29/69/56/1042296956.db2.gz GYFYIGBHQJFXRJ-OAHLLOKOSA-N -1 3 354.458 2.645 20 30 FFEDHM C/C(=N\[O-])c1ccc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC001240844617 1044444668 /nfs/dbraw/zinc/44/46/68/1044444668.db2.gz MSLJRKIHPDXTSN-XMHGGMMESA-N -1 3 360.435 2.573 20 30 FFEDHM O=C(OCc1ccccc1-c1cccc(F)c1[O-])ON1C(=O)CCC1=O ZINC001242350467 1044723699 /nfs/dbraw/zinc/72/36/99/1044723699.db2.gz GRUMSNVPAKHOAU-UHFFFAOYSA-N -1 3 359.309 2.916 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc([N+](=O)[O-])c1 ZINC001321483064 1045681193 /nfs/dbraw/zinc/68/11/93/1045681193.db2.gz XDKZQJAPPSBIKF-UHFFFAOYSA-N -1 3 370.390 2.949 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)COc3ccc(C#N)cc3)nc21 ZINC001539853092 1070713636 /nfs/dbraw/zinc/71/36/36/1070713636.db2.gz UAHUWKNCHNJHMJ-UHFFFAOYSA-N -1 3 364.361 2.629 20 30 FFEDHM COc1cccc2c1OCCC[C@H]2/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001330829826 1049350390 /nfs/dbraw/zinc/35/03/90/1049350390.db2.gz LRNRCXYPAMISDS-CQSZACIVSA-N -1 3 358.419 2.648 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccc(OC)cc1 ZINC001342387217 1050981964 /nfs/dbraw/zinc/98/19/64/1050981964.db2.gz YSNHJHPPSPNMRM-UHFFFAOYSA-N -1 3 366.425 2.580 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001340733782 1051092231 /nfs/dbraw/zinc/09/22/31/1051092231.db2.gz TVDVQERZOYOKJA-HNNXBMFYSA-N -1 3 365.894 2.626 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001340733782 1051092239 /nfs/dbraw/zinc/09/22/39/1051092239.db2.gz TVDVQERZOYOKJA-HNNXBMFYSA-N -1 3 365.894 2.626 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001342533587 1051136985 /nfs/dbraw/zinc/13/69/85/1051136985.db2.gz VHSIYMJOFMSQGX-NSHDSACASA-N -1 3 359.821 2.880 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001342533587 1051136991 /nfs/dbraw/zinc/13/69/91/1051136991.db2.gz VHSIYMJOFMSQGX-NSHDSACASA-N -1 3 359.821 2.880 20 30 FFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nnc(OCC)[n-]2)s1 ZINC001302692430 1051172678 /nfs/dbraw/zinc/17/26/78/1051172678.db2.gz IYLBJPXZIMHXIJ-UHFFFAOYSA-N -1 3 373.891 2.994 20 30 FFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2n[n-]c(OCC)n2)s1 ZINC001302692430 1051172683 /nfs/dbraw/zinc/17/26/83/1051172683.db2.gz IYLBJPXZIMHXIJ-UHFFFAOYSA-N -1 3 373.891 2.994 20 30 FFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nc(OCC)n[n-]2)s1 ZINC001302692430 1051172689 /nfs/dbraw/zinc/17/26/89/1051172689.db2.gz IYLBJPXZIMHXIJ-UHFFFAOYSA-N -1 3 373.891 2.994 20 30 FFEDHM CNc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)cc(Cl)n1 ZINC001342568539 1051174856 /nfs/dbraw/zinc/17/48/56/1051174856.db2.gz YHMPEUJTCJHQBN-LLVKDONJSA-N -1 3 358.785 2.746 20 30 FFEDHM Cc1nc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)ccc1C#N ZINC001304565879 1051641496 /nfs/dbraw/zinc/64/14/96/1051641496.db2.gz MZRUWCFYGNFFNQ-UHFFFAOYSA-N -1 3 361.361 2.594 20 30 FFEDHM Cc1nc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)ccc1C#N ZINC001304565879 1051641500 /nfs/dbraw/zinc/64/15/00/1051641500.db2.gz MZRUWCFYGNFFNQ-UHFFFAOYSA-N -1 3 361.361 2.594 20 30 FFEDHM N#CC(=C([O-])c1ccc(Cn2cccn2)cc1)c1nc(N)c2ccccc2n1 ZINC001343271167 1052123461 /nfs/dbraw/zinc/12/34/61/1052123461.db2.gz BKSCQHUYZVLRRF-KRWDZBQOSA-N -1 3 368.400 2.947 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001345746451 1052598337 /nfs/dbraw/zinc/59/83/37/1052598337.db2.gz RYEIMMHWVGNCIC-QFIPXVFZSA-N -1 3 362.429 2.517 20 30 FFEDHM COCCCn1cc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)cn1 ZINC001344368148 1052736955 /nfs/dbraw/zinc/73/69/55/1052736955.db2.gz LPVJYGRNEVTYTI-LBPRGKRZSA-N -1 3 357.801 2.939 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)cc1C1CC1 ZINC001356253169 1055417482 /nfs/dbraw/zinc/41/74/82/1055417482.db2.gz LMNJPRWTKYFAPK-OAHLLOKOSA-N -1 3 352.394 2.750 20 30 FFEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cccnc1OCC(F)(F)F ZINC001349701922 1055422034 /nfs/dbraw/zinc/42/20/34/1055422034.db2.gz KWYDHMWVVGBXAA-VIFPVBQESA-N -1 3 358.707 2.900 20 30 FFEDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@](C)(C#N)C1 ZINC001338589766 1055649251 /nfs/dbraw/zinc/64/92/51/1055649251.db2.gz VZBGBVNDMBQUCC-QGZVFWFLSA-N -1 3 354.439 2.927 20 30 FFEDHM C=CC[C@H]1CCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC001338696601 1055739854 /nfs/dbraw/zinc/73/98/54/1055739854.db2.gz VMDBRQGCSIMHOF-INIZCTEOSA-N -1 3 366.421 2.527 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(C)(F)CC1 ZINC001338862289 1055881008 /nfs/dbraw/zinc/88/10/08/1055881008.db2.gz CPIJVNAHZPFUPJ-UHFFFAOYSA-N -1 3 358.421 2.833 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000847497136 1055929739 /nfs/dbraw/zinc/92/97/39/1055929739.db2.gz YKSATYOVXDEPJE-CQSZACIVSA-N -1 3 352.394 2.671 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1CCO[C@H]1CCCCO1 ZINC001357598810 1055959150 /nfs/dbraw/zinc/95/91/50/1055959150.db2.gz LALBUCQABAKHEK-KSSFIOAISA-N -1 3 372.400 2.759 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001338963064 1055969627 /nfs/dbraw/zinc/96/96/27/1055969627.db2.gz GCQGYPDBISJDOL-HNNXBMFYSA-N -1 3 362.437 2.929 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001200392685 1056576750 /nfs/dbraw/zinc/57/67/50/1056576750.db2.gz DQBXJOBQORDLGT-QWHCGFSZSA-N -1 3 359.455 2.714 20 30 FFEDHM COC(=O)c1ccc2c(c1)[C@H](C/N=C/c1c([O-])c(C)ncc1CO)CCC2 ZINC000849170167 1056789308 /nfs/dbraw/zinc/78/93/08/1056789308.db2.gz LSNKSEUSOOAPOW-RSFOSLOZSA-N -1 3 368.433 2.914 20 30 FFEDHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135015 1059104559 /nfs/dbraw/zinc/10/45/59/1059104559.db2.gz IMQJXOFUJADCKA-AWEZNQCLSA-N -1 3 373.478 2.887 20 30 FFEDHM Cc1cccc(COc2cccc(CC(=O)N[C@H]3CCCN([O-])C3=O)c2)c1 ZINC000848138948 1059113712 /nfs/dbraw/zinc/11/37/12/1059113712.db2.gz QMUYVLNEBDBEBL-IBGZPJMESA-N -1 3 368.433 2.613 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC(F)(F)CC1 ZINC001515030953 1059241354 /nfs/dbraw/zinc/24/13/54/1059241354.db2.gz GMMYHXOUWQADQI-UHFFFAOYSA-N -1 3 357.796 2.918 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC(F)(F)CC1 ZINC001515030953 1059241366 /nfs/dbraw/zinc/24/13/66/1059241366.db2.gz GMMYHXOUWQADQI-UHFFFAOYSA-N -1 3 357.796 2.918 20 30 FFEDHM O=C(Cn1nnnc1-c1ccccc1)N([O-])CCCCc1ccccc1 ZINC001458008142 1060490351 /nfs/dbraw/zinc/49/03/51/1060490351.db2.gz MMGAQRNXTKAKAO-UHFFFAOYSA-N -1 3 351.410 2.581 20 30 FFEDHM N#Cc1c(=O)n(Cc2cc(=O)[n-]c(-c3ccccc3)n2)cc2c1CCCC2 ZINC001459102631 1060706518 /nfs/dbraw/zinc/70/65/18/1060706518.db2.gz KXMOCOVARBSHNT-UHFFFAOYSA-N -1 3 358.401 2.810 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001475315700 1061045216 /nfs/dbraw/zinc/04/52/16/1061045216.db2.gz ADBWXBOHIRMOMK-KGLIPLIRSA-N -1 3 350.465 2.822 20 30 FFEDHM O=C(NCCCc1c[n-][nH]c1=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001475847242 1061298558 /nfs/dbraw/zinc/29/85/58/1061298558.db2.gz BNPSEEODJMDHSB-GOSISDBHSA-N -1 3 360.417 2.720 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001476141740 1061354798 /nfs/dbraw/zinc/35/47/98/1061354798.db2.gz JDNQAWNZQIVSFR-OLZOCXBDSA-N -1 3 359.455 2.572 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cnc(OC)s1)c1ccc(Cl)cc1F ZINC001463688734 1062213375 /nfs/dbraw/zinc/21/33/75/1062213375.db2.gz KEQMCKQVSXADIN-NSHDSACASA-N -1 3 360.819 2.597 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccccc2C#N)C(=O)N1c1ccccc1 ZINC001465463606 1063105586 /nfs/dbraw/zinc/10/55/86/1063105586.db2.gz DCVJDDOENWKPQV-CXAGYDPISA-N -1 3 369.371 2.960 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001465629748 1063162419 /nfs/dbraw/zinc/16/24/19/1063162419.db2.gz FFWZHFWHNJBUOD-VIFPVBQESA-N -1 3 353.304 2.718 20 30 FFEDHM C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3[O-])cc2C1=O ZINC001468601194 1064010431 /nfs/dbraw/zinc/01/04/31/1064010431.db2.gz LNQDWUZBOXUBBZ-UHFFFAOYSA-N -1 3 364.357 2.629 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnc(Cl)cc1C#N ZINC001575190614 1078115487 /nfs/dbraw/zinc/11/54/87/1078115487.db2.gz UCPIJMJQXOJVDP-JTQLQIEISA-N -1 3 367.800 2.604 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc(Cl)cc1C#N ZINC001575190614 1078115489 /nfs/dbraw/zinc/11/54/89/1078115489.db2.gz UCPIJMJQXOJVDP-JTQLQIEISA-N -1 3 367.800 2.604 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC001472621061 1065112595 /nfs/dbraw/zinc/11/25/95/1065112595.db2.gz FOOFEYKNQUTSFF-DOTOQJQBSA-N -1 3 364.490 2.906 20 30 FFEDHM C=CCC[C@H](O)CN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001473727538 1065334610 /nfs/dbraw/zinc/33/46/10/1065334610.db2.gz KEUUXYJYJLFMQQ-KBPBESRZSA-N -1 3 356.388 2.986 20 30 FFEDHM COc1cc(C(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001579890254 1078708865 /nfs/dbraw/zinc/70/88/65/1078708865.db2.gz OIDWMXUFXHACLE-LBPRGKRZSA-N -1 3 362.393 2.580 20 30 FFEDHM COc1cc(C(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001579890254 1078708868 /nfs/dbraw/zinc/70/88/68/1078708868.db2.gz OIDWMXUFXHACLE-LBPRGKRZSA-N -1 3 362.393 2.580 20 30 FFEDHM COc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001579898630 1078710054 /nfs/dbraw/zinc/71/00/54/1078710054.db2.gz QPRBEALSTAOQKB-MRXNPFEDSA-N -1 3 362.393 2.650 20 30 FFEDHM COc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001579898630 1078710058 /nfs/dbraw/zinc/71/00/58/1078710058.db2.gz QPRBEALSTAOQKB-MRXNPFEDSA-N -1 3 362.393 2.650 20 30 FFEDHM COc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1C#N ZINC001579928831 1078717014 /nfs/dbraw/zinc/71/70/14/1078717014.db2.gz HAEGQVKSAOBVMS-UHFFFAOYSA-N -1 3 365.353 2.576 20 30 FFEDHM COc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1C#N ZINC001579928831 1078717020 /nfs/dbraw/zinc/71/70/20/1078717020.db2.gz HAEGQVKSAOBVMS-UHFFFAOYSA-N -1 3 365.353 2.576 20 30 FFEDHM Cn1cc(CNc2cccc(CC#N)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001581772418 1078998954 /nfs/dbraw/zinc/99/89/54/1078998954.db2.gz XYUICUWKDOTVIZ-UHFFFAOYSA-N -1 3 370.420 2.945 20 30 FFEDHM Cn1cc(CNc2cccc(CC#N)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001581772418 1078998961 /nfs/dbraw/zinc/99/89/61/1078998961.db2.gz XYUICUWKDOTVIZ-UHFFFAOYSA-N -1 3 370.420 2.945 20 30 FFEDHM N#Cc1ccc(CNc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC001581872192 1079010615 /nfs/dbraw/zinc/01/06/15/1079010615.db2.gz OLLDPBUTIOWOSQ-UHFFFAOYSA-N -1 3 356.393 2.595 20 30 FFEDHM N#Cc1ccc(CNc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC001581872192 1079010622 /nfs/dbraw/zinc/01/06/22/1079010622.db2.gz OLLDPBUTIOWOSQ-UHFFFAOYSA-N -1 3 356.393 2.595 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001583533474 1079230254 /nfs/dbraw/zinc/23/02/54/1079230254.db2.gz AIKHYOLKITWIRD-UHFFFAOYSA-N -1 3 364.449 2.534 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1coc(C#N)c1 ZINC001585509275 1079470096 /nfs/dbraw/zinc/47/00/96/1079470096.db2.gz YOAXHIRLEPVZRC-UHFFFAOYSA-N -1 3 373.312 2.794 20 30 FFEDHM Cc1cc(C(=O)NCc2nc(C)cc(=O)[n-]2)c(C)n1-c1ccc(C#N)cc1 ZINC001557321918 1075838450 /nfs/dbraw/zinc/83/84/50/1075838450.db2.gz USAGCRNOONJVJE-UHFFFAOYSA-N -1 3 361.405 2.700 20 30 FFEDHM CCN(CCOc1ccccc1C)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001559927479 1076203261 /nfs/dbraw/zinc/20/32/61/1076203261.db2.gz UJRZEUNXXHJNHQ-UHFFFAOYSA-N -1 3 351.410 2.516 20 30 FFEDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001561479569 1076382649 /nfs/dbraw/zinc/38/26/49/1076382649.db2.gz GJSLVBGBDWDCBI-NSHDSACASA-N -1 3 365.333 2.722 20 30 FFEDHM C=C(C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F)c1ccccc1 ZINC001561626923 1076400585 /nfs/dbraw/zinc/40/05/85/1076400585.db2.gz NQNOOLWLNPZYGP-UHFFFAOYSA-N -1 3 363.410 2.994 20 30 FFEDHM Cc1ccc(-c2cnc(NC(=O)N[C@H]3CCCN([O-])C3=O)s2)c(C)c1 ZINC001562761727 1076515220 /nfs/dbraw/zinc/51/52/20/1076515220.db2.gz MPAMMEOZJAANDJ-ZDUSSCGKSA-N -1 3 360.439 2.929 20 30 FFEDHM C#C[C@@H](CC)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001588326277 1079984106 /nfs/dbraw/zinc/98/41/06/1079984106.db2.gz IUUWJCUQTZTTCU-ZDUSSCGKSA-N -1 3 363.381 2.587 20 30 FFEDHM C#C[C@@H](CC)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001588326277 1079984112 /nfs/dbraw/zinc/98/41/12/1079984112.db2.gz IUUWJCUQTZTTCU-ZDUSSCGKSA-N -1 3 363.381 2.587 20 30 FFEDHM C#CC[C@@H](CCOC)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588331325 1079986674 /nfs/dbraw/zinc/98/66/74/1079986674.db2.gz NKLBKLITMCFLHR-ZDUSSCGKSA-N -1 3 369.450 2.548 20 30 FFEDHM C#CC[C@@H](CCOC)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588331325 1079986681 /nfs/dbraw/zinc/98/66/81/1079986681.db2.gz NKLBKLITMCFLHR-ZDUSSCGKSA-N -1 3 369.450 2.548 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588335686 1079988405 /nfs/dbraw/zinc/98/84/05/1079988405.db2.gz UVTQOFOAPIZIRQ-INIZCTEOSA-N -1 3 367.453 2.678 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588335686 1079988412 /nfs/dbraw/zinc/98/84/12/1079988412.db2.gz UVTQOFOAPIZIRQ-INIZCTEOSA-N -1 3 367.453 2.678 20 30 FFEDHM C#CCCCCC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588343877 1079990909 /nfs/dbraw/zinc/99/09/09/1079990909.db2.gz VFFMMOZXAPNXEQ-AWEZNQCLSA-N -1 3 351.332 2.780 20 30 FFEDHM C#CCCCCC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588343877 1079990914 /nfs/dbraw/zinc/99/09/14/1079990914.db2.gz VFFMMOZXAPNXEQ-AWEZNQCLSA-N -1 3 351.332 2.780 20 30 FFEDHM C#CCOc1cccc(NC(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588363135 1079993815 /nfs/dbraw/zinc/99/38/15/1079993815.db2.gz MLXAWUPEGUKWPT-AWEZNQCLSA-N -1 3 361.405 2.696 20 30 FFEDHM C#CCOc1cccc(NC(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588363135 1079993822 /nfs/dbraw/zinc/99/38/22/1079993822.db2.gz MLXAWUPEGUKWPT-AWEZNQCLSA-N -1 3 361.405 2.696 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588392447 1080005039 /nfs/dbraw/zinc/00/50/39/1080005039.db2.gz ZZOXLDHMIVTRBT-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588392447 1080005051 /nfs/dbraw/zinc/00/50/51/1080005051.db2.gz ZZOXLDHMIVTRBT-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588393860 1080007346 /nfs/dbraw/zinc/00/73/46/1080007346.db2.gz RJDVBYMVOWKTPU-UHFFFAOYSA-N -1 3 354.458 2.554 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588393860 1080007358 /nfs/dbraw/zinc/00/73/58/1080007358.db2.gz RJDVBYMVOWKTPU-UHFFFAOYSA-N -1 3 354.458 2.554 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCCN(CC)c1nc(C)ccc1-c1nnn[n-]1 ZINC001588396502 1080009179 /nfs/dbraw/zinc/00/91/79/1080009179.db2.gz LMGHCOIDNUZRDR-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCCN(CC)c1nc(C)ccc1-c1nn[n-]n1 ZINC001588396502 1080009186 /nfs/dbraw/zinc/00/91/86/1080009186.db2.gz LMGHCOIDNUZRDR-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588411798 1080015391 /nfs/dbraw/zinc/01/53/91/1080015391.db2.gz KGDMLGHRDRXLID-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588411798 1080015403 /nfs/dbraw/zinc/01/54/03/1080015403.db2.gz KGDMLGHRDRXLID-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001588415313 1080018908 /nfs/dbraw/zinc/01/89/08/1080018908.db2.gz IHYXPICEZBTJTG-HNNXBMFYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001588415313 1080018915 /nfs/dbraw/zinc/01/89/15/1080018915.db2.gz IHYXPICEZBTJTG-HNNXBMFYSA-N -1 3 372.448 2.693 20 30 FFEDHM C#CCC1(NCc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)CCCCC1 ZINC001588427506 1080022953 /nfs/dbraw/zinc/02/29/53/1080022953.db2.gz AEKDNPOJPDHIKZ-UHFFFAOYSA-N -1 3 359.451 2.807 20 30 FFEDHM C#CCC1([NH2+]Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[n-]2)CCCCC1 ZINC001588427506 1080022962 /nfs/dbraw/zinc/02/29/62/1080022962.db2.gz AEKDNPOJPDHIKZ-UHFFFAOYSA-N -1 3 359.451 2.807 20 30 FFEDHM C=C(Cl)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]1C ZINC001588448052 1080030482 /nfs/dbraw/zinc/03/04/82/1080030482.db2.gz PSMXLWRNHNFDMZ-LBPRGKRZSA-N -1 3 370.848 2.866 20 30 FFEDHM C=C(Cl)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]1C ZINC001588448052 1080030493 /nfs/dbraw/zinc/03/04/93/1080030493.db2.gz PSMXLWRNHNFDMZ-LBPRGKRZSA-N -1 3 370.848 2.866 20 30 FFEDHM C=C1CCC(C(=O)N2CCC(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001588461909 1080035526 /nfs/dbraw/zinc/03/55/26/1080035526.db2.gz XURDXCXLHMILAH-UHFFFAOYSA-N -1 3 352.442 2.714 20 30 FFEDHM C=C1CCC(C(=O)N2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001588461909 1080035537 /nfs/dbraw/zinc/03/55/37/1080035537.db2.gz XURDXCXLHMILAH-UHFFFAOYSA-N -1 3 352.442 2.714 20 30 FFEDHM C=C1CCN(c2c(-c3nnn[n-]3)cnc3c(OC)cc(OC)cc32)CC1 ZINC001588462665 1080037104 /nfs/dbraw/zinc/03/71/04/1080037104.db2.gz MDCVMLCWRICDDZ-UHFFFAOYSA-N -1 3 352.398 2.589 20 30 FFEDHM C=C1CCN(c2c(-c3nn[n-]n3)cnc3c(OC)cc(OC)cc32)CC1 ZINC001588462665 1080037113 /nfs/dbraw/zinc/03/71/13/1080037113.db2.gz MDCVMLCWRICDDZ-UHFFFAOYSA-N -1 3 352.398 2.589 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588474058 1080040201 /nfs/dbraw/zinc/04/02/01/1080040201.db2.gz BOWWNYMLSXMIHE-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588474058 1080040208 /nfs/dbraw/zinc/04/02/08/1080040208.db2.gz BOWWNYMLSXMIHE-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](C)CCCCNc1ncccc1-c1nnn[n-]1 ZINC001588475591 1080041144 /nfs/dbraw/zinc/04/11/44/1080041144.db2.gz MWICYKSRUMEMES-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](C)CCCCNc1ncccc1-c1nn[n-]n1 ZINC001588475591 1080041152 /nfs/dbraw/zinc/04/11/52/1080041152.db2.gz MWICYKSRUMEMES-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588475197 1080043407 /nfs/dbraw/zinc/04/34/07/1080043407.db2.gz KHDLPERMKFQOAM-OAHLLOKOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588475197 1080043417 /nfs/dbraw/zinc/04/34/17/1080043417.db2.gz KHDLPERMKFQOAM-OAHLLOKOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588484683 1080047659 /nfs/dbraw/zinc/04/76/59/1080047659.db2.gz KKSFYSYOVTWKMD-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588484683 1080047667 /nfs/dbraw/zinc/04/76/67/1080047667.db2.gz KKSFYSYOVTWKMD-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588484502 1080047952 /nfs/dbraw/zinc/04/79/52/1080047952.db2.gz FVGCPRMBUOMQIO-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588484502 1080047959 /nfs/dbraw/zinc/04/79/59/1080047959.db2.gz FVGCPRMBUOMQIO-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588496266 1080060085 /nfs/dbraw/zinc/06/00/85/1080060085.db2.gz OOHPQVKFWDMJDU-NJSLBKSFSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588496266 1080060092 /nfs/dbraw/zinc/06/00/92/1080060092.db2.gz OOHPQVKFWDMJDU-NJSLBKSFSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588521220 1080073095 /nfs/dbraw/zinc/07/30/95/1080073095.db2.gz JUTUVAUXXPBLNM-YJYMSZOUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588521220 1080073100 /nfs/dbraw/zinc/07/31/00/1080073100.db2.gz JUTUVAUXXPBLNM-YJYMSZOUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCCCC1 ZINC001588556917 1080094424 /nfs/dbraw/zinc/09/44/24/1080094424.db2.gz GMVANMMEELBBNT-UHFFFAOYSA-N -1 3 365.434 2.563 20 30 FFEDHM C=CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCOCC1 ZINC001588557179 1080094534 /nfs/dbraw/zinc/09/45/34/1080094534.db2.gz HPBKMLVGALZOFG-UHFFFAOYSA-N -1 3 362.821 2.767 20 30 FFEDHM C=CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCOCC1 ZINC001588557179 1080094540 /nfs/dbraw/zinc/09/45/40/1080094540.db2.gz HPBKMLVGALZOFG-UHFFFAOYSA-N -1 3 362.821 2.767 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588560221 1080095832 /nfs/dbraw/zinc/09/58/32/1080095832.db2.gz OPLDKIWQTVBWRA-CZUORRHYSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588560221 1080095841 /nfs/dbraw/zinc/09/58/41/1080095841.db2.gz OPLDKIWQTVBWRA-CZUORRHYSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CCC1(O)CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC001588557932 1080096565 /nfs/dbraw/zinc/09/65/65/1080096565.db2.gz WXAZLNUSSAUBMP-UHFFFAOYSA-N -1 3 372.379 2.601 20 30 FFEDHM C=CCC1(O)CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC001588557932 1080096569 /nfs/dbraw/zinc/09/65/69/1080096569.db2.gz WXAZLNUSSAUBMP-UHFFFAOYSA-N -1 3 372.379 2.601 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588560963 1080097750 /nfs/dbraw/zinc/09/77/50/1080097750.db2.gz WOMPKCPNFPBULQ-BVGQSLNGSA-N -1 3 366.469 2.768 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588560963 1080097760 /nfs/dbraw/zinc/09/77/60/1080097760.db2.gz WOMPKCPNFPBULQ-BVGQSLNGSA-N -1 3 366.469 2.768 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588560655 1080099018 /nfs/dbraw/zinc/09/90/18/1080099018.db2.gz TYNLDQNRIRZYRZ-ZBFHGGJFSA-N -1 3 370.457 2.809 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588560655 1080099023 /nfs/dbraw/zinc/09/90/23/1080099023.db2.gz TYNLDQNRIRZYRZ-ZBFHGGJFSA-N -1 3 370.457 2.809 20 30 FFEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588564154 1080100378 /nfs/dbraw/zinc/10/03/78/1080100378.db2.gz JCJHEXJDMFYZRX-QGZVFWFLSA-N -1 3 367.453 2.552 20 30 FFEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588564154 1080100385 /nfs/dbraw/zinc/10/03/85/1080100385.db2.gz JCJHEXJDMFYZRX-QGZVFWFLSA-N -1 3 367.453 2.552 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588593357 1080115555 /nfs/dbraw/zinc/11/55/55/1080115555.db2.gz AKEGHGAHQPOTFJ-SHTZXODSSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588593357 1080115556 /nfs/dbraw/zinc/11/55/56/1080115556.db2.gz AKEGHGAHQPOTFJ-SHTZXODSSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCCCOC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588596619 1080117608 /nfs/dbraw/zinc/11/76/08/1080117608.db2.gz WWUCKNALTSDGPV-OAHLLOKOSA-N -1 3 369.425 2.509 20 30 FFEDHM C=CCCCCCOC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588596619 1080117610 /nfs/dbraw/zinc/11/76/10/1080117610.db2.gz WWUCKNALTSDGPV-OAHLLOKOSA-N -1 3 369.425 2.509 20 30 FFEDHM C=CCN(C)c1nnc([C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)n1CC=C ZINC001588626997 1080127378 /nfs/dbraw/zinc/12/73/78/1080127378.db2.gz ZAFFFDOWEADSKQ-AWEZNQCLSA-N -1 3 364.457 2.613 20 30 FFEDHM C=CCN(C)c1nnc([C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)n1CC=C ZINC001588626997 1080127383 /nfs/dbraw/zinc/12/73/83/1080127383.db2.gz ZAFFFDOWEADSKQ-AWEZNQCLSA-N -1 3 364.457 2.613 20 30 FFEDHM C=CCN(CC=C)C(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588632410 1080129331 /nfs/dbraw/zinc/12/93/31/1080129331.db2.gz XLPADRGWBGISNO-CYBMUJFWSA-N -1 3 366.347 2.854 20 30 FFEDHM C=CCN(CC=C)C(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588632410 1080129335 /nfs/dbraw/zinc/12/93/35/1080129335.db2.gz XLPADRGWBGISNO-CYBMUJFWSA-N -1 3 366.347 2.854 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)C(F)(F)F ZINC001588640054 1080133874 /nfs/dbraw/zinc/13/38/74/1080133874.db2.gz JAIYDXWRQVGDGB-NSHDSACASA-N -1 3 353.348 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)C(F)(F)F ZINC001588640054 1080133879 /nfs/dbraw/zinc/13/38/79/1080133879.db2.gz JAIYDXWRQVGDGB-NSHDSACASA-N -1 3 353.348 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCS[C@H](C)C1 ZINC001588641859 1080134276 /nfs/dbraw/zinc/13/42/76/1080134276.db2.gz NRGYPJGHYOEGSQ-CZUORRHYSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCS[C@H](C)C1 ZINC001588641859 1080134279 /nfs/dbraw/zinc/13/42/79/1080134279.db2.gz NRGYPJGHYOEGSQ-CZUORRHYSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(CC)(CC)OC ZINC001588641277 1080134934 /nfs/dbraw/zinc/13/49/34/1080134934.db2.gz ATMBSUGALUQISG-UHFFFAOYSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(CC)(CC)OC ZINC001588641277 1080134937 /nfs/dbraw/zinc/13/49/37/1080134937.db2.gz ATMBSUGALUQISG-UHFFFAOYSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC001588647894 1080138288 /nfs/dbraw/zinc/13/82/88/1080138288.db2.gz CZFFOHMELKREHH-MRXNPFEDSA-N -1 3 370.501 2.889 20 30 FFEDHM C=CCN(Cc1cc(C(=O)OC)cs1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588649152 1080139501 /nfs/dbraw/zinc/13/95/01/1080139501.db2.gz VPBFKIBYEASKNH-UHFFFAOYSA-N -1 3 369.450 2.903 20 30 FFEDHM C=CCN(Cc1noc(CCCC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652408 1080141733 /nfs/dbraw/zinc/14/17/33/1080141733.db2.gz YPHZKIMEWNGFDM-UHFFFAOYSA-N -1 3 353.430 2.781 20 30 FFEDHM C=CCN(Cc1noc(CCCC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652408 1080141736 /nfs/dbraw/zinc/14/17/36/1080141736.db2.gz YPHZKIMEWNGFDM-UHFFFAOYSA-N -1 3 353.430 2.781 20 30 FFEDHM C=CCOCCCC(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1 ZINC001588682962 1080152412 /nfs/dbraw/zinc/15/24/12/1080152412.db2.gz VFEMCBPNBUGGTE-UHFFFAOYSA-N -1 3 371.319 2.687 20 30 FFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001588893623 1080242995 /nfs/dbraw/zinc/24/29/95/1080242995.db2.gz WQMAOBGGEDJKGP-OAHLLOKOSA-N -1 3 360.377 2.705 20 30 FFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001588893623 1080243004 /nfs/dbraw/zinc/24/30/04/1080243004.db2.gz WQMAOBGGEDJKGP-OAHLLOKOSA-N -1 3 360.377 2.705 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588895115 1080243988 /nfs/dbraw/zinc/24/39/88/1080243988.db2.gz VJQSPPMGTGBNOF-DLBZAZTESA-N -1 3 372.388 2.683 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588895115 1080243994 /nfs/dbraw/zinc/24/39/94/1080243994.db2.gz VJQSPPMGTGBNOF-DLBZAZTESA-N -1 3 372.388 2.683 20 30 FFEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC001588903045 1080251130 /nfs/dbraw/zinc/25/11/30/1080251130.db2.gz IRLAPFPIJVMWON-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC001588903045 1080251136 /nfs/dbraw/zinc/25/11/36/1080251136.db2.gz IRLAPFPIJVMWON-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588930708 1080269346 /nfs/dbraw/zinc/26/93/46/1080269346.db2.gz HZTJSXSDPVPELT-NSHDSACASA-N -1 3 357.418 2.667 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588930708 1080269354 /nfs/dbraw/zinc/26/93/54/1080269354.db2.gz HZTJSXSDPVPELT-NSHDSACASA-N -1 3 357.418 2.667 20 30 FFEDHM CC(C)(C#N)CCCCOC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589033226 1080316521 /nfs/dbraw/zinc/31/65/21/1080316521.db2.gz AUQKSEKYKDYHSC-INIZCTEOSA-N -1 3 366.425 2.812 20 30 FFEDHM CC(C)(C#N)CCCCOC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589033226 1080316527 /nfs/dbraw/zinc/31/65/27/1080316527.db2.gz AUQKSEKYKDYHSC-INIZCTEOSA-N -1 3 366.425 2.812 20 30 FFEDHM CC(C)(C(=O)NCCC#C[Si](C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589048552 1080325226 /nfs/dbraw/zinc/32/52/26/1080325226.db2.gz MMTDFRBSKBAIJF-UHFFFAOYSA-N -1 3 355.518 2.531 20 30 FFEDHM CC(C)(C(=O)NCCC#C[Si](C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589048552 1080325230 /nfs/dbraw/zinc/32/52/30/1080325230.db2.gz MMTDFRBSKBAIJF-UHFFFAOYSA-N -1 3 355.518 2.531 20 30 FFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001589221527 1080428041 /nfs/dbraw/zinc/42/80/41/1080428041.db2.gz GDEWVOCWRRUPAU-MRXNPFEDSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001589221527 1080428045 /nfs/dbraw/zinc/42/80/45/1080428045.db2.gz GDEWVOCWRRUPAU-MRXNPFEDSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)(CCC#N)CNc1nc(Br)ccc1-c1nnn[n-]1 ZINC001589272796 1080458151 /nfs/dbraw/zinc/45/81/51/1080458151.db2.gz PNMWZWDHTNJMNF-UHFFFAOYSA-N -1 3 350.224 2.766 20 30 FFEDHM CC(C)(CCC#N)CNc1nc(Br)ccc1-c1nn[n-]n1 ZINC001589272796 1080458155 /nfs/dbraw/zinc/45/81/55/1080458155.db2.gz PNMWZWDHTNJMNF-UHFFFAOYSA-N -1 3 350.224 2.766 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001589701565 1080678283 /nfs/dbraw/zinc/67/82/83/1080678283.db2.gz MUZGBXNXDZODJB-UHFFFAOYSA-N -1 3 364.384 2.928 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001589701565 1080678285 /nfs/dbraw/zinc/67/82/85/1080678285.db2.gz MUZGBXNXDZODJB-UHFFFAOYSA-N -1 3 364.384 2.928 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1cc(C#N)sc1[N+](=O)[O-] ZINC001590047908 1080976665 /nfs/dbraw/zinc/97/66/65/1080976665.db2.gz ZFFPBWOSOGGYDY-VIFPVBQESA-N -1 3 355.383 2.905 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1cc(C#N)sc1[N+](=O)[O-] ZINC001590047908 1080976668 /nfs/dbraw/zinc/97/66/68/1080976668.db2.gz ZFFPBWOSOGGYDY-VIFPVBQESA-N -1 3 355.383 2.905 20 30 FFEDHM CC1(C)CCCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590095779 1081008049 /nfs/dbraw/zinc/00/80/49/1081008049.db2.gz AIOAVZWPHOKXPD-INIZCTEOSA-N -1 3 352.442 2.588 20 30 FFEDHM C[C@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)OCCc2sccc21 ZINC001590133399 1081039803 /nfs/dbraw/zinc/03/98/03/1081039803.db2.gz BHKZICZHRSLCPK-QGZVFWFLSA-N -1 3 352.423 2.700 20 30 FFEDHM C[C@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)OCCc2sccc21 ZINC001590133399 1081039808 /nfs/dbraw/zinc/03/98/08/1081039808.db2.gz BHKZICZHRSLCPK-QGZVFWFLSA-N -1 3 352.423 2.700 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccccc1N(C)C ZINC000288518904 257199432 /nfs/dbraw/zinc/19/94/32/257199432.db2.gz JIBFTBAHHGPTCE-UHFFFAOYSA-N -1 3 366.465 2.933 20 30 FFEDHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000330756731 258169987 /nfs/dbraw/zinc/16/99/87/258169987.db2.gz HOBNYNINKRLNDX-BLLLJJGKSA-N -1 3 370.858 2.612 20 30 FFEDHM C=C(C)CCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000452716542 514473212 /nfs/dbraw/zinc/47/32/12/514473212.db2.gz IKCUVEGZMRDZDS-UHFFFAOYSA-N -1 3 350.362 2.773 20 30 FFEDHM C=CC[C@@H](CO)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000410064586 512196449 /nfs/dbraw/zinc/19/64/49/512196449.db2.gz GNDLTTJRNXWQMC-AWEZNQCLSA-N -1 3 364.401 2.987 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000037575739 506429493 /nfs/dbraw/zinc/42/94/93/506429493.db2.gz QCJFWWADMPRNED-UHFFFAOYSA-N -1 3 355.051 2.676 20 30 FFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000068220000 507154113 /nfs/dbraw/zinc/15/41/13/507154113.db2.gz YYRHFTQJOCHBTB-CYBMUJFWSA-N -1 3 366.356 2.647 20 30 FFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000068220000 507154116 /nfs/dbraw/zinc/15/41/16/507154116.db2.gz YYRHFTQJOCHBTB-CYBMUJFWSA-N -1 3 366.356 2.647 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000068220000 507154121 /nfs/dbraw/zinc/15/41/21/507154121.db2.gz YYRHFTQJOCHBTB-CYBMUJFWSA-N -1 3 366.356 2.647 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000019678094 507190580 /nfs/dbraw/zinc/19/05/80/507190580.db2.gz PXTZABDQFXSPHL-UHFFFAOYSA-N -1 3 367.405 2.611 20 30 FFEDHM COc1ccccc1[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000020010986 507207906 /nfs/dbraw/zinc/20/79/06/507207906.db2.gz IBTWEYZMTAQQAL-CQSZACIVSA-N -1 3 353.422 2.682 20 30 FFEDHM CCC[N-]C(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1cccc([O-])c1 ZINC000069047750 507391548 /nfs/dbraw/zinc/39/15/48/507391548.db2.gz SBFDOTCAIAPBLR-UHFFFAOYSA-O -1 3 357.455 2.648 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000367102176 512338563 /nfs/dbraw/zinc/33/85/63/512338563.db2.gz VCBFOPDRDIAMPK-GFCCVEGCSA-N -1 3 365.455 2.564 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1Cl ZINC000059773349 507502344 /nfs/dbraw/zinc/50/23/44/507502344.db2.gz PBRVMTNELJQXKX-UHFFFAOYSA-N -1 3 370.217 2.765 20 30 FFEDHM COc1cccc(Cc2nnc([N-]C(=O)c3ccc(C#N)cn3)s2)c1 ZINC000107479839 507854203 /nfs/dbraw/zinc/85/42/03/507854203.db2.gz XEAVDQUUHAKVQF-UHFFFAOYSA-N -1 3 351.391 2.656 20 30 FFEDHM COC(=O)Cc1nnc(NC(=O)c2cc(C)c(Br)cc2C)[n-]1 ZINC000092352692 508063555 /nfs/dbraw/zinc/06/35/55/508063555.db2.gz FNYUACIDEJYIJQ-UHFFFAOYSA-N -1 3 367.203 2.536 20 30 FFEDHM COC(=O)Cc1nc(NC(=O)c2cc(C)c(Br)cc2C)n[n-]1 ZINC000092352692 508063557 /nfs/dbraw/zinc/06/35/57/508063557.db2.gz FNYUACIDEJYIJQ-UHFFFAOYSA-N -1 3 367.203 2.536 20 30 FFEDHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(C)c(Br)cc2C)n1 ZINC000092352692 508063553 /nfs/dbraw/zinc/06/35/53/508063553.db2.gz FNYUACIDEJYIJQ-UHFFFAOYSA-N -1 3 367.203 2.536 20 30 FFEDHM Cc1ccc(O[C@@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000080662560 508092338 /nfs/dbraw/zinc/09/23/38/508092338.db2.gz RBSDCSJQWOANGI-AWEZNQCLSA-N -1 3 367.449 2.688 20 30 FFEDHM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1ccc(C(F)(F)F)cn1 ZINC000103796651 508322512 /nfs/dbraw/zinc/32/25/12/508322512.db2.gz LIOMMFHYJSTRCF-LLVKDONJSA-N -1 3 361.279 2.921 20 30 FFEDHM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C)NC1=O ZINC000103796114 508322598 /nfs/dbraw/zinc/32/25/98/508322598.db2.gz IDTHPZACPUQRNR-WCQYABFASA-N -1 3 360.373 2.783 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000106290615 508398935 /nfs/dbraw/zinc/39/89/35/508398935.db2.gz GNMOVILLKSTNCH-UHFFFAOYSA-N -1 3 353.260 2.925 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccc(N(C)C)c1 ZINC000156382610 508411717 /nfs/dbraw/zinc/41/17/17/508411717.db2.gz UTCJTDCLMIBDRM-UHFFFAOYSA-N -1 3 366.465 2.521 20 30 FFEDHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156735453 508469630 /nfs/dbraw/zinc/46/96/30/508469630.db2.gz AISGEADZMKGKPR-SNVBAGLBSA-N -1 3 370.352 2.721 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000156828380 508482945 /nfs/dbraw/zinc/48/29/45/508482945.db2.gz GLLHIWNLZMIZEJ-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000152737708 508505309 /nfs/dbraw/zinc/50/53/09/508505309.db2.gz UNIFYSJGGDUYDV-SSDOTTSWSA-N -1 3 354.653 2.964 20 30 FFEDHM Cc1oc2ncnc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2c1C ZINC000118201572 508638753 /nfs/dbraw/zinc/63/87/53/508638753.db2.gz MLSLHSBKYNXTMB-UHFFFAOYSA-N -1 3 365.393 2.588 20 30 FFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)cc1C ZINC000128967605 508665457 /nfs/dbraw/zinc/66/54/57/508665457.db2.gz TUFSCQFUJNOQBA-AWEZNQCLSA-N -1 3 351.428 2.962 20 30 FFEDHM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000130170815 508801315 /nfs/dbraw/zinc/80/13/15/508801315.db2.gz RMARGSLJJODBLC-MRXNPFEDSA-N -1 3 365.437 2.633 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)c(F)c1 ZINC000151064124 508949521 /nfs/dbraw/zinc/94/95/21/508949521.db2.gz XONLQLUAJWWXFQ-UHFFFAOYSA-N -1 3 374.437 2.724 20 30 FFEDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151074313 508951053 /nfs/dbraw/zinc/95/10/53/508951053.db2.gz QZXXKZXQTGAZOJ-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccco1 ZINC000151111606 508958989 /nfs/dbraw/zinc/95/89/89/508958989.db2.gz WIUWTOOBUIEPBW-OAHLLOKOSA-N -1 3 365.430 2.652 20 30 FFEDHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4cccc(C#N)c4)cs3)nn21 ZINC000161133251 509075488 /nfs/dbraw/zinc/07/54/88/509075488.db2.gz ILBIPUHVRBSWOU-UHFFFAOYSA-N -1 3 361.390 2.680 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000156295222 509156504 /nfs/dbraw/zinc/15/65/04/509156504.db2.gz SKJWJZCJUOSDGN-KRWDZBQOSA-N -1 3 357.391 2.896 20 30 FFEDHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000182413390 509227135 /nfs/dbraw/zinc/22/71/35/509227135.db2.gz DNFWQAWNACPRGO-UHFFFAOYSA-N -1 3 352.847 2.543 20 30 FFEDHM N#Cc1cccnc1-n1cc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cn1 ZINC000185584413 509250136 /nfs/dbraw/zinc/25/01/36/509250136.db2.gz PTKMYZKCSBVIHW-VQHVLOKHSA-N -1 3 369.381 2.691 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000176138581 509342870 /nfs/dbraw/zinc/34/28/70/509342870.db2.gz GAOHCLVMJHCPJV-WMZOPIPTSA-N -1 3 369.465 2.546 20 30 FFEDHM C=C[C@@H](CC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000179427597 509437830 /nfs/dbraw/zinc/43/78/30/509437830.db2.gz FCKGQMBPYZBIOG-ZDUSSCGKSA-N -1 3 364.492 2.632 20 30 FFEDHM CCN(CCC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000267765787 509604327 /nfs/dbraw/zinc/60/43/27/509604327.db2.gz DUKAUWOTBLREDO-UHFFFAOYSA-N -1 3 371.890 2.793 20 30 FFEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)C2CC2)n1 ZINC000173465420 509617582 /nfs/dbraw/zinc/61/75/82/509617582.db2.gz JKHIUWIKVUHBOZ-AWEZNQCLSA-N -1 3 351.428 2.892 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC000186280189 509619831 /nfs/dbraw/zinc/61/98/31/509619831.db2.gz YSIYPEIOTUHSSI-AWEZNQCLSA-N -1 3 355.341 2.578 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000170735242 509744442 /nfs/dbraw/zinc/74/44/42/509744442.db2.gz ZTHRNYOEGUKNIC-INIZCTEOSA-N -1 3 350.827 2.878 20 30 FFEDHM C=CCC1(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCC1 ZINC000189799563 509758095 /nfs/dbraw/zinc/75/80/95/509758095.db2.gz NWVANWQKLMAODO-UHFFFAOYSA-N -1 3 350.440 2.617 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000180174604 509794958 /nfs/dbraw/zinc/79/49/58/509794958.db2.gz RLUPNAVEXOMPCN-SWLSCSKDSA-N -1 3 372.899 2.545 20 30 FFEDHM COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)N1CCCC1 ZINC000189869992 509799182 /nfs/dbraw/zinc/79/91/82/509799182.db2.gz VIBQVZMFTRPCQV-GOSISDBHSA-N -1 3 365.433 2.839 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)n1 ZINC000193267554 509844392 /nfs/dbraw/zinc/84/43/92/509844392.db2.gz QOLWJROQWCVFTQ-GUTXKFCHSA-N -1 3 356.451 2.950 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@@H](C)CC#N)cs2)c1 ZINC000183566538 509864804 /nfs/dbraw/zinc/86/48/04/509864804.db2.gz HUGACFAJHBLKSX-LBPRGKRZSA-N -1 3 372.450 2.713 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000174043560 509922240 /nfs/dbraw/zinc/92/22/40/509922240.db2.gz MFWNDEUIZOQYDN-NSHDSACASA-N -1 3 372.381 2.787 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1 ZINC000186934237 509960531 /nfs/dbraw/zinc/96/05/31/509960531.db2.gz PDBCTHIHDXWVLO-UHFFFAOYSA-N -1 3 370.217 2.765 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261821547 510078045 /nfs/dbraw/zinc/07/80/45/510078045.db2.gz YAZKXTYITYBZFE-UHFFFAOYSA-N -1 3 368.412 2.632 20 30 FFEDHM C=C(Cl)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000265567596 510119500 /nfs/dbraw/zinc/11/95/00/510119500.db2.gz UKSFRGRCWQUCIW-UHFFFAOYSA-N -1 3 371.673 2.531 20 30 FFEDHM C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000190608808 510238472 /nfs/dbraw/zinc/23/84/72/510238472.db2.gz LYCIPOCMQCMWBC-SJKOYZFVSA-N -1 3 371.387 2.994 20 30 FFEDHM C=CCCCCCN(C)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000265982514 510339313 /nfs/dbraw/zinc/33/93/13/510339313.db2.gz WLHXUFACOVEFEA-UHFFFAOYSA-N -1 3 359.517 2.544 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187767840 510426146 /nfs/dbraw/zinc/42/61/46/510426146.db2.gz UDOYBFOWKSMJGR-JSGCOSHPSA-N -1 3 372.874 2.726 20 30 FFEDHM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000178222258 510495536 /nfs/dbraw/zinc/49/55/36/510495536.db2.gz RDAPGRFEBFBAET-ZDUSSCGKSA-N -1 3 365.433 2.919 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc(Br)c1 ZINC000195455956 510831574 /nfs/dbraw/zinc/83/15/74/510831574.db2.gz PYILQJJHCNHDDH-AWEZNQCLSA-N -1 3 356.183 2.715 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000330914215 511028592 /nfs/dbraw/zinc/02/85/92/511028592.db2.gz SGLLCEPSPYILLI-VIFPVBQESA-N -1 3 351.653 2.929 20 30 FFEDHM N#Cc1c(C#N)c(N2CCc3nc[n-]c(=O)c3C2)nc2c1CCCCCC2 ZINC000280155629 511355919 /nfs/dbraw/zinc/35/59/19/511355919.db2.gz BPGVVSBCAFHHCI-UHFFFAOYSA-N -1 3 360.421 2.542 20 30 FFEDHM CC[C@](C)([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1nccs1 ZINC000295437151 511405651 /nfs/dbraw/zinc/40/56/51/511405651.db2.gz DJWBIOXNHHJXMU-HNNXBMFYSA-N -1 3 353.444 2.899 20 30 FFEDHM CC(C)[C@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272710250 511505456 /nfs/dbraw/zinc/50/54/56/511505456.db2.gz CKBBLKWWJFSBFT-MOPGFXCFSA-N -1 3 365.433 2.918 20 30 FFEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc(F)c(C#N)c1 ZINC000365979946 511763718 /nfs/dbraw/zinc/76/37/18/511763718.db2.gz FYIARHCXIPOOAU-UHFFFAOYSA-N -1 3 355.760 2.820 20 30 FFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000315969821 511800525 /nfs/dbraw/zinc/80/05/25/511800525.db2.gz MRCOOLDQTFRSPQ-UHFFFAOYSA-N -1 3 361.261 2.676 20 30 FFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000284767768 511860662 /nfs/dbraw/zinc/86/06/62/511860662.db2.gz VTXHBDNHOPHRMK-LBPRGKRZSA-N -1 3 374.890 2.683 20 30 FFEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000328640634 511904296 /nfs/dbraw/zinc/90/42/96/511904296.db2.gz CSCPBYHGLKQBFI-ZJUUUORDSA-N -1 3 368.187 2.872 20 30 FFEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C1CC1)[n+]1cccc([O-])c1Cl ZINC000274861144 511967817 /nfs/dbraw/zinc/96/78/17/511967817.db2.gz SYHPXQZJZLWAHD-UHFFFAOYSA-O -1 3 366.850 2.629 20 30 FFEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C1CC1)[n+]1cc([O-])cc(Cl)c1 ZINC000274870297 511970490 /nfs/dbraw/zinc/97/04/90/511970490.db2.gz VFWGPZNLVPWBIJ-UHFFFAOYSA-O -1 3 366.850 2.629 20 30 FFEDHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)n1 ZINC000329043300 511973395 /nfs/dbraw/zinc/97/33/95/511973395.db2.gz FAAJZTCBAVUDFI-DYVFJYSZSA-N -1 3 369.425 2.559 20 30 FFEDHM CO[C@]1(C)C[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)C1(C)C ZINC000329259987 512016063 /nfs/dbraw/zinc/01/60/63/512016063.db2.gz CQYXDNIZPAOYDT-ZXYKHMISSA-N -1 3 366.462 2.601 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NCC2CCC(C#N)CC2)NC(=O)[N-]C1=O ZINC000329473237 512053260 /nfs/dbraw/zinc/05/32/60/512053260.db2.gz AMYUTLDIFQSXKI-USYJBCIFSA-N -1 3 361.446 2.728 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@@H]2CCCSC2)NC(=O)[N-]C1=O ZINC000329711100 512088888 /nfs/dbraw/zinc/08/88/88/512088888.db2.gz ODIIATNTFYOMLS-MQIPJXDCSA-N -1 3 354.476 2.541 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc(-c2ccccc2)c[nH]1 ZINC000376275613 512745269 /nfs/dbraw/zinc/74/52/69/512745269.db2.gz QQTLGMAPJHKRLE-AWEZNQCLSA-N -1 3 356.407 2.971 20 30 FFEDHM COCCCn1c(=O)[n-]nc1SCc1ccc(C#N)cc1OC(F)F ZINC000439534722 513134619 /nfs/dbraw/zinc/13/46/19/513134619.db2.gz FOCLVVLETPPWFT-UHFFFAOYSA-N -1 3 370.381 2.786 20 30 FFEDHM COC(=O)c1[n-]c(=N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)sc1C ZINC000434084953 513233997 /nfs/dbraw/zinc/23/39/97/513233997.db2.gz MDNMNOQMLDBBTC-ZDUSSCGKSA-N -1 3 374.441 2.752 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C[S@](C)=O)c3)nc1-2 ZINC000429585458 513417494 /nfs/dbraw/zinc/41/74/94/513417494.db2.gz JKRYBDDERABWMM-SXBQZSJRSA-N -1 3 352.419 2.635 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000425131307 513424100 /nfs/dbraw/zinc/42/41/00/513424100.db2.gz PQNBOBYQJXWSEY-OAHLLOKOSA-N -1 3 365.433 2.912 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429651191 513431876 /nfs/dbraw/zinc/43/18/76/513431876.db2.gz GIXNFCGHAGPFRE-UHFFFAOYSA-N -1 3 363.368 2.759 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)(F)F)s1 ZINC000435430522 513582241 /nfs/dbraw/zinc/58/22/41/513582241.db2.gz CGSKJWNNGVFDTQ-UHFFFAOYSA-N -1 3 362.354 2.997 20 30 FFEDHM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435442805 513591428 /nfs/dbraw/zinc/59/14/28/513591428.db2.gz KMMNATNDSMSZNW-ZDUSSCGKSA-N -1 3 350.465 2.982 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1noc(Cc2ccccc2)n1 ZINC000451295600 513658933 /nfs/dbraw/zinc/65/89/33/513658933.db2.gz ZPVIXTUWCURWDP-ZDUSSCGKSA-N -1 3 362.455 2.581 20 30 FFEDHM CCC1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCOCC1 ZINC000416437167 513771586 /nfs/dbraw/zinc/77/15/86/513771586.db2.gz GKBHUYMXFULNEQ-UHFFFAOYSA-N -1 3 373.272 2.558 20 30 FFEDHM COC1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000416544795 513826498 /nfs/dbraw/zinc/82/64/98/513826498.db2.gz PFMBSARXMXFDJO-UHFFFAOYSA-N -1 3 362.373 2.813 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cc1 ZINC000443019293 513843425 /nfs/dbraw/zinc/84/34/25/513843425.db2.gz APYXZAGGAILLCN-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1Cl ZINC000431177991 513847005 /nfs/dbraw/zinc/84/70/05/513847005.db2.gz BKBJANTXPDIBTD-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1OC)CC(F)(F)F ZINC000416587952 513850720 /nfs/dbraw/zinc/85/07/20/513850720.db2.gz DZHSOXFRIUMLSN-SNVBAGLBSA-N -1 3 350.362 2.824 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N1CCCCC1 ZINC000443107147 513873974 /nfs/dbraw/zinc/87/39/74/513873974.db2.gz KFANRCAEVSIEIR-UHFFFAOYSA-N -1 3 355.891 2.754 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(-n2ccnc2)c1 ZINC000443127334 513880499 /nfs/dbraw/zinc/88/04/99/513880499.db2.gz BAPUXROQEQZZEV-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c([O-])c1 ZINC000436545842 513890653 /nfs/dbraw/zinc/89/06/53/513890653.db2.gz SQGPHEXVIXPOQN-MRXNPFEDSA-N -1 3 367.430 2.726 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cs1 ZINC000443372816 513953987 /nfs/dbraw/zinc/95/39/87/513953987.db2.gz MXLIWPROIFORLL-SECBINFHSA-N -1 3 371.871 2.854 20 30 FFEDHM CCc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c([O-])c1 ZINC000436839646 514003077 /nfs/dbraw/zinc/00/30/77/514003077.db2.gz OTEMVRMWFDTQJU-GOSISDBHSA-N -1 3 363.417 2.752 20 30 FFEDHM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000451840274 514015868 /nfs/dbraw/zinc/01/58/68/514015868.db2.gz PTFUGYMELZIAJG-OCCSQVGLSA-N -1 3 370.858 2.612 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c([O-])c1 ZINC000436958730 514051378 /nfs/dbraw/zinc/05/13/78/514051378.db2.gz JPYAPBKFRAAXAW-INIZCTEOSA-N -1 3 371.824 2.855 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(OCC2CCOCC2)c1 ZINC000416942554 514058502 /nfs/dbraw/zinc/05/85/02/514058502.db2.gz BGOWTVKPHSBCIF-MRXNPFEDSA-N -1 3 352.456 2.844 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1ccc(C)c(C)c1 ZINC000443895823 514065929 /nfs/dbraw/zinc/06/59/29/514065929.db2.gz KQTGRFPUMKNFAZ-SFHVURJKSA-N -1 3 372.446 2.676 20 30 FFEDHM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1cncc(F)c1 ZINC000437299288 514133865 /nfs/dbraw/zinc/13/38/65/514133865.db2.gz SAHDVANWHNBHMB-UHFFFAOYSA-N -1 3 358.316 2.570 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(F)c(C#N)c2)CCCCC1 ZINC000427190645 514144715 /nfs/dbraw/zinc/14/47/15/514144715.db2.gz CXJQWVLEYCPJLL-UHFFFAOYSA-N -1 3 354.403 2.563 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000452028511 514145833 /nfs/dbraw/zinc/14/58/33/514145833.db2.gz HLNWFUTXSPWDBS-VIFPVBQESA-N -1 3 368.680 2.708 20 30 FFEDHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C#N)cc3)cccc21 ZINC000432482588 514206463 /nfs/dbraw/zinc/20/64/63/514206463.db2.gz HEAAVLCHHBTLSZ-QGZVFWFLSA-N -1 3 357.435 2.744 20 30 FFEDHM N#Cc1csc(CN[C@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000417570400 514412451 /nfs/dbraw/zinc/41/24/51/514412451.db2.gz WJCCRPHLCRGPCM-MRXNPFEDSA-N -1 3 362.476 2.975 20 30 FFEDHM C=CCOc1cccc(NC(=O)C(=O)[N-]c2sccc2C(=O)OC)c1 ZINC000438652038 514420273 /nfs/dbraw/zinc/42/02/73/514420273.db2.gz WIMOXOCHGMUUEX-UHFFFAOYSA-N -1 3 360.391 2.677 20 30 FFEDHM Cc1cc(Cl)ccc1OCCC[N-]S(=O)(=O)c1cccnc1C#N ZINC000428257309 514434599 /nfs/dbraw/zinc/43/45/99/514434599.db2.gz ARCGPRFZVIHWFZ-UHFFFAOYSA-N -1 3 365.842 2.663 20 30 FFEDHM CC(C)COc1ccc(CC[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428261564 514435913 /nfs/dbraw/zinc/43/59/13/514435913.db2.gz UWPYTYRAROJWNH-UHFFFAOYSA-N -1 3 359.451 2.509 20 30 FFEDHM Cc1cccc(O[C@H]2CCCC[C@@H]2[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428373135 514459894 /nfs/dbraw/zinc/45/98/94/514459894.db2.gz KOYPIAUCAVLIIS-WMZOPIPTSA-N -1 3 371.462 2.930 20 30 FFEDHM Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428383218 514462640 /nfs/dbraw/zinc/46/26/40/514462640.db2.gz UPAQUNNEWCFWBY-MAUKXSAKSA-N -1 3 371.462 2.930 20 30 FFEDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000445706592 514507781 /nfs/dbraw/zinc/50/77/81/514507781.db2.gz FZQLQPCAPPGAAG-JTQLQIEISA-N -1 3 365.333 2.722 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484278417 514615751 /nfs/dbraw/zinc/61/57/51/514615751.db2.gz UIPZQMDWRVPRSS-UHFFFAOYSA-N -1 3 353.328 2.950 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000475792898 514811404 /nfs/dbraw/zinc/81/14/04/514811404.db2.gz XCTSXDAXTSPJLU-UHFFFAOYSA-N -1 3 350.783 2.936 20 30 FFEDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476186369 514939847 /nfs/dbraw/zinc/93/98/47/514939847.db2.gz DVBBDWXWJISVBZ-ZDUSSCGKSA-N -1 3 368.842 2.731 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c(C(F)(F)F)c1 ZINC000480440330 514959877 /nfs/dbraw/zinc/95/98/77/514959877.db2.gz ONWBPOHATYHKQK-UHFFFAOYSA-N -1 3 354.300 2.901 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1cccs1 ZINC000489850630 514998975 /nfs/dbraw/zinc/99/89/75/514998975.db2.gz NMEXTARZHTZFSR-HNNXBMFYSA-N -1 3 368.455 2.797 20 30 FFEDHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000509103589 515024637 /nfs/dbraw/zinc/02/46/37/515024637.db2.gz OXKDVMPHOHAKNS-CYBMUJFWSA-N -1 3 373.434 2.587 20 30 FFEDHM C=CCCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000476448868 515053639 /nfs/dbraw/zinc/05/36/39/515053639.db2.gz VSDQHKGWHAXEHY-UHFFFAOYSA-N -1 3 362.904 2.542 20 30 FFEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000456396899 515155266 /nfs/dbraw/zinc/15/52/66/515155266.db2.gz YDPCMCVDSVXSQC-UHFFFAOYSA-N -1 3 353.422 2.888 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)Oc1ccccc1 ZINC000481028212 515178823 /nfs/dbraw/zinc/17/88/23/515178823.db2.gz WMRDFRXLGLZGSD-UHFFFAOYSA-N -1 3 362.426 2.974 20 30 FFEDHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000485837522 515209294 /nfs/dbraw/zinc/20/92/94/515209294.db2.gz CALQYLNUXDEDPN-NSHDSACASA-N -1 3 362.407 2.540 20 30 FFEDHM N#CCCCCS(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl ZINC000481461832 515335863 /nfs/dbraw/zinc/33/58/63/515335863.db2.gz BQJHJIXMHFONCG-GFCCVEGCSA-N -1 3 351.255 2.640 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C#N)c(F)c1 ZINC000456828844 515447942 /nfs/dbraw/zinc/44/79/42/515447942.db2.gz DRNXBEMNMMMWFE-UHFFFAOYSA-N -1 3 352.369 2.536 20 30 FFEDHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccco1 ZINC000510396875 515527056 /nfs/dbraw/zinc/52/70/56/515527056.db2.gz UQLFIJGZHPUXIJ-YPMHNXCESA-N -1 3 353.469 2.620 20 30 FFEDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cccc(C(F)(F)F)c1F ZINC000482205210 515606098 /nfs/dbraw/zinc/60/60/98/515606098.db2.gz FIPHFTOKDBNQPV-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cccc(C(F)(F)F)c1F ZINC000482205210 515606104 /nfs/dbraw/zinc/60/61/04/515606104.db2.gz FIPHFTOKDBNQPV-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc(C(F)(F)F)c1F ZINC000482205210 515606109 /nfs/dbraw/zinc/60/61/09/515606109.db2.gz FIPHFTOKDBNQPV-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000510734091 515651572 /nfs/dbraw/zinc/65/15/72/515651572.db2.gz UBWBEQXOZZHPQS-SOLBZPMBSA-N -1 3 371.462 2.583 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1F ZINC000505933105 515729275 /nfs/dbraw/zinc/72/92/75/515729275.db2.gz FNXMWOVWIPZUNL-UHFFFAOYSA-N -1 3 367.789 2.975 20 30 FFEDHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000487119597 515766541 /nfs/dbraw/zinc/76/65/41/515766541.db2.gz NFZOHTTUFYJYFH-NSHDSACASA-N -1 3 369.368 2.882 20 30 FFEDHM Cc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)nn1-c1cccc(C#N)c1 ZINC000506210178 515817023 /nfs/dbraw/zinc/81/70/23/515817023.db2.gz YNPKYLYWMUZWQK-UHFFFAOYSA-N -1 3 369.388 2.512 20 30 FFEDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000494423751 515838559 /nfs/dbraw/zinc/83/85/59/515838559.db2.gz URIWBGKLGBSVGH-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM Cn1[n-]c(=NC(=O)c2cn(CCCC#N)c3ccccc23)cc1OC(F)F ZINC000469815756 515979942 /nfs/dbraw/zinc/97/99/42/515979942.db2.gz ADNZJSHUUBUGQX-UHFFFAOYSA-N -1 3 373.363 2.954 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000470348147 516213668 /nfs/dbraw/zinc/21/36/68/516213668.db2.gz YNFHMSHKWNXLAM-UHFFFAOYSA-N -1 3 369.469 2.888 20 30 FFEDHM N#Cc1ccc(O[C@@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)nc1 ZINC000561102772 516380590 /nfs/dbraw/zinc/38/05/90/516380590.db2.gz YJOCVRUZDBYHMN-MRXNPFEDSA-N -1 3 369.396 2.801 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCCC2)c1 ZINC000528479419 516469146 /nfs/dbraw/zinc/46/91/46/516469146.db2.gz VLOOPOBNNAIOGT-OAHLLOKOSA-N -1 3 367.902 2.897 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCC1 ZINC000513152272 516493608 /nfs/dbraw/zinc/49/36/08/516493608.db2.gz AZGWIMIAFLQMBU-UHFFFAOYSA-N -1 3 351.428 2.961 20 30 FFEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C2CC2)cn1 ZINC000528590211 516551251 /nfs/dbraw/zinc/55/12/51/516551251.db2.gz JASMGRKSEGRELC-QGZVFWFLSA-N -1 3 361.398 2.531 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNCc3cc(C#N)cs3)c2)[n-]1 ZINC000561974486 516856711 /nfs/dbraw/zinc/85/67/11/516856711.db2.gz BPKUJZPOMUTDKK-UHFFFAOYSA-N -1 3 367.434 2.871 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNCc3cc(C#N)cs3)c2)n[n-]1 ZINC000561974486 516856721 /nfs/dbraw/zinc/85/67/21/516856721.db2.gz BPKUJZPOMUTDKK-UHFFFAOYSA-N -1 3 367.434 2.871 20 30 FFEDHM CCOC(=O)c1n[n-]c(-c2cccc(CNCc3cc(C#N)cs3)c2)n1 ZINC000561974486 516856728 /nfs/dbraw/zinc/85/67/28/516856728.db2.gz BPKUJZPOMUTDKK-UHFFFAOYSA-N -1 3 367.434 2.871 20 30 FFEDHM Cc1ccccc1C(C)(C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000555413569 516915853 /nfs/dbraw/zinc/91/58/53/516915853.db2.gz SZZVVWMBPAZQHD-UHFFFAOYSA-N -1 3 359.407 2.989 20 30 FFEDHM CC[C@@](C)(C#N)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000544894319 516979070 /nfs/dbraw/zinc/97/90/70/516979070.db2.gz PDOYMPHRJZRHRZ-SFHVURJKSA-N -1 3 372.450 2.760 20 30 FFEDHM COc1cc(=NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)[n-]n1C ZINC000548499808 517019366 /nfs/dbraw/zinc/01/93/66/517019366.db2.gz ZYEOGRDXEGKVNS-UHFFFAOYSA-N -1 3 361.405 2.711 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000537183696 517073211 /nfs/dbraw/zinc/07/32/11/517073211.db2.gz MFQUFVCNCNCUNT-PIGZYNQJSA-N -1 3 366.389 2.891 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2cn3ccc(Br)cc3n2)nc(C)n1 ZINC000552243804 517158676 /nfs/dbraw/zinc/15/86/76/517158676.db2.gz LYDVFCXGYCURTM-LBPRGKRZSA-N -1 3 370.210 2.994 20 30 FFEDHM Cc1ncc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000555947340 517199505 /nfs/dbraw/zinc/19/95/05/517199505.db2.gz MSYCTSXDLUJINO-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000555947819 517200506 /nfs/dbraw/zinc/20/05/06/517200506.db2.gz CQVMCMMRTTWULC-UHFFFAOYSA-N -1 3 357.254 2.861 20 30 FFEDHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000559836257 517447666 /nfs/dbraw/zinc/44/76/66/517447666.db2.gz JKJNTDSJUIEQKB-QFIPXVFZSA-N -1 3 368.867 2.891 20 30 FFEDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000533554124 517523845 /nfs/dbraw/zinc/52/38/45/517523845.db2.gz YONSWMPEXBAQIQ-HNNXBMFYSA-N -1 3 350.827 2.532 20 30 FFEDHM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2cscn2)CC1 ZINC000563053162 517618123 /nfs/dbraw/zinc/61/81/23/517618123.db2.gz VYGLSAFBJLPEIK-UHFFFAOYSA-N -1 3 363.464 2.683 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CCC3CC3)no2)ccc1F ZINC000547238882 518032447 /nfs/dbraw/zinc/03/24/47/518032447.db2.gz PCHNRSXOVPHXFW-UHFFFAOYSA-N -1 3 351.403 2.683 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000563725822 518092945 /nfs/dbraw/zinc/09/29/45/518092945.db2.gz ODOBNHMSJGJEOX-QGHHPUGFSA-N -1 3 364.373 2.778 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cccc4[n-]nnc43)CC2)c(F)c1 ZINC000517410389 518142408 /nfs/dbraw/zinc/14/24/08/518142408.db2.gz OPAKNZRRFHJANM-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cccc4nn[n-]c43)CC2)c(F)c1 ZINC000517410389 518142415 /nfs/dbraw/zinc/14/24/15/518142415.db2.gz OPAKNZRRFHJANM-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cccc4n[n-]nc43)CC2)c(F)c1 ZINC000517410389 518142418 /nfs/dbraw/zinc/14/24/18/518142418.db2.gz OPAKNZRRFHJANM-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000581381257 518258942 /nfs/dbraw/zinc/25/89/42/518258942.db2.gz VVGOTLVSUQQHBQ-MRVPVSSYSA-N -1 3 365.224 2.567 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000581885598 518485831 /nfs/dbraw/zinc/48/58/31/518485831.db2.gz FQOAHLRUSOQGRT-CRAIPNDOSA-N -1 3 357.454 2.626 20 30 FFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc(Cl)c1-n1cncn1 ZINC000576812761 518774344 /nfs/dbraw/zinc/77/43/44/518774344.db2.gz JGZOWHVKJNWMSK-UHFFFAOYSA-N -1 3 353.835 2.602 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)OCCc2sccc21 ZINC000571248845 518999220 /nfs/dbraw/zinc/99/92/20/518999220.db2.gz YCHZOVYXDGGNMS-MRXNPFEDSA-N -1 3 366.439 2.525 20 30 FFEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000589553588 519028862 /nfs/dbraw/zinc/02/88/62/519028862.db2.gz NVLDEWLPXBEJDQ-UHFFFAOYSA-N -1 3 365.377 2.701 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)CCc1ccccc1Br ZINC000589657435 519059071 /nfs/dbraw/zinc/05/90/71/519059071.db2.gz DCWFDDKALOBRIT-CYBMUJFWSA-N -1 3 359.289 2.849 20 30 FFEDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000571485140 519117438 /nfs/dbraw/zinc/11/74/38/519117438.db2.gz FKOLRBHQEFSGKB-CQSZACIVSA-N -1 3 362.838 2.802 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000612377627 519928043 /nfs/dbraw/zinc/92/80/43/519928043.db2.gz PYGSBPOEAHAWNG-HNNXBMFYSA-N -1 3 352.232 2.990 20 30 FFEDHM N#CCCCC[C@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000594455903 519975426 /nfs/dbraw/zinc/97/54/26/519975426.db2.gz FHSVWNFKGGDOOE-KRWDZBQOSA-N -1 3 372.469 2.804 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594473522 519984125 /nfs/dbraw/zinc/98/41/25/519984125.db2.gz LACFIDYFPWMPNZ-ZBFHGGJFSA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594485155 519994670 /nfs/dbraw/zinc/99/46/70/519994670.db2.gz XOOOBCVVYHCKMS-GJZGRUSLSA-N -1 3 353.875 2.507 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1C#N ZINC000594489404 519999044 /nfs/dbraw/zinc/99/90/44/519999044.db2.gz OJHOVULSOKKTJX-JSGCOSHPSA-N -1 3 362.373 2.645 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000594490283 519999798 /nfs/dbraw/zinc/99/97/98/519999798.db2.gz SMAHVWONJMDKJK-JSGCOSHPSA-N -1 3 362.373 2.531 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000591816933 520049039 /nfs/dbraw/zinc/04/90/39/520049039.db2.gz FFMFCDNPCOSHAQ-CMPLNLGQSA-N -1 3 373.272 2.818 20 30 FFEDHM N#C[C@@]1([N-]S(=O)(=O)CCc2ccc(F)cc2)CCc2ccccc2C1 ZINC000594722259 520112557 /nfs/dbraw/zinc/11/25/57/520112557.db2.gz HCMPMWKBSXKEDC-LJQANCHMSA-N -1 3 358.438 2.739 20 30 FFEDHM Cc1cccc2c1C[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CO2 ZINC000600211735 520129069 /nfs/dbraw/zinc/12/90/69/520129069.db2.gz SPKCVRCORLFCQY-HNNXBMFYSA-N -1 3 365.433 2.637 20 30 FFEDHM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594757615 520139391 /nfs/dbraw/zinc/13/93/91/520139391.db2.gz IFYQNXWPUNZJIS-QMTHXVAHSA-N -1 3 352.481 2.767 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CO)CC(C)C ZINC000594761848 520140497 /nfs/dbraw/zinc/14/04/97/520140497.db2.gz KLHPMCJLSWQXRV-ZDUSSCGKSA-N -1 3 352.481 2.767 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC1(O)CCCC1 ZINC000594762265 520142181 /nfs/dbraw/zinc/14/21/81/520142181.db2.gz NDWBGSCMCIDWNI-UHFFFAOYSA-N -1 3 350.465 2.665 20 30 FFEDHM CC(=O)Nc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000600233415 520142275 /nfs/dbraw/zinc/14/22/75/520142275.db2.gz YWSUJLCEDSERJU-UHFFFAOYSA-N -1 3 352.394 2.805 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1 ZINC000594783131 520156122 /nfs/dbraw/zinc/15/61/22/520156122.db2.gz GGMREOBHRCEVHC-UONOGXRCSA-N -1 3 364.492 2.911 20 30 FFEDHM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2)c(F)c1 ZINC000594853961 520190446 /nfs/dbraw/zinc/19/04/46/520190446.db2.gz BOHCHSYUGWVTSZ-ZDUSSCGKSA-N -1 3 369.437 2.522 20 30 FFEDHM N#CC[C@@]1(O)CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000592149800 520225588 /nfs/dbraw/zinc/22/55/88/520225588.db2.gz WPRDNDJSMUFZMY-LJQANCHMSA-N -1 3 366.446 2.914 20 30 FFEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3cc(C#N)ccc32)cc1 ZINC000597774544 520228019 /nfs/dbraw/zinc/22/80/19/520228019.db2.gz AGFCYZJXNYIIBF-UHFFFAOYSA-N -1 3 369.446 2.913 20 30 FFEDHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000603375518 520239003 /nfs/dbraw/zinc/23/90/03/520239003.db2.gz GQULGVUYBLGDMG-UHFFFAOYSA-N -1 3 351.403 2.737 20 30 FFEDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000595352981 520423961 /nfs/dbraw/zinc/42/39/61/520423961.db2.gz HCWXNSKBSYTMIQ-ZWKOTPCHSA-N -1 3 362.426 2.734 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(Cc2cccs2)C1 ZINC000600763941 520454684 /nfs/dbraw/zinc/45/46/84/520454684.db2.gz PAOVGGZNFXPVPR-UHFFFAOYSA-N -1 3 355.463 2.971 20 30 FFEDHM C=CCCC1(CNC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000617417062 520486242 /nfs/dbraw/zinc/48/62/42/520486242.db2.gz JORIVSPHOXCVBH-FQEVSTJZSA-N -1 3 369.465 2.998 20 30 FFEDHM N#CC1(NC(=O)c2ccc([O-])c(F)c2)CCN(Cc2ccccc2)CC1 ZINC000613524581 520544165 /nfs/dbraw/zinc/54/41/65/520544165.db2.gz SEQVZSNUMLHWDU-UHFFFAOYSA-N -1 3 353.397 2.819 20 30 FFEDHM C[C@@]1(C#N)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000598411841 520602987 /nfs/dbraw/zinc/60/29/87/520602987.db2.gz KCHXLAXZOJVNRM-INIZCTEOSA-N -1 3 360.211 2.666 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCO)c1ccccc1F ZINC000592880235 520630370 /nfs/dbraw/zinc/63/03/70/520630370.db2.gz FPEMNTFWDUJJMH-GOSISDBHSA-N -1 3 371.412 2.587 20 30 FFEDHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613926174 520729983 /nfs/dbraw/zinc/72/99/83/520729983.db2.gz ULZCKHIUXZBEFR-LRDDRELGSA-N -1 3 364.854 2.655 20 30 FFEDHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613926176 520730985 /nfs/dbraw/zinc/73/09/85/520730985.db2.gz ULZCKHIUXZBEFR-WBMJQRKESA-N -1 3 364.854 2.655 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2([C@@H]3CCCCO3)CCC2)c(F)c1 ZINC000601521313 520823052 /nfs/dbraw/zinc/82/30/52/520823052.db2.gz XBCPIVNGEBWZNQ-INIZCTEOSA-N -1 3 352.431 2.715 20 30 FFEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)CC[C@H](C)C4)nn2c1 ZINC000598799807 520848378 /nfs/dbraw/zinc/84/83/78/520848378.db2.gz JVRZYGGXZZCGST-VIFPVBQESA-N -1 3 352.423 2.743 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)cn1CC1CC1 ZINC000596043653 520874231 /nfs/dbraw/zinc/87/42/31/520874231.db2.gz BIHCQMKELZAYPY-GUYCJALGSA-N -1 3 350.488 2.606 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)nc2)nc(C)n1 ZINC000593450179 520999052 /nfs/dbraw/zinc/99/90/52/520999052.db2.gz GXZSYDMOPBIJNV-AWEZNQCLSA-N -1 3 352.394 2.934 20 30 FFEDHM O=C(CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[N-]CC(F)(F)F ZINC000618449709 521070538 /nfs/dbraw/zinc/07/05/38/521070538.db2.gz IMWNTLZCPAXKDW-BQBZGAKWSA-N -1 3 360.220 2.728 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1nc2ccccc2n1C1CC1 ZINC000593576948 521088618 /nfs/dbraw/zinc/08/86/18/521088618.db2.gz VWQBUYPJTBEMJS-UHFFFAOYSA-N -1 3 358.448 2.783 20 30 FFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593620266 521111375 /nfs/dbraw/zinc/11/13/75/521111375.db2.gz HSLVFPOKVRQPJI-UHFFFAOYSA-N -1 3 373.272 2.820 20 30 FFEDHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000611511458 521194197 /nfs/dbraw/zinc/19/41/97/521194197.db2.gz QWRCJJUNCYDRQG-LLVKDONJSA-N -1 3 362.407 2.540 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)c(Cl)c1 ZINC000611539166 521209676 /nfs/dbraw/zinc/20/96/76/521209676.db2.gz HCJGBFXIONTRKJ-CQSZACIVSA-N -1 3 372.780 2.502 20 30 FFEDHM CC(C)(C)c1csc([N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)c1C#N ZINC000602351623 521295944 /nfs/dbraw/zinc/29/59/44/521295944.db2.gz WZKHSQUENVKLPN-LLVKDONJSA-N -1 3 359.455 2.798 20 30 FFEDHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C2 ZINC000612144103 521505455 /nfs/dbraw/zinc/50/54/55/521505455.db2.gz USKLUOVYSZVZOF-HNNXBMFYSA-N -1 3 360.410 2.542 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000612172597 521517645 /nfs/dbraw/zinc/51/76/45/521517645.db2.gz AZXRGPGHNLLQMW-GFCCVEGCSA-N -1 3 370.764 2.902 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000615748420 521520583 /nfs/dbraw/zinc/52/05/83/521520583.db2.gz HGQBOTSRSWETTD-JSGCOSHPSA-N -1 3 374.890 2.970 20 30 FFEDHM C=CCCC(C)(C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000620861632 522487828 /nfs/dbraw/zinc/48/78/28/522487828.db2.gz VJPPYCVXGQOMSI-UHFFFAOYSA-N -1 3 350.893 2.541 20 30 FFEDHM C=CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])[C@@H]2CCCO2)cc1OC ZINC000630466390 522865670 /nfs/dbraw/zinc/86/56/70/522865670.db2.gz ZRBKZXBFKXPKOS-DZGCQCFKSA-N -1 3 355.818 2.635 20 30 FFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473846028 538802820 /nfs/dbraw/zinc/80/28/20/538802820.db2.gz HNUHTDBHXFCWOL-MRXNPFEDSA-N -1 3 356.430 2.560 20 30 FFEDHM Cn1[n-]c(=NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1OC(F)F ZINC000490966001 561441173 /nfs/dbraw/zinc/44/11/73/561441173.db2.gz AAJJLPYMMSSVFG-UHFFFAOYSA-N -1 3 350.325 2.689 20 30 FFEDHM CC(C)c1cccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000735931724 598917494 /nfs/dbraw/zinc/91/74/94/598917494.db2.gz CTWCWNJAUVYBRO-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM CC(C)c1cccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000735931724 598917496 /nfs/dbraw/zinc/91/74/96/598917496.db2.gz CTWCWNJAUVYBRO-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM CSCc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737180550 598920227 /nfs/dbraw/zinc/92/02/27/598920227.db2.gz CKSSSWGDHMVSMT-UHFFFAOYSA-N -1 3 350.407 2.854 20 30 FFEDHM CSCc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737180550 598920229 /nfs/dbraw/zinc/92/02/29/598920229.db2.gz CKSSSWGDHMVSMT-UHFFFAOYSA-N -1 3 350.407 2.854 20 30 FFEDHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736058367 598925319 /nfs/dbraw/zinc/92/53/19/598925319.db2.gz LNNDEPCKCWZYTB-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736058367 598925321 /nfs/dbraw/zinc/92/53/21/598925321.db2.gz LNNDEPCKCWZYTB-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737141643 598926916 /nfs/dbraw/zinc/92/69/16/598926916.db2.gz JAJMSQSPIWFUTF-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737141643 598926917 /nfs/dbraw/zinc/92/69/17/598926917.db2.gz JAJMSQSPIWFUTF-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737464704 598926952 /nfs/dbraw/zinc/92/69/52/598926952.db2.gz VONOIZWAAYPNTA-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737464704 598926953 /nfs/dbraw/zinc/92/69/53/598926953.db2.gz VONOIZWAAYPNTA-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Fc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCS2 ZINC000822783001 607254813 /nfs/dbraw/zinc/25/48/13/607254813.db2.gz POXQKJSBLLOWOV-UHFFFAOYSA-N -1 3 354.414 2.996 20 30 FFEDHM Fc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCS2 ZINC000822783001 607254814 /nfs/dbraw/zinc/25/48/14/607254814.db2.gz POXQKJSBLLOWOV-UHFFFAOYSA-N -1 3 354.414 2.996 20 30 FFEDHM C[C@@H](Sc1ccccc1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736190300 599109259 /nfs/dbraw/zinc/10/92/59/599109259.db2.gz CRUYUNLAHXIBEZ-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1ccccc1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736190300 599109262 /nfs/dbraw/zinc/10/92/62/599109262.db2.gz CRUYUNLAHXIBEZ-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409862 599147300 /nfs/dbraw/zinc/14/73/00/599147300.db2.gz NCBXBSPKQQJIFK-GUYCJALGSA-N -1 3 363.425 2.939 20 30 FFEDHM C=CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409862 599147301 /nfs/dbraw/zinc/14/73/01/599147301.db2.gz NCBXBSPKQQJIFK-GUYCJALGSA-N -1 3 363.425 2.939 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1-c1nnn[n-]1 ZINC000737706753 599198088 /nfs/dbraw/zinc/19/80/88/599198088.db2.gz YUZKKEGTGOIXIX-KGLIPLIRSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1-c1nn[n-]n1 ZINC000737706753 599198089 /nfs/dbraw/zinc/19/80/89/599198089.db2.gz YUZKKEGTGOIXIX-KGLIPLIRSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000737715669 599200345 /nfs/dbraw/zinc/20/03/45/599200345.db2.gz DGJZVRDQCUDBIS-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000737715669 599200347 /nfs/dbraw/zinc/20/03/47/599200347.db2.gz DGJZVRDQCUDBIS-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM Cc1c(NC(=O)NCc2ccc(C#N)cc2F)cccc1-c1nnn[n-]1 ZINC000822102443 607280991 /nfs/dbraw/zinc/28/09/91/607280991.db2.gz AFTJGOIZAGRPHJ-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM Cc1c(NC(=O)NCc2ccc(C#N)cc2F)cccc1-c1nn[n-]n1 ZINC000822102443 607280992 /nfs/dbraw/zinc/28/09/92/607280992.db2.gz AFTJGOIZAGRPHJ-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820379584 599278578 /nfs/dbraw/zinc/27/85/78/599278578.db2.gz DQTAKSXSYXLREW-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820379584 599278579 /nfs/dbraw/zinc/27/85/79/599278579.db2.gz DQTAKSXSYXLREW-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](C#N)CNN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819855590 607325494 /nfs/dbraw/zinc/32/54/94/607325494.db2.gz FJTRHDUIOQUEKL-AWEZNQCLSA-N -1 3 361.409 2.529 20 30 FFEDHM C[C@@H](C#N)CNN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819855590 607325495 /nfs/dbraw/zinc/32/54/95/607325495.db2.gz FJTRHDUIOQUEKL-AWEZNQCLSA-N -1 3 361.409 2.529 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736336732 598239063 /nfs/dbraw/zinc/23/90/63/598239063.db2.gz HANYVQQJDLYVFD-CQSZACIVSA-N -1 3 370.457 2.812 20 30 FFEDHM C=CCN(CC[S@](=O)c1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418838 598245584 /nfs/dbraw/zinc/24/55/84/598245584.db2.gz JVBHUADPMVRNJI-SANMLTNESA-N -1 3 367.478 2.663 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)n1cccc1 ZINC000735420733 598257662 /nfs/dbraw/zinc/25/76/62/598257662.db2.gz RKCDOGOPZODPRO-HNNXBMFYSA-N -1 3 350.426 2.834 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)n1cccc1 ZINC000735420733 598257663 /nfs/dbraw/zinc/25/76/63/598257663.db2.gz RKCDOGOPZODPRO-HNNXBMFYSA-N -1 3 350.426 2.834 20 30 FFEDHM N#Cc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737719643 598320736 /nfs/dbraw/zinc/32/07/36/598320736.db2.gz UAKCBVZDQOZMES-UHFFFAOYSA-N -1 3 369.841 2.878 20 30 FFEDHM N#Cc1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737719643 598320737 /nfs/dbraw/zinc/32/07/37/598320737.db2.gz UAKCBVZDQOZMES-UHFFFAOYSA-N -1 3 369.841 2.878 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1O ZINC000737081583 598378275 /nfs/dbraw/zinc/37/82/75/598378275.db2.gz PDYBDMYVDNSZTO-ALCCZGGFSA-N -1 3 365.393 2.533 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1O ZINC000737081583 598378277 /nfs/dbraw/zinc/37/82/77/598378277.db2.gz PDYBDMYVDNSZTO-ALCCZGGFSA-N -1 3 365.393 2.533 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000736191209 598489442 /nfs/dbraw/zinc/48/94/42/598489442.db2.gz YFEJZWXZUOKBOD-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000736191209 598489444 /nfs/dbraw/zinc/48/94/44/598489444.db2.gz YFEJZWXZUOKBOD-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000736191207 598489780 /nfs/dbraw/zinc/48/97/80/598489780.db2.gz YFEJZWXZUOKBOD-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000736191207 598489781 /nfs/dbraw/zinc/48/97/81/598489781.db2.gz YFEJZWXZUOKBOD-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735648181 598535443 /nfs/dbraw/zinc/53/54/43/598535443.db2.gz OPFUPAIWBAPOQJ-MRXNPFEDSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735648181 598535445 /nfs/dbraw/zinc/53/54/45/598535445.db2.gz OPFUPAIWBAPOQJ-MRXNPFEDSA-N -1 3 361.409 2.554 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000735443345 598547474 /nfs/dbraw/zinc/54/74/74/598547474.db2.gz TWCMLBGEBQXOAT-UHFFFAOYSA-N -1 3 355.373 2.872 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000735443345 598547476 /nfs/dbraw/zinc/54/74/76/598547476.db2.gz TWCMLBGEBQXOAT-UHFFFAOYSA-N -1 3 355.373 2.872 20 30 FFEDHM C=CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(C)C ZINC000735416694 598559868 /nfs/dbraw/zinc/55/98/68/598559868.db2.gz OTAYKEWPCFASSO-UHFFFAOYSA-N -1 3 352.345 2.896 20 30 FFEDHM C=CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(C)C ZINC000735416694 598559869 /nfs/dbraw/zinc/55/98/69/598559869.db2.gz OTAYKEWPCFASSO-UHFFFAOYSA-N -1 3 352.345 2.896 20 30 FFEDHM CC[C@](C)(C#N)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736312078 598611469 /nfs/dbraw/zinc/61/14/69/598611469.db2.gz FFIPOVIMAHRWIQ-LJQANCHMSA-N -1 3 363.425 2.696 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736115277 598632043 /nfs/dbraw/zinc/63/20/43/598632043.db2.gz GWQMBJQVUWLRDV-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736115277 598632045 /nfs/dbraw/zinc/63/20/45/598632045.db2.gz GWQMBJQVUWLRDV-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735419021 598695422 /nfs/dbraw/zinc/69/54/22/598695422.db2.gz OTGXKUQMBWFXGX-LBPRGKRZSA-N -1 3 361.446 2.828 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735419021 598695424 /nfs/dbraw/zinc/69/54/24/598695424.db2.gz OTGXKUQMBWFXGX-LBPRGKRZSA-N -1 3 361.446 2.828 20 30 FFEDHM CC(=NNc1ccc(Br)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451189 598761342 /nfs/dbraw/zinc/76/13/42/598761342.db2.gz SDTNTNPKKGJQIN-UHFFFAOYSA-N -1 3 358.203 2.860 20 30 FFEDHM CCCCCNC(=S)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000821056603 599334326 /nfs/dbraw/zinc/33/43/26/599334326.db2.gz UDGCOSOXKFEXEF-UHFFFAOYSA-N -1 3 357.487 2.561 20 30 FFEDHM CCCCCNC(=S)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000821056603 599334328 /nfs/dbraw/zinc/33/43/28/599334328.db2.gz UDGCOSOXKFEXEF-UHFFFAOYSA-N -1 3 357.487 2.561 20 30 FFEDHM N#CC1(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000737680115 599373413 /nfs/dbraw/zinc/37/34/13/599373413.db2.gz UYWNSPXMYMVWQX-UHFFFAOYSA-N -1 3 365.422 2.546 20 30 FFEDHM N#CC1(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000737680115 599373418 /nfs/dbraw/zinc/37/34/18/599373418.db2.gz UYWNSPXMYMVWQX-UHFFFAOYSA-N -1 3 365.422 2.546 20 30 FFEDHM Cc1cc(C#N)ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822160874 599384480 /nfs/dbraw/zinc/38/44/80/599384480.db2.gz LNECZFVXRDIZQD-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM Cc1cc(C#N)ccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822160874 599384484 /nfs/dbraw/zinc/38/44/84/599384484.db2.gz LNECZFVXRDIZQD-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820340424 599470550 /nfs/dbraw/zinc/47/05/50/599470550.db2.gz KHJIWVRTWKSVON-ZDUSSCGKSA-N -1 3 361.409 2.641 20 30 FFEDHM C[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820340424 599470552 /nfs/dbraw/zinc/47/05/52/599470552.db2.gz KHJIWVRTWKSVON-ZDUSSCGKSA-N -1 3 361.409 2.641 20 30 FFEDHM N#Cc1cc(F)ccc1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822823621 599478661 /nfs/dbraw/zinc/47/86/61/599478661.db2.gz UVXPPNQXOBALDU-UHFFFAOYSA-N -1 3 363.400 2.594 20 30 FFEDHM N#Cc1cc(F)ccc1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822823621 599478664 /nfs/dbraw/zinc/47/86/64/599478664.db2.gz UVXPPNQXOBALDU-UHFFFAOYSA-N -1 3 363.400 2.594 20 30 FFEDHM N#Cc1ccccc1N1CCCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822842607 599479243 /nfs/dbraw/zinc/47/92/43/599479243.db2.gz PXQUHJNDSZEYNK-UHFFFAOYSA-N -1 3 363.400 2.594 20 30 FFEDHM N#Cc1ccccc1N1CCCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822842607 599479245 /nfs/dbraw/zinc/47/92/45/599479245.db2.gz PXQUHJNDSZEYNK-UHFFFAOYSA-N -1 3 363.400 2.594 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(CC#N)CC1 ZINC000820033296 599625849 /nfs/dbraw/zinc/62/58/49/599625849.db2.gz TZXHSRRZEGIYSC-OAHLLOKOSA-N -1 3 355.398 2.507 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1(CC#N)CC1 ZINC000820033296 599625850 /nfs/dbraw/zinc/62/58/50/599625850.db2.gz TZXHSRRZEGIYSC-OAHLLOKOSA-N -1 3 355.398 2.507 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000822829653 599632970 /nfs/dbraw/zinc/63/29/70/599632970.db2.gz BWDIYHZLBVMVRI-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000822829653 599632971 /nfs/dbraw/zinc/63/29/71/599632971.db2.gz BWDIYHZLBVMVRI-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000819743171 599676772 /nfs/dbraw/zinc/67/67/72/599676772.db2.gz DNPWYRMXLUNLJF-AWEZNQCLSA-N -1 3 372.473 2.768 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000819743171 599676773 /nfs/dbraw/zinc/67/67/73/599676773.db2.gz DNPWYRMXLUNLJF-AWEZNQCLSA-N -1 3 372.473 2.768 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820164181 607396933 /nfs/dbraw/zinc/39/69/33/607396933.db2.gz GIUJYGFRYDHECH-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820164181 607396934 /nfs/dbraw/zinc/39/69/34/607396934.db2.gz GIUJYGFRYDHECH-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826256759 607443786 /nfs/dbraw/zinc/44/37/86/607443786.db2.gz YZGPKGWBNFOESD-UHFFFAOYSA-N -1 3 352.785 2.977 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826256759 607443787 /nfs/dbraw/zinc/44/37/87/607443787.db2.gz YZGPKGWBNFOESD-UHFFFAOYSA-N -1 3 352.785 2.977 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822255024 607463097 /nfs/dbraw/zinc/46/30/97/607463097.db2.gz SOAVAKBQLJHUFK-UHFFFAOYSA-N -1 3 369.429 2.943 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822255024 607463098 /nfs/dbraw/zinc/46/30/98/607463098.db2.gz SOAVAKBQLJHUFK-UHFFFAOYSA-N -1 3 369.429 2.943 20 30 FFEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1CCC(C)C ZINC000826234659 607540165 /nfs/dbraw/zinc/54/01/65/607540165.db2.gz HWOQLPNZKKYKII-UHFFFAOYSA-N -1 3 364.413 2.542 20 30 FFEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1CCC(C)C ZINC000826234659 607540166 /nfs/dbraw/zinc/54/01/66/607540166.db2.gz HWOQLPNZKKYKII-UHFFFAOYSA-N -1 3 364.413 2.542 20 30 FFEDHM COc1cc(OC)cc([C@@H](NCc2ccc(OCC#N)cc2)C(=O)[O-])c1 ZINC000832058333 602170644 /nfs/dbraw/zinc/17/06/44/602170644.db2.gz ZFYMTJXSPKXWJM-GOSISDBHSA-N -1 3 356.378 2.522 20 30 FFEDHM C=CCC[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823894337 607677762 /nfs/dbraw/zinc/67/77/62/607677762.db2.gz NQKVLHWVVOOQCB-INIZCTEOSA-N -1 3 369.450 2.853 20 30 FFEDHM C=CCC[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823894337 607677764 /nfs/dbraw/zinc/67/77/64/607677764.db2.gz NQKVLHWVVOOQCB-INIZCTEOSA-N -1 3 369.450 2.853 20 30 FFEDHM N#CC(C(=O)CC1(NC(=O)[O-])CCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000831066552 604253683 /nfs/dbraw/zinc/25/36/83/604253683.db2.gz XXHHHLLVSWKLBS-SNVBAGLBSA-N -1 3 367.764 2.707 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)CC1 ZINC000823480521 604427030 /nfs/dbraw/zinc/42/70/30/604427030.db2.gz FMRDPCXQMSCOKC-OAHLLOKOSA-N -1 3 374.485 2.855 20 30 FFEDHM C=C(Br)CN[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833367220 604616972 /nfs/dbraw/zinc/61/69/72/604616972.db2.gz JHXULAMXHCMSFW-INIZCTEOSA-N -1 3 353.260 2.604 20 30 FFEDHM Cc1oc(NC(=O)CN[C@@H](CNC(=O)[O-])C2CCCCC2)c(C#N)c1C ZINC000833934266 605665721 /nfs/dbraw/zinc/66/57/21/605665721.db2.gz DPTGDDNKIHWXDO-HNNXBMFYSA-N -1 3 362.430 2.513 20 30 FFEDHM Cc1cccc(C)c1NC(=S)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822294144 606204474 /nfs/dbraw/zinc/20/44/74/606204474.db2.gz SKWFRIYSMVLMIR-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM Cc1cccc(C)c1NC(=S)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822294144 606204477 /nfs/dbraw/zinc/20/44/77/606204477.db2.gz SKWFRIYSMVLMIR-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820017513 606205246 /nfs/dbraw/zinc/20/52/46/606205246.db2.gz YUOSHBAVKQGAAV-OAHLLOKOSA-N -1 3 364.365 2.759 20 30 FFEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820017513 606205248 /nfs/dbraw/zinc/20/52/48/606205248.db2.gz YUOSHBAVKQGAAV-OAHLLOKOSA-N -1 3 364.365 2.759 20 30 FFEDHM Cn1cc(C#N)cc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822668949 606208094 /nfs/dbraw/zinc/20/80/94/606208094.db2.gz DVFBFRGKRQVIGL-UHFFFAOYSA-N -1 3 370.372 2.963 20 30 FFEDHM Cn1cc(C#N)cc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822668949 606208095 /nfs/dbraw/zinc/20/80/95/606208095.db2.gz DVFBFRGKRQVIGL-UHFFFAOYSA-N -1 3 370.372 2.963 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820530215 606344397 /nfs/dbraw/zinc/34/43/97/606344397.db2.gz XYDMUILZABJQCX-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM CC(C)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820087133 606498433 /nfs/dbraw/zinc/49/84/33/606498433.db2.gz LQWBCHOHTFODPP-UHFFFAOYSA-N -1 3 350.373 2.840 20 30 FFEDHM CC(C)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820087133 606498435 /nfs/dbraw/zinc/49/84/35/606498435.db2.gz LQWBCHOHTFODPP-UHFFFAOYSA-N -1 3 350.373 2.840 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(OCC)cn1 ZINC000819745923 606704881 /nfs/dbraw/zinc/70/48/81/606704881.db2.gz VAGXWUBNFUJWEO-UHFFFAOYSA-N -1 3 350.426 2.849 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CCO2 ZINC000821849244 606836153 /nfs/dbraw/zinc/83/61/53/606836153.db2.gz AKCOBNNORRDSLU-UXBLZVDNSA-N -1 3 354.391 2.986 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CCO2 ZINC000821849244 606836155 /nfs/dbraw/zinc/83/61/55/606836155.db2.gz AKCOBNNORRDSLU-UXBLZVDNSA-N -1 3 354.391 2.986 20 30 FFEDHM N#CCCN(CCCOc1cccc(-c2nnn[n-]2)c1)Cc1ccco1 ZINC000822810496 606908010 /nfs/dbraw/zinc/90/80/10/606908010.db2.gz JKZGBQVVHZAJMG-UHFFFAOYSA-N -1 3 352.398 2.644 20 30 FFEDHM N#CCCN(CCCOc1cccc(-c2nn[n-]n2)c1)Cc1ccco1 ZINC000822810496 606908012 /nfs/dbraw/zinc/90/80/12/606908012.db2.gz JKZGBQVVHZAJMG-UHFFFAOYSA-N -1 3 352.398 2.644 20 30 FFEDHM N#Cc1cc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822819061 606993747 /nfs/dbraw/zinc/99/37/47/606993747.db2.gz KABGBGPHUFOLGA-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1cc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822819061 606993748 /nfs/dbraw/zinc/99/37/48/606993748.db2.gz KABGBGPHUFOLGA-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(C#N)ccc1C ZINC000821702442 607031566 /nfs/dbraw/zinc/03/15/66/607031566.db2.gz SYIKAIOJRHSHSI-UHFFFAOYSA-N -1 3 351.366 2.513 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(C#N)ccc1C ZINC000821702442 607031568 /nfs/dbraw/zinc/03/15/68/607031568.db2.gz SYIKAIOJRHSHSI-UHFFFAOYSA-N -1 3 351.366 2.513 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(F)c1 ZINC000822819378 607087954 /nfs/dbraw/zinc/08/79/54/607087954.db2.gz RMUWBCYYYGFVIF-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(F)c1 ZINC000822819378 607087955 /nfs/dbraw/zinc/08/79/55/607087955.db2.gz RMUWBCYYYGFVIF-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822810972 607151676 /nfs/dbraw/zinc/15/16/76/607151676.db2.gz PWDMDTJLZWISJQ-UHFFFAOYSA-N -1 3 369.385 2.717 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822810972 607151679 /nfs/dbraw/zinc/15/16/79/607151679.db2.gz PWDMDTJLZWISJQ-UHFFFAOYSA-N -1 3 369.385 2.717 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1-c1nnn[n-]1 ZINC000824034083 607835626 /nfs/dbraw/zinc/83/56/26/607835626.db2.gz GYJHNUSMIIRGEQ-LBPRGKRZSA-N -1 3 369.429 2.810 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1-c1nn[n-]n1 ZINC000824034083 607835627 /nfs/dbraw/zinc/83/56/27/607835627.db2.gz GYJHNUSMIIRGEQ-LBPRGKRZSA-N -1 3 369.429 2.810 20 30 FFEDHM C=CCc1cc(CN(C)c2ccc(-c3nn[n-]n3)cc2)c(O)c(OC)c1 ZINC000823937229 607845871 /nfs/dbraw/zinc/84/58/71/607845871.db2.gz NGTCCJIYZNQQQE-UHFFFAOYSA-N -1 3 351.410 2.946 20 30 FFEDHM C=CCc1cc(CN(C)c2ccccc2-c2nnn[n-]2)c(O)c(OC)c1 ZINC000823937012 607847147 /nfs/dbraw/zinc/84/71/47/607847147.db2.gz FADCBNRQLHEHBN-UHFFFAOYSA-N -1 3 351.410 2.946 20 30 FFEDHM C=CCc1cc(CN(C)c2ccccc2-c2nn[n-]n2)c(O)c(OC)c1 ZINC000823937012 607847148 /nfs/dbraw/zinc/84/71/48/607847148.db2.gz FADCBNRQLHEHBN-UHFFFAOYSA-N -1 3 351.410 2.946 20 30 FFEDHM CN(Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825999181 607848527 /nfs/dbraw/zinc/84/85/27/607848527.db2.gz PKTBQUIUABEGPS-UHFFFAOYSA-N -1 3 374.383 2.835 20 30 FFEDHM Cn1c(C=NNc2cccc(-c3nnn[n-]3)c2)nc2cc(Cl)ccc21 ZINC000826355302 607886190 /nfs/dbraw/zinc/88/61/90/607886190.db2.gz SLJQLSPZCWZZRX-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM Cn1c(C=NNc2cccc(-c3nn[n-]n3)c2)nc2cc(Cl)ccc21 ZINC000826355302 607886191 /nfs/dbraw/zinc/88/61/91/607886191.db2.gz SLJQLSPZCWZZRX-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM CC(=NO[C@@H]1CCCCO1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823962624 607890086 /nfs/dbraw/zinc/89/00/86/607890086.db2.gz NKVSUUDRMHQTRT-QGZVFWFLSA-N -1 3 367.413 2.628 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826187459 607915640 /nfs/dbraw/zinc/91/56/40/607915640.db2.gz QZXANCKQZGKMCH-XBXARRHUSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826187459 607915641 /nfs/dbraw/zinc/91/56/41/607915641.db2.gz QZXANCKQZGKMCH-XBXARRHUSA-N -1 3 354.341 2.919 20 30 FFEDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000824763629 608070058 /nfs/dbraw/zinc/07/00/58/608070058.db2.gz OHLYHFNNDORADW-AUUYWEPGSA-N -1 3 360.421 2.873 20 30 FFEDHM C[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761979 608070158 /nfs/dbraw/zinc/07/01/58/608070158.db2.gz DRLFFYFLRWQFFW-AUUYWEPGSA-N -1 3 360.421 2.873 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC000826385249 608308805 /nfs/dbraw/zinc/30/88/05/608308805.db2.gz DBNGUUIWEBFEKO-QHHAFSJGSA-N -1 3 355.361 2.872 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC000826385249 608308807 /nfs/dbraw/zinc/30/88/07/608308807.db2.gz DBNGUUIWEBFEKO-QHHAFSJGSA-N -1 3 355.361 2.872 20 30 FFEDHM C#CCCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000823841713 608371560 /nfs/dbraw/zinc/37/15/60/608371560.db2.gz RXIKSLXOISYUKC-UHFFFAOYSA-N -1 3 373.420 2.869 20 30 FFEDHM C#CCCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000823841713 608371561 /nfs/dbraw/zinc/37/15/61/608371561.db2.gz RXIKSLXOISYUKC-UHFFFAOYSA-N -1 3 373.420 2.869 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000823958407 608541531 /nfs/dbraw/zinc/54/15/31/608541531.db2.gz MTKOENCXVJANHP-UHFFFAOYSA-N -1 3 358.749 2.659 20 30 FFEDHM CSc1ccccc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000826231439 609280433 /nfs/dbraw/zinc/28/04/33/609280433.db2.gz LGVNISLXBWEMDT-UHFFFAOYSA-N -1 3 355.452 2.730 20 30 FFEDHM CSc1ccccc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000826231439 609280434 /nfs/dbraw/zinc/28/04/34/609280434.db2.gz LGVNISLXBWEMDT-UHFFFAOYSA-N -1 3 355.452 2.730 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCCc2cccc(F)c2)nc1N ZINC000826383883 609417401 /nfs/dbraw/zinc/41/74/01/609417401.db2.gz WGCSKQVTHGGVPA-UHFFFAOYSA-N -1 3 355.402 2.580 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCCc2cccc(F)c2)nc1N ZINC000826383883 609417404 /nfs/dbraw/zinc/41/74/04/609417404.db2.gz WGCSKQVTHGGVPA-UHFFFAOYSA-N -1 3 355.402 2.580 20 30 FFEDHM CC(CCc1n[nH]c2ccccc12)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824413822 609447315 /nfs/dbraw/zinc/44/73/15/609447315.db2.gz QDBVWCVCSMJYKE-UHFFFAOYSA-N -1 3 360.425 2.841 20 30 FFEDHM CCN1c2ccccc2C(=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)C1=O ZINC000825444820 609470684 /nfs/dbraw/zinc/47/06/84/609470684.db2.gz RVWFEKXXWPOWCP-UHFFFAOYSA-N -1 3 367.800 2.703 20 30 FFEDHM CCN1c2ccccc2C(=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)C1=O ZINC000825444820 609470686 /nfs/dbraw/zinc/47/06/86/609470686.db2.gz RVWFEKXXWPOWCP-UHFFFAOYSA-N -1 3 367.800 2.703 20 30 FFEDHM O=C1Nc2cccc(Cl)c2C1=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826483497 609474502 /nfs/dbraw/zinc/47/45/02/609474502.db2.gz PHFBSRNKXDMHLW-UHFFFAOYSA-N -1 3 374.191 2.942 20 30 FFEDHM O=C1Nc2cccc(Cl)c2C1=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826483497 609474504 /nfs/dbraw/zinc/47/45/04/609474504.db2.gz PHFBSRNKXDMHLW-UHFFFAOYSA-N -1 3 374.191 2.942 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2[C@H](C)CCC[C@H]2C)ccc1F ZINC000097167770 728482415 /nfs/dbraw/zinc/48/24/15/728482415.db2.gz RJGHUPSCMGBSOH-CHWSQXEVSA-N -1 3 368.474 2.845 20 30 FFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000173537674 729049414 /nfs/dbraw/zinc/04/94/14/729049414.db2.gz OAHHREHRUYZZSG-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)nc1 ZINC000179985694 729199908 /nfs/dbraw/zinc/19/99/08/729199908.db2.gz JEWQOTUJOLANNG-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM N#Cc1cccnc1N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862215456 730677064 /nfs/dbraw/zinc/67/70/64/730677064.db2.gz NSWDYKATYMWYSY-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM COC(=O)[C@H](C[C@@H]1CCCOC1)/N=C\c1cc(Br)ccc1[O-] ZINC000864346248 730840632 /nfs/dbraw/zinc/84/06/32/730840632.db2.gz RGDJIZJWXDVPGE-NNAUJZSHSA-N -1 3 370.243 2.932 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)C1 ZINC000867332838 731171333 /nfs/dbraw/zinc/17/13/33/731171333.db2.gz CNHDZIHODOZXFU-IUCAKERBSA-N -1 3 356.860 2.705 20 30 FFEDHM O=C(Nc1ccc(Cl)cc1Br)N[C@@H]1CCCN([O-])C1=O ZINC000878949228 732620964 /nfs/dbraw/zinc/62/09/64/732620964.db2.gz BCGWRIRQPQBMEJ-SNVBAGLBSA-N -1 3 362.611 2.604 20 30 FFEDHM Cc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(Cl)n1 ZINC000881876839 733125365 /nfs/dbraw/zinc/12/53/65/733125365.db2.gz BBSUFYYORBLHIN-UHFFFAOYSA-N -1 3 358.829 2.882 20 30 FFEDHM C=C(CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000673341688 733603479 /nfs/dbraw/zinc/60/34/79/733603479.db2.gz CZJLTOUCAXLGRN-UHFFFAOYSA-N -1 3 370.883 2.509 20 30 FFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(CCC#N)cc2)o1 ZINC000885031749 733613688 /nfs/dbraw/zinc/61/36/88/733613688.db2.gz NYXXYIISEUWVRS-KRWDZBQOSA-N -1 3 362.451 2.964 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(C)C ZINC000726360994 734420979 /nfs/dbraw/zinc/42/09/79/734420979.db2.gz YUJDWKGVYLINSP-CQSZACIVSA-N -1 3 366.483 2.873 20 30 FFEDHM COc1cc(C=NNc2ccc(Br)cn2)c([N+](=O)[O-])cc1[O-] ZINC000727266414 734475373 /nfs/dbraw/zinc/47/53/73/734475373.db2.gz SPXXDWMMHIMLRW-UHFFFAOYSA-N -1 3 367.159 2.913 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1F ZINC000729173455 734564204 /nfs/dbraw/zinc/56/42/04/734564204.db2.gz QMWOXKQFZVBLGY-UHFFFAOYSA-N -1 3 369.805 2.591 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000730732150 734646259 /nfs/dbraw/zinc/64/62/59/734646259.db2.gz CXMIVPRVDSTURB-GIXVCVOKSA-N -1 3 354.328 2.759 20 30 FFEDHM COc1cccc(O)c1C=Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000740763514 735085936 /nfs/dbraw/zinc/08/59/36/735085936.db2.gz KJKSBIBVDZXGIT-UHFFFAOYSA-N -1 3 364.398 2.731 20 30 FFEDHM COC[C@H](C#N)OC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000750807177 735816394 /nfs/dbraw/zinc/81/63/94/735816394.db2.gz BTVUGESQIPGESN-JTQLQIEISA-N -1 3 350.172 2.535 20 30 FFEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2scnc2Br)n1 ZINC000754323084 736147706 /nfs/dbraw/zinc/14/77/06/736147706.db2.gz BOPOLVAGYVCSQG-UHFFFAOYSA-N -1 3 354.233 2.981 20 30 FFEDHM CCCCN([O-])C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000904208437 736233912 /nfs/dbraw/zinc/23/39/12/736233912.db2.gz ZHWPHOXTBHJPCA-RVDMUPIBSA-N -1 3 366.483 2.717 20 30 FFEDHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000759307623 736561492 /nfs/dbraw/zinc/56/14/92/736561492.db2.gz WGNMYGKCYAPBHQ-NSHDSACASA-N -1 3 362.382 2.987 20 30 FFEDHM C#CCN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760913654 736679220 /nfs/dbraw/zinc/67/92/20/736679220.db2.gz LWECXCOPJLYYIS-UHFFFAOYSA-N -1 3 353.603 2.649 20 30 FFEDHM Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000908402899 736771182 /nfs/dbraw/zinc/77/11/82/736771182.db2.gz KKNHRKDVZZEGNQ-ZDUSSCGKSA-N -1 3 363.414 2.676 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750190 736825639 /nfs/dbraw/zinc/82/56/39/736825639.db2.gz BUVQFGVRGBMJPN-STQMWFEESA-N -1 3 371.890 2.780 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1 ZINC000908946884 736862288 /nfs/dbraw/zinc/86/22/88/736862288.db2.gz VSXJIHCSPXKBRH-KRWDZBQOSA-N -1 3 351.491 2.750 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000909000148 736869727 /nfs/dbraw/zinc/86/97/27/736869727.db2.gz GHDNNBKCRVMVCB-IMJJTQAJSA-N -1 3 365.861 2.544 20 30 FFEDHM FC(F)C1CC(=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)C1 ZINC000766007968 737182753 /nfs/dbraw/zinc/18/27/53/737182753.db2.gz PFOUIMWDLXKPNM-MYIOLCAUSA-N -1 3 352.366 2.959 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1C#N ZINC000766525515 737238423 /nfs/dbraw/zinc/23/84/23/737238423.db2.gz PXPXHVUVADLWTE-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM COc1cc(C=NNC(=S)N[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000767032120 737285653 /nfs/dbraw/zinc/28/56/53/737285653.db2.gz ANCJSKNCPZDWFO-PWSUYJOCSA-N -1 3 366.443 2.686 20 30 FFEDHM CCCC[C@H](CC)COC(=O)[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000918493892 737806759 /nfs/dbraw/zinc/80/67/59/737806759.db2.gz JRAHIVGAZMQUKY-KBPBESRZSA-N -1 3 366.483 2.873 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(Br)cs1 ZINC000920382856 737904348 /nfs/dbraw/zinc/90/43/48/737904348.db2.gz BKDYJSHXPSSIPQ-UHFFFAOYSA-N -1 3 359.270 2.964 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000920384608 737904366 /nfs/dbraw/zinc/90/43/66/737904366.db2.gz YZAIHSRVCIMXAB-UHFFFAOYSA-N -1 3 374.853 2.979 20 30 FFEDHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000920554969 737914587 /nfs/dbraw/zinc/91/45/87/737914587.db2.gz PKXMKMXAHPXBSA-SFHVURJKSA-N -1 3 356.447 2.944 20 30 FFEDHM CC(C)(C)[C@H]([N-]S(=O)(=O)CCCCC#N)C(=O)OCc1ccccc1 ZINC000776884928 738242708 /nfs/dbraw/zinc/24/27/08/738242708.db2.gz RQMDUOATYJSKJY-MRXNPFEDSA-N -1 3 366.483 2.758 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000805146344 740945751 /nfs/dbraw/zinc/94/57/51/740945751.db2.gz CDXPKRJXYVOMPK-GFCCVEGCSA-N -1 3 364.345 2.940 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OC2(CC#N)CCC2)cc1 ZINC000810859008 741456369 /nfs/dbraw/zinc/45/63/69/741456369.db2.gz VPOXHLQYJDVXCQ-UHFFFAOYSA-N -1 3 366.439 2.595 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C3CC3)C2)ccc1F ZINC000813843179 741768044 /nfs/dbraw/zinc/76/80/44/741768044.db2.gz IAZKDANJBZTTKJ-HNNXBMFYSA-N -1 3 366.458 2.552 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1conc1Cc1ccccc1 ZINC000814814923 741867463 /nfs/dbraw/zinc/86/74/63/741867463.db2.gz FUDIKWFERNZJSA-UHFFFAOYSA-N -1 3 355.419 2.719 20 30 FFEDHM CCn1nncc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000815907400 741972026 /nfs/dbraw/zinc/97/20/26/741972026.db2.gz ZVZIZLFHXQFHOB-LLVKDONJSA-N -1 3 365.365 2.574 20 30 FFEDHM Cc1cc(Br)cc2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)oc21 ZINC000816756949 742058838 /nfs/dbraw/zinc/05/88/38/742058838.db2.gz IVRHKWJTHXORSP-LLVKDONJSA-N -1 3 367.199 2.614 20 30 FFEDHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816756968 742059227 /nfs/dbraw/zinc/05/92/27/742059227.db2.gz JOJQNFYJVOODJN-LDYMZIIASA-N -1 3 363.266 2.970 20 30 FFEDHM CC(C)c1ccc(-c2nc(CC(=O)N[C@H]3CCN([O-])C3=O)cs2)cc1 ZINC000820120924 742465135 /nfs/dbraw/zinc/46/51/35/742465135.db2.gz UNFBJYGNYFINTE-HNNXBMFYSA-N -1 3 359.451 2.582 20 30 FFEDHM COc1ccc(CNc2ncc(Cl)c(C)c2C#N)cc1-c1nnn[n-]1 ZINC000826204437 743374462 /nfs/dbraw/zinc/37/44/62/743374462.db2.gz KXQDFSGKEPOFIE-UHFFFAOYSA-N -1 3 355.789 2.716 20 30 FFEDHM COc1ccc(CNc2ncc(Cl)c(C)c2C#N)cc1-c1nn[n-]n1 ZINC000826204437 743374469 /nfs/dbraw/zinc/37/44/69/743374469.db2.gz KXQDFSGKEPOFIE-UHFFFAOYSA-N -1 3 355.789 2.716 20 30 FFEDHM Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)c1C#N ZINC001055283782 745065635 /nfs/dbraw/zinc/06/56/35/745065635.db2.gz BWPHAHZRWWZBOK-DFBGVHRSSA-N -1 3 354.435 2.569 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC23CCC(CC2)CC3)ccc1F ZINC000836875944 746323027 /nfs/dbraw/zinc/32/30/27/746323027.db2.gz HILDWUWFGXASLI-UHFFFAOYSA-N -1 3 366.458 2.743 20 30 FFEDHM C=CCO[N-]C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000837042859 746355506 /nfs/dbraw/zinc/35/55/06/746355506.db2.gz GOAUENVNSIYHLF-ZRDIBKRKSA-N -1 3 368.505 2.963 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCC(C)C ZINC000839223045 746803100 /nfs/dbraw/zinc/80/31/00/746803100.db2.gz KWIXNUUOTQFQJS-OAHLLOKOSA-N -1 3 366.483 2.873 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000839444708 746829720 /nfs/dbraw/zinc/82/97/20/746829720.db2.gz JBHHNEQKYZPVON-OCCSQVGLSA-N -1 3 366.414 2.529 20 30 FFEDHM N#CC(C(=O)C=C[C@@H]1CCOC1)=C([O-])c1sccc1Br ZINC000845844636 748335979 /nfs/dbraw/zinc/33/59/79/748335979.db2.gz JTUPOKSZAJUYRH-BSANDHCLSA-N -1 3 354.225 2.995 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000846545075 748499677 /nfs/dbraw/zinc/49/96/77/748499677.db2.gz DSTFCQPVYBEFEK-UKRRQHHQSA-N -1 3 363.483 2.561 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1sc2ccccc2c1Br ZINC000848132132 748850044 /nfs/dbraw/zinc/85/00/44/748850044.db2.gz HTLIVWOJVGJASC-VIFPVBQESA-N -1 3 369.240 2.774 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc2cc(Br)ccc2c1 ZINC000848136542 748851303 /nfs/dbraw/zinc/85/13/03/748851303.db2.gz XWIYTUCSUDLLTQ-AWEZNQCLSA-N -1 3 363.211 2.712 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cnc(-c2ccccc2Cl)s1 ZINC000848137601 748851334 /nfs/dbraw/zinc/85/13/34/748851334.db2.gz CTMSCLZCGPHASD-LLVKDONJSA-N -1 3 351.815 2.574 20 30 FFEDHM C#C[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000848281859 748893093 /nfs/dbraw/zinc/89/30/93/748893093.db2.gz KVQBKXTVOMYAJB-LLVKDONJSA-N -1 3 359.223 2.776 20 30 FFEDHM C#C[C@](C)(CC)N[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000852100186 749773664 /nfs/dbraw/zinc/77/36/64/749773664.db2.gz FXXFFBRIBOMNEG-BBATYDOGSA-N -1 3 361.467 2.922 20 30 FFEDHM C#Cc1cccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000819709893 945273264 /nfs/dbraw/zinc/27/32/64/945273264.db2.gz SUALEVXAETZFAA-UHFFFAOYSA-N -1 3 357.377 2.534 20 30 FFEDHM C#Cc1cccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000819709893 945273275 /nfs/dbraw/zinc/27/32/75/945273275.db2.gz SUALEVXAETZFAA-UHFFFAOYSA-N -1 3 357.377 2.534 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)cc1OC ZINC000893214360 970979246 /nfs/dbraw/zinc/97/92/46/970979246.db2.gz NGBYJRPJCGWWEJ-CLFYSBASSA-N -1 3 367.405 2.748 20 30 FFEDHM CCc1cccc2c(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000736694693 944870026 /nfs/dbraw/zinc/87/00/26/944870026.db2.gz ALBCDWZDCRRVBI-UHFFFAOYSA-N -1 3 371.404 2.963 20 30 FFEDHM CCc1cccc2c(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000736694693 944870030 /nfs/dbraw/zinc/87/00/30/944870030.db2.gz ALBCDWZDCRRVBI-UHFFFAOYSA-N -1 3 371.404 2.963 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000737291417 945032477 /nfs/dbraw/zinc/03/24/77/945032477.db2.gz KXWKHAGMIJXVQU-SFHVURJKSA-N -1 3 373.420 2.654 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000737291417 945032486 /nfs/dbraw/zinc/03/24/86/945032486.db2.gz KXWKHAGMIJXVQU-SFHVURJKSA-N -1 3 373.420 2.654 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820525542 945474945 /nfs/dbraw/zinc/47/49/45/945474945.db2.gz FQSDKXYMOHMDFW-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM Fc1cccc(N2CCCC2)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822791953 946172599 /nfs/dbraw/zinc/17/25/99/946172599.db2.gz OLINZXRZRWDQKQ-UHFFFAOYSA-N -1 3 365.416 2.730 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c1 ZINC001573290938 946912943 /nfs/dbraw/zinc/91/29/43/946912943.db2.gz SVKFPHIENLMJMJ-UHFFFAOYSA-N -1 3 356.389 2.996 20 30 FFEDHM CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825039357 947056584 /nfs/dbraw/zinc/05/65/84/947056584.db2.gz QAVGZJFWMAXBNW-INIZCTEOSA-N -1 3 362.393 2.879 20 30 FFEDHM CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825039357 947056595 /nfs/dbraw/zinc/05/65/95/947056595.db2.gz QAVGZJFWMAXBNW-INIZCTEOSA-N -1 3 362.393 2.879 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001573316768 947282949 /nfs/dbraw/zinc/28/29/49/947282949.db2.gz ZEPFNMNPRWMEKK-IPYPFGDCSA-N -1 3 372.448 2.692 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001573316768 947282961 /nfs/dbraw/zinc/28/29/61/947282961.db2.gz ZEPFNMNPRWMEKK-IPYPFGDCSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CCC(C)(C)C(=O)NC/C=C\CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573318318 947305346 /nfs/dbraw/zinc/30/53/46/947305346.db2.gz AGIUCSLBKUAGND-WAYWQWQTSA-N -1 3 358.421 2.692 20 30 FFEDHM C=CCC(C)(C)C(=O)NC/C=C\CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573318318 947305367 /nfs/dbraw/zinc/30/53/67/947305367.db2.gz AGIUCSLBKUAGND-WAYWQWQTSA-N -1 3 358.421 2.692 20 30 FFEDHM N#Cc1ncn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C#N ZINC000826388150 948191752 /nfs/dbraw/zinc/19/17/52/948191752.db2.gz KFIKJPVUADPKKH-UHFFFAOYSA-N -1 3 352.361 2.522 20 30 FFEDHM N#Cc1ncn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C#N ZINC000826388150 948191758 /nfs/dbraw/zinc/19/17/58/948191758.db2.gz KFIKJPVUADPKKH-UHFFFAOYSA-N -1 3 352.361 2.522 20 30 FFEDHM CC(C)(C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cc(F)cc(C#N)c1 ZINC001573788598 949201786 /nfs/dbraw/zinc/20/17/86/949201786.db2.gz OONKUXIACIPSTF-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cc(F)cc(C#N)c1 ZINC001573788598 949201803 /nfs/dbraw/zinc/20/18/03/949201803.db2.gz OONKUXIACIPSTF-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](CCC(=O)[O-])C3)C2=O)cc1 ZINC001594621010 956281910 /nfs/dbraw/zinc/28/19/10/956281910.db2.gz CSLHBDVJZXXSJY-AEFFLSMTSA-N -1 3 355.438 2.630 20 30 FFEDHM Cc1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000008251470 1013298933 /nfs/dbraw/zinc/29/89/33/1013298933.db2.gz AERINWGBSVMHPD-UHFFFAOYSA-N -1 3 366.417 2.839 20 30 FFEDHM CCN1CCN(c2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2)CC1 ZINC000176828675 968015512 /nfs/dbraw/zinc/01/55/12/968015512.db2.gz SOQSATSSKAMTQQ-UHFFFAOYSA-N -1 3 350.422 2.658 20 30 FFEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000127963968 975683732 /nfs/dbraw/zinc/68/37/32/975683732.db2.gz JCOLNQNATFLWLJ-CQSZACIVSA-N -1 3 353.334 2.955 20 30 FFEDHM C=CC[C@H]1N(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1(C)C ZINC000898814682 976705254 /nfs/dbraw/zinc/70/52/54/976705254.db2.gz WTBARMINNLWCHY-HUUCEWRRSA-N -1 3 359.474 2.537 20 30 FFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001211719173 977426107 /nfs/dbraw/zinc/42/61/07/977426107.db2.gz ADKUKWOYDJNTNT-MRVPVSSYSA-N -1 3 351.653 2.578 20 30 FFEDHM COc1ccc(O)c([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000728984217 978146954 /nfs/dbraw/zinc/14/69/54/978146954.db2.gz NVJBMOREPRHARV-CYBMUJFWSA-N -1 3 369.421 2.800 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccccc1F ZINC000126376341 1014495341 /nfs/dbraw/zinc/49/53/41/1014495341.db2.gz HWPYJUDLMRVKDF-CYBMUJFWSA-N -1 3 363.352 2.676 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnc2nccnc2c1 ZINC000760184331 980186765 /nfs/dbraw/zinc/18/67/65/980186765.db2.gz SVLNVEWEWLNXLE-NSHDSACASA-N -1 3 369.743 2.778 20 30 FFEDHM O=C(c1ccc(C(=O)N2CCOCC2)cc1)N([O-])Cc1ccccc1Cl ZINC000904192401 980211972 /nfs/dbraw/zinc/21/19/72/980211972.db2.gz KQODZTSZXZTDBV-UHFFFAOYSA-N -1 3 374.824 2.844 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908810115 981541806 /nfs/dbraw/zinc/54/18/06/981541806.db2.gz UKZRXQMRHQIJSL-QZTJIDSGSA-N -1 3 359.470 2.542 20 30 FFEDHM CC(=NNCCc1ccccc1F)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000764717412 984656879 /nfs/dbraw/zinc/65/68/79/984656879.db2.gz OAJNJIGIMTYLGC-UHFFFAOYSA-N -1 3 371.456 2.920 20 30 FFEDHM C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[C@H]1C(=O)[O-] ZINC001599927593 985232486 /nfs/dbraw/zinc/23/24/86/985232486.db2.gz FNPBNWGVAYIRFJ-XQQFMLRXSA-N -1 3 357.435 2.515 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]C[C@]2(c3ccccc3)CCCO2)c(F)c1 ZINC000921914259 987334458 /nfs/dbraw/zinc/33/44/58/987334458.db2.gz IIDJYLPAQSKSOV-IBGZPJMESA-N -1 3 374.437 2.823 20 30 FFEDHM CC(=[NH+][N-]c1ccc(-n2ccnc2)nn1)c1ccc(N2CCCC2)cc1[O-] ZINC000761857040 987942357 /nfs/dbraw/zinc/94/23/57/987942357.db2.gz FZMPWTZUVJERDJ-UHFFFAOYSA-N -1 3 363.425 2.804 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC000993376279 988999196 /nfs/dbraw/zinc/99/91/96/988999196.db2.gz RWZSDZNOMWLNCZ-LPTQZCDUSA-N -1 3 356.466 2.915 20 30 FFEDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(C#N)c(Cl)n2)c1F ZINC001128553040 989351846 /nfs/dbraw/zinc/35/18/46/989351846.db2.gz GOYFOYCIPUDFJP-UHFFFAOYSA-N -1 3 351.696 2.924 20 30 FFEDHM CN(Cc1ccccc1NC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000879422218 1015524625 /nfs/dbraw/zinc/52/46/25/1015524625.db2.gz WOYNYAIKGFGGLW-GOSISDBHSA-N -1 3 368.437 2.825 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)n[n-]2)o1 ZINC000919325059 990613476 /nfs/dbraw/zinc/61/34/76/990613476.db2.gz LAGYCRLZUBUNSF-CYBMUJFWSA-N -1 3 370.409 2.866 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)[n-]n2)o1 ZINC000919325059 990613480 /nfs/dbraw/zinc/61/34/80/990613480.db2.gz LAGYCRLZUBUNSF-CYBMUJFWSA-N -1 3 370.409 2.866 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000175121875 991158948 /nfs/dbraw/zinc/15/89/48/991158948.db2.gz UEFSBGGYLOBVFI-NSHDSACASA-N -1 3 367.315 2.507 20 30 FFEDHM C=CCc1cc(C/N=C/c2c([O-])c(C)ncc2CO)cc(OC)c1OC ZINC000747613048 994840082 /nfs/dbraw/zinc/84/00/82/994840082.db2.gz PXQGGMPCVDUYJN-SRZZPIQSSA-N -1 3 356.422 2.953 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000811185009 995051000 /nfs/dbraw/zinc/05/10/00/995051000.db2.gz WSPRSCBTQDWWJQ-LQZXRHCMSA-N -1 3 369.421 2.740 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000811186791 995051985 /nfs/dbraw/zinc/05/19/85/995051985.db2.gz YNYONUVBQPIPAH-UHFFFAOYSA-N -1 3 366.289 2.579 20 30 FFEDHM CC[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(OC)cc1 ZINC000811184567 995052609 /nfs/dbraw/zinc/05/26/09/995052609.db2.gz AEPVLOYOQDWLOK-QGZVFWFLSA-N -1 3 354.362 2.847 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000811187688 995053637 /nfs/dbraw/zinc/05/36/37/995053637.db2.gz LFTUKROSVXOBNZ-GOSISDBHSA-N -1 3 350.374 2.614 20 30 FFEDHM O=C(c1ccccc1[O-])N1CC[C@H]2CCN(CC#Cc3ccccc3)[C@H]2C1 ZINC001084892752 997888082 /nfs/dbraw/zinc/88/80/82/997888082.db2.gz RBJNCPDTMPUWFI-CTNGQTDRSA-N -1 3 360.457 2.980 20 30 FFEDHM C[C@H](NC(=O)c1cccs1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845837606 998670400 /nfs/dbraw/zinc/67/04/00/998670400.db2.gz BCYPNEYTVJCQQZ-ZFWWWQNUSA-N -1 3 366.442 2.876 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCNC(=O)c1cccs1 ZINC000845837925 998670735 /nfs/dbraw/zinc/67/07/35/998670735.db2.gz SBFWJFIXUZVEFE-HNNXBMFYSA-N -1 3 366.442 2.878 20 30 FFEDHM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)Cc1ccc([O-])c(F)c1)CCO2 ZINC001144626321 998681670 /nfs/dbraw/zinc/68/16/70/998681670.db2.gz UZMNAKQOFLEGET-OXQOHEQNSA-N -1 3 363.429 2.674 20 30 FFEDHM COC(=O)c1cccc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1C#N ZINC001598996706 998786168 /nfs/dbraw/zinc/78/61/68/998786168.db2.gz XZGJYGKYEBIQDS-OAQYLSRUSA-N -1 3 364.401 2.573 20 30 FFEDHM Cc1cc(C)cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742470204 999775335 /nfs/dbraw/zinc/77/53/35/999775335.db2.gz QRXWEYVKKQXOGA-AWEZNQCLSA-N -1 3 371.462 2.759 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)ccc1C#N ZINC000766549584 1000010247 /nfs/dbraw/zinc/01/02/47/1000010247.db2.gz VJSSRYNCPLEISK-HNNXBMFYSA-N -1 3 371.462 2.893 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]c1nc(Cl)nc2c1nc(C)n2C(C)C ZINC001169962502 1000090781 /nfs/dbraw/zinc/09/07/81/1000090781.db2.gz QBGXEAQBUZPUOM-UHFFFAOYSA-N -1 3 374.792 2.795 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1F ZINC000768766455 1000331998 /nfs/dbraw/zinc/33/19/98/1000331998.db2.gz RYZUBQDXXCDING-OAHLLOKOSA-N -1 3 370.336 2.582 20 30 FFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000846538848 1000356714 /nfs/dbraw/zinc/35/67/14/1000356714.db2.gz VUQUXRPDWIDGSJ-CYBMUJFWSA-N -1 3 368.380 2.764 20 30 FFEDHM COCc1cccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c1 ZINC000769811773 1000610004 /nfs/dbraw/zinc/61/00/04/1000610004.db2.gz DYSFXBCTIMOPQR-UHFFFAOYSA-N -1 3 354.414 2.879 20 30 FFEDHM C=C(C)CN1C(=O)COCC12CN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001276167660 1016444961 /nfs/dbraw/zinc/44/49/61/1016444961.db2.gz XNEFSSITRUBAEZ-UHFFFAOYSA-N -1 3 371.264 2.688 20 30 FFEDHM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1ccc([O-])c(C(C)=O)c1)CCO2 ZINC001148662343 1001193461 /nfs/dbraw/zinc/19/34/61/1001193461.db2.gz JVQBJMRHHRQSHU-DYESRHJHSA-N -1 3 373.449 2.809 20 30 FFEDHM CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@@H]1C(=O)N([O-])C[C@@H]1C)N=[N+]=[N-] ZINC001171362392 1001714319 /nfs/dbraw/zinc/71/43/19/1001714319.db2.gz DCKKHPVETOAGPD-VAIUUPTESA-N -1 3 374.401 2.561 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C2OCCO2)c1 ZINC000788206955 1001771572 /nfs/dbraw/zinc/77/15/72/1001771572.db2.gz CBBJTUXSJPMJMU-UHFFFAOYSA-N -1 3 367.405 2.892 20 30 FFEDHM CCCCN([O-])C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001184315026 1002556161 /nfs/dbraw/zinc/55/61/61/1002556161.db2.gz PHPNNCUQNLDXLC-UHFFFAOYSA-N -1 3 368.499 2.812 20 30 FFEDHM CCOC(=O)Nc1ccc(NC(=O)NCc2ncccc2[O-])cc1C#N ZINC000791843916 1002829412 /nfs/dbraw/zinc/82/94/12/1002829412.db2.gz BRAFXDNSYUDZBQ-UHFFFAOYSA-N -1 3 355.354 2.549 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)cs2)cc1 ZINC000747109643 1003313387 /nfs/dbraw/zinc/31/33/87/1003313387.db2.gz ZBNHKADDPYOWDQ-CQSZACIVSA-N -1 3 372.402 2.895 20 30 FFEDHM CC(=O)n1ccc2cc(C[C@H](C)[N-]S(=O)(=O)c3ccco3)cc(C#N)c21 ZINC001186876015 1003450117 /nfs/dbraw/zinc/45/01/17/1003450117.db2.gz QCWNJQQEPLNHAQ-LBPRGKRZSA-N -1 3 371.418 2.676 20 30 FFEDHM Cc1ccc([C@@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1 ZINC001196712956 1003924434 /nfs/dbraw/zinc/92/44/34/1003924434.db2.gz DPXPUFVLMKBPGR-OAHLLOKOSA-N -1 3 350.827 2.532 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C)n(C)c2C)c(C)c1[O-] ZINC001192436097 1004169367 /nfs/dbraw/zinc/16/93/67/1004169367.db2.gz CNOAXHSAVSLPSF-UHFFFAOYSA-N -1 3 355.394 2.957 20 30 FFEDHM CC(C)(C)OC(=O)NCC(C)(C)c1ccc([N-]S(=O)(=O)CC#N)cc1 ZINC001192978776 1004346787 /nfs/dbraw/zinc/34/67/87/1004346787.db2.gz FSZLJTFGIWKAOE-UHFFFAOYSA-N -1 3 367.471 2.754 20 30 FFEDHM Cc1cc(O)cc([O-])c1C(=O)N1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001193930462 1004607367 /nfs/dbraw/zinc/60/73/67/1004607367.db2.gz NKNCGIKYNAAEGN-KRWDZBQOSA-N -1 3 352.390 2.962 20 30 FFEDHM N#Cc1ncc(Br)cc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195381789 1004956913 /nfs/dbraw/zinc/95/69/13/1004956913.db2.gz QPVSJYHVJIASFF-UHFFFAOYSA-N -1 3 361.224 2.843 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c(C)ccnc2F)c(C)c1[O-] ZINC001199718453 1005013076 /nfs/dbraw/zinc/01/30/76/1005013076.db2.gz XDWSDYYDUQYYBL-UHFFFAOYSA-N -1 3 357.341 2.844 20 30 FFEDHM N#Cc1cccc(NS(=O)(=O)c2ccc([O-])cc2)c1Br ZINC001195806825 1005048117 /nfs/dbraw/zinc/04/81/17/1005048117.db2.gz PSHMSGZITCBQLE-UHFFFAOYSA-N -1 3 353.197 2.827 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001187531584 1006131084 /nfs/dbraw/zinc/13/10/84/1006131084.db2.gz YUPKANVMULMKTP-WKEGUHRASA-N -1 3 351.712 2.716 20 30 FFEDHM COC(=O)c1cc(C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)c[n-]1 ZINC000814533300 1006324447 /nfs/dbraw/zinc/32/44/47/1006324447.db2.gz SXVRXAMPSKOXQE-UHFFFAOYSA-N -1 3 367.279 2.908 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-]c1ncccc1N1CCN(C)CC1 ZINC001188002074 1006360986 /nfs/dbraw/zinc/36/09/86/1006360986.db2.gz WPUBDQIIMPGBSX-UHFFFAOYSA-N -1 3 368.547 2.936 20 30 FFEDHM CSc1[n-]nc(NC(=O)c2ccc(C#C[Si](C)(C)C)cc2)c1C(N)=O ZINC001189163448 1006912628 /nfs/dbraw/zinc/91/26/28/1006912628.db2.gz OKVWLNWVWYAKMF-UHFFFAOYSA-N -1 3 372.526 2.712 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001189181309 1006934983 /nfs/dbraw/zinc/93/49/83/1006934983.db2.gz UTYWWQSJPWLFLQ-GUYCJALGSA-N -1 3 355.394 2.623 20 30 FFEDHM Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)c1 ZINC000816756409 1007192552 /nfs/dbraw/zinc/19/25/52/1007192552.db2.gz WQUVRLOLMNBPII-OAHLLOKOSA-N -1 3 371.462 2.960 20 30 FFEDHM Cc1cc(C)c2ncc(C#N)c(N3CCN(c4nc(C)cc(=O)[n-]4)CC3)c2c1 ZINC000884704845 1007513360 /nfs/dbraw/zinc/51/33/60/1007513360.db2.gz VQKBNMCJIDOLPC-UHFFFAOYSA-N -1 3 374.448 2.854 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2cccnc21 ZINC000885397057 1007699302 /nfs/dbraw/zinc/69/93/02/1007699302.db2.gz FYFPBXTZEZVNCG-KRWDZBQOSA-N -1 3 350.422 2.797 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CC1)[C@H]1CCCOC1 ZINC000885452300 1007715559 /nfs/dbraw/zinc/71/55/59/1007715559.db2.gz PTJLCBXSFDYWAH-KXBFYZLASA-N -1 3 357.454 2.530 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c1 ZINC001190664651 1007722341 /nfs/dbraw/zinc/72/23/41/1007722341.db2.gz GGYULESVZYEXIV-UHFFFAOYSA-N -1 3 356.325 2.777 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)[C@H](O)c1ccc(Cl)cc1 ZINC001190670505 1007725120 /nfs/dbraw/zinc/72/51/20/1007725120.db2.gz LIKXGXCUMXNWKK-QFYYESIMSA-N -1 3 368.817 2.751 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)[C@@H](O)c1ccc(Cl)cc1 ZINC001190670510 1007725923 /nfs/dbraw/zinc/72/59/23/1007725923.db2.gz LIKXGXCUMXNWKK-QLJPJBMISA-N -1 3 368.817 2.751 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccn(C(F)F)c2=O)c1 ZINC001190993027 1007862958 /nfs/dbraw/zinc/86/29/58/1007862958.db2.gz IPZCXWUKAUIZTO-UHFFFAOYSA-N -1 3 359.741 2.569 20 30 FFEDHM COc1ccc(N2CC[C@H](C/N=C\c3c([O-])c(C)ncc3CO)C2)cc1 ZINC000818991424 1008003133 /nfs/dbraw/zinc/00/31/33/1008003133.db2.gz CYYSKUZZFNJMSW-ZGFXFUDXSA-N -1 3 355.438 2.542 20 30 FFEDHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000820179027 1008300692 /nfs/dbraw/zinc/30/06/92/1008300692.db2.gz DOLNXTJEAUXCMM-SFHVURJKSA-N -1 3 355.438 2.937 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000820184738 1008301464 /nfs/dbraw/zinc/30/14/64/1008301464.db2.gz CXKDPOVLWXGRJR-INIZCTEOSA-N -1 3 365.364 2.761 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000777048545 1008403743 /nfs/dbraw/zinc/40/37/43/1008403743.db2.gz RBKYORHJTBEHLX-GOSISDBHSA-N -1 3 364.401 2.920 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])C2=CC[C@H](NC(=O)OC(C)(C)C)C2)nc(C)n1 ZINC000860465061 1009013855 /nfs/dbraw/zinc/01/38/55/1009013855.db2.gz FQKXKENGOQNSAO-LSDHHAIUSA-N -1 3 356.426 2.883 20 30 FFEDHM C[C@H](NC(=O)c1ccccc1SCC#N)c1nc(C(F)(F)F)n[n-]1 ZINC001179176971 1009281231 /nfs/dbraw/zinc/28/12/31/1009281231.db2.gz OBQJFQCYYVDFPT-QMMMGPOBSA-N -1 3 355.345 2.930 20 30 FFEDHM C[C@@H](C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)N1CCCC1 ZINC001180577516 1009733351 /nfs/dbraw/zinc/73/33/51/1009733351.db2.gz VHOQLWMZSRKZKM-MKFNJMOCSA-N -1 3 371.466 2.644 20 30 FFEDHM CC[C@@H](C)c1cccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000862486877 1009855556 /nfs/dbraw/zinc/85/55/56/1009855556.db2.gz IZGIHLVWCCRNPZ-CYBMUJFWSA-N -1 3 371.462 2.877 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](O)c2ccccc21 ZINC000889253172 1009889752 /nfs/dbraw/zinc/88/97/52/1009889752.db2.gz OJPRRIFIVGAHIA-SFHVURJKSA-N -1 3 351.406 2.679 20 30 FFEDHM COc1cc(C=NNCCCOCc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000863178516 1010122570 /nfs/dbraw/zinc/12/25/70/1010122570.db2.gz SZMGEAGXORGNKL-UHFFFAOYSA-N -1 3 359.382 2.839 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)c1[O-] ZINC000864347820 1010452901 /nfs/dbraw/zinc/45/29/01/1010452901.db2.gz AYGOCARZPAMKQG-RWRZJGEASA-N -1 3 354.406 2.529 20 30 FFEDHM C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000646198193 1011795072 /nfs/dbraw/zinc/79/50/72/1011795072.db2.gz DQTVIKGWMHKKQL-KGLIPLIRSA-N -1 3 369.421 2.745 20 30 FFEDHM CCO[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C1CCOCC1 ZINC000870454399 1012389818 /nfs/dbraw/zinc/38/98/18/1012389818.db2.gz JXYSKEZEOOYWRS-IEBWSBKVSA-N -1 3 355.434 2.828 20 30 FFEDHM O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901374839 1019016878 /nfs/dbraw/zinc/01/68/78/1019016878.db2.gz TXBVDFUDTHBUFJ-LBPRGKRZSA-N -1 3 364.323 2.875 20 30 FFEDHM COCCOc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000802043322 1019669620 /nfs/dbraw/zinc/66/96/20/1019669620.db2.gz XFTUSWGNORLBER-AWEZNQCLSA-N -1 3 373.796 2.721 20 30 FFEDHM COc1ccc(CC(=O)[N-]OCc2c(C)cc(C#N)cc2C)cc1OC ZINC000902252968 1020015229 /nfs/dbraw/zinc/01/52/29/1020015229.db2.gz LUMVNMQCVVAVTL-UHFFFAOYSA-N -1 3 354.406 2.983 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc21 ZINC000900716785 1020609817 /nfs/dbraw/zinc/60/98/17/1020609817.db2.gz QDAPUNXJWSAQDU-UHFFFAOYSA-N -1 3 351.410 2.906 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCCC[C@@H](SC)C1 ZINC001122479462 1023295971 /nfs/dbraw/zinc/29/59/71/1023295971.db2.gz UCLXAGOFWMMNNP-CYBMUJFWSA-N -1 3 360.487 2.739 20 30 FFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001120605731 1023382573 /nfs/dbraw/zinc/38/25/73/1023382573.db2.gz XCXRCTVQEFXPSZ-ZBEGNZNMSA-N -1 3 369.874 2.914 20 30 FFEDHM [O-]c1ccc(C=NN2C(=S)N=NC2[C@H]2COc3ccccc3O2)cc1F ZINC000755541730 1023608944 /nfs/dbraw/zinc/60/89/44/1023608944.db2.gz HPENRSOKLNPZRD-OAHLLOKOSA-N -1 3 372.381 2.806 20 30 FFEDHM Oc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1F ZINC000755541730 1023608946 /nfs/dbraw/zinc/60/89/46/1023608946.db2.gz HPENRSOKLNPZRD-OAHLLOKOSA-N -1 3 372.381 2.806 20 30 FFEDHM CCOc1ccccc1OCC1N=NC(=S)N1N=Cc1ccc([O-])cn1 ZINC000755629327 1023616629 /nfs/dbraw/zinc/61/66/29/1023616629.db2.gz RSEOMNWYDNWTEE-UHFFFAOYSA-N -1 3 371.422 2.527 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1Cc1ccccc1 ZINC000193532033 1024561365 /nfs/dbraw/zinc/56/13/65/1024561365.db2.gz FCNKJAHGOSSCMD-MRXNPFEDSA-N -1 3 359.389 2.596 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2cc(F)ccc2C#N)c([O-])c1 ZINC000759366641 1024582524 /nfs/dbraw/zinc/58/25/24/1024582524.db2.gz YITKPKDJHGRBHV-UHFFFAOYSA-N -1 3 356.353 2.575 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000780017059 1025346919 /nfs/dbraw/zinc/34/69/19/1025346919.db2.gz USJOZEOJRGUFRV-JTQLQIEISA-N -1 3 350.334 2.505 20 30 FFEDHM C#C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Br)cc1 ZINC001159634915 1027451408 /nfs/dbraw/zinc/45/14/08/1027451408.db2.gz UFAOLRCAWWBAAA-ZDUSSCGKSA-N -1 3 355.195 2.825 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC001159642531 1027454218 /nfs/dbraw/zinc/45/42/18/1027454218.db2.gz YFFBWIBREXFVOP-ATGUSINASA-N -1 3 360.410 2.924 20 30 FFEDHM O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)C1(c2ccccc2)CC1 ZINC001161796978 1028314867 /nfs/dbraw/zinc/31/48/67/1028314867.db2.gz HTFDLJDVGQWNDV-UHFFFAOYSA-N -1 3 364.401 2.622 20 30 FFEDHM CC(C)[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)c1cccc(N)n1 ZINC001154559969 1028354095 /nfs/dbraw/zinc/35/40/95/1028354095.db2.gz DRVIJQBINFPJEE-LJQANCHMSA-N -1 3 361.405 2.504 20 30 FFEDHM Cc1cc(N(C)C)nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001163764974 1029053248 /nfs/dbraw/zinc/05/32/48/1029053248.db2.gz ITBIEQXNYFDKEI-UHFFFAOYSA-N -1 3 355.320 2.998 20 30 FFEDHM C=CCN(C)CCN(CC)C(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC001156672468 1029302115 /nfs/dbraw/zinc/30/21/15/1029302115.db2.gz PKKUYSAASGEAJH-UHFFFAOYSA-N -1 3 356.470 2.720 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(=O)c2ccccc2)c(C)c1[O-] ZINC001142688481 1030725430 /nfs/dbraw/zinc/72/54/30/1030725430.db2.gz VWLSGTYNGTXHHH-UHFFFAOYSA-N -1 3 352.346 2.570 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])[C@H](C#N)C1 ZINC001203651448 1030803981 /nfs/dbraw/zinc/80/39/81/1030803981.db2.gz ORRZBWTUXCXFDR-CQSZACIVSA-N -1 3 351.834 2.990 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cnn2c1OCCC2 ZINC000796743899 1030902370 /nfs/dbraw/zinc/90/23/70/1030902370.db2.gz HOEFORRGUKKMNR-HNNXBMFYSA-N -1 3 360.373 2.780 20 30 FFEDHM COCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000798132662 1031316749 /nfs/dbraw/zinc/31/67/49/1031316749.db2.gz RSBLGAVMXAVHQC-UHFFFAOYSA-N -1 3 355.394 2.830 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H](O/C(=N\[O-])c2ccccn2)C1 ZINC001223977053 1033665411 /nfs/dbraw/zinc/66/54/11/1033665411.db2.gz FCCWAMKTOAFUOI-MVPRXGHUSA-N -1 3 353.394 2.972 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nccc(/C=N/[O-])n2)C(C)(C)C1 ZINC001226254989 1034594592 /nfs/dbraw/zinc/59/45/92/1034594592.db2.gz GCRUNMHPSWSIDI-UZPSYVQNSA-N -1 3 350.419 2.699 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@H]2Oc2nccc(/C=N/[O-])n2)C1 ZINC001226253358 1034595505 /nfs/dbraw/zinc/59/55/05/1034595505.db2.gz GYRWSVDYDAHVRQ-LKERYGQTSA-N -1 3 362.430 2.843 20 30 FFEDHM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1[n-]c(=O)ncc1OC ZINC001226827922 1034854883 /nfs/dbraw/zinc/85/48/83/1034854883.db2.gz LURKRUVCCGNAAA-NSHDSACASA-N -1 3 354.284 2.669 20 30 FFEDHM C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001140494917 1035502012 /nfs/dbraw/zinc/50/20/12/1035502012.db2.gz NWEZJNGRGHEGBP-YLJYHZDGSA-N -1 3 362.470 2.903 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227613059 1035638610 /nfs/dbraw/zinc/63/86/10/1035638610.db2.gz QFPCVOSYKPHNHR-JTQLQIEISA-N -1 3 363.443 2.586 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2c([O-])ccc3c(C)cc(=O)oc32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228621557 1036210030 /nfs/dbraw/zinc/21/00/30/1036210030.db2.gz CGNNHYZISBNUPS-GYIHYUDTSA-N -1 3 360.362 2.617 20 30 FFEDHM COC(=O)C1=C[C@H](Oc2ccccc2C=N[O-])CN(Cc2ccccc2)C1 ZINC001234824450 1037193539 /nfs/dbraw/zinc/19/35/39/1037193539.db2.gz HSQKIXGVWCQUQF-IBGZPJMESA-N -1 3 366.417 2.857 20 30 FFEDHM C=CCOCc1nn(CC2CC2)c2c1CN(Cc1nc(C)ccc1[O-])CC2 ZINC001231671376 1037795733 /nfs/dbraw/zinc/79/57/33/1037795733.db2.gz UKUFIGAOZNGJFV-UHFFFAOYSA-N -1 3 368.481 2.963 20 30 FFEDHM COc1ccnc(Br)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258207958 1039267771 /nfs/dbraw/zinc/26/77/71/1039267771.db2.gz DMUABYXMIDCILW-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-][C@H](C#N)c1ccc(F)cc1)C(=O)C2 ZINC001258975214 1039631695 /nfs/dbraw/zinc/63/16/95/1039631695.db2.gz MIVPWMJVCGWKPS-JOQOYGCGSA-N -1 3 364.442 2.705 20 30 FFEDHM C=CCCCCCC[C@H](O)CNc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001253245693 1040067348 /nfs/dbraw/zinc/06/73/48/1040067348.db2.gz BMJVVROBYITJLW-ZDUSSCGKSA-N -1 3 370.471 2.958 20 30 FFEDHM C#C[C@H]1CCCN(Cc2ccc(OC)c(I)c2[O-])C1 ZINC001248494374 1040300343 /nfs/dbraw/zinc/30/03/43/1040300343.db2.gz UAYKKKMBRHROSV-NSHDSACASA-N -1 3 371.218 2.851 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001262957530 1041988192 /nfs/dbraw/zinc/98/81/92/1041988192.db2.gz XJFXRFMWEPSWDL-MRXNPFEDSA-N -1 3 362.437 2.696 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001262962050 1041991782 /nfs/dbraw/zinc/99/17/82/1041991782.db2.gz CJPYEVJAZUDRQR-LBPRGKRZSA-N -1 3 353.382 2.612 20 30 FFEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1ccc(C(=O)OC(C)(C)C)nc1 ZINC001263615725 1042402411 /nfs/dbraw/zinc/40/24/11/1042402411.db2.gz DOIZORNKYCYNDX-LLVKDONJSA-N -1 3 360.801 2.914 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)CC[C@@H]1CCc2ccccc21)C(=O)OC ZINC001309763137 1043514105 /nfs/dbraw/zinc/51/41/05/1043514105.db2.gz WTWMTBOVRNUCBC-DOTOQJQBSA-N -1 3 351.468 2.534 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC001309886627 1043572447 /nfs/dbraw/zinc/57/24/47/1043572447.db2.gz VECCWQXDCSUPEH-UHFFFAOYSA-N -1 3 362.329 2.838 20 30 FFEDHM CC(C)(C)[C@H]1CCc2nc(NC(=O)N[C@@H]3CCCN([O-])C3=O)sc2C1 ZINC001310635629 1043714693 /nfs/dbraw/zinc/71/46/93/1043714693.db2.gz KJBAOLXGKWMSDC-CMPLNLGQSA-N -1 3 366.487 2.796 20 30 FFEDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)no1 ZINC001327035093 1047167350 /nfs/dbraw/zinc/16/73/50/1047167350.db2.gz IAIFMRHVVOJTPM-SECBINFHSA-N -1 3 362.436 2.812 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001540407168 1070875916 /nfs/dbraw/zinc/87/59/16/1070875916.db2.gz JDOUPGNMPNJRRJ-OAHLLOKOSA-N -1 3 372.446 2.773 20 30 FFEDHM O=C(CC1c2ccccc2Oc2ccccc21)N[C@H]1CCCN([O-])C1=O ZINC001329916420 1048967073 /nfs/dbraw/zinc/96/70/73/1048967073.db2.gz RVXKIFXTWBEEGG-INIZCTEOSA-N -1 3 352.390 2.811 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)CCC1CCOCC1 ZINC001342524513 1051126544 /nfs/dbraw/zinc/12/65/44/1051126544.db2.gz YYZYNTVWVJYZFD-UHFFFAOYSA-N -1 3 372.473 2.578 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304814711 1051717523 /nfs/dbraw/zinc/71/75/23/1051717523.db2.gz RLCJFEHUQCGIMT-BPUTZDHNSA-N -1 3 366.421 2.664 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@@H](CC)C1 ZINC001343286128 1052134442 /nfs/dbraw/zinc/13/44/42/1052134442.db2.gz CZCFRVMWMBZTCX-ZDUSSCGKSA-N -1 3 360.487 2.657 20 30 FFEDHM O=C(c1c[nH]nc1-c1ccc2c(c1)OCO2)N([O-])Cc1ccc(F)cc1 ZINC001306900283 1052216537 /nfs/dbraw/zinc/21/65/37/1052216537.db2.gz LNJKCTBQQNJDLF-UHFFFAOYSA-N -1 3 355.325 2.976 20 30 FFEDHM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898524 1052216733 /nfs/dbraw/zinc/21/67/33/1052216733.db2.gz HIHRPHXPKISEJO-HETKQVNLSA-N -1 3 352.431 2.801 20 30 FFEDHM N#CC1(OCCOC(=O)c2cccc3[n-]c(C(F)F)nc32)CCOCC1 ZINC001346075077 1052735169 /nfs/dbraw/zinc/73/51/69/1052735169.db2.gz MGOFESNWYDDZJR-UHFFFAOYSA-N -1 3 365.336 2.747 20 30 FFEDHM C=CC[C@H](C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001347670785 1054210150 /nfs/dbraw/zinc/21/01/50/1054210150.db2.gz GRUPEAONWHLGAJ-MSOLQXFVSA-N -1 3 366.465 2.936 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H]1CC[C@H](SCC)C1 ZINC001338963457 1055971248 /nfs/dbraw/zinc/97/12/48/1055971248.db2.gz MOYIGQDRTZHFIL-STQMWFEESA-N -1 3 360.487 2.737 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001339209646 1056208312 /nfs/dbraw/zinc/20/83/12/1056208312.db2.gz CLISNOGIRKMXDG-LBPRGKRZSA-N -1 3 361.759 2.681 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001339209646 1056208330 /nfs/dbraw/zinc/20/83/30/1056208330.db2.gz CLISNOGIRKMXDG-LBPRGKRZSA-N -1 3 361.759 2.681 20 30 FFEDHM Cc1cc(Cl)ccc1O[C@H](C(=O)N[C@@H]1CCN([O-])C1=O)c1ccccc1 ZINC001450157351 1058988270 /nfs/dbraw/zinc/98/82/70/1058988270.db2.gz NFQVMMOHHKYRPC-WBVHZDCISA-N -1 3 374.824 2.875 20 30 FFEDHM CCc1ccccc1O[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000848139611 1059115999 /nfs/dbraw/zinc/11/59/99/1059115999.db2.gz ZODRGDDGQHVHMT-PKOBYXMFSA-N -1 3 368.433 2.866 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001455676827 1059864471 /nfs/dbraw/zinc/86/44/71/1059864471.db2.gz RPZZGDIDSTZDOP-UHFFFAOYSA-N -1 3 355.394 2.563 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ccc(C#N)c(Br)c3)C2)n1 ZINC001515968086 1059910624 /nfs/dbraw/zinc/91/06/24/1059910624.db2.gz BBIFPMRDLGFUKS-ZDUSSCGKSA-N -1 3 374.242 2.816 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C[C@@H](C)O)C1CC1 ZINC001355837012 1060633872 /nfs/dbraw/zinc/63/38/72/1060633872.db2.gz AAWAWPIIUCKNPI-LLVKDONJSA-N -1 3 371.466 2.796 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)c2ccc(F)cc2)c(F)c1 ZINC001475494388 1061113526 /nfs/dbraw/zinc/11/35/26/1061113526.db2.gz OHAJXBWLRJYQSN-MRXNPFEDSA-N -1 3 374.372 2.627 20 30 FFEDHM Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCN([O-])C3=O)cn2)cc1 ZINC001475978866 1061325498 /nfs/dbraw/zinc/32/54/98/1061325498.db2.gz JLYNJFCBAVXUGK-OAHLLOKOSA-N -1 3 356.382 2.684 20 30 FFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001463612939 1062182438 /nfs/dbraw/zinc/18/24/38/1062182438.db2.gz GARNXNAQPXAIIY-QMMMGPOBSA-N -1 3 371.265 2.986 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001479706235 1062846711 /nfs/dbraw/zinc/84/67/11/1062846711.db2.gz JFHJEYCSRAIYHO-KDOFPFPSSA-N -1 3 370.497 2.907 20 30 FFEDHM COc1cccc2[nH]c(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc21 ZINC001438984660 1063080027 /nfs/dbraw/zinc/08/00/27/1063080027.db2.gz SBAGBPVFELUPCF-UHFFFAOYSA-N -1 3 365.393 2.732 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001465629747 1063161692 /nfs/dbraw/zinc/16/16/92/1063161692.db2.gz FFWZHFWHNJBUOD-SECBINFHSA-N -1 3 353.304 2.718 20 30 FFEDHM Cc1ccccc1C(=O)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001470789403 1064450413 /nfs/dbraw/zinc/45/04/13/1064450413.db2.gz QWLYJXCBJZRJNJ-UHFFFAOYSA-N -1 3 351.406 2.516 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC001471049569 1064541906 /nfs/dbraw/zinc/54/19/06/1064541906.db2.gz DKZDKFHOXLWDGJ-MLGOLLRUSA-N -1 3 368.393 2.705 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001575302620 1078127633 /nfs/dbraw/zinc/12/76/33/1078127633.db2.gz JXRQINYYIRVXMW-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001575302620 1078127635 /nfs/dbraw/zinc/12/76/35/1078127635.db2.gz JXRQINYYIRVXMW-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM CCCCCCCCNC(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001577504651 1078370080 /nfs/dbraw/zinc/37/00/80/1078370080.db2.gz CFYOOTCKWHZVLM-UHFFFAOYSA-N -1 3 372.473 3.000 20 30 FFEDHM CCCCN(O)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001577513012 1078372600 /nfs/dbraw/zinc/37/26/00/1078372600.db2.gz VSAZTPDVEVIFEW-UHFFFAOYSA-N -1 3 354.370 2.686 20 30 FFEDHM CCCCN(O)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001577513012 1078372603 /nfs/dbraw/zinc/37/26/03/1078372603.db2.gz VSAZTPDVEVIFEW-UHFFFAOYSA-N -1 3 354.370 2.686 20 30 FFEDHM CCc1ccc([C@@H](C#N)N(C)C(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001578522325 1078487310 /nfs/dbraw/zinc/48/73/10/1078487310.db2.gz AMRFJXLLVRHGBK-OAHLLOKOSA-N -1 3 352.423 2.827 20 30 FFEDHM CCc1ccc([C@@H](C#N)N(C)C(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001578522325 1078487313 /nfs/dbraw/zinc/48/73/13/1078487313.db2.gz AMRFJXLLVRHGBK-OAHLLOKOSA-N -1 3 352.423 2.827 20 30 FFEDHM Cc1cc(C(=O)Nc2nc(Cl)c(C#N)s2)cc(C)c1-c1nnn[n-]1 ZINC001580887613 1078886025 /nfs/dbraw/zinc/88/60/25/1078886025.db2.gz ZOCCHVIPVMRQFO-UHFFFAOYSA-N -1 3 359.802 2.717 20 30 FFEDHM Cc1cc(C(=O)Nc2nc(Cl)c(C#N)s2)cc(C)c1-c1nn[n-]n1 ZINC001580887613 1078886029 /nfs/dbraw/zinc/88/60/29/1078886029.db2.gz ZOCCHVIPVMRQFO-UHFFFAOYSA-N -1 3 359.802 2.717 20 30 FFEDHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C#CC(C)C ZINC001581043476 1078910567 /nfs/dbraw/zinc/91/05/67/1078910567.db2.gz BLTDQLIINIWWEQ-UHFFFAOYSA-N -1 3 362.393 2.960 20 30 FFEDHM N#Cc1ccc(Cn2cc(NCc3ccc(-c4nnn[n-]4)cc3)cn2)cc1 ZINC001581872267 1079010672 /nfs/dbraw/zinc/01/06/72/1079010672.db2.gz RWUNITZVLYCQLM-UHFFFAOYSA-N -1 3 356.393 2.595 20 30 FFEDHM N#Cc1ccc(Cn2cc(NCc3ccc(-c4nn[n-]n4)cc3)cn2)cc1 ZINC001581872267 1079010684 /nfs/dbraw/zinc/01/06/84/1079010684.db2.gz RWUNITZVLYCQLM-UHFFFAOYSA-N -1 3 356.393 2.595 20 30 FFEDHM Cc1cc(C#N)cnc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001558687558 1076057599 /nfs/dbraw/zinc/05/75/99/1076057599.db2.gz BUQFISXVMZUDKQ-UHFFFAOYSA-N -1 3 361.361 2.594 20 30 FFEDHM Cc1cc(C#N)cnc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001558687558 1076057605 /nfs/dbraw/zinc/05/76/05/1076057605.db2.gz BUQFISXVMZUDKQ-UHFFFAOYSA-N -1 3 361.361 2.594 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@@H]2F)c(Cl)c1 ZINC001561913568 1076444061 /nfs/dbraw/zinc/44/40/61/1076444061.db2.gz YZXCDQAIUDYPSY-XJKSGUPXSA-N -1 3 366.801 2.962 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1[O-] ZINC001570834228 1077234845 /nfs/dbraw/zinc/23/48/45/1077234845.db2.gz XXCVITPIZBJCTI-GOSISDBHSA-N -1 3 363.417 2.817 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588325519 1079983923 /nfs/dbraw/zinc/98/39/23/1079983923.db2.gz NSHYMSYDLHEBNP-LJQANCHMSA-N -1 3 365.393 2.570 20 30 FFEDHM C#C[C@@H](NC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC001588327125 1079984305 /nfs/dbraw/zinc/98/43/05/1079984305.db2.gz CEAKXHQGXIKEJT-QGZVFWFLSA-N -1 3 361.380 2.528 20 30 FFEDHM C#C[C@@H](NC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC001588327125 1079984313 /nfs/dbraw/zinc/98/43/13/1079984313.db2.gz CEAKXHQGXIKEJT-QGZVFWFLSA-N -1 3 361.380 2.528 20 30 FFEDHM C#CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001588334518 1079988750 /nfs/dbraw/zinc/98/87/50/1079988750.db2.gz ZGHUMLPKQZENIM-QGZVFWFLSA-N -1 3 364.384 2.570 20 30 FFEDHM C#CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001588334518 1079988756 /nfs/dbraw/zinc/98/87/56/1079988756.db2.gz ZGHUMLPKQZENIM-QGZVFWFLSA-N -1 3 364.384 2.570 20 30 FFEDHM C#CCC1(C(=O)NCCNc2cccc(F)c2-c2nnn[n-]2)CCCCC1 ZINC001588334927 1079988843 /nfs/dbraw/zinc/98/88/43/1079988843.db2.gz QDOSFJQENCTANU-UHFFFAOYSA-N -1 3 370.432 2.508 20 30 FFEDHM C#CCC1(C(=O)NCCNc2cccc(F)c2-c2nn[n-]n2)CCCCC1 ZINC001588334927 1079988853 /nfs/dbraw/zinc/98/88/53/1079988853.db2.gz QDOSFJQENCTANU-UHFFFAOYSA-N -1 3 370.432 2.508 20 30 FFEDHM C#CCCCC(=O)N1CCC(C)(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588335947 1079988956 /nfs/dbraw/zinc/98/89/56/1079988956.db2.gz DBGGGUIXIIOKCA-UHFFFAOYSA-N -1 3 370.432 2.602 20 30 FFEDHM C#CCCCC(=O)N1CCC(C)(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588335947 1079988962 /nfs/dbraw/zinc/98/89/62/1079988962.db2.gz DBGGGUIXIIOKCA-UHFFFAOYSA-N -1 3 370.432 2.602 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588351860 1079991639 /nfs/dbraw/zinc/99/16/39/1079991639.db2.gz NMMRFJMYRGNRSD-UHFFFAOYSA-N -1 3 351.797 2.796 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588351860 1079991646 /nfs/dbraw/zinc/99/16/46/1079991646.db2.gz NMMRFJMYRGNRSD-UHFFFAOYSA-N -1 3 351.797 2.796 20 30 FFEDHM C#Cc1ccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001588366461 1079994826 /nfs/dbraw/zinc/99/48/26/1079994826.db2.gz SRGFUPSIJOUYQT-UHFFFAOYSA-N -1 3 373.416 2.532 20 30 FFEDHM C#Cc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Br)c1 ZINC001588374828 1079997912 /nfs/dbraw/zinc/99/79/12/1079997912.db2.gz QEIAUXFGKXQCOJ-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C#Cc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Br)c1 ZINC001588374828 1079997917 /nfs/dbraw/zinc/99/79/17/1079997917.db2.gz QEIAUXFGKXQCOJ-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C=C(Br)COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588391070 1080003489 /nfs/dbraw/zinc/00/34/89/1080003489.db2.gz DJAYMVCBXVSUIK-UHFFFAOYSA-N -1 3 369.244 2.552 20 30 FFEDHM C=C(Br)COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588391070 1080003500 /nfs/dbraw/zinc/00/35/00/1080003500.db2.gz DJAYMVCBXVSUIK-UHFFFAOYSA-N -1 3 369.244 2.552 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588411489 1080016060 /nfs/dbraw/zinc/01/60/60/1080016060.db2.gz DJQRMCJCCNRPTC-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588411489 1080016066 /nfs/dbraw/zinc/01/60/66/1080016066.db2.gz DJQRMCJCCNRPTC-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)NC1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001588416843 1080020942 /nfs/dbraw/zinc/02/09/42/1080020942.db2.gz ZLEFUJXNKUZMQF-UHFFFAOYSA-N -1 3 373.436 2.596 20 30 FFEDHM C=C(C)CCC(=O)NC1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001588416843 1080020951 /nfs/dbraw/zinc/02/09/51/1080020951.db2.gz ZLEFUJXNKUZMQF-UHFFFAOYSA-N -1 3 373.436 2.596 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@@H](C)C1CC1 ZINC001588429310 1080025589 /nfs/dbraw/zinc/02/55/89/1080025589.db2.gz HIAFWDHMLTWWNC-ZDUSSCGKSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@@H](C)C1CC1 ZINC001588429310 1080025597 /nfs/dbraw/zinc/02/55/97/1080025597.db2.gz HIAFWDHMLTWWNC-ZDUSSCGKSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C1CC(C)(c2noc(-c3cnc(C(F)(F)F)c(-c4nnn[n-]4)c3)n2)C1 ZINC001588455939 1080033537 /nfs/dbraw/zinc/03/35/37/1080033537.db2.gz FBXPJMAEQCYEKG-UHFFFAOYSA-N -1 3 363.303 2.938 20 30 FFEDHM C=CC(C)(C)CC(=O)NC1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588484877 1080049929 /nfs/dbraw/zinc/04/99/29/1080049929.db2.gz QSXULGYGLIOZCE-UHFFFAOYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CC(=O)NC1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588484877 1080049932 /nfs/dbraw/zinc/04/99/32/1080049932.db2.gz QSXULGYGLIOZCE-UHFFFAOYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588494886 1080057825 /nfs/dbraw/zinc/05/78/25/1080057825.db2.gz YIZMPGSNGGYPEO-SVGDTCPJSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588494886 1080057834 /nfs/dbraw/zinc/05/78/34/1080057834.db2.gz YIZMPGSNGGYPEO-SVGDTCPJSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588521554 1080074483 /nfs/dbraw/zinc/07/44/83/1080074483.db2.gz PIRNXKYOHZMNBC-JEYLPNPQSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588521554 1080074489 /nfs/dbraw/zinc/07/44/89/1080074489.db2.gz PIRNXKYOHZMNBC-JEYLPNPQSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588525655 1080077519 /nfs/dbraw/zinc/07/75/19/1080077519.db2.gz ZOCKNOAJGAJVMW-QLFBSQMISA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588525655 1080077525 /nfs/dbraw/zinc/07/75/25/1080077525.db2.gz ZOCKNOAJGAJVMW-QLFBSQMISA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588541073 1080087592 /nfs/dbraw/zinc/08/75/92/1080087592.db2.gz IREOVVVJNRBVMN-UHFFFAOYSA-N -1 3 352.442 2.736 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588541073 1080087599 /nfs/dbraw/zinc/08/75/99/1080087599.db2.gz IREOVVVJNRBVMN-UHFFFAOYSA-N -1 3 352.442 2.736 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588558707 1080096035 /nfs/dbraw/zinc/09/60/35/1080096035.db2.gz BTMWWTCVMCTBJS-ZFWWWQNUSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588558707 1080096041 /nfs/dbraw/zinc/09/60/41/1080096041.db2.gz BTMWWTCVMCTBJS-ZFWWWQNUSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CCCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588562214 1080098899 /nfs/dbraw/zinc/09/88/99/1080098899.db2.gz KCQRPIICEVBCRM-CYBMUJFWSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588562214 1080098909 /nfs/dbraw/zinc/09/89/09/1080098909.db2.gz KCQRPIICEVBCRM-CYBMUJFWSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N(CCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001588562328 1080099092 /nfs/dbraw/zinc/09/90/92/1080099092.db2.gz MGCYYMOLXPWRQX-UHFFFAOYSA-N -1 3 374.464 2.641 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC001588565287 1080099454 /nfs/dbraw/zinc/09/94/54/1080099454.db2.gz YRNYNZWAPYTRIK-CQSZACIVSA-N -1 3 372.498 2.708 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC001588565287 1080099461 /nfs/dbraw/zinc/09/94/61/1080099461.db2.gz YRNYNZWAPYTRIK-CQSZACIVSA-N -1 3 372.498 2.708 20 30 FFEDHM C=CCCCC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588582850 1080108387 /nfs/dbraw/zinc/10/83/87/1080108387.db2.gz QBKMHPOYPCNGMV-UHFFFAOYSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588582850 1080108390 /nfs/dbraw/zinc/10/83/90/1080108390.db2.gz QBKMHPOYPCNGMV-UHFFFAOYSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCN(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC001588603166 1080120832 /nfs/dbraw/zinc/12/08/32/1080120832.db2.gz FNZARKXZAYXTOO-UHFFFAOYSA-N -1 3 360.487 2.644 20 30 FFEDHM C=CCCn1cc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001588620911 1080124880 /nfs/dbraw/zinc/12/48/80/1080124880.db2.gz MLTOAUPZEIWDDH-UHFFFAOYSA-N -1 3 352.446 2.697 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](OC)[C@H](C)CC ZINC001588642130 1080135828 /nfs/dbraw/zinc/13/58/28/1080135828.db2.gz UTSSZYHWAPEEOH-PBHICJAKSA-N -1 3 372.473 2.625 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](OC)[C@H](C)CC ZINC001588642130 1080135833 /nfs/dbraw/zinc/13/58/33/1080135833.db2.gz UTSSZYHWAPEEOH-PBHICJAKSA-N -1 3 372.473 2.625 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588653735 1080143477 /nfs/dbraw/zinc/14/34/77/1080143477.db2.gz WTBNXFMZMWBEPJ-UHFFFAOYSA-N -1 3 352.373 2.538 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588653735 1080143482 /nfs/dbraw/zinc/14/34/82/1080143482.db2.gz WTBNXFMZMWBEPJ-UHFFFAOYSA-N -1 3 352.373 2.538 20 30 FFEDHM C=CCNc1ncc(C(=O)N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC001588665015 1080146594 /nfs/dbraw/zinc/14/65/94/1080146594.db2.gz CCUUBBPHTOJDBC-LLVKDONJSA-N -1 3 369.454 2.754 20 30 FFEDHM C=CCNc1ncc(C(=O)N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC001588665015 1080146599 /nfs/dbraw/zinc/14/65/99/1080146599.db2.gz CCUUBBPHTOJDBC-LLVKDONJSA-N -1 3 369.454 2.754 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC001588689017 1080154772 /nfs/dbraw/zinc/15/47/72/1080154772.db2.gz FIRWOFMMSUEPJM-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001588689017 1080154774 /nfs/dbraw/zinc/15/47/74/1080154774.db2.gz FIRWOFMMSUEPJM-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1ccccc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588689059 1080156385 /nfs/dbraw/zinc/15/63/85/1080156385.db2.gz WYXUJHNDFBJPMW-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM C=CCOc1ccccc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588689059 1080156389 /nfs/dbraw/zinc/15/63/89/1080156389.db2.gz WYXUJHNDFBJPMW-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CC(=C)C ZINC001588695167 1080159000 /nfs/dbraw/zinc/15/90/00/1080159000.db2.gz CYZPVPKFDCAJJE-UHFFFAOYSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CC(=C)C ZINC001588695167 1080159004 /nfs/dbraw/zinc/15/90/04/1080159004.db2.gz CYZPVPKFDCAJJE-UHFFFAOYSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001588699190 1080160749 /nfs/dbraw/zinc/16/07/49/1080160749.db2.gz FLYZSMILJDDYLV-CJNGLKHVSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001588699190 1080160753 /nfs/dbraw/zinc/16/07/53/1080160753.db2.gz FLYZSMILJDDYLV-CJNGLKHVSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588699184 1080161148 /nfs/dbraw/zinc/16/11/48/1080161148.db2.gz FKMOFSYNDIKQSF-UHFFFAOYSA-N -1 3 362.397 2.541 20 30 FFEDHM C=CCn1c(-c2ccoc2)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588699184 1080161151 /nfs/dbraw/zinc/16/11/51/1080161151.db2.gz FKMOFSYNDIKQSF-UHFFFAOYSA-N -1 3 362.397 2.541 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC001588839631 1080213845 /nfs/dbraw/zinc/21/38/45/1080213845.db2.gz TZWLRYCHBAOIKA-UHFFFAOYSA-N -1 3 355.797 2.949 20 30 FFEDHM CC(C)(C#N)CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001589033178 1080315776 /nfs/dbraw/zinc/31/57/76/1080315776.db2.gz ACGSCWPERXADDH-UHFFFAOYSA-N -1 3 363.381 2.932 20 30 FFEDHM C[C@H](C#N)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC001589335072 1080486654 /nfs/dbraw/zinc/48/66/54/1080486654.db2.gz MXBPYIUAKUYVMI-BFUOFWGJSA-N -1 3 352.390 2.828 20 30 FFEDHM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589835818 1080787330 /nfs/dbraw/zinc/78/73/30/1080787330.db2.gz GVQVUJMYVJZSMJ-CYBMUJFWSA-N -1 3 364.409 2.540 20 30 FFEDHM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589835818 1080787337 /nfs/dbraw/zinc/78/73/37/1080787337.db2.gz GVQVUJMYVJZSMJ-CYBMUJFWSA-N -1 3 364.409 2.540 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001589896584 1080844044 /nfs/dbraw/zinc/84/40/44/1080844044.db2.gz INSQESWHUXQAOG-NSHDSACASA-N -1 3 351.341 2.662 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001589896584 1080844046 /nfs/dbraw/zinc/84/40/46/1080844046.db2.gz INSQESWHUXQAOG-NSHDSACASA-N -1 3 351.341 2.662 20 30 FFEDHM C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589918479 1080859828 /nfs/dbraw/zinc/85/98/28/1080859828.db2.gz SPHFRNYOSBNNRL-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589918479 1080859830 /nfs/dbraw/zinc/85/98/30/1080859830.db2.gz SPHFRNYOSBNNRL-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc(C#N)cc1 ZINC001589931244 1080871446 /nfs/dbraw/zinc/87/14/46/1080871446.db2.gz JMUITASLGCVTJF-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(C#N)cc1 ZINC001589931244 1080871453 /nfs/dbraw/zinc/87/14/53/1080871453.db2.gz JMUITASLGCVTJF-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589930237 1080872245 /nfs/dbraw/zinc/87/22/45/1080872245.db2.gz AWIWBMYLDOWZSA-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589930237 1080872252 /nfs/dbraw/zinc/87/22/52/1080872252.db2.gz AWIWBMYLDOWZSA-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589937534 1080881385 /nfs/dbraw/zinc/88/13/85/1080881385.db2.gz GFWNWPMSBDOSLR-UYHISHBKSA-N -1 3 358.405 2.719 20 30 FFEDHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589937534 1080881391 /nfs/dbraw/zinc/88/13/91/1080881391.db2.gz GFWNWPMSBDOSLR-UYHISHBKSA-N -1 3 358.405 2.719 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1CCC(C#N)CC1 ZINC001590028626 1080953873 /nfs/dbraw/zinc/95/38/73/1080953873.db2.gz KVQDYENUMXAVRI-IYXRBSQSSA-N -1 3 355.398 2.507 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1CCC(C#N)CC1 ZINC001590028626 1080953879 /nfs/dbraw/zinc/95/38/79/1080953879.db2.gz KVQDYENUMXAVRI-IYXRBSQSSA-N -1 3 355.398 2.507 20 30 FFEDHM C[C@@]1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1(Cl)Cl ZINC001590123753 1081031634 /nfs/dbraw/zinc/03/16/34/1081031634.db2.gz XNDKYDYUDJNKKG-CYBMUJFWSA-N -1 3 351.197 2.651 20 30 FFEDHM C[C@@]1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1(Cl)Cl ZINC001590123753 1081031640 /nfs/dbraw/zinc/03/16/40/1081031640.db2.gz XNDKYDYUDJNKKG-CYBMUJFWSA-N -1 3 351.197 2.651 20 30 FFEDHM C[C@@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC001590263194 1081131675 /nfs/dbraw/zinc/13/16/75/1081131675.db2.gz KFLCSCVXXPTZIQ-PBHICJAKSA-N -1 3 364.453 2.588 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(C)O ZINC000277023276 256153037 /nfs/dbraw/zinc/15/30/37/256153037.db2.gz JWJXRLBRGKJNEH-ZDUSSCGKSA-N -1 3 364.389 2.651 20 30 FFEDHM CCCN(CCN1CCCC1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000286628122 257046356 /nfs/dbraw/zinc/04/63/56/257046356.db2.gz CSANYOPMUKWYFF-UHFFFAOYSA-N -1 3 358.486 2.543 20 30 FFEDHM Cc1nc(N2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)cc1C#N ZINC000290937964 257366301 /nfs/dbraw/zinc/36/63/01/257366301.db2.gz KEOLSFZKAGFBJY-UHFFFAOYSA-N -1 3 356.813 2.583 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc(C)n1 ZINC000041574711 506531137 /nfs/dbraw/zinc/53/11/37/506531137.db2.gz ZUWUAVYBZPXWEL-CQSZACIVSA-N -1 3 362.349 2.677 20 30 FFEDHM N#CC(=C([O-])c1c[nH]c2cc([N+](=O)[O-])ccc21)c1nnc2n1CCCCC2 ZINC000054726522 506610660 /nfs/dbraw/zinc/61/06/60/506610660.db2.gz KTGZORJCKNBXRW-CYBMUJFWSA-N -1 3 364.365 2.884 20 30 FFEDHM CCOC(=O)c1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000019678280 507190358 /nfs/dbraw/zinc/19/03/58/507190358.db2.gz GDUWXMZBPJRVSE-UHFFFAOYSA-N -1 3 367.405 2.611 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccccc3C#N)c2)n1 ZINC000049301842 507612523 /nfs/dbraw/zinc/61/25/23/507612523.db2.gz MFXRSAHLAKFSSQ-UHFFFAOYSA-N -1 3 374.400 2.888 20 30 FFEDHM C=CCc1cc(CNC(=O)c2ccc3n[n-]nc3c2)cc(OC)c1OC ZINC000050860260 507715116 /nfs/dbraw/zinc/71/51/16/507715116.db2.gz HFYLXMJQAJISDI-UHFFFAOYSA-N -1 3 352.394 2.634 20 30 FFEDHM Cc1ccc(CN2C[C@@H](C(=O)Nc3nnc(C(F)(F)F)[n-]3)CC2=O)cc1 ZINC000071869394 507722222 /nfs/dbraw/zinc/72/22/22/507722222.db2.gz ZHZVUMKWDVNYSN-NSHDSACASA-N -1 3 367.331 2.769 20 30 FFEDHM Cc1ccc(CN2C[C@@H](C(=O)Nc3nc(C(F)(F)F)n[n-]3)CC2=O)cc1 ZINC000071869394 507722224 /nfs/dbraw/zinc/72/22/24/507722224.db2.gz ZHZVUMKWDVNYSN-NSHDSACASA-N -1 3 367.331 2.769 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000110269830 508017545 /nfs/dbraw/zinc/01/75/45/508017545.db2.gz QMAFFSCDOLECNU-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000110269830 508017548 /nfs/dbraw/zinc/01/75/48/508017548.db2.gz QMAFFSCDOLECNU-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000080778527 508102992 /nfs/dbraw/zinc/10/29/92/508102992.db2.gz BILDEHQRVFBHIQ-GFCCVEGCSA-N -1 3 371.412 2.519 20 30 FFEDHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000075536164 508115026 /nfs/dbraw/zinc/11/50/26/508115026.db2.gz QXQPQLLOVWVCQA-QMMMGPOBSA-N -1 3 361.349 2.928 20 30 FFEDHM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000075536164 508115029 /nfs/dbraw/zinc/11/50/29/508115029.db2.gz QXQPQLLOVWVCQA-QMMMGPOBSA-N -1 3 361.349 2.928 20 30 FFEDHM C=CCN(CC=C)[C@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)C(C)C ZINC000081725019 508206383 /nfs/dbraw/zinc/20/63/83/508206383.db2.gz MFGQHPJRROTOPV-CQSZACIVSA-N -1 3 364.515 2.641 20 30 FFEDHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)n1 ZINC000081756021 508208582 /nfs/dbraw/zinc/20/85/82/508208582.db2.gz CEVOYFYLMSZSRW-LBPRGKRZSA-N -1 3 359.430 2.921 20 30 FFEDHM COC(=O)Cc1nnc(NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)[n-]1 ZINC000081756021 508208583 /nfs/dbraw/zinc/20/85/83/508208583.db2.gz CEVOYFYLMSZSRW-LBPRGKRZSA-N -1 3 359.430 2.921 20 30 FFEDHM COC(=O)Cc1nc(NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)n[n-]1 ZINC000081756021 508208585 /nfs/dbraw/zinc/20/85/85/508208585.db2.gz CEVOYFYLMSZSRW-LBPRGKRZSA-N -1 3 359.430 2.921 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000076937902 508264477 /nfs/dbraw/zinc/26/44/77/508264477.db2.gz WPAJPCILMWLSHT-QGZVFWFLSA-N -1 3 358.419 2.835 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000127240330 508419491 /nfs/dbraw/zinc/41/94/91/508419491.db2.gz CWOMUZWPICDJAH-MRXNPFEDSA-N -1 3 373.497 2.856 20 30 FFEDHM C=CCC(CC=C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000127288524 508426862 /nfs/dbraw/zinc/42/68/62/508426862.db2.gz ROJQENZEANNQKT-UHFFFAOYSA-N -1 3 362.904 2.564 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cs1 ZINC000156566633 508441362 /nfs/dbraw/zinc/44/13/62/508441362.db2.gz PTXDJGSJWSCHBI-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM Cc1cccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000156631995 508453600 /nfs/dbraw/zinc/45/36/00/508453600.db2.gz URDQULQQSGLNQX-UHFFFAOYSA-N -1 3 355.341 2.759 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000156766753 508473576 /nfs/dbraw/zinc/47/35/76/508473576.db2.gz BZNZQJVWRHIEML-UHFFFAOYSA-N -1 3 374.372 2.501 20 30 FFEDHM CCOCCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1 ZINC000134184709 508505025 /nfs/dbraw/zinc/50/50/25/508505025.db2.gz OBFVRSLQBHDGPZ-UHFFFAOYSA-N -1 3 373.497 2.899 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C#N)C(C)(C)C)ccc1F ZINC000122405285 508529477 /nfs/dbraw/zinc/52/94/77/508529477.db2.gz IKUVZLSOQABQMX-CQSZACIVSA-N -1 3 369.462 2.571 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1n1cccn1 ZINC000124332056 508816375 /nfs/dbraw/zinc/81/63/75/508816375.db2.gz NOGDELDRNCOQNE-GJZGRUSLSA-N -1 3 364.858 2.870 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000159540184 508855437 /nfs/dbraw/zinc/85/54/37/508855437.db2.gz BAHNBZCEWHAGLO-LJQANCHMSA-N -1 3 369.446 2.631 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1 ZINC000155509454 509016037 /nfs/dbraw/zinc/01/60/37/509016037.db2.gz YOPAAJITMFOVCP-LLVKDONJSA-N -1 3 359.432 2.528 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133196400 509130628 /nfs/dbraw/zinc/13/06/28/509130628.db2.gz JUKGNCUJUIXCET-UHFFFAOYSA-N -1 3 358.369 2.887 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000156279385 509154280 /nfs/dbraw/zinc/15/42/80/509154280.db2.gz GFHVSRWMSGPDFY-NSHDSACASA-N -1 3 362.373 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)Cc1cccs1 ZINC000156293586 509155898 /nfs/dbraw/zinc/15/58/98/509155898.db2.gz MUIGZWXSHDDAOT-LBPRGKRZSA-N -1 3 357.479 2.853 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCC(OC(C)C)CC1 ZINC000156337087 509162011 /nfs/dbraw/zinc/16/20/11/509162011.db2.gz JWGZFCLWLLXHOP-UHFFFAOYSA-N -1 3 359.470 2.648 20 30 FFEDHM CCOc1cccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000121439133 509173961 /nfs/dbraw/zinc/17/39/61/509173961.db2.gz OSNNKRBOPKZMKX-UHFFFAOYSA-N -1 3 367.449 2.554 20 30 FFEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2)n1 ZINC000121503018 509177061 /nfs/dbraw/zinc/17/70/61/509177061.db2.gz TZNOWIGEEAQQLA-UHFFFAOYSA-N -1 3 374.400 2.829 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CCCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175867220 509188098 /nfs/dbraw/zinc/18/80/98/509188098.db2.gz SORSWKKGXXYCEQ-JTQLQIEISA-N -1 3 354.819 2.674 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248465822 509334255 /nfs/dbraw/zinc/33/42/55/509334255.db2.gz CXKNIXPMQJVXGA-APHBMKBZSA-N -1 3 366.870 2.838 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000267219138 509398317 /nfs/dbraw/zinc/39/83/17/509398317.db2.gz SHRJVQTZXSLKQD-JTQLQIEISA-N -1 3 350.387 2.751 20 30 FFEDHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000183040401 509561112 /nfs/dbraw/zinc/56/11/12/509561112.db2.gz RFRIIDMKPCZZBF-UHFFFAOYSA-N -1 3 370.409 2.670 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c1cc(F)cc2F ZINC000192610269 509567009 /nfs/dbraw/zinc/56/70/09/509567009.db2.gz QHCIOBCGTIEIGD-UHFFFAOYSA-N -1 3 357.360 2.664 20 30 FFEDHM CCCCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000176872103 509735937 /nfs/dbraw/zinc/73/59/37/509735937.db2.gz KRRWAQSYDOGHPR-QZTJIDSGSA-N -1 3 373.497 2.896 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000180216314 509817512 /nfs/dbraw/zinc/81/75/12/509817512.db2.gz OTDJMGKANRDFPF-UHFFFAOYSA-N -1 3 366.345 2.814 20 30 FFEDHM COc1cccc(N2CCC[C@H](/N=C/c3c([O-])c(C)ncc3CO)C2)c1 ZINC000265275866 509962689 /nfs/dbraw/zinc/96/26/89/509962689.db2.gz DRYSUCCNEZDVBG-RSFOSLOZSA-N -1 3 355.438 2.684 20 30 FFEDHM O=C(c1cccc([O-])c1)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177262588 509967496 /nfs/dbraw/zinc/96/74/96/509967496.db2.gz QUVRJBPUWVSAFZ-UHFFFAOYSA-N -1 3 354.837 2.855 20 30 FFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000187236992 510140983 /nfs/dbraw/zinc/14/09/83/510140983.db2.gz MGWYOXADEMUTQH-VIFPVBQESA-N -1 3 364.261 2.709 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000268961482 510163330 /nfs/dbraw/zinc/16/33/30/510163330.db2.gz IMZPXZDAQCXZOM-LBPRGKRZSA-N -1 3 374.384 2.957 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000174802372 510319824 /nfs/dbraw/zinc/31/98/24/510319824.db2.gz APFBGWZLXNMVKE-UHFFFAOYSA-N -1 3 372.446 2.731 20 30 FFEDHM CCOC(=O)Nc1ccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1C#N ZINC000269820026 510559890 /nfs/dbraw/zinc/55/98/90/510559890.db2.gz IZLRVKDSHWKQGF-LLVKDONJSA-N -1 3 357.370 2.862 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]CCOc2ccc(C#N)cc2)sc1Cl ZINC000188056473 510569058 /nfs/dbraw/zinc/56/90/58/510569058.db2.gz WMXHVKLGPXVCGD-UHFFFAOYSA-N -1 3 356.856 2.939 20 30 FFEDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000178514117 510639756 /nfs/dbraw/zinc/63/97/56/510639756.db2.gz CMUXPHJHFLCKLV-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263319021 510661071 /nfs/dbraw/zinc/66/10/71/510661071.db2.gz JFOUJVSKMBIYBK-SOUVJXGZSA-N -1 3 350.484 2.694 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC(F)(F)CC2)c(C)o1 ZINC000330394748 510976544 /nfs/dbraw/zinc/97/65/44/510976544.db2.gz DMBBKLHMNGQBSL-UHFFFAOYSA-N -1 3 350.387 2.626 20 30 FFEDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(Oc3ccc(C#N)cc3F)CC2)on1 ZINC000285611543 510977234 /nfs/dbraw/zinc/97/72/34/510977234.db2.gz XKQIORUALZTTID-CYBMUJFWSA-N -1 3 372.400 2.864 20 30 FFEDHM C=CC[C@H]1N(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCCC1(C)C ZINC000278231262 510985263 /nfs/dbraw/zinc/98/52/63/510985263.db2.gz VICWBFPWYUYDJF-IERDGZPVSA-N -1 3 369.465 2.948 20 30 FFEDHM N#CCc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289584346 511105652 /nfs/dbraw/zinc/10/56/52/511105652.db2.gz SWILYNCQVNSSMC-CYBMUJFWSA-N -1 3 368.359 2.675 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000291605812 511264446 /nfs/dbraw/zinc/26/44/46/511264446.db2.gz APSRIFQYYWVFNA-HNNXBMFYSA-N -1 3 352.387 2.655 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000365278444 511357500 /nfs/dbraw/zinc/35/75/00/511357500.db2.gz LGSDADIXJBUAHY-IBGZPJMESA-N -1 3 365.433 2.808 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1([C@H](C)CCO)CCC1 ZINC000271887985 511359872 /nfs/dbraw/zinc/35/98/72/511359872.db2.gz ODSAPAPHWGQODD-CYBMUJFWSA-N -1 3 359.470 2.513 20 30 FFEDHM COC(=O)c1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000299279377 511575977 /nfs/dbraw/zinc/57/59/77/511575977.db2.gz QWIXFHULNNUFKQ-UHFFFAOYSA-N -1 3 353.378 2.634 20 30 FFEDHM COc1ccccc1C(=O)C(C(=S)[N-]C1(C)CC1)[n+]1cccc([O-])c1 ZINC000284016673 511576695 /nfs/dbraw/zinc/57/66/95/511576695.db2.gz HXDYCLUZTVGIQE-UHFFFAOYSA-O -1 3 357.455 2.769 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2cccc(CN3CCCCC3=O)c2)c1[O-] ZINC000299448532 511639673 /nfs/dbraw/zinc/63/96/73/511639673.db2.gz NGCJBPFPTJJPBS-SSDVNMTOSA-N -1 3 353.422 2.851 20 30 FFEDHM COc1ccc(C)cc1C(=O)C(C(=S)[N-]C1CC1)[n+]1cccc([O-])c1 ZINC000299608983 511666098 /nfs/dbraw/zinc/66/60/98/511666098.db2.gz XFGBTAFXKOUUCA-UHFFFAOYSA-O -1 3 357.455 2.688 20 30 FFEDHM Cc1nsc([N-]C(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)c1C#N ZINC000281081507 511713423 /nfs/dbraw/zinc/71/34/23/511713423.db2.gz CQQLBTOXNQPHSH-UHFFFAOYSA-N -1 3 367.427 2.897 20 30 FFEDHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000312589286 511786149 /nfs/dbraw/zinc/78/61/49/511786149.db2.gz CTEPWZYJRDUFQM-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000321651443 511820945 /nfs/dbraw/zinc/82/09/45/511820945.db2.gz MNXVLSNUAIJBPC-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCC2CCOCC2)no1 ZINC000293093917 511837225 /nfs/dbraw/zinc/83/72/25/511837225.db2.gz FDCGJQWREGZWPG-UHFFFAOYSA-N -1 3 356.426 2.803 20 30 FFEDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328644011 511905953 /nfs/dbraw/zinc/90/59/53/511905953.db2.gz FSASAJWNPCBPHP-NSHDSACASA-N -1 3 361.421 2.952 20 30 FFEDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328644011 511905956 /nfs/dbraw/zinc/90/59/56/511905956.db2.gz FSASAJWNPCBPHP-NSHDSACASA-N -1 3 361.421 2.952 20 30 FFEDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328644011 511905962 /nfs/dbraw/zinc/90/59/62/511905962.db2.gz FSASAJWNPCBPHP-NSHDSACASA-N -1 3 361.421 2.952 20 30 FFEDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000328899591 511947495 /nfs/dbraw/zinc/94/74/95/511947495.db2.gz YZWLWWRVVOUZMN-HNNXBMFYSA-N -1 3 368.437 2.678 20 30 FFEDHM O=C(NCc1ccc([O-])c(Br)c1)N1CCOCC2(CC2)C1 ZINC000329313870 512024792 /nfs/dbraw/zinc/02/47/92/512024792.db2.gz DHXJWXKRVWAGPU-UHFFFAOYSA-N -1 3 355.232 2.681 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000285228693 512045816 /nfs/dbraw/zinc/04/58/16/512045816.db2.gz YLWDXNAVHHRQBG-NSHDSACASA-N -1 3 356.366 2.768 20 30 FFEDHM O=C1c2cnn(-c3ncccn3)c2CC/C1=C\c1c(F)ccc([O-])c1F ZINC000366531259 512075062 /nfs/dbraw/zinc/07/50/62/512075062.db2.gz NFFIUULEZJLHJS-CSKARUKUSA-N -1 3 354.316 2.859 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCC2CCC2)CCCC1 ZINC000329684357 512086689 /nfs/dbraw/zinc/08/66/89/512086689.db2.gz YAVHUZFOHHFZDP-UHFFFAOYSA-N -1 3 355.460 2.639 20 30 FFEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)s1 ZINC000329781218 512096993 /nfs/dbraw/zinc/09/69/93/512096993.db2.gz SNGHKNXACFWMJL-RWMBFGLXSA-N -1 3 371.528 2.629 20 30 FFEDHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CCC2 ZINC000371587451 512480201 /nfs/dbraw/zinc/48/02/01/512480201.db2.gz CXEKPTRIPFYXNG-ZDUSSCGKSA-N -1 3 364.858 2.573 20 30 FFEDHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000376292856 512752362 /nfs/dbraw/zinc/75/23/62/512752362.db2.gz GDCGSSYOUWJWDU-CQSZACIVSA-N -1 3 359.451 2.655 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000439670951 513159362 /nfs/dbraw/zinc/15/93/62/513159362.db2.gz GVVQGZNXZATJLA-QGZVFWFLSA-N -1 3 357.435 2.833 20 30 FFEDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435420200 513577865 /nfs/dbraw/zinc/57/78/65/513577865.db2.gz BCLFKPKAPYNDKP-UHFFFAOYSA-N -1 3 358.485 2.800 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC000435436839 513587704 /nfs/dbraw/zinc/58/77/04/513587704.db2.gz HNQVMTBGXXHRQC-GOEBONIOSA-N -1 3 366.439 2.957 20 30 FFEDHM CS(=O)(=O)c1ccccc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448128279 513681092 /nfs/dbraw/zinc/68/10/92/513681092.db2.gz LSLHXNQIGOVNLP-UHFFFAOYSA-N -1 3 367.386 2.869 20 30 FFEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(OCC(N)=O)cc2)s1 ZINC000430601913 513702075 /nfs/dbraw/zinc/70/20/75/513702075.db2.gz VKKJAFVDGXMPOR-CYBMUJFWSA-N -1 3 357.435 2.795 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000416410609 513756746 /nfs/dbraw/zinc/75/67/46/513756746.db2.gz GJAWNASCGFLEQQ-UHFFFAOYSA-N -1 3 371.178 2.942 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)CC2CCCCC2)c1 ZINC000416666539 513896611 /nfs/dbraw/zinc/89/66/11/513896611.db2.gz VXOORIUDDYBXSA-CQSZACIVSA-N -1 3 356.875 2.821 20 30 FFEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C12CCC2 ZINC000443247732 513911235 /nfs/dbraw/zinc/91/12/35/513911235.db2.gz UZYMATVLVWRZCF-GJZGRUSLSA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1cccnc1-n1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000436630278 513921656 /nfs/dbraw/zinc/92/16/56/513921656.db2.gz MFGWODVOKUHALX-UHFFFAOYSA-N -1 3 359.389 2.976 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000436667656 513935907 /nfs/dbraw/zinc/93/59/07/513935907.db2.gz UPGCJISNEDLJMY-AWEZNQCLSA-N -1 3 351.406 2.570 20 30 FFEDHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443343434 513943964 /nfs/dbraw/zinc/94/39/64/513943964.db2.gz GMQYCQQJGZOONT-JTQLQIEISA-N -1 3 358.847 2.610 20 30 FFEDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000443345084 513944720 /nfs/dbraw/zinc/94/47/20/513944720.db2.gz QCGBVFUSZPZLCS-JQWIXIFHSA-N -1 3 364.389 2.652 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(CN(C)C)c2)n1 ZINC000436696638 513948096 /nfs/dbraw/zinc/94/80/96/513948096.db2.gz JVCVCRKXIQKYDJ-AWEZNQCLSA-N -1 3 357.435 2.871 20 30 FFEDHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000451819141 514001700 /nfs/dbraw/zinc/00/17/00/514001700.db2.gz SSPKGTTYBWACOC-DOMZBBRYSA-N -1 3 356.875 2.941 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000451907026 514061625 /nfs/dbraw/zinc/06/16/25/514061625.db2.gz GVDVRMUPHYNCAG-OLZOCXBDSA-N -1 3 360.357 2.589 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1(O)CCCC1 ZINC000452048882 514160887 /nfs/dbraw/zinc/16/08/87/514160887.db2.gz RITAFRNUSOWDHG-UHFFFAOYSA-N -1 3 356.875 2.821 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000428041019 514384769 /nfs/dbraw/zinc/38/47/69/514384769.db2.gz YZLFAOJNAJVDAQ-MRXNPFEDSA-N -1 3 352.438 2.640 20 30 FFEDHM N#CCCC[C@H](N)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000424112761 514385349 /nfs/dbraw/zinc/38/53/49/514385349.db2.gz KSUJBXPAXGJGPL-LBPRGKRZSA-N -1 3 352.225 2.765 20 30 FFEDHM C[C@@H]1C[C@@]1(C#N)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000449930546 514429599 /nfs/dbraw/zinc/42/95/99/514429599.db2.gz MGMKVXINMHFRIH-ZMZPIMSZSA-N -1 3 361.829 2.772 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461110882 514517164 /nfs/dbraw/zinc/51/71/64/514517164.db2.gz IQJXBOXPUFFYPF-ZDUSSCGKSA-N -1 3 359.289 2.849 20 30 FFEDHM Cn1ncc2c1ncc(C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)c2[O-] ZINC000470588870 514542728 /nfs/dbraw/zinc/54/27/28/514542728.db2.gz UPUPXTBURIFQFM-UHFFFAOYSA-N -1 3 355.442 2.902 20 30 FFEDHM C=CCC1(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCCC1 ZINC000455477767 514546580 /nfs/dbraw/zinc/54/65/80/514546580.db2.gz LFIDTWFLLCVULL-UHFFFAOYSA-N -1 3 371.481 2.996 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)c1cccc(Br)c1 ZINC000470839335 514635142 /nfs/dbraw/zinc/63/51/42/514635142.db2.gz IIPWAOHEZDEHCZ-UHFFFAOYSA-N -1 3 354.229 2.907 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000508012312 514638938 /nfs/dbraw/zinc/63/89/38/514638938.db2.gz KFKRIJSICQCHSB-GFCCVEGCSA-N -1 3 352.403 2.770 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000508066311 514651987 /nfs/dbraw/zinc/65/19/87/514651987.db2.gz BDHCZDQJMQGNHD-LBPRGKRZSA-N -1 3 370.780 2.956 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC(C)C ZINC000475803217 514816682 /nfs/dbraw/zinc/81/66/82/514816682.db2.gz IYKSKTPDKZLWHH-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1c(F)cc(C#N)cc1F ZINC000484863180 514819369 /nfs/dbraw/zinc/81/93/69/514819369.db2.gz NZDLHBNCRZRPFM-UHFFFAOYSA-N -1 3 373.750 2.960 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000498324433 514862872 /nfs/dbraw/zinc/86/28/72/514862872.db2.gz HIAOIMVCLCANCO-UHFFFAOYSA-N -1 3 369.446 2.735 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)cc1C#N ZINC000489627038 514921358 /nfs/dbraw/zinc/92/13/58/514921358.db2.gz WSJYZCCXIRCIPL-OAHLLOKOSA-N -1 3 369.368 2.886 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC000489651973 514928253 /nfs/dbraw/zinc/92/82/53/514928253.db2.gz GIDJYYKNISFYEY-AEFFLSMTSA-N -1 3 365.495 2.924 20 30 FFEDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000489677606 514935233 /nfs/dbraw/zinc/93/52/33/514935233.db2.gz USUNQPREDMKJAY-UHFFFAOYSA-N -1 3 363.414 2.748 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000489724676 514951593 /nfs/dbraw/zinc/95/15/93/514951593.db2.gz ZTZXBDLAZXPIDC-MRXNPFEDSA-N -1 3 353.484 2.825 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000489886154 515015143 /nfs/dbraw/zinc/01/51/43/515015143.db2.gz MEGMFFJRBXSHKV-HNNXBMFYSA-N -1 3 359.875 2.700 20 30 FFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000462410049 515037284 /nfs/dbraw/zinc/03/72/84/515037284.db2.gz MWPBUGBYMFVMDK-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@](C)(C#N)CC)c(F)cc1F ZINC000509142662 515042493 /nfs/dbraw/zinc/04/24/93/515042493.db2.gz XBDGFCAXNDPOQZ-OAHLLOKOSA-N -1 3 359.398 2.995 20 30 FFEDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503477049 515046594 /nfs/dbraw/zinc/04/65/94/515046594.db2.gz KKWVHCWBROFXST-GFCCVEGCSA-N -1 3 356.856 2.594 20 30 FFEDHM CCCCn1cc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C)n1 ZINC000476549482 515096967 /nfs/dbraw/zinc/09/69/67/515096967.db2.gz ZJCIYZPLAVCION-UHFFFAOYSA-N -1 3 366.874 2.995 20 30 FFEDHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)no1 ZINC000485926763 515259641 /nfs/dbraw/zinc/25/96/41/515259641.db2.gz OZMKZWQONNSANF-UHFFFAOYSA-N -1 3 369.487 2.883 20 30 FFEDHM COC(=O)c1cc(C)cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000459305948 515459766 /nfs/dbraw/zinc/45/97/66/515459766.db2.gz ICMCPEHCNAQNBX-HNNXBMFYSA-N -1 3 352.394 2.590 20 30 FFEDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]1 ZINC000486627229 515569532 /nfs/dbraw/zinc/56/95/32/515569532.db2.gz HYVWFQCNSRRFFS-VHSXEESVSA-N -1 3 367.862 2.883 20 30 FFEDHM CCOC(=O)CC1(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1 ZINC000469059844 515652135 /nfs/dbraw/zinc/65/21/35/515652135.db2.gz XKTKGIQLZPKIRF-UHFFFAOYSA-N -1 3 373.453 2.591 20 30 FFEDHM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000506071930 515768966 /nfs/dbraw/zinc/76/89/66/515768966.db2.gz OXISNOMPQFBZID-FQEVSTJZSA-N -1 3 372.428 2.551 20 30 FFEDHM N#Cc1ccnc(N2CCN(Cc3cc([O-])ccc3Br)CC2)c1 ZINC000506691617 515955502 /nfs/dbraw/zinc/95/55/02/515955502.db2.gz XBFTZZRSYRNXDG-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C=C(C)[C@@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1ccc(F)c(F)c1 ZINC000478917361 516009202 /nfs/dbraw/zinc/00/92/02/516009202.db2.gz KFCAOKBOZPKLNE-OAHLLOKOSA-N -1 3 358.348 2.999 20 30 FFEDHM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000540321395 516509972 /nfs/dbraw/zinc/50/99/72/516509972.db2.gz PTXIQTWKYGYATG-DGCLKSJQSA-N -1 3 362.373 2.670 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000518321578 516613560 /nfs/dbraw/zinc/61/35/60/516613560.db2.gz TXWCEBZRWXWOIK-AWEZNQCLSA-N -1 3 364.327 2.741 20 30 FFEDHM Cc1ccc2c(CN3CCN(c4cc(C#N)ccn4)CC3)ccc([O-])c2n1 ZINC000513967430 516817065 /nfs/dbraw/zinc/81/70/65/516817065.db2.gz JWEVWAIRAHKHGS-UHFFFAOYSA-N -1 3 359.433 2.838 20 30 FFEDHM Cn1cc(Br)c(=NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[n-]1 ZINC000518982016 516841809 /nfs/dbraw/zinc/84/18/09/516841809.db2.gz KHFZAELWILLLFU-UHFFFAOYSA-N -1 3 365.206 2.532 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000514706329 517014428 /nfs/dbraw/zinc/01/44/28/517014428.db2.gz JNTZWQRTSQWXIK-IINYFYTJSA-N -1 3 370.327 2.949 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC1C[C@@H](C)O[C@H](C)C1 ZINC000549030057 517364186 /nfs/dbraw/zinc/36/41/86/517364186.db2.gz XKWWGOQTKUWEDG-CHWSQXEVSA-N -1 3 359.470 2.918 20 30 FFEDHM COc1ccc(Cn2cc([N-]c3ncc([N+](=O)[O-])cc3C#N)cn2)cc1 ZINC000553342771 517655174 /nfs/dbraw/zinc/65/51/74/517655174.db2.gz VRUDOYOVBZNKGC-UHFFFAOYSA-N -1 3 350.338 2.858 20 30 FFEDHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000530375202 517736824 /nfs/dbraw/zinc/73/68/24/517736824.db2.gz BSQJINCXAJMDDC-AWEZNQCLSA-N -1 3 370.446 2.876 20 30 FFEDHM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)CCC(C)(C)C#N)cn1 ZINC000563224380 517752230 /nfs/dbraw/zinc/75/22/30/517752230.db2.gz LDLWWNVQYDRNDK-UHFFFAOYSA-N -1 3 350.419 2.908 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc3nc[nH]c3c2)no1 ZINC000547147370 518002282 /nfs/dbraw/zinc/00/22/82/518002282.db2.gz VSLNRPGMDKUZAZ-UHFFFAOYSA-N -1 3 360.377 2.987 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000547147370 518002293 /nfs/dbraw/zinc/00/22/93/518002293.db2.gz VSLNRPGMDKUZAZ-UHFFFAOYSA-N -1 3 360.377 2.987 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2nccn21 ZINC000563680944 518064538 /nfs/dbraw/zinc/06/45/38/518064538.db2.gz HVHDJRBYZXLAFS-BXKDBHETSA-N -1 3 370.356 2.758 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000530975022 518078793 /nfs/dbraw/zinc/07/87/93/518078793.db2.gz MTUBZNIVJHIGNO-OAVHHTNSSA-N -1 3 360.410 2.929 20 30 FFEDHM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000572745119 518341218 /nfs/dbraw/zinc/34/12/18/518341218.db2.gz GQKIMSHMRAACEV-MRXNPFEDSA-N -1 3 366.483 2.736 20 30 FFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1O ZINC000576044637 518402346 /nfs/dbraw/zinc/40/23/46/518402346.db2.gz ZVQHKHNILKDLCS-UHFFFAOYSA-N -1 3 352.334 2.972 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000581732687 518430579 /nfs/dbraw/zinc/43/05/79/518430579.db2.gz GTFAUKCZXHGGID-PXAZEXFGSA-N -1 3 368.430 2.753 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000581978550 518528780 /nfs/dbraw/zinc/52/87/80/518528780.db2.gz VSOXUUITCBBDAP-INIZCTEOSA-N -1 3 366.458 2.999 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccccn1 ZINC000585708259 518569885 /nfs/dbraw/zinc/56/98/85/518569885.db2.gz LDYADRWBGFTANO-JTQLQIEISA-N -1 3 366.240 2.755 20 30 FFEDHM N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCc2nc[n-]c(=O)c2C1 ZINC000576879973 518809118 /nfs/dbraw/zinc/80/91/18/518809118.db2.gz KXLSBQRFQCVZNE-UHFFFAOYSA-N -1 3 369.331 2.766 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2ccnc3c2ncn3C)c(C#N)c1C ZINC000588816463 518837991 /nfs/dbraw/zinc/83/79/91/518837991.db2.gz XIRZEFNEAPZZTF-UHFFFAOYSA-N -1 3 369.406 2.639 20 30 FFEDHM CC1(C)CN(C2(CNC(=O)c3cc([O-])cc(C#N)c3)CCCCC2)CCO1 ZINC000589178824 518941667 /nfs/dbraw/zinc/94/16/67/518941667.db2.gz FSEAHRSRWVEFGK-UHFFFAOYSA-N -1 3 371.481 2.807 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC(C)(C)C ZINC000574338386 519108731 /nfs/dbraw/zinc/10/87/31/519108731.db2.gz QNLDULWKLPNGKZ-GFCCVEGCSA-N -1 3 358.847 2.610 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC12CCSCC2 ZINC000566082101 519287302 /nfs/dbraw/zinc/28/73/02/519287302.db2.gz HQUYXSMXWPQUOC-CQSZACIVSA-N -1 3 359.495 2.858 20 30 FFEDHM Cc1cc(NC(=O)Cc2ccc(Br)cc2[O-])n(CCC#N)n1 ZINC000581228253 519584694 /nfs/dbraw/zinc/58/46/94/519584694.db2.gz RDAWLYSUCHRKIW-UHFFFAOYSA-N -1 3 363.215 2.755 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000591326752 519591476 /nfs/dbraw/zinc/59/14/76/519591476.db2.gz RQGBHPSMRIGLEI-JTQLQIEISA-N -1 3 365.199 2.787 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000591334311 519595602 /nfs/dbraw/zinc/59/56/02/519595602.db2.gz MSMRQWUVLQZEJD-UHFFFAOYSA-N -1 3 373.272 2.820 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)NC[C@H]2CCN2C2CCCCC2)cc1C#N ZINC000600229541 520140819 /nfs/dbraw/zinc/14/08/19/520140819.db2.gz VINSDVTZFZNKJV-CQSZACIVSA-N -1 3 360.483 2.518 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)CC(F)F ZINC000592067689 520162941 /nfs/dbraw/zinc/16/29/41/520162941.db2.gz SSVWVKFWGLCDPT-MRVPVSSYSA-N -1 3 367.215 2.890 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC000595368944 520434060 /nfs/dbraw/zinc/43/40/60/520434060.db2.gz BZRYKLGZMJHRLH-GFCCVEGCSA-N -1 3 365.282 2.886 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)s1 ZINC000613344359 520456646 /nfs/dbraw/zinc/45/66/46/520456646.db2.gz ABLVMECFSZGGJC-MEBBXXQBSA-N -1 3 357.501 2.552 20 30 FFEDHM N#CCN1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000610467586 520701713 /nfs/dbraw/zinc/70/17/13/520701713.db2.gz CDFGWKIZSOMDTR-UHFFFAOYSA-N -1 3 351.406 2.902 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)c1 ZINC000613922128 520726922 /nfs/dbraw/zinc/72/69/22/520726922.db2.gz AGGYIVMMQYTWSQ-INIZCTEOSA-N -1 3 362.838 2.804 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000610718745 520813324 /nfs/dbraw/zinc/81/33/24/520813324.db2.gz GPHGEGZADSTYJW-QGZVFWFLSA-N -1 3 359.470 2.920 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cc(F)c[n-]c3=O)CC2)c(F)c1 ZINC000598735090 520817307 /nfs/dbraw/zinc/81/73/07/520817307.db2.gz NOSAVDJFYDQNGT-UHFFFAOYSA-N -1 3 359.332 2.621 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(Cc2ccsc2)C1 ZINC000598778216 520841653 /nfs/dbraw/zinc/84/16/53/520841653.db2.gz CEWBLBVGAAJMDL-UHFFFAOYSA-N -1 3 355.463 2.971 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596005126 520853811 /nfs/dbraw/zinc/85/38/11/520853811.db2.gz XOHWBMGVPFTARS-UHFFFAOYSA-N -1 3 367.453 2.543 20 30 FFEDHM Cc1cccc([O-])c1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000598987669 520962570 /nfs/dbraw/zinc/96/25/70/520962570.db2.gz LSQKHACGUYVNEB-QGZVFWFLSA-N -1 3 353.397 2.862 20 30 FFEDHM COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593530779 521054236 /nfs/dbraw/zinc/05/42/36/521054236.db2.gz MHXGNZCPDXHJNR-LLVKDONJSA-N -1 3 366.464 2.985 20 30 FFEDHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593542086 521064603 /nfs/dbraw/zinc/06/46/03/521064603.db2.gz DYBCISRXEKJCJA-LLVKDONJSA-N -1 3 366.464 2.546 20 30 FFEDHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593557148 521073328 /nfs/dbraw/zinc/07/33/28/521073328.db2.gz NJGCJCYDQYDYIM-UHFFFAOYSA-N -1 3 358.485 2.799 20 30 FFEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593562722 521078180 /nfs/dbraw/zinc/07/81/80/521078180.db2.gz YBNQDYCIMNPVRZ-HNNXBMFYSA-N -1 3 364.492 2.870 20 30 FFEDHM CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593566967 521081809 /nfs/dbraw/zinc/08/18/09/521081809.db2.gz KSSMDFZISPHOHT-CQSZACIVSA-N -1 3 364.492 2.700 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(F)ccc21 ZINC000593571772 521083852 /nfs/dbraw/zinc/08/38/52/521083852.db2.gz BHLXVMFGRHSQIV-GFCCVEGCSA-N -1 3 352.412 2.951 20 30 FFEDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593574915 521086290 /nfs/dbraw/zinc/08/62/90/521086290.db2.gz AVIKBIVRZDAAMD-SNVBAGLBSA-N -1 3 350.469 2.687 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000593584703 521092362 /nfs/dbraw/zinc/09/23/62/521092362.db2.gz CWAPRYOTIDYWJL-AWEZNQCLSA-N -1 3 361.492 2.815 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000593664211 521138482 /nfs/dbraw/zinc/13/84/82/521138482.db2.gz MOTCAYTVLDDOLS-UHFFFAOYSA-N -1 3 355.257 2.932 20 30 FFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000599316810 521146359 /nfs/dbraw/zinc/14/63/59/521146359.db2.gz NEAMFRMSZZNWRC-UHFFFAOYSA-N -1 3 359.329 2.660 20 30 FFEDHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000611511459 521194165 /nfs/dbraw/zinc/19/41/65/521194165.db2.gz QWRCJJUNCYDRQG-NSHDSACASA-N -1 3 362.407 2.540 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c(Cl)c1 ZINC000611539165 521209377 /nfs/dbraw/zinc/20/93/77/521209377.db2.gz HCJGBFXIONTRKJ-AWEZNQCLSA-N -1 3 372.780 2.502 20 30 FFEDHM Cc1cc2c(cc1C#N)[nH]nc2NC([O-])=C(C[C@H]1CCCO1)C(F)(F)F ZINC000593849884 521248682 /nfs/dbraw/zinc/24/86/82/521248682.db2.gz RBXVYESOBFQQCL-YPMHNXCESA-N -1 3 366.343 2.851 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618893358 521279518 /nfs/dbraw/zinc/27/95/18/521279518.db2.gz KDUFIJCXBLEGMD-INIZCTEOSA-N -1 3 373.416 2.840 20 30 FFEDHM CCN=c1[n-]c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)cs1 ZINC000597185628 521564588 /nfs/dbraw/zinc/56/45/88/521564588.db2.gz ZNJKDKBRJVNQGL-LLVKDONJSA-N -1 3 370.356 2.890 20 30 FFEDHM Cc1ccc([O-])c(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 ZINC000597203485 521571252 /nfs/dbraw/zinc/57/12/52/521571252.db2.gz RJQMVQMJRKLRKH-UHFFFAOYSA-N -1 3 374.448 2.680 20 30 FFEDHM CSc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 ZINC000597240940 521592173 /nfs/dbraw/zinc/59/21/73/521592173.db2.gz ARDFYNYXMRVGSC-MRXNPFEDSA-N -1 3 367.474 2.964 20 30 FFEDHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610563030 554529448 /nfs/dbraw/zinc/52/94/48/554529448.db2.gz PFMDZFGBYKVTPZ-UHFFFAOYSA-N -1 3 360.849 2.541 20 30 FFEDHM N#Cc1ccc(OCC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511370192 561867023 /nfs/dbraw/zinc/86/70/23/561867023.db2.gz GKLCHDZVIHSWIV-UHFFFAOYSA-N -1 3 371.194 2.986 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000737715581 598914553 /nfs/dbraw/zinc/91/45/53/598914553.db2.gz BMFOQDZMURLELX-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000737715581 598914554 /nfs/dbraw/zinc/91/45/54/598914554.db2.gz BMFOQDZMURLELX-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2cccc(F)c2F)ccc1-c1nnn[n-]1 ZINC000737708347 598915886 /nfs/dbraw/zinc/91/58/86/598915886.db2.gz FBUGHJTXVXBDDX-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2cccc(F)c2F)ccc1-c1nn[n-]n1 ZINC000737708347 598915887 /nfs/dbraw/zinc/91/58/87/598915887.db2.gz FBUGHJTXVXBDDX-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM COc1ccccc1C(C)=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737143257 598929616 /nfs/dbraw/zinc/92/96/16/598929616.db2.gz SXUFRWUGHYXWCH-FMIVXFBMSA-N -1 3 360.377 2.789 20 30 FFEDHM COc1ccccc1C(C)=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737143257 598929619 /nfs/dbraw/zinc/92/96/19/598929619.db2.gz SXUFRWUGHYXWCH-FMIVXFBMSA-N -1 3 360.377 2.789 20 30 FFEDHM C=CCn1c(Sc2ncc(-c3nnn[n-]3)cc2Cl)nnc1C1CC1 ZINC000735449370 598935219 /nfs/dbraw/zinc/93/52/19/598935219.db2.gz PGXYNVAMSIRNFT-UHFFFAOYSA-N -1 3 360.834 2.721 20 30 FFEDHM C=CCn1c(Sc2ncc(-c3nn[n-]n3)cc2Cl)nnc1C1CC1 ZINC000735449370 598935220 /nfs/dbraw/zinc/93/52/20/598935220.db2.gz PGXYNVAMSIRNFT-UHFFFAOYSA-N -1 3 360.834 2.721 20 30 FFEDHM O=C1C(=Cc2ccc(-n3cncn3)cc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504456 599114901 /nfs/dbraw/zinc/11/49/01/599114901.db2.gz QHUUQKFULIFDTD-DHDCSXOGSA-N -1 3 369.388 2.660 20 30 FFEDHM O=C1C(=Cc2ccc(-n3cncn3)cc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504456 599114903 /nfs/dbraw/zinc/11/49/03/599114903.db2.gz QHUUQKFULIFDTD-DHDCSXOGSA-N -1 3 369.388 2.660 20 30 FFEDHM C=CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccncc1 ZINC000735409856 599146807 /nfs/dbraw/zinc/14/68/07/599146807.db2.gz MUGGBMLWFDIASQ-MRXNPFEDSA-N -1 3 367.388 2.517 20 30 FFEDHM C=CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccncc1 ZINC000735409856 599146809 /nfs/dbraw/zinc/14/68/09/599146809.db2.gz MUGGBMLWFDIASQ-MRXNPFEDSA-N -1 3 367.388 2.517 20 30 FFEDHM COc1ccc(C=C2COc3c(OC)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737083376 599156114 /nfs/dbraw/zinc/15/61/14/599156114.db2.gz NOAHCWLYZTWYNW-WQLSENKSSA-N -1 3 364.361 2.543 20 30 FFEDHM COc1ccc(C=C2COc3c(OC)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737083376 599156116 /nfs/dbraw/zinc/15/61/16/599156116.db2.gz NOAHCWLYZTWYNW-WQLSENKSSA-N -1 3 364.361 2.543 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000737716402 599194855 /nfs/dbraw/zinc/19/48/55/599194855.db2.gz QNRDMGZQFDISPL-UKRRQHHQSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000737716402 599194857 /nfs/dbraw/zinc/19/48/57/599194857.db2.gz QNRDMGZQFDISPL-UKRRQHHQSA-N -1 3 366.331 2.759 20 30 FFEDHM CN(CC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736779932 599200093 /nfs/dbraw/zinc/20/00/93/599200093.db2.gz MYSMPSQZXINGJE-UHFFFAOYSA-N -1 3 368.784 2.908 20 30 FFEDHM CN(CC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736779932 599200095 /nfs/dbraw/zinc/20/00/95/599200095.db2.gz MYSMPSQZXINGJE-UHFFFAOYSA-N -1 3 368.784 2.908 20 30 FFEDHM CC1CCN([C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c2ccccc2)CC1 ZINC000820238323 597636159 /nfs/dbraw/zinc/63/61/59/597636159.db2.gz MZPLEDIPEVZDMG-FXAWDEMLSA-N -1 3 357.454 2.580 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000821763266 599275116 /nfs/dbraw/zinc/27/51/16/599275116.db2.gz XCZRTRIVYOYMQM-LLVKDONJSA-N -1 3 363.381 2.630 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000821763266 599275119 /nfs/dbraw/zinc/27/51/19/599275119.db2.gz XCZRTRIVYOYMQM-LLVKDONJSA-N -1 3 363.381 2.630 20 30 FFEDHM C=CCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735438070 598309453 /nfs/dbraw/zinc/30/94/53/598309453.db2.gz WQXPVSPUBLOQJK-UHFFFAOYSA-N -1 3 353.357 2.847 20 30 FFEDHM C=CCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735438070 598309454 /nfs/dbraw/zinc/30/94/54/598309454.db2.gz WQXPVSPUBLOQJK-UHFFFAOYSA-N -1 3 353.357 2.847 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1-c1nnn[n-]1 ZINC000822829831 607353009 /nfs/dbraw/zinc/35/30/09/607353009.db2.gz LICSUYTZUBEZCP-ZDUSSCGKSA-N -1 3 350.407 2.858 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1-c1nn[n-]n1 ZINC000822829831 607353011 /nfs/dbraw/zinc/35/30/11/607353011.db2.gz LICSUYTZUBEZCP-ZDUSSCGKSA-N -1 3 350.407 2.858 20 30 FFEDHM C=CCSCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735435966 598429330 /nfs/dbraw/zinc/42/93/30/598429330.db2.gz CFRIPTPKCBSSQQ-UHFFFAOYSA-N -1 3 360.487 2.706 20 30 FFEDHM C=CCSCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735435966 598429333 /nfs/dbraw/zinc/42/93/33/598429333.db2.gz CFRIPTPKCBSSQQ-UHFFFAOYSA-N -1 3 360.487 2.706 20 30 FFEDHM N#CCc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737698038 598545946 /nfs/dbraw/zinc/54/59/46/598545946.db2.gz SGBXFHJTMYEATG-UHFFFAOYSA-N -1 3 370.319 2.786 20 30 FFEDHM N#CCc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737698038 598545947 /nfs/dbraw/zinc/54/59/47/598545947.db2.gz SGBXFHJTMYEATG-UHFFFAOYSA-N -1 3 370.319 2.786 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCc2ccccc2Cl)nc1N ZINC000737704194 598568067 /nfs/dbraw/zinc/56/80/67/598568067.db2.gz HLZDFCCPSCZYHY-UHFFFAOYSA-N -1 3 357.830 2.704 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCc2ccccc2Cl)nc1N ZINC000737704194 598568070 /nfs/dbraw/zinc/56/80/70/598568070.db2.gz HLZDFCCPSCZYHY-UHFFFAOYSA-N -1 3 357.830 2.704 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735506000 598691505 /nfs/dbraw/zinc/69/15/05/598691505.db2.gz YISAHDFCAUGNBE-AXUYNXDZSA-N -1 3 372.432 2.911 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735506000 598691508 /nfs/dbraw/zinc/69/15/08/598691508.db2.gz YISAHDFCAUGNBE-AXUYNXDZSA-N -1 3 372.432 2.911 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735436359 598713314 /nfs/dbraw/zinc/71/33/14/598713314.db2.gz JSEFBODFSNGDIP-UHFFFAOYSA-N -1 3 350.382 2.753 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735436359 598713316 /nfs/dbraw/zinc/71/33/16/598713316.db2.gz JSEFBODFSNGDIP-UHFFFAOYSA-N -1 3 350.382 2.753 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@H](C)C3)nc1 ZINC000735390333 598734663 /nfs/dbraw/zinc/73/46/63/598734663.db2.gz XNAGTIDGBXQPEK-JTQLQIEISA-N -1 3 364.434 2.682 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)nc1 ZINC000735390333 598734665 /nfs/dbraw/zinc/73/46/65/598734665.db2.gz XNAGTIDGBXQPEK-JTQLQIEISA-N -1 3 364.434 2.682 20 30 FFEDHM CSCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737177509 598785402 /nfs/dbraw/zinc/78/54/02/598785402.db2.gz SKKYRTSFGQKJQP-GFCCVEGCSA-N -1 3 370.463 2.920 20 30 FFEDHM CSCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737177509 598785403 /nfs/dbraw/zinc/78/54/03/598785403.db2.gz SKKYRTSFGQKJQP-GFCCVEGCSA-N -1 3 370.463 2.920 20 30 FFEDHM Fc1ccc(C=NOCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822766283 599383133 /nfs/dbraw/zinc/38/31/33/599383133.db2.gz HJYLBHBKIRJQHL-UHFFFAOYSA-N -1 3 365.328 2.607 20 30 FFEDHM Fc1ccc(C=NOCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822766283 599383136 /nfs/dbraw/zinc/38/31/36/599383136.db2.gz HJYLBHBKIRJQHL-UHFFFAOYSA-N -1 3 365.328 2.607 20 30 FFEDHM COc1cc(C)ccc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737040375 599459795 /nfs/dbraw/zinc/45/97/95/599459795.db2.gz OXTVIXMMDJZMGP-ALCCZGGFSA-N -1 3 360.377 2.728 20 30 FFEDHM COc1cc(C)ccc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737040375 599459798 /nfs/dbraw/zinc/45/97/98/599459798.db2.gz OXTVIXMMDJZMGP-ALCCZGGFSA-N -1 3 360.377 2.728 20 30 FFEDHM C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341806 599475745 /nfs/dbraw/zinc/47/57/45/599475745.db2.gz RQGBABCWYAAJGM-ZDUSSCGKSA-N -1 3 361.409 2.641 20 30 FFEDHM C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341806 599475747 /nfs/dbraw/zinc/47/57/47/599475747.db2.gz RQGBABCWYAAJGM-ZDUSSCGKSA-N -1 3 361.409 2.641 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc1 ZINC000819710174 599634170 /nfs/dbraw/zinc/63/41/70/599634170.db2.gz YJROMKVOIXOQMJ-UHFFFAOYSA-N -1 3 358.283 2.514 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc1 ZINC000819710174 599634171 /nfs/dbraw/zinc/63/41/71/599634171.db2.gz YJROMKVOIXOQMJ-UHFFFAOYSA-N -1 3 358.283 2.514 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](O)CCCCC ZINC000819743486 599698108 /nfs/dbraw/zinc/69/81/08/599698108.db2.gz KLEPXBKXFALRPP-KRWDZBQOSA-N -1 3 357.458 2.713 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](O)CCCCC ZINC000819743486 599698109 /nfs/dbraw/zinc/69/81/09/599698109.db2.gz KLEPXBKXFALRPP-KRWDZBQOSA-N -1 3 357.458 2.713 20 30 FFEDHM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825712389 607398800 /nfs/dbraw/zinc/39/88/00/607398800.db2.gz PZLPKVJEPDQQBQ-QGZVFWFLSA-N -1 3 374.404 2.699 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1C#N ZINC000820174254 607406920 /nfs/dbraw/zinc/40/69/20/607406920.db2.gz POJHHIPVNVWKLL-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1C#N ZINC000820174254 607406921 /nfs/dbraw/zinc/40/69/21/607406921.db2.gz POJHHIPVNVWKLL-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000819751491 607459461 /nfs/dbraw/zinc/45/94/61/607459461.db2.gz VYXVGSWNKIWEEH-QGZVFWFLSA-N -1 3 350.357 2.758 20 30 FFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000819751491 607459462 /nfs/dbraw/zinc/45/94/62/607459462.db2.gz VYXVGSWNKIWEEH-QGZVFWFLSA-N -1 3 350.357 2.758 20 30 FFEDHM CN(C)CCN(C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000830604668 601191894 /nfs/dbraw/zinc/19/18/94/601191894.db2.gz SRUSJHUQFISHHW-UHFFFAOYSA-N -1 3 365.433 2.810 20 30 FFEDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000826044293 601202279 /nfs/dbraw/zinc/20/22/79/601202279.db2.gz DTTYOLYWCQSNGN-MAUKXSAKSA-N -1 3 357.454 2.723 20 30 FFEDHM N#Cc1cccc([C@H](NCc2ccc(N3CCCCC3)nc2)C(=O)[O-])c1 ZINC000833074695 601301323 /nfs/dbraw/zinc/30/13/23/601301323.db2.gz DMRDQBHALCNFNK-IBGZPJMESA-N -1 3 350.422 2.859 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000830519403 601323498 /nfs/dbraw/zinc/32/34/98/601323498.db2.gz QXQNPKXSMGQKEC-JKSUJKDBSA-N -1 3 359.426 2.625 20 30 FFEDHM N#Cc1ccc(-c2ccn(CN(C3CC3)C3CCN(C(=O)[O-])CC3)n2)cc1 ZINC000740313616 601912499 /nfs/dbraw/zinc/91/24/99/601912499.db2.gz OYYKXNOVBXHEGN-UHFFFAOYSA-N -1 3 365.437 2.986 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2c(n1)CCCC2 ZINC000823914807 607565385 /nfs/dbraw/zinc/56/53/85/607565385.db2.gz NXCDAYKZBJCXJF-UHFFFAOYSA-N -1 3 374.448 2.969 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(n1)CCCC2 ZINC000823914807 607565386 /nfs/dbraw/zinc/56/53/86/607565386.db2.gz NXCDAYKZBJCXJF-UHFFFAOYSA-N -1 3 374.448 2.969 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)CC1 ZINC000738485232 602629317 /nfs/dbraw/zinc/62/93/17/602629317.db2.gz GLOGMIZZGPBICZ-KRWDZBQOSA-N -1 3 366.506 2.543 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)OCC ZINC000833367676 604566174 /nfs/dbraw/zinc/56/61/74/604566174.db2.gz QTJHBJHBSMBZDN-NQIIRXRSSA-N -1 3 374.481 2.593 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(C(C)C)c1 ZINC000819745546 606160939 /nfs/dbraw/zinc/16/09/39/606160939.db2.gz IQHPSZASLFDVMU-UHFFFAOYSA-N -1 3 366.429 2.864 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(C(C)C)c1 ZINC000819745546 606160941 /nfs/dbraw/zinc/16/09/41/606160941.db2.gz IQHPSZASLFDVMU-UHFFFAOYSA-N -1 3 366.429 2.864 20 30 FFEDHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000822419065 606186795 /nfs/dbraw/zinc/18/67/95/606186795.db2.gz LQGYUVGFUDZCES-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000822419065 606186797 /nfs/dbraw/zinc/18/67/97/606186797.db2.gz LQGYUVGFUDZCES-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM CN(CC#N)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821592358 606318845 /nfs/dbraw/zinc/31/88/45/606318845.db2.gz BSWMTWDFNHVCGL-UHFFFAOYSA-N -1 3 350.407 2.613 20 30 FFEDHM CN(CC#N)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821592358 606318846 /nfs/dbraw/zinc/31/88/46/606318846.db2.gz BSWMTWDFNHVCGL-UHFFFAOYSA-N -1 3 350.407 2.613 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820530216 606344474 /nfs/dbraw/zinc/34/44/74/606344474.db2.gz XYDMUILZABJQCX-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822924250 606391666 /nfs/dbraw/zinc/39/16/66/606391666.db2.gz ZLSRGNMEUSLULX-DAFODLJHSA-N -1 3 367.312 2.944 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822801130 606445410 /nfs/dbraw/zinc/44/54/10/606445410.db2.gz FBZCSMNTNDISMQ-ROUUACIJSA-N -1 3 358.405 2.779 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801130 606445412 /nfs/dbraw/zinc/44/54/12/606445412.db2.gz FBZCSMNTNDISMQ-ROUUACIJSA-N -1 3 358.405 2.779 20 30 FFEDHM N#Cc1cc(F)c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c(F)c1 ZINC000822819570 606664808 /nfs/dbraw/zinc/66/48/08/606664808.db2.gz WPMAGYMQMJHMDL-UHFFFAOYSA-N -1 3 372.360 2.819 20 30 FFEDHM N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822818836 606665767 /nfs/dbraw/zinc/66/57/67/606665767.db2.gz HINLHAPLNBTKRE-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1cc(F)c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822818836 606665768 /nfs/dbraw/zinc/66/57/68/606665768.db2.gz HINLHAPLNBTKRE-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820386158 606666720 /nfs/dbraw/zinc/66/67/20/606666720.db2.gz WWUJYMBKFWPYBF-SECBINFHSA-N -1 3 354.320 2.508 20 30 FFEDHM C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820386158 606666721 /nfs/dbraw/zinc/66/67/21/606666721.db2.gz WWUJYMBKFWPYBF-SECBINFHSA-N -1 3 354.320 2.508 20 30 FFEDHM C#CCOc1ccccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819710135 606838692 /nfs/dbraw/zinc/83/86/92/606838692.db2.gz XBRMDSOJDFQWMU-UHFFFAOYSA-N -1 3 350.378 2.727 20 30 FFEDHM C#CCOc1ccccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819710135 606838694 /nfs/dbraw/zinc/83/86/94/606838694.db2.gz XBRMDSOJDFQWMU-UHFFFAOYSA-N -1 3 350.378 2.727 20 30 FFEDHM C=CCC(CC=C)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819733809 606923494 /nfs/dbraw/zinc/92/34/94/606923494.db2.gz BOHLQPXEIWPVNS-UHFFFAOYSA-N -1 3 355.442 2.610 20 30 FFEDHM C=CCC(CC=C)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819733809 606923496 /nfs/dbraw/zinc/92/34/96/606923496.db2.gz BOHLQPXEIWPVNS-UHFFFAOYSA-N -1 3 355.442 2.610 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1NCCNc1ncccc1-c1nnn[n-]1 ZINC000822819603 606925001 /nfs/dbraw/zinc/92/50/01/606925001.db2.gz XVBHEYCUGZUFQB-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1NCCNc1ncccc1-c1nn[n-]n1 ZINC000822819603 606925002 /nfs/dbraw/zinc/92/50/02/606925002.db2.gz XVBHEYCUGZUFQB-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NCC)cc1 ZINC000819709564 607143568 /nfs/dbraw/zinc/14/35/68/607143568.db2.gz JJUCDUZYBZRZTH-UHFFFAOYSA-N -1 3 362.393 2.563 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccc(F)cc2F)ccc1-c1nnn[n-]1 ZINC000826384250 607785976 /nfs/dbraw/zinc/78/59/76/607785976.db2.gz NDOALEPFUHMXPJ-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccc(F)cc2F)ccc1-c1nn[n-]n1 ZINC000826384250 607785977 /nfs/dbraw/zinc/78/59/77/607785977.db2.gz NDOALEPFUHMXPJ-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM Fc1cccc(F)c1-c1n[nH]cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826377035 607886170 /nfs/dbraw/zinc/88/61/70/607886170.db2.gz BFMPNUNCJFXYJC-UHFFFAOYSA-N -1 3 366.335 2.981 20 30 FFEDHM C#CC[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823839045 607940325 /nfs/dbraw/zinc/94/03/25/607940325.db2.gz YZIIQQJNLCIHRC-SFHVURJKSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CC[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823839045 607940326 /nfs/dbraw/zinc/94/03/26/607940326.db2.gz YZIIQQJNLCIHRC-SFHVURJKSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837838 607956200 /nfs/dbraw/zinc/95/62/00/607956200.db2.gz HBFKTRWONMTNTO-KSSFIOAISA-N -1 3 361.405 2.515 20 30 FFEDHM CCOc1ccc(C=NOCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825638810 607971766 /nfs/dbraw/zinc/97/17/66/607971766.db2.gz PJOWXLGXAZROFR-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM CCOc1ccc(C=NOCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825638810 607971767 /nfs/dbraw/zinc/97/17/67/607971767.db2.gz PJOWXLGXAZROFR-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000824763634 608070171 /nfs/dbraw/zinc/07/01/71/608070171.db2.gz OHLYHFNNDORADW-KUHUBIRLSA-N -1 3 360.421 2.873 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824045569 608156982 /nfs/dbraw/zinc/15/69/82/608156982.db2.gz MOVVQKWAJYIPDD-VIFPVBQESA-N -1 3 354.320 2.759 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824045569 608156983 /nfs/dbraw/zinc/15/69/83/608156983.db2.gz MOVVQKWAJYIPDD-VIFPVBQESA-N -1 3 354.320 2.759 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824108673 608289141 /nfs/dbraw/zinc/28/91/41/608289141.db2.gz IHJXBTRCROWDFY-ZDUSSCGKSA-N -1 3 357.418 2.712 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824108673 608289143 /nfs/dbraw/zinc/28/91/43/608289143.db2.gz IHJXBTRCROWDFY-ZDUSSCGKSA-N -1 3 357.418 2.712 20 30 FFEDHM N#Cc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1 ZINC000826384569 608442616 /nfs/dbraw/zinc/44/26/16/608442616.db2.gz ARPWXLYXYNOQFO-UHFFFAOYSA-N -1 3 373.376 2.940 20 30 FFEDHM N#Cc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cc1 ZINC000826384569 608442618 /nfs/dbraw/zinc/44/26/18/608442618.db2.gz ARPWXLYXYNOQFO-UHFFFAOYSA-N -1 3 373.376 2.940 20 30 FFEDHM C#C[C@@H](OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823839035 608454726 /nfs/dbraw/zinc/45/47/26/608454726.db2.gz YVBIRCCTJWTBTE-MRXNPFEDSA-N -1 3 364.361 2.607 20 30 FFEDHM C#C[C@@H](OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823839035 608454728 /nfs/dbraw/zinc/45/47/28/608454728.db2.gz YVBIRCCTJWTBTE-MRXNPFEDSA-N -1 3 364.361 2.607 20 30 FFEDHM COc1ccccc1CC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826219451 608535985 /nfs/dbraw/zinc/53/59/85/608535985.db2.gz CIERAUCHOMMYAU-UHFFFAOYSA-N -1 3 357.805 2.954 20 30 FFEDHM COc1ccccc1CC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826219451 608535986 /nfs/dbraw/zinc/53/59/86/608535986.db2.gz CIERAUCHOMMYAU-UHFFFAOYSA-N -1 3 357.805 2.954 20 30 FFEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1C1CC1 ZINC000823937040 608668735 /nfs/dbraw/zinc/66/87/35/608668735.db2.gz FYOXUJLGDNSSHG-UHFFFAOYSA-N -1 3 357.418 2.953 20 30 FFEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1C1CC1 ZINC000823937040 608668737 /nfs/dbraw/zinc/66/87/37/608668737.db2.gz FYOXUJLGDNSSHG-UHFFFAOYSA-N -1 3 357.418 2.953 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826211014 608874087 /nfs/dbraw/zinc/87/40/87/608874087.db2.gz MIJDGMUHEUZIHT-QPJJXVBHSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826211014 608874089 /nfs/dbraw/zinc/87/40/89/608874089.db2.gz MIJDGMUHEUZIHT-QPJJXVBHSA-N -1 3 354.341 2.919 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(C#N)CCCC1 ZINC000824206419 609156282 /nfs/dbraw/zinc/15/62/82/609156282.db2.gz DIWODPKHAWTOIC-INIZCTEOSA-N -1 3 369.425 2.897 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1(C#N)CCCC1 ZINC000824206419 609156283 /nfs/dbraw/zinc/15/62/83/609156283.db2.gz DIWODPKHAWTOIC-INIZCTEOSA-N -1 3 369.425 2.897 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000826178504 609271748 /nfs/dbraw/zinc/27/17/48/609271748.db2.gz ALQDJRBNMWOANA-CLTKARDFSA-N -1 3 369.312 2.819 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000826178504 609271749 /nfs/dbraw/zinc/27/17/49/609271749.db2.gz ALQDJRBNMWOANA-CLTKARDFSA-N -1 3 369.312 2.819 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000823909566 609315752 /nfs/dbraw/zinc/31/57/52/609315752.db2.gz JJGJUSPBHIOTHT-SFHVURJKSA-N -1 3 365.412 2.962 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](F)Cc1ccccc1 ZINC000823909566 609315753 /nfs/dbraw/zinc/31/57/53/609315753.db2.gz JJGJUSPBHIOTHT-SFHVURJKSA-N -1 3 365.412 2.962 20 30 FFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)SCC(=O)N2 ZINC000823958120 609409768 /nfs/dbraw/zinc/40/97/68/609409768.db2.gz CXZMNKXMFWONTE-UHFFFAOYSA-N -1 3 371.451 2.809 20 30 FFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)SCC(=O)N2 ZINC000823958120 609409771 /nfs/dbraw/zinc/40/97/71/609409771.db2.gz CXZMNKXMFWONTE-UHFFFAOYSA-N -1 3 371.451 2.809 20 30 FFEDHM C[C@@H](C#N)CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824033824 609410970 /nfs/dbraw/zinc/41/09/70/609410970.db2.gz BXGDBMWXOWHINJ-NSHDSACASA-N -1 3 367.438 2.554 20 30 FFEDHM N#CCC1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826380695 609423820 /nfs/dbraw/zinc/42/38/20/609423820.db2.gz JRVWIIWTKXDOGG-UHFFFAOYSA-N -1 3 365.224 2.939 20 30 FFEDHM N#CCC1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826380695 609423822 /nfs/dbraw/zinc/42/38/22/609423822.db2.gz JRVWIIWTKXDOGG-UHFFFAOYSA-N -1 3 365.224 2.939 20 30 FFEDHM Cn1c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)nc2ccccc21 ZINC000826355129 609472727 /nfs/dbraw/zinc/47/27/27/609472727.db2.gz LACIAPOBNFGXNZ-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM Cn1c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)nc2ccccc21 ZINC000826355129 609472730 /nfs/dbraw/zinc/47/27/30/609472730.db2.gz LACIAPOBNFGXNZ-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@](C)(C#N)C1 ZINC000826267904 609601336 /nfs/dbraw/zinc/60/13/36/609601336.db2.gz BJEKDAKIAJXRDO-SFHVURJKSA-N -1 3 351.389 2.993 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@](C)(C#N)C1 ZINC000826267904 609601338 /nfs/dbraw/zinc/60/13/38/609601338.db2.gz BJEKDAKIAJXRDO-SFHVURJKSA-N -1 3 351.389 2.993 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824034451 609625119 /nfs/dbraw/zinc/62/51/19/609625119.db2.gz JYZFGNALHQMMQE-OCHBPSSRSA-N -1 3 360.377 2.809 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824034451 609625121 /nfs/dbraw/zinc/62/51/21/609625121.db2.gz JYZFGNALHQMMQE-OCHBPSSRSA-N -1 3 360.377 2.809 20 30 FFEDHM CCOc1cc(C=Nn2cnnc2-n2nc(C)cc2C)cc(Cl)c1[O-] ZINC000744755883 735375981 /nfs/dbraw/zinc/37/59/81/735375981.db2.gz YMALTOLXDXUVHW-UHFFFAOYSA-N -1 3 360.805 2.721 20 30 FFEDHM N#CCCNC(=O)COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746077841 735461689 /nfs/dbraw/zinc/46/16/89/735461689.db2.gz CKOPOTFFIGZXSC-UHFFFAOYSA-N -1 3 358.781 2.899 20 30 FFEDHM C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000028297691 727884986 /nfs/dbraw/zinc/88/49/86/727884986.db2.gz CLPHOMWMRXONIR-ZETCQYMHSA-N -1 3 363.222 2.503 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2)ccc1F ZINC000029051727 727890431 /nfs/dbraw/zinc/89/04/31/727890431.db2.gz LWOIEZDYGDFILM-UHFFFAOYSA-N -1 3 352.362 2.681 20 30 FFEDHM CCOc1cc(C=NNC(=S)NCC(F)(F)F)cc(Cl)c1[O-] ZINC000746495801 735488734 /nfs/dbraw/zinc/48/87/34/735488734.db2.gz TZIUOYGRHJIFLV-UHFFFAOYSA-N -1 3 355.769 2.805 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000131606906 728722665 /nfs/dbraw/zinc/72/26/65/728722665.db2.gz YXBRFVFNPFNWAO-LLVKDONJSA-N -1 3 362.382 2.987 20 30 FFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000173741366 729052970 /nfs/dbraw/zinc/05/29/70/729052970.db2.gz MBJLRZAKHGTYRW-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccco2)ccc1F ZINC000248154313 729602007 /nfs/dbraw/zinc/60/20/07/729602007.db2.gz YOUIBHBEEKLHOP-LBPRGKRZSA-N -1 3 366.414 2.716 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Br)s2)CCOCC1 ZINC000657127049 731733158 /nfs/dbraw/zinc/73/31/58/731733158.db2.gz AVPLFYJURSUUHD-UHFFFAOYSA-N -1 3 366.302 2.914 20 30 FFEDHM C#CC1(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCC1 ZINC000878410623 732528257 /nfs/dbraw/zinc/52/82/57/732528257.db2.gz ZZDHWNPKWKOZKC-UHFFFAOYSA-N -1 3 365.455 2.524 20 30 FFEDHM C=C1CCC(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000926545199 738628451 /nfs/dbraw/zinc/62/84/51/738628451.db2.gz VJCVYQUKXNFSTA-CQSZACIVSA-N -1 3 361.408 2.833 20 30 FFEDHM CC(=O)Nc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000781593319 738639276 /nfs/dbraw/zinc/63/92/76/738639276.db2.gz WDSYGAHIDZFWIV-UHFFFAOYSA-N -1 3 359.451 2.531 20 30 FFEDHM C=CCCOCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000673934526 733660749 /nfs/dbraw/zinc/66/07/49/733660749.db2.gz HXQIEMIBVWCZGH-UHFFFAOYSA-N -1 3 366.845 2.815 20 30 FFEDHM Cc1ncc(CO)c(C=NNc2ccc(OCC(F)(F)F)cc2)c1[O-] ZINC000727261575 734474736 /nfs/dbraw/zinc/47/47/36/734474736.db2.gz DRMKKNNOHYPQMW-UHFFFAOYSA-N -1 3 355.316 2.975 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC[C@H](C)CC2)ccc1F ZINC000730984986 734660590 /nfs/dbraw/zinc/66/05/90/734660590.db2.gz LKQOLWDACMBCDV-MQMHXKEQSA-N -1 3 354.447 2.599 20 30 FFEDHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895166962 734970375 /nfs/dbraw/zinc/97/03/75/734970375.db2.gz VTLHBAIBHRLGGK-OAHLLOKOSA-N -1 3 366.824 2.502 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CCCCC2)ccc1F ZINC000741588972 735151414 /nfs/dbraw/zinc/15/14/14/735151414.db2.gz SSMZPNVMCSAJDS-ZDUSSCGKSA-N -1 3 368.474 2.989 20 30 FFEDHM O=C(c1ccc(I)cn1)N([O-])Cc1ccc(F)cc1 ZINC000900093952 735600841 /nfs/dbraw/zinc/60/08/41/735600841.db2.gz CRJOYDUSSSAQBG-UHFFFAOYSA-N -1 3 372.137 2.857 20 30 FFEDHM C=C(C)C[C@@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000901681271 735818470 /nfs/dbraw/zinc/81/84/70/735818470.db2.gz GZFVWTHSEFUDDI-CYBMUJFWSA-N -1 3 365.231 2.539 20 30 FFEDHM C=CCC[C@H](NCc1c(Br)cc(OC)cc1OC)C(=O)[O-] ZINC000901689329 735820420 /nfs/dbraw/zinc/82/04/20/735820420.db2.gz DCDXIOMTCNKDLP-ZDUSSCGKSA-N -1 3 358.232 2.975 20 30 FFEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1cccc2ccsc21 ZINC000752377714 735981169 /nfs/dbraw/zinc/98/11/69/735981169.db2.gz ZJZCBWHPKLVTBM-UHFFFAOYSA-N -1 3 371.443 2.579 20 30 FFEDHM C#C[C@@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000754358189 736150714 /nfs/dbraw/zinc/15/07/14/736150714.db2.gz UETGWBBGNCNNIL-AWEZNQCLSA-N -1 3 360.410 2.768 20 30 FFEDHM CC1(Cn2cc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)nn2)COC1 ZINC000904181867 736231109 /nfs/dbraw/zinc/23/11/09/736231109.db2.gz ZIMGMKLSQXOPFN-UHFFFAOYSA-N -1 3 371.224 2.653 20 30 FFEDHM COC(=O)c1ccn(CCCC(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000904192167 736231739 /nfs/dbraw/zinc/23/17/39/736231739.db2.gz CHOKDKOSEFJOFS-UHFFFAOYSA-N -1 3 351.790 2.521 20 30 FFEDHM O=C(Cc1csc(N2CCCC2=O)n1)N([O-])Cc1ccccc1Cl ZINC000904187770 736231828 /nfs/dbraw/zinc/23/18/28/736231828.db2.gz SRSLKTDFCXHICS-UHFFFAOYSA-N -1 3 365.842 2.884 20 30 FFEDHM Cc1ccc(S(=O)(=O)NN=Cc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC000755471845 736255976 /nfs/dbraw/zinc/25/59/76/736255976.db2.gz MHDHWBGBWXDVLL-UHFFFAOYSA-N -1 3 369.786 2.575 20 30 FFEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-]CC1(CF)CCOCC1 ZINC000907223683 736598700 /nfs/dbraw/zinc/59/87/00/736598700.db2.gz BRGGTDCIDSGFCV-UHFFFAOYSA-N -1 3 368.455 2.818 20 30 FFEDHM CCOC(=O)[C@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@@H](C)C1 ZINC000761267250 736716002 /nfs/dbraw/zinc/71/60/02/736716002.db2.gz QDIFUIXQXOXFRI-HOCLYGCPSA-N -1 3 366.483 2.504 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908752019 736826208 /nfs/dbraw/zinc/82/62/08/736826208.db2.gz INXJKGYISGGFDS-HOTGVXAUSA-N -1 3 367.877 2.747 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NC[C@H](c1ccsc1)N(CC)CC)C(=O)[O-] ZINC000908801636 736834461 /nfs/dbraw/zinc/83/44/61/736834461.db2.gz JXBYCVTWRRSQJE-LSDHHAIUSA-N -1 3 353.488 2.850 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908885130 736852067 /nfs/dbraw/zinc/85/20/67/736852067.db2.gz RATODBBVNUWOJP-KBMXLJTQSA-N -1 3 365.861 2.717 20 30 FFEDHM COc1cccc(S(C)(=O)=O)c1N=NC(C)c1ccc(F)cc1[O-] ZINC000767393191 737321161 /nfs/dbraw/zinc/32/11/61/737321161.db2.gz CVCMZQMHUOMMDF-UHFFFAOYSA-N -1 3 352.387 2.780 20 30 FFEDHM COc1ncc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)s1 ZINC000915866147 737661325 /nfs/dbraw/zinc/66/13/25/737661325.db2.gz QXKMCFIIKJTLPS-ZDUSSCGKSA-N -1 3 351.453 2.865 20 30 FFEDHM COc1c([O-])c(CN=Nc2c(F)c(F)nc(F)c2F)ccc1[N+](=O)[O-] ZINC000773020226 737863966 /nfs/dbraw/zinc/86/39/66/737863966.db2.gz XMIVYWIFIIKOLB-UHFFFAOYSA-N -1 3 360.223 2.706 20 30 FFEDHM C=C(CC)COC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773431585 737905802 /nfs/dbraw/zinc/90/58/02/737905802.db2.gz YUULSWAALJLYKO-OAHLLOKOSA-N -1 3 364.467 2.649 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC3(C2)CCCCC3)ccc1F ZINC000773720858 737931036 /nfs/dbraw/zinc/93/10/36/737931036.db2.gz HYCYLTGWSWKYDW-UHFFFAOYSA-N -1 3 366.458 2.696 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ncc(Cl)n1C ZINC000773885036 737942781 /nfs/dbraw/zinc/94/27/81/737942781.db2.gz QLDFCJQZSKGDFC-LLVKDONJSA-N -1 3 362.817 2.900 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000776016094 738152627 /nfs/dbraw/zinc/15/26/27/738152627.db2.gz LIQKNOKPRPXKIY-ZDUSSCGKSA-N -1 3 356.463 2.987 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H](C#N)C2CCCCC2)ccc1F ZINC000776382569 738189012 /nfs/dbraw/zinc/18/90/12/738189012.db2.gz WOQDVHPJEJAAQS-HNNXBMFYSA-N -1 3 354.403 2.826 20 30 FFEDHM C#CC1(O)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000931145794 739218808 /nfs/dbraw/zinc/21/88/08/739218808.db2.gz FQFZVBKUGPCHIR-UHFFFAOYSA-N -1 3 355.419 2.617 20 30 FFEDHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c(C)c1Cl ZINC000788549879 739257597 /nfs/dbraw/zinc/25/75/97/739257597.db2.gz WYXMTOPZQGFRKI-QMMMGPOBSA-N -1 3 364.876 2.713 20 30 FFEDHM COc1ccc(CNC(=S)NN=Cc2c(F)ccc([O-])c2F)cc1 ZINC000794474275 739895953 /nfs/dbraw/zinc/89/59/53/739895953.db2.gz JUIWFSGZQDFTLC-UHFFFAOYSA-N -1 3 351.378 2.677 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794934527 739944352 /nfs/dbraw/zinc/94/43/52/739944352.db2.gz SZJFOKSUXPEBDP-VQHVLOKHSA-N -1 3 367.373 2.817 20 30 FFEDHM N#Cc1ccc(COC(=O)c2cccc3nn[n-]c32)c(Br)c1 ZINC000800206361 740501155 /nfs/dbraw/zinc/50/11/55/740501155.db2.gz BPHZRKSUFYSHQI-UHFFFAOYSA-N -1 3 357.167 2.949 20 30 FFEDHM N#Cc1ccc(COC(=O)c2cccc3[n-]nnc32)c(Br)c1 ZINC000800206361 740501160 /nfs/dbraw/zinc/50/11/60/740501160.db2.gz BPHZRKSUFYSHQI-UHFFFAOYSA-N -1 3 357.167 2.949 20 30 FFEDHM N#Cc1ccc(COC(=O)c2cccc3n[n-]nc32)c(Br)c1 ZINC000800206361 740501163 /nfs/dbraw/zinc/50/11/63/740501163.db2.gz BPHZRKSUFYSHQI-UHFFFAOYSA-N -1 3 357.167 2.949 20 30 FFEDHM Cn1ncc2c1nc(N=NC1CCc3cc(Br)ccc31)[n-]c2=O ZINC000814847855 741869500 /nfs/dbraw/zinc/86/95/00/741869500.db2.gz HRWBWVFYHUKPCA-UHFFFAOYSA-N -1 3 373.214 2.594 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CC[C@@H]2CNc3cccc1c32 ZINC000814858599 741870383 /nfs/dbraw/zinc/87/03/83/741870383.db2.gz DEYFQEOTVTVFHC-OAHLLOKOSA-N -1 3 355.463 2.856 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2ccccc2cc1OC(F)F ZINC000820476911 742509871 /nfs/dbraw/zinc/50/98/71/742509871.db2.gz RQUAYCUHFSXJFC-CYBMUJFWSA-N -1 3 350.321 2.551 20 30 FFEDHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820482516 742510734 /nfs/dbraw/zinc/51/07/34/742510734.db2.gz MCFDTKISUKSEGX-JSGCOSHPSA-N -1 3 358.360 2.771 20 30 FFEDHM N#Cc1ccc([C@@H](Sc2cccc(Cl)c2-c2nnn[n-]2)C(N)=O)cc1 ZINC000826384700 743383230 /nfs/dbraw/zinc/38/32/30/743383230.db2.gz GIDJEWORVSOCHT-CQSZACIVSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1ccc([C@@H](Sc2cccc(Cl)c2-c2nn[n-]n2)C(N)=O)cc1 ZINC000826384700 743383233 /nfs/dbraw/zinc/38/32/33/743383233.db2.gz GIDJEWORVSOCHT-CQSZACIVSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1c(Cl)nsc1N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001054862137 745037829 /nfs/dbraw/zinc/03/78/29/745037829.db2.gz WOUZJHNWAOBUKV-ICCXJUOJSA-N -1 3 374.853 2.913 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2n(n1)CCCC2 ZINC000835065654 745943358 /nfs/dbraw/zinc/94/33/58/745943358.db2.gz PNKUPQJZLYPNHD-GFCCVEGCSA-N -1 3 360.776 2.973 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C2CC2)C2CCC2)ccc1F ZINC000837248270 746403408 /nfs/dbraw/zinc/40/34/08/746403408.db2.gz BCGGHUUPFYYLJG-QGZVFWFLSA-N -1 3 366.458 2.599 20 30 FFEDHM Cc1cc(Br)c(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1Cl ZINC000848132735 748850126 /nfs/dbraw/zinc/85/01/26/748850126.db2.gz OYOVQXXXDQRCRH-LLVKDONJSA-N -1 3 361.623 2.521 20 30 FFEDHM Cc1cc2c(o1)c(C(=O)N[C@H]1CCCN([O-])C1=O)ccc2Br ZINC000848133806 748851211 /nfs/dbraw/zinc/85/12/11/748851211.db2.gz HMZFWEWYWXKHIS-LBPRGKRZSA-N -1 3 367.199 2.614 20 30 FFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000851875505 749714645 /nfs/dbraw/zinc/71/46/45/749714645.db2.gz RORNWPJSOPJLJD-UHFFFAOYSA-N -1 3 371.933 2.828 20 30 FFEDHM COc1ccc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737088813 944957132 /nfs/dbraw/zinc/95/71/32/944957132.db2.gz OYKKCRJXXHUWGZ-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM COc1ccc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737088813 944957138 /nfs/dbraw/zinc/95/71/38/944957138.db2.gz OYKKCRJXXHUWGZ-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001573281924 946682013 /nfs/dbraw/zinc/68/20/13/946682013.db2.gz CPGVHPDVEIDXSR-UHFFFAOYSA-N -1 3 351.341 2.660 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001573281924 946682021 /nfs/dbraw/zinc/68/20/21/946682021.db2.gz CPGVHPDVEIDXSR-UHFFFAOYSA-N -1 3 351.341 2.660 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC([C@@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573300613 947117846 /nfs/dbraw/zinc/11/78/46/947117846.db2.gz LYOSAYVWQCQLKH-CYBMUJFWSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC([C@@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573300613 947117850 /nfs/dbraw/zinc/11/78/50/947117850.db2.gz LYOSAYVWQCQLKH-CYBMUJFWSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573304850 947143614 /nfs/dbraw/zinc/14/36/14/947143614.db2.gz HUOIKNOURUCNBX-ZIAGYGMSSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573304850 947143626 /nfs/dbraw/zinc/14/36/26/947143626.db2.gz HUOIKNOURUCNBX-ZIAGYGMSSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCN(CCC)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573305948 947165751 /nfs/dbraw/zinc/16/57/51/947165751.db2.gz HSNZXKSAAZMJKC-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCN(CCC)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573305948 947165756 /nfs/dbraw/zinc/16/57/56/947165756.db2.gz HSNZXKSAAZMJKC-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573306237 947170055 /nfs/dbraw/zinc/17/00/55/947170055.db2.gz ZEQRMQRYFCIPTI-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573306237 947170060 /nfs/dbraw/zinc/17/00/60/947170060.db2.gz ZEQRMQRYFCIPTI-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001573309722 947208255 /nfs/dbraw/zinc/20/82/55/947208255.db2.gz NLRUCERZBBUAOA-SFHVURJKSA-N -1 3 351.366 2.535 20 30 FFEDHM C=C[C@](C)(O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001573309722 947208263 /nfs/dbraw/zinc/20/82/63/947208263.db2.gz NLRUCERZBBUAOA-SFHVURJKSA-N -1 3 351.366 2.535 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573318337 947305547 /nfs/dbraw/zinc/30/55/47/947305547.db2.gz ASTLJGIBWWFYQE-HDJSIYSDSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573318337 947305561 /nfs/dbraw/zinc/30/55/61/947305561.db2.gz ASTLJGIBWWFYQE-HDJSIYSDSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001573319781 947335587 /nfs/dbraw/zinc/33/55/87/947335587.db2.gz QZJRMTVFWDOSES-CQSZACIVSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001573319781 947335600 /nfs/dbraw/zinc/33/56/00/947335600.db2.gz QZJRMTVFWDOSES-CQSZACIVSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573334523 947457339 /nfs/dbraw/zinc/45/73/39/947457339.db2.gz NLCPANRKSAGEME-GJZGRUSLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573334523 947457346 /nfs/dbraw/zinc/45/73/46/947457346.db2.gz NLCPANRKSAGEME-GJZGRUSLSA-N -1 3 369.473 2.657 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826163377 947512161 /nfs/dbraw/zinc/51/21/61/947512161.db2.gz RMTMIINACJAEMO-VQHVLOKHSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826163377 947512167 /nfs/dbraw/zinc/51/21/67/947512167.db2.gz RMTMIINACJAEMO-VQHVLOKHSA-N -1 3 368.368 2.927 20 30 FFEDHM N#Cc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)o1 ZINC000826385130 948187454 /nfs/dbraw/zinc/18/74/54/948187454.db2.gz YLENFZOXQAZXSW-UHFFFAOYSA-N -1 3 366.772 2.783 20 30 FFEDHM N#Cc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)o1 ZINC000826385130 948187463 /nfs/dbraw/zinc/18/74/63/948187463.db2.gz YLENFZOXQAZXSW-UHFFFAOYSA-N -1 3 366.772 2.783 20 30 FFEDHM C=C1CCC(C(=O)N2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)CC1 ZINC001021117128 960980249 /nfs/dbraw/zinc/98/02/49/960980249.db2.gz DSLYDCMHOMSPTP-FUHWJXTLSA-N -1 3 354.450 2.812 20 30 FFEDHM N#Cc1cccc(-c2noc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212972911 1013429082 /nfs/dbraw/zinc/42/90/82/1013429082.db2.gz LSOZGSMTGVHHDF-UHFFFAOYSA-N -1 3 350.216 2.925 20 30 FFEDHM C=C1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)CC1 ZINC000971374210 963699553 /nfs/dbraw/zinc/69/95/53/963699553.db2.gz UHLKDCWIAADHHV-SJLPKXTDSA-N -1 3 354.450 2.812 20 30 FFEDHM CC(C)(C)COS(=O)(=O)c1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001176261047 1013673015 /nfs/dbraw/zinc/67/30/15/1013673015.db2.gz YKAXVMAEIFZUTD-UHFFFAOYSA-N -1 3 369.468 2.966 20 30 FFEDHM N#CCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc([O-])cc1)CC2 ZINC001270959848 967874459 /nfs/dbraw/zinc/87/44/59/967874459.db2.gz FHDRHWQSOPLBTI-UHFFFAOYSA-N -1 3 355.438 2.541 20 30 FFEDHM O=C(c1ccccc1[O-])N1CC[C@H]2CN(CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001075563079 973663126 /nfs/dbraw/zinc/66/31/26/973663126.db2.gz KVOOYZOPEDKJCB-FXAWDEMLSA-N -1 3 364.420 2.729 20 30 FFEDHM CCCN(C)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001603655192 974028985 /nfs/dbraw/zinc/02/89/85/974028985.db2.gz XGXRKYUPZNOKLE-MAUKXSAKSA-N -1 3 365.861 2.844 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000661413531 974252777 /nfs/dbraw/zinc/25/27/77/974252777.db2.gz DVEKISALVZXEAW-SJLPKXTDSA-N -1 3 371.481 2.995 20 30 FFEDHM Cc1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000104901258 975303455 /nfs/dbraw/zinc/30/34/55/975303455.db2.gz QEVGSPHQKHEGFV-UHFFFAOYSA-N -1 3 352.390 2.531 20 30 FFEDHM C=CCC[C@@H](C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)c1ccccc1 ZINC000899498082 977192711 /nfs/dbraw/zinc/19/27/11/977192711.db2.gz KXGBGFPBRXVESX-GOSISDBHSA-N -1 3 366.465 2.889 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnc2nccnc2c1 ZINC000760184330 980186709 /nfs/dbraw/zinc/18/67/09/980186709.db2.gz SVLNVEWEWLNXLE-LLVKDONJSA-N -1 3 369.743 2.778 20 30 FFEDHM Cc1coc([N-]C(=O)c2cn3nc(Br)sc3n2)c1C#N ZINC001152079332 1032099903 /nfs/dbraw/zinc/09/99/03/1032099903.db2.gz KXCBZSFQSBQPNS-UHFFFAOYSA-N -1 3 352.173 2.579 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1 ZINC000129042619 980572093 /nfs/dbraw/zinc/57/20/93/980572093.db2.gz GGHIJCXFUGARAF-CQSZACIVSA-N -1 3 354.410 2.998 20 30 FFEDHM C#CCN1CCC(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC1 ZINC000909847517 981731294 /nfs/dbraw/zinc/73/12/94/981731294.db2.gz MRRWELIBURNPLM-UHFFFAOYSA-N -1 3 369.465 2.659 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C)c([N+](=O)[O-])c1 ZINC000129838422 984771663 /nfs/dbraw/zinc/77/16/63/984771663.db2.gz QVDOUWQIQMRRPW-CYBMUJFWSA-N -1 3 353.334 2.873 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCOC12CCCCC2 ZINC000888301332 985051643 /nfs/dbraw/zinc/05/16/43/985051643.db2.gz OVOQYWORIUTMMH-KRWDZBQOSA-N -1 3 357.454 2.816 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000153289457 987842080 /nfs/dbraw/zinc/84/20/80/987842080.db2.gz AWJWIYAEVLVXKA-CQSZACIVSA-N -1 3 369.446 2.783 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C#N)Cc1cccs1 ZINC000153289357 987842317 /nfs/dbraw/zinc/84/23/17/987842317.db2.gz AWJWIYAEVLVXKA-AWEZNQCLSA-N -1 3 369.446 2.783 20 30 FFEDHM COc1cc(C=NNc2nnc(-c3ccccc3)n2C)c([N+](=O)[O-])cc1[O-] ZINC000915968002 989716077 /nfs/dbraw/zinc/71/60/77/989716077.db2.gz OGXCYLDBYFMKAI-UHFFFAOYSA-N -1 3 368.353 2.551 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1 ZINC000916930128 990034530 /nfs/dbraw/zinc/03/45/30/990034530.db2.gz VNCCPULSAOXXAF-LBPRGKRZSA-N -1 3 369.333 2.573 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)cc1 ZINC000916937753 990037586 /nfs/dbraw/zinc/03/75/86/990037586.db2.gz DQXZVWJYYGVLIT-AWEZNQCLSA-N -1 3 371.418 2.898 20 30 FFEDHM C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000185360558 993297155 /nfs/dbraw/zinc/29/71/55/993297155.db2.gz SEZVRNVASVCYTC-AWEZNQCLSA-N -1 3 372.446 2.556 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OC[C@H]2CCN(C(=O)c3ccccc3)C2)c1 ZINC000811186282 995052213 /nfs/dbraw/zinc/05/22/13/995052213.db2.gz JIMWXQTUURWISB-AWEZNQCLSA-N -1 3 350.374 2.583 20 30 FFEDHM CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188398 995054177 /nfs/dbraw/zinc/05/41/77/995054177.db2.gz IQVWMSZZNOEKHT-GFCCVEGCSA-N -1 3 354.362 2.847 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](Cn1ccnc1)C(C)(C)C ZINC000727491766 995836231 /nfs/dbraw/zinc/83/62/31/995836231.db2.gz NJPJSJWCBUCJEA-QGZVFWFLSA-N -1 3 369.469 2.636 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)s1 ZINC001084196251 996329149 /nfs/dbraw/zinc/32/91/49/996329149.db2.gz CFEWPLVPHAXMQH-CXAGYDPISA-N -1 3 353.447 2.672 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001084634904 996748381 /nfs/dbraw/zinc/74/83/81/996748381.db2.gz JAGFJTTUYYSHTB-CEQIKUNHSA-N -1 3 370.497 2.695 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3cccc(F)c3[O-])CC2)c1 ZINC000824114800 996805249 /nfs/dbraw/zinc/80/52/49/996805249.db2.gz ACKHMVNTQMBNEQ-UHFFFAOYSA-N -1 3 353.397 2.797 20 30 FFEDHM C#CC1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1 ZINC000844045149 997623781 /nfs/dbraw/zinc/62/37/81/997623781.db2.gz BHXZXKCBASWWJY-UHFFFAOYSA-N -1 3 364.323 2.912 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc2c1OCCCO2 ZINC000845442895 998540133 /nfs/dbraw/zinc/54/01/33/998540133.db2.gz RPPKAIDSLOZKOS-CQSZACIVSA-N -1 3 366.373 2.818 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)nc2)cc1 ZINC000734080298 999197228 /nfs/dbraw/zinc/19/72/28/999197228.db2.gz NXTJVGIHTBHYQE-INIZCTEOSA-N -1 3 352.394 2.789 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CCc2ccn(-c3ccc(F)cc3)n2)c1[O-] ZINC000743042712 999797259 /nfs/dbraw/zinc/79/72/59/999797259.db2.gz OYXSVSLLXRBZNA-SRZZPIQSSA-N -1 3 354.385 2.574 20 30 FFEDHM CCn1c2ccccc2nc1C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449200 999819255 /nfs/dbraw/zinc/81/92/55/999819255.db2.gz QEXYSWLRBNRXSJ-UHFFFAOYSA-N -1 3 370.478 2.942 20 30 FFEDHM Cc1ccccc1COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496608 999916473 /nfs/dbraw/zinc/91/64/73/999916473.db2.gz NKJQRLQEPXDIIX-CQSZACIVSA-N -1 3 372.446 2.556 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2ccc(O)c(F)c2)c(C)c1[O-] ZINC001144631343 1000186042 /nfs/dbraw/zinc/18/60/42/1000186042.db2.gz OGXIQPDJAGQOGF-UHFFFAOYSA-N -1 3 372.352 2.775 20 30 FFEDHM C=CCOC(=O)N1CCC2(CN(Cc3sccc3C(=O)[O-])C2)CC1 ZINC001144665718 1000192839 /nfs/dbraw/zinc/19/28/39/1000192839.db2.gz SWSYIWRJQHDBJK-UHFFFAOYSA-N -1 3 350.440 2.667 20 30 FFEDHM N#Cc1ccc(CNC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787843734 1001723747 /nfs/dbraw/zinc/72/37/47/1001723747.db2.gz HAUXHGAMLYVFCR-UHFFFAOYSA-N -1 3 370.380 2.585 20 30 FFEDHM COc1cc(Br)cc(SC)c1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171368375 1001929812 /nfs/dbraw/zinc/92/98/12/1001929812.db2.gz FRAOMYNPQVXLFF-CPCISQLKSA-N -1 3 361.261 2.828 20 30 FFEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Cc1c[nH]c2cccc(C#N)c12 ZINC001182582370 1001965136 /nfs/dbraw/zinc/96/51/36/1001965136.db2.gz IEISROOAHSUWSA-UHFFFAOYSA-N -1 3 367.336 2.852 20 30 FFEDHM Cc1oc(C(=O)N([O-])CCCCc2ccccc2)cc1S(C)(=O)=O ZINC001184293397 1002564308 /nfs/dbraw/zinc/56/43/08/1002564308.db2.gz QWNPJAODAUPTDV-UHFFFAOYSA-N -1 3 351.424 2.846 20 30 FFEDHM O=C1c2cnn(-c3ncccn3)c2CC/C1=C/c1c(F)ccc([O-])c1F ZINC000792900152 1003223567 /nfs/dbraw/zinc/22/35/67/1003223567.db2.gz NFFIUULEZJLHJS-NTMALXAHSA-N -1 3 354.316 2.859 20 30 FFEDHM COc1cc(Br)ccc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001186289768 1003261655 /nfs/dbraw/zinc/26/16/55/1003261655.db2.gz IJQZBMLBTILXSI-UHFFFAOYSA-N -1 3 364.199 2.897 20 30 FFEDHM CCc1cc(CCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)on1 ZINC000793459239 1003388839 /nfs/dbraw/zinc/38/88/39/1003388839.db2.gz UANYBDRHOKEPAW-UHFFFAOYSA-N -1 3 357.410 2.935 20 30 FFEDHM COc1ccccc1CO[N-]C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000804648571 1003756487 /nfs/dbraw/zinc/75/64/87/1003756487.db2.gz FXYMSTUWOVKCQB-HNNXBMFYSA-N -1 3 369.396 2.780 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC001191531215 1003865961 /nfs/dbraw/zinc/86/59/61/1003865961.db2.gz RZKBLVBBKFKFLQ-UHFFFAOYSA-N -1 3 357.800 2.660 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c(F)nccc2OC)c(C)c1[O-] ZINC001197145730 1004100561 /nfs/dbraw/zinc/10/05/61/1004100561.db2.gz YGGMLWNEQKSNTF-UHFFFAOYSA-N -1 3 373.340 2.544 20 30 FFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc3nccnc3c2)c1F ZINC001198155153 1004512934 /nfs/dbraw/zinc/51/29/34/1004512934.db2.gz GRNXMQQSBMNRDH-UHFFFAOYSA-N -1 3 364.308 2.720 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(C3CCCC3)n2)c1 ZINC000121521879 1004915892 /nfs/dbraw/zinc/91/58/92/1004915892.db2.gz XYLPITSGGGMFSC-MRXNPFEDSA-N -1 3 352.394 2.968 20 30 FFEDHM CCOC(=O)c1c(C)oc([N-]C(=S)NC(=O)c2ccccc2)c1C#N ZINC001195382294 1004957258 /nfs/dbraw/zinc/95/72/58/1004957258.db2.gz CFUPMPYGUZJYGU-UHFFFAOYSA-N -1 3 357.391 2.763 20 30 FFEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cnc(OCC(F)(F)F)nc1 ZINC001199525329 1004964980 /nfs/dbraw/zinc/96/49/80/1004964980.db2.gz IDDRKKNTLCOIPX-UHFFFAOYSA-N -1 3 358.226 2.820 20 30 FFEDHM C#CCCC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)N=N1 ZINC001195510904 1004969793 /nfs/dbraw/zinc/96/97/93/1004969793.db2.gz CNWSOXCAXQIDRA-UHFFFAOYSA-N -1 3 374.235 2.832 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cn(-c3cccc(C)c3)nn2)c1 ZINC000102119458 1005022108 /nfs/dbraw/zinc/02/21/08/1005022108.db2.gz MXRSAPPVMMEBAB-KRWDZBQOSA-N -1 3 359.389 2.845 20 30 FFEDHM N#CC1(c2ccccc2F)CCN(S(=O)(=O)c2ccc([O-])cc2)CC1 ZINC001195794195 1005045668 /nfs/dbraw/zinc/04/56/68/1005045668.db2.gz QYHOWHPNGSCYLW-UHFFFAOYSA-N -1 3 360.410 2.777 20 30 FFEDHM O=S(=O)(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccc([O-])cc1 ZINC001195811631 1005049548 /nfs/dbraw/zinc/04/95/48/1005049548.db2.gz PYEJPYWSHWCTDT-UHFFFAOYSA-N -1 3 355.231 2.503 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ncccc2OCc2ccccc2)o1 ZINC001201898531 1005281232 /nfs/dbraw/zinc/28/12/32/1005281232.db2.gz BKDQWKASLFFDTP-UHFFFAOYSA-N -1 3 369.402 2.604 20 30 FFEDHM Cc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1O ZINC000814742038 1006421101 /nfs/dbraw/zinc/42/11/01/1006421101.db2.gz WVXHPMNLORDJRV-HNNXBMFYSA-N -1 3 368.418 2.976 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1c(C)nc2sccn21 ZINC001116145748 1032154363 /nfs/dbraw/zinc/15/43/63/1032154363.db2.gz LMZPYCFFJDZHQU-UHFFFAOYSA-N -1 3 362.480 2.590 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc(Cl)c(C#N)n1 ZINC001116249467 1032217052 /nfs/dbraw/zinc/21/70/52/1032217052.db2.gz UBZYZUGGXTUFSG-UHFFFAOYSA-N -1 3 354.794 2.729 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CC1)[C@H]1CCCOC1 ZINC000885452298 1007716296 /nfs/dbraw/zinc/71/62/96/1007716296.db2.gz PTJLCBXSFDYWAH-HNAYVOBHSA-N -1 3 357.454 2.530 20 30 FFEDHM CC(C)(F)c1ncncc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190999037 1007877181 /nfs/dbraw/zinc/87/71/81/1007877181.db2.gz KBAWHHPHVQRKKN-UHFFFAOYSA-N -1 3 368.821 2.685 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000820175266 1008300259 /nfs/dbraw/zinc/30/02/59/1008300259.db2.gz WGDUABJYCLEUPF-MRXNPFEDSA-N -1 3 363.373 2.729 20 30 FFEDHM N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000820186071 1008301711 /nfs/dbraw/zinc/30/17/11/1008301711.db2.gz UPLHSDNSGGNJJQ-INIZCTEOSA-N -1 3 367.430 2.570 20 30 FFEDHM Cc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)cc1C ZINC000820470502 1008338802 /nfs/dbraw/zinc/33/88/02/1008338802.db2.gz ANLSFVXZVOWMLA-SFHVURJKSA-N -1 3 366.417 2.644 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2ccc(C)nc2)c(C)c1[O-] ZINC001177250552 1008540915 /nfs/dbraw/zinc/54/09/15/1008540915.db2.gz SOOYFJGIFZEOMK-UHFFFAOYSA-N -1 3 353.378 2.634 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Cc2nccs2)C1 ZINC000890228964 1010312976 /nfs/dbraw/zinc/31/29/76/1010312976.db2.gz FIFCDILSIDPJLP-AWEZNQCLSA-N -1 3 370.478 2.756 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2C[C@H]2C(F)(F)F)c(C)c1[O-] ZINC001182319271 1010491427 /nfs/dbraw/zinc/49/14/27/1010491427.db2.gz MZTHQLBRJUSZEV-GXSJLCMTSA-N -1 3 356.300 2.886 20 30 FFEDHM C=C(C)COc1cc(CNCc2nc3c(c(=O)[n-]2)COCC3)ccc1OC ZINC000865868163 1010878636 /nfs/dbraw/zinc/87/86/36/1010878636.db2.gz XCYVBLHEMJEFQT-UHFFFAOYSA-N -1 3 371.437 2.508 20 30 FFEDHM N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866630017 1011027167 /nfs/dbraw/zinc/02/71/67/1011027167.db2.gz UOWTWEZHFMKUEN-KRWDZBQOSA-N -1 3 350.422 2.684 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)[n-]c1=O ZINC001275005481 1011805584 /nfs/dbraw/zinc/80/55/84/1011805584.db2.gz IUDJDEQISQZTSK-GOSISDBHSA-N -1 3 363.845 2.614 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(N3CCCC3)n2)cc1 ZINC000870138282 1012184472 /nfs/dbraw/zinc/18/44/72/1012184472.db2.gz DSZVHVMQVVYLMY-MRXNPFEDSA-N -1 3 363.421 2.600 20 30 FFEDHM C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3ccc([O-])c(F)c3F)C2)C1=O ZINC001275351443 1012349650 /nfs/dbraw/zinc/34/96/50/1012349650.db2.gz QYWLHVYYJZUJPK-LJQANCHMSA-N -1 3 364.392 2.588 20 30 FFEDHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1)c1ccccc1[O-] ZINC001095188831 1012675474 /nfs/dbraw/zinc/67/54/74/1012675474.db2.gz PJJGLAIAKUYJHR-HOJAQTOUSA-N -1 3 364.420 2.918 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(C(=O)N([O-])Cc2cccc3ccccc32)o1 ZINC000901369980 1019011269 /nfs/dbraw/zinc/01/12/69/1019011269.db2.gz MZOQPOCODOTBHK-UHFFFAOYSA-N -1 3 374.418 2.715 20 30 FFEDHM Cc1ccc(C#N)c(N2CC[C@@H]3CCN(C(=O)c4ccccc4[O-])C[C@@H]32)n1 ZINC001044923802 1019750626 /nfs/dbraw/zinc/75/06/26/1019750626.db2.gz FYOBCZRHAYNJPH-YJBOKZPZSA-N -1 3 362.433 2.708 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000778016844 1020541532 /nfs/dbraw/zinc/54/15/32/1020541532.db2.gz MEEWKBFVAVURAA-ABAIWWIYSA-N -1 3 372.343 2.719 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000778016847 1020542136 /nfs/dbraw/zinc/54/21/36/1020542136.db2.gz MEEWKBFVAVURAA-NHYWBVRUSA-N -1 3 372.343 2.719 20 30 FFEDHM COc1cc(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1[O-] ZINC000115884947 1022366566 /nfs/dbraw/zinc/36/65/66/1022366566.db2.gz BKVSZIIJPROFHI-DUXPYHPUSA-N -1 3 357.318 2.976 20 30 FFEDHM C=CC[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC001119580005 1022872539 /nfs/dbraw/zinc/87/25/39/1022872539.db2.gz IMQXAJLWZATFOT-PBHICJAKSA-N -1 3 370.371 2.587 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCN(c2ccccc2)CC1 ZINC001122496271 1023304474 /nfs/dbraw/zinc/30/44/74/1023304474.db2.gz SEIIYCDNXFYKBW-UHFFFAOYSA-N -1 3 366.425 2.541 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(Cl)c2)cc1OC ZINC001122624866 1023375273 /nfs/dbraw/zinc/37/52/73/1023375273.db2.gz KCUSKYBNAZOSGF-LBPRGKRZSA-N -1 3 359.769 2.713 20 30 FFEDHM C#C[C@H](CC)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000754379185 1023462775 /nfs/dbraw/zinc/46/27/75/1023462775.db2.gz JKDVRFJMESWZGE-MJGOQNOKSA-N -1 3 350.418 2.781 20 30 FFEDHM C=CCCCCCN(C)c1nnc(-c2cnc[n-]c2=O)n1C[C@@H]1CCCO1 ZINC001122799814 1023481658 /nfs/dbraw/zinc/48/16/58/1023481658.db2.gz BEKODJOBEYTUDW-HNNXBMFYSA-N -1 3 372.473 2.802 20 30 FFEDHM Cc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)c(OC[C@@H]2CCOC2)c1 ZINC000755030784 1023557053 /nfs/dbraw/zinc/55/70/53/1023557053.db2.gz CZFPRWZKTXGSBW-QEPAMEFZSA-N -1 3 370.449 2.931 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC ZINC001121760501 1023984818 /nfs/dbraw/zinc/98/48/18/1023984818.db2.gz APHAUWOSHWQFCC-UHFFFAOYSA-N -1 3 366.400 2.548 20 30 FFEDHM C=C[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001123789017 1024027600 /nfs/dbraw/zinc/02/76/00/1024027600.db2.gz XJYKTKOAAWTKEF-UKRRQHHQSA-N -1 3 354.372 2.873 20 30 FFEDHM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001123982385 1024194648 /nfs/dbraw/zinc/19/46/48/1024194648.db2.gz AOJNQWZBHNJVFF-UHFFFAOYSA-N -1 3 372.432 2.833 20 30 FFEDHM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001123982385 1024194653 /nfs/dbraw/zinc/19/46/53/1024194653.db2.gz AOJNQWZBHNJVFF-UHFFFAOYSA-N -1 3 372.432 2.833 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C(C)(C)C)n2)c1 ZINC000193429901 1024510302 /nfs/dbraw/zinc/51/03/02/1024510302.db2.gz IRRSQBBPMPBHJY-HNNXBMFYSA-N -1 3 354.410 2.916 20 30 FFEDHM Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)nn1-c1cccc(C#N)c1 ZINC001141301841 1025812501 /nfs/dbraw/zinc/81/25/01/1025812501.db2.gz CTXMNIXJQVUFIU-UHFFFAOYSA-N -1 3 358.361 2.887 20 30 FFEDHM CC1(C)C[C@]1(C#N)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001160200914 1027635330 /nfs/dbraw/zinc/63/53/30/1027635330.db2.gz MYBMUNWANBAJSD-MRXNPFEDSA-N -1 3 365.311 2.849 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1nn(C(C)C)c2ccccc21 ZINC001153924834 1028071824 /nfs/dbraw/zinc/07/18/24/1028071824.db2.gz GWCWKCHKKUKOSD-UHFFFAOYSA-N -1 3 352.354 2.552 20 30 FFEDHM CC(C)(C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)cc(C#N)c1 ZINC001154797273 1028459968 /nfs/dbraw/zinc/45/99/68/1028459968.db2.gz MENHHZNISBTCGK-UHFFFAOYSA-N -1 3 354.385 2.664 20 30 FFEDHM Cc1noc([N-]C(=O)c2c3c(ccc2Br)OCO3)c1C#N ZINC001155496309 1028764422 /nfs/dbraw/zinc/76/44/22/1028764422.db2.gz RBWUAPIFQJIIOP-UHFFFAOYSA-N -1 3 350.128 2.598 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H]2CCc3[nH]c(=O)ccc3C2)n1 ZINC001155764781 1028900679 /nfs/dbraw/zinc/90/06/79/1028900679.db2.gz WBFYXTWPKKJLGR-KFPHLYOZSA-N -1 3 365.846 2.730 20 30 FFEDHM COC(=O)c1cc2c(OC)[n-]c(N(CC#N)Cc3ccccc3)cc-2n1 ZINC001166992473 1030602002 /nfs/dbraw/zinc/60/20/02/1030602002.db2.gz QZAMRVMTZSXAPL-UHFFFAOYSA-N -1 3 350.378 2.888 20 30 FFEDHM COC(=O)c1cc2c(cc(N(CC#N)Cc3ccccc3)nc2OC)[n-]1 ZINC001166992473 1030602016 /nfs/dbraw/zinc/60/20/16/1030602016.db2.gz QZAMRVMTZSXAPL-UHFFFAOYSA-N -1 3 350.378 2.888 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)COCc2ccccc2)c(C)c1[O-] ZINC001143218076 1031328653 /nfs/dbraw/zinc/32/86/53/1031328653.db2.gz QFDPDOJNWRGVLU-UHFFFAOYSA-N -1 3 368.389 2.904 20 30 FFEDHM CC(=O)c1ccc(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1[O-] ZINC001138072835 1033689848 /nfs/dbraw/zinc/68/98/48/1033689848.db2.gz PIQDDIVANYFZMH-UHFFFAOYSA-N -1 3 361.361 2.608 20 30 FFEDHM CC(C)OC(=O)C1(C(=O)OC(C)C)CC(Oc2cccc(/C=N/[O-])c2)C1 ZINC001226114183 1034531544 /nfs/dbraw/zinc/53/15/44/1034531544.db2.gz HJVYTFJEVGBLLU-RGVLZGJSSA-N -1 3 363.410 2.926 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(C#N)ccc2[O-])[C@H]2OCC[C@@H]21 ZINC001227344716 1035513500 /nfs/dbraw/zinc/51/35/00/1035513500.db2.gz CSETULWORCLJHU-QRTARXTBSA-N -1 3 360.410 2.810 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)C1 ZINC001227582810 1035618650 /nfs/dbraw/zinc/61/86/50/1035618650.db2.gz FIZUORYWKVSGBG-ONGXEEELSA-N -1 3 373.331 2.944 20 30 FFEDHM CN1CC[C@H](Oc2cc(/C=C3\Oc4cc([O-])ccc4C3=O)ccc2O)C1 ZINC001229207029 1036553906 /nfs/dbraw/zinc/55/39/06/1036553906.db2.gz CKMRHCMGLCHCGD-GPMKDSKKSA-N -1 3 353.374 2.797 20 30 FFEDHM C=C1O[C@H](C)C(=O)C1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749313 1037166569 /nfs/dbraw/zinc/16/65/69/1037166569.db2.gz RELGLYWFMFOOFX-SSDOTTSWSA-N -1 3 370.313 2.661 20 30 FFEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2nc(=O)[n-]c3c2SCCC3)C1 ZINC001234905102 1037235267 /nfs/dbraw/zinc/23/52/67/1037235267.db2.gz AHHCYJGXFRXZRQ-OAHLLOKOSA-N -1 3 368.462 2.745 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)C1 ZINC001231077027 1037457759 /nfs/dbraw/zinc/45/77/59/1037457759.db2.gz RFXACDWGAAHMJJ-ZWNOBZJWSA-N -1 3 374.372 2.612 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450930 1037592509 /nfs/dbraw/zinc/59/25/09/1037592509.db2.gz UWPUNFOJBWYVHX-QUCCMNQESA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450930 1037592527 /nfs/dbraw/zinc/59/25/27/1037592527.db2.gz UWPUNFOJBWYVHX-QUCCMNQESA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1cc(C(=O)[O-])ccc1O)CCO2 ZINC001231563766 1037686492 /nfs/dbraw/zinc/68/64/92/1037686492.db2.gz LLHORIPRRZJIBO-YLJYHZDGSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(OC)c(C(=O)[O-])c1)C2 ZINC001231753589 1037879320 /nfs/dbraw/zinc/87/93/20/1037879320.db2.gz YAVWOMPGYBDBOP-OXQOHEQNSA-N -1 3 361.438 2.720 20 30 FFEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001278009841 1038267192 /nfs/dbraw/zinc/26/71/92/1038267192.db2.gz ZEVXNDKDEJEDJN-CQSZACIVSA-N -1 3 363.408 2.692 20 30 FFEDHM CCOC(=O)C1(C#N)CCN(Cc2c([O-])cc(OC)cc2Cl)CC1 ZINC001236807265 1038281589 /nfs/dbraw/zinc/28/15/89/1038281589.db2.gz DVGQSRLRYXGXRK-UHFFFAOYSA-N -1 3 352.818 2.723 20 30 FFEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)c1 ZINC001258116619 1039187802 /nfs/dbraw/zinc/18/78/02/1039187802.db2.gz PNHYBUQAKDAWGP-UHFFFAOYSA-N -1 3 360.366 2.841 20 30 FFEDHM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258289870 1039299518 /nfs/dbraw/zinc/29/95/18/1039299518.db2.gz BZPAZHCQZAPFCQ-UHFFFAOYSA-N -1 3 362.208 2.993 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC001259267183 1039861869 /nfs/dbraw/zinc/86/18/69/1039861869.db2.gz QMMDSVDSPVEOBT-IBGZPJMESA-N -1 3 373.474 2.755 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cnc3c(C4CCC4)cnn3c2)cc1 ZINC001260038816 1040370790 /nfs/dbraw/zinc/37/07/90/1040370790.db2.gz APXIHPTYASTLTL-UHFFFAOYSA-N -1 3 367.434 2.810 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(C)(C)C ZINC001260048375 1040377810 /nfs/dbraw/zinc/37/78/10/1040377810.db2.gz BFLROKJULALCMM-OAHLLOKOSA-N -1 3 366.483 2.734 20 30 FFEDHM Cc1ccsc1S(=O)(=O)[N-]C1=C(Cl)C(=O)c2ccccc2C1=O ZINC001260070772 1040387335 /nfs/dbraw/zinc/38/73/35/1040387335.db2.gz KVRBCUQVBVNWIX-UHFFFAOYSA-N -1 3 367.835 2.864 20 30 FFEDHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)c1 ZINC001260813117 1040820689 /nfs/dbraw/zinc/82/06/89/1040820689.db2.gz XXZOLPLGTAFTRR-UHFFFAOYSA-N -1 3 369.324 2.735 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001260825281 1040829512 /nfs/dbraw/zinc/82/95/12/1040829512.db2.gz KPXOOXWOOZLUSK-LBPRGKRZSA-N -1 3 352.239 2.531 20 30 FFEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]C1(CC#N)CCCC1 ZINC001261065753 1040969744 /nfs/dbraw/zinc/96/97/44/1040969744.db2.gz CGBZATDOFQIUBP-UHFFFAOYSA-N -1 3 362.860 2.693 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001262962417 1041992544 /nfs/dbraw/zinc/99/25/44/1041992544.db2.gz MJDFEJSONIVTMY-CQSZACIVSA-N -1 3 367.409 2.730 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(c2ccco2)CC1 ZINC001262990583 1042015019 /nfs/dbraw/zinc/01/50/19/1042015019.db2.gz HSBFQQZFLMBRDE-UHFFFAOYSA-N -1 3 359.821 2.880 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(c2ccco2)CC1 ZINC001262990583 1042015025 /nfs/dbraw/zinc/01/50/25/1042015025.db2.gz HSBFQQZFLMBRDE-UHFFFAOYSA-N -1 3 359.821 2.880 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccns1 ZINC001309738434 1043503148 /nfs/dbraw/zinc/50/31/48/1043503148.db2.gz WGDDUZFEYYHAAW-QMMMGPOBSA-N -1 3 372.269 2.817 20 30 FFEDHM C#CCCCN1CC2(C1)CC[C@@H](C(=O)Nc1nc3c(cccc3[O-])s1)O2 ZINC001279750016 1043582786 /nfs/dbraw/zinc/58/27/86/1043582786.db2.gz QISLHVOQOLKUMO-AWEZNQCLSA-N -1 3 371.462 2.587 20 30 FFEDHM C#CCOc1ccccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001310574015 1043708920 /nfs/dbraw/zinc/70/89/20/1043708920.db2.gz VCQMPEKVDWQEQK-VIFPVBQESA-N -1 3 353.304 2.718 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241442213 1044516153 /nfs/dbraw/zinc/51/61/53/1044516153.db2.gz FFIQJPBZWCUQDN-AWEZNQCLSA-N -1 3 362.393 2.878 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241442213 1044516169 /nfs/dbraw/zinc/51/61/69/1044516169.db2.gz FFIQJPBZWCUQDN-AWEZNQCLSA-N -1 3 362.393 2.878 20 30 FFEDHM CN(C)c1cc(C[N-]S(=O)(=O)c2ccsc2C#N)c2ccccc2n1 ZINC001475015213 1045548242 /nfs/dbraw/zinc/54/82/42/1045548242.db2.gz FYLLEFFWGJWXMM-UHFFFAOYSA-N -1 3 372.475 2.712 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(F)(F)CC1 ZINC001341841139 1050452933 /nfs/dbraw/zinc/45/29/33/1050452933.db2.gz WVXSWJGODMYWHE-UHFFFAOYSA-N -1 3 350.373 2.561 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1ncc(CC)s1 ZINC001342025265 1050624054 /nfs/dbraw/zinc/62/40/54/1050624054.db2.gz PFKPQWZHBSKXCC-UHFFFAOYSA-N -1 3 371.470 2.672 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001343287224 1052135626 /nfs/dbraw/zinc/13/56/26/1052135626.db2.gz IURDZTPSYFXYQV-OAHLLOKOSA-N -1 3 372.473 2.577 20 30 FFEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1Cc1ccc(F)cc1 ZINC001306898360 1052214468 /nfs/dbraw/zinc/21/44/68/1052214468.db2.gz ALYHTUKEULXELT-UHFFFAOYSA-N -1 3 358.348 2.945 20 30 FFEDHM CCCCN([O-])C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC001306897645 1052214727 /nfs/dbraw/zinc/21/47/27/1052214727.db2.gz VYIAPIIQZZISQX-UHFFFAOYSA-N -1 3 356.488 2.668 20 30 FFEDHM CCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)c1C ZINC001343510195 1052273801 /nfs/dbraw/zinc/27/38/01/1052273801.db2.gz PANBFOGCAHWBOL-AWEZNQCLSA-N -1 3 354.410 2.961 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(Cc1cnn(CC)c1)C(C)C ZINC001343639218 1052350256 /nfs/dbraw/zinc/35/02/56/1052350256.db2.gz HSEXFCQJUWEETM-UHFFFAOYSA-N -1 3 371.445 2.846 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001345975373 1052691515 /nfs/dbraw/zinc/69/15/15/1052691515.db2.gz WMVWOFLKTWXZHK-KBPBESRZSA-N -1 3 372.498 2.515 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCN(C)CC(F)(F)F ZINC001346217120 1052792893 /nfs/dbraw/zinc/79/28/93/1052792893.db2.gz OLVOMTBSXCLGPB-UHFFFAOYSA-N -1 3 373.375 2.636 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001351789406 1055001268 /nfs/dbraw/zinc/00/12/68/1055001268.db2.gz KHKYAPXCITVLQZ-ZDUSSCGKSA-N -1 3 373.310 2.696 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001351790907 1055002531 /nfs/dbraw/zinc/00/25/31/1055002531.db2.gz XIHCQFZUGNYLBK-ZDUSSCGKSA-N -1 3 355.373 2.958 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](Cc2nccs2)C1 ZINC001338885233 1055902681 /nfs/dbraw/zinc/90/26/81/1055902681.db2.gz QDFMOPYNNZQHCG-GFCCVEGCSA-N -1 3 372.454 2.740 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2nnc(Cl)[n-]2)n1CCCOCC ZINC001357474592 1055917441 /nfs/dbraw/zinc/91/74/41/1055917441.db2.gz SAPJIIIVEKUCAG-UHFFFAOYSA-N -1 3 353.858 2.546 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2n[n-]c(Cl)n2)n1CCCOCC ZINC001357474592 1055917446 /nfs/dbraw/zinc/91/74/46/1055917446.db2.gz SAPJIIIVEKUCAG-UHFFFAOYSA-N -1 3 353.858 2.546 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2cc(F)ccc2C1 ZINC001339198603 1056193419 /nfs/dbraw/zinc/19/34/19/1056193419.db2.gz ZYKBPMSKXGYEIX-UHFFFAOYSA-N -1 3 366.400 2.637 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001339606757 1056630932 /nfs/dbraw/zinc/63/09/32/1056630932.db2.gz MXYVLAGMHZYNLC-UHFFFAOYSA-N -1 3 368.363 2.796 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCOCC12CCCC2 ZINC001518899547 1058548537 /nfs/dbraw/zinc/54/85/37/1058548537.db2.gz PJMWLPUQHJKASU-KRWDZBQOSA-N -1 3 357.454 2.674 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001450274298 1059002735 /nfs/dbraw/zinc/00/27/35/1059002735.db2.gz WPOVZNUWFANFBU-CQSZACIVSA-N -1 3 361.785 2.637 20 30 FFEDHM CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848138681 1059113222 /nfs/dbraw/zinc/11/32/22/1059113222.db2.gz PULRJBIVEQDFIV-LJQANCHMSA-N -1 3 367.449 2.823 20 30 FFEDHM Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000848138317 1059113553 /nfs/dbraw/zinc/11/35/53/1059113553.db2.gz ONXZYUPXOUKIBA-SFHVURJKSA-N -1 3 366.417 2.644 20 30 FFEDHM COC(=O)CCc1ccc([O-])c(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC001455726995 1059891687 /nfs/dbraw/zinc/89/16/87/1059891687.db2.gz YFYNJGAKDYBXCU-UHFFFAOYSA-N -1 3 367.405 2.688 20 30 FFEDHM C#Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)c(Cl)c1 ZINC001456611397 1060163021 /nfs/dbraw/zinc/16/30/21/1060163021.db2.gz GLUMSMVQLVSECF-UHFFFAOYSA-N -1 3 366.801 2.621 20 30 FFEDHM N#Cc1c[n-]n2c1nc(CN1CC[C@@H](CSc3ccccc3)C1)cc2=O ZINC001459583529 1060777820 /nfs/dbraw/zinc/77/78/20/1060777820.db2.gz DHTTTWOMNIRMBF-CQSZACIVSA-N -1 3 365.462 2.921 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(CC#N)cc2)c(F)cc1[N+](=O)[O-] ZINC001475433265 1061086967 /nfs/dbraw/zinc/08/69/67/1061086967.db2.gz QMMSWYRWUVVNEV-UHFFFAOYSA-N -1 3 363.370 2.587 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CF)c1ccc(F)cc1 ZINC001475604069 1061160447 /nfs/dbraw/zinc/16/04/47/1061160447.db2.gz PIIWBTOESGVEFU-CYBMUJFWSA-N -1 3 367.333 2.595 20 30 FFEDHM CCOc1ccc(C#N)cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001476033236 1061335045 /nfs/dbraw/zinc/33/50/45/1061335045.db2.gz WCWGAXKICWHQIN-UHFFFAOYSA-N -1 3 363.381 2.705 20 30 FFEDHM CCOc1ccc(C#N)cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001476033236 1061335060 /nfs/dbraw/zinc/33/50/60/1061335060.db2.gz WCWGAXKICWHQIN-UHFFFAOYSA-N -1 3 363.381 2.705 20 30 FFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001463612938 1062181461 /nfs/dbraw/zinc/18/14/61/1062181461.db2.gz GARNXNAQPXAIIY-MRVPVSSYSA-N -1 3 371.265 2.986 20 30 FFEDHM N#Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001464063615 1062406644 /nfs/dbraw/zinc/40/66/44/1062406644.db2.gz QBSWBMFUNGYVFP-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM COC(=O)c1ccnc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)c1 ZINC001435633966 1062530460 /nfs/dbraw/zinc/53/04/60/1062530460.db2.gz WYVPZRQFPIIXBB-UHFFFAOYSA-N -1 3 360.713 2.554 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001523776627 1062617300 /nfs/dbraw/zinc/61/73/00/1062617300.db2.gz CUMKLKAXSKILII-VXGBXAGGSA-N -1 3 360.487 2.655 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)ccnc2C)ccc1F ZINC001525398680 1063278860 /nfs/dbraw/zinc/27/88/60/1063278860.db2.gz LPFRAAZKKVPREH-UHFFFAOYSA-N -1 3 363.414 2.554 20 30 FFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1[nH]c2ccccc2c1C#N ZINC001440970810 1063380590 /nfs/dbraw/zinc/38/05/90/1063380590.db2.gz UCSFUZLBQYZCIX-UHFFFAOYSA-N -1 3 354.391 2.663 20 30 FFEDHM N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001468457126 1063989645 /nfs/dbraw/zinc/98/96/45/1063989645.db2.gz HSEBTBCDOSOBIH-UHFFFAOYSA-N -1 3 368.773 2.734 20 30 FFEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001472620616 1065113413 /nfs/dbraw/zinc/11/34/13/1065113413.db2.gz JDHMWLBQDITXPH-ZDUSSCGKSA-N -1 3 354.834 2.585 20 30 FFEDHM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001472622173 1065114371 /nfs/dbraw/zinc/11/43/71/1065114371.db2.gz GWQFTJTVYHRLCJ-ZDUSSCGKSA-N -1 3 356.419 2.854 20 30 FFEDHM Cc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc(C)c1-c1nnn[n-]1 ZINC001580823795 1078872811 /nfs/dbraw/zinc/87/28/11/1078872811.db2.gz GRJFBORKTQHODX-OAQYLSRUSA-N -1 3 372.432 2.665 20 30 FFEDHM Cc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc(C)c1-c1nn[n-]n1 ZINC001580823795 1078872817 /nfs/dbraw/zinc/87/28/17/1078872817.db2.gz GRJFBORKTQHODX-OAQYLSRUSA-N -1 3 372.432 2.665 20 30 FFEDHM Cc1noc(-c2ccc(CNc3c(C#N)cccc3-c3nnn[n-]3)cc2)n1 ZINC001581622141 1078982148 /nfs/dbraw/zinc/98/21/48/1078982148.db2.gz LWBOOGIMHTVKLM-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1noc(-c2ccc(CNc3c(C#N)cccc3-c3nn[n-]n3)cc2)n1 ZINC001581622141 1078982152 /nfs/dbraw/zinc/98/21/52/1078982152.db2.gz LWBOOGIMHTVKLM-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM N#Cc1ccc(COc2cc(Cl)cc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001581872257 1079010577 /nfs/dbraw/zinc/01/05/77/1079010577.db2.gz RNVNOLUFRHEKIJ-UHFFFAOYSA-N -1 3 356.729 2.879 20 30 FFEDHM N#Cc1ccc(COc2cc(Cl)cc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001581872257 1079010586 /nfs/dbraw/zinc/01/05/86/1079010586.db2.gz RNVNOLUFRHEKIJ-UHFFFAOYSA-N -1 3 356.729 2.879 20 30 FFEDHM CCn1nccc1[C@@H]1OCCC[C@H]1C=NNc1nc2c(c(=O)[n-]1)CCCC2 ZINC001552453920 1075076664 /nfs/dbraw/zinc/07/66/64/1075076664.db2.gz NHUOEMNYZAZGRA-SUMWQHHRSA-N -1 3 370.457 2.843 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C#N)c2)ccc1F ZINC001584930466 1079406151 /nfs/dbraw/zinc/40/61/51/1079406151.db2.gz QGNSEVWRMQSERW-UHFFFAOYSA-N -1 3 373.409 2.722 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC001556749783 1075771548 /nfs/dbraw/zinc/77/15/48/1075771548.db2.gz PMIOSFPUHTXBTO-ZBFHGGJFSA-N -1 3 360.410 2.765 20 30 FFEDHM C=CC(C)(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001558737644 1076067534 /nfs/dbraw/zinc/06/75/34/1076067534.db2.gz GYUVHMPQVUOECD-UHFFFAOYSA-N -1 3 351.403 2.649 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC001559034453 1076118109 /nfs/dbraw/zinc/11/81/09/1076118109.db2.gz ASCBLFXXALAFKB-KRWDZBQOSA-N -1 3 368.499 2.946 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)cc1F ZINC001561653260 1076403522 /nfs/dbraw/zinc/40/35/22/1076403522.db2.gz KEAAKIZVECWWFI-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C(=O)OC ZINC001561929085 1076448167 /nfs/dbraw/zinc/44/81/67/1076448167.db2.gz FSNAWPFLUARMRI-AWEZNQCLSA-N -1 3 363.838 2.796 20 30 FFEDHM O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N[C@H]1CCCN([O-])C1=O ZINC001562059778 1076473575 /nfs/dbraw/zinc/47/35/75/1076473575.db2.gz VIUUIJMMDFFAMQ-HNNXBMFYSA-N -1 3 366.377 2.997 20 30 FFEDHM C#Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC001563326880 1076541743 /nfs/dbraw/zinc/54/17/43/1076541743.db2.gz QMWIBHNXBYMJNJ-UHFFFAOYSA-N -1 3 357.797 2.578 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1[O-] ZINC001570834229 1077235034 /nfs/dbraw/zinc/23/50/34/1077235034.db2.gz XXCVITPIZBJCTI-SFHVURJKSA-N -1 3 363.417 2.817 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2cnccc2-c2nnn[n-]2)cc1C#N ZINC001573876722 1077831295 /nfs/dbraw/zinc/83/12/95/1077831295.db2.gz TWXOAQQYLZBAKB-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2cnccc2-c2nn[n-]n2)cc1C#N ZINC001573876722 1077831300 /nfs/dbraw/zinc/83/13/00/1077831300.db2.gz TWXOAQQYLZBAKB-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM C#C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588327471 1079983419 /nfs/dbraw/zinc/98/34/19/1079983419.db2.gz JTQNNNIPLVKKGO-MRXNPFEDSA-N -1 3 355.442 2.580 20 30 FFEDHM C#C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588327471 1079983421 /nfs/dbraw/zinc/98/34/21/1079983421.db2.gz JTQNNNIPLVKKGO-MRXNPFEDSA-N -1 3 355.442 2.580 20 30 FFEDHM C#C[C@H](CCC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588327950 1079983764 /nfs/dbraw/zinc/98/37/64/1079983764.db2.gz VMTSPKQBASGPPT-SECBINFHSA-N -1 3 363.219 2.553 20 30 FFEDHM C#C[C@H](CCC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588327950 1079983771 /nfs/dbraw/zinc/98/37/71/1079983771.db2.gz VMTSPKQBASGPPT-SECBINFHSA-N -1 3 363.219 2.553 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1scc(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588330123 1079987656 /nfs/dbraw/zinc/98/76/56/1079987656.db2.gz VIACCGQJAFIDNI-GFCCVEGCSA-N -1 3 356.386 2.872 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1scc(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588330123 1079987660 /nfs/dbraw/zinc/98/76/60/1079987660.db2.gz VIACCGQJAFIDNI-GFCCVEGCSA-N -1 3 356.386 2.872 20 30 FFEDHM C#CCCOc1ccc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588347766 1079992456 /nfs/dbraw/zinc/99/24/56/1079992456.db2.gz WTGPFFKCVFPGQD-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM C#CCCOc1ccc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588347766 1079992463 /nfs/dbraw/zinc/99/24/63/1079992463.db2.gz WTGPFFKCVFPGQD-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM C#Cc1ccc(CNC(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC001588373449 1079996144 /nfs/dbraw/zinc/99/61/44/1079996144.db2.gz KTQNXWTYBOGBGX-UHFFFAOYSA-N -1 3 372.432 2.727 20 30 FFEDHM C#Cc1ccc(CNC(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC001588373449 1079996151 /nfs/dbraw/zinc/99/61/51/1079996151.db2.gz KTQNXWTYBOGBGX-UHFFFAOYSA-N -1 3 372.432 2.727 20 30 FFEDHM C#Cc1ccc(NC(=O)NCc2ccc(SC)c(-c3nnn[n-]3)c2)cc1 ZINC001588374642 1079997299 /nfs/dbraw/zinc/99/72/99/1079997299.db2.gz GBBZSTLWFTUDAW-UHFFFAOYSA-N -1 3 364.434 2.892 20 30 FFEDHM C#Cc1ccc(NC(=O)NCc2ccc(SC)c(-c3nn[n-]n3)c2)cc1 ZINC001588374642 1079997307 /nfs/dbraw/zinc/99/73/07/1079997307.db2.gz GBBZSTLWFTUDAW-UHFFFAOYSA-N -1 3 364.434 2.892 20 30 FFEDHM c1cc(CN=Nc2ncnc3sc4c(c32)CCC4)cc(-c2nn[n-]n2)c1 ZINC001588384256 1080000454 /nfs/dbraw/zinc/00/04/54/1080000454.db2.gz AOEHPCXTVHZVFU-UHFFFAOYSA-N -1 3 362.422 2.806 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588392445 1080004267 /nfs/dbraw/zinc/00/42/67/1080004267.db2.gz ZZOXLDHMIVTRBT-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588392445 1080004281 /nfs/dbraw/zinc/00/42/81/1080004281.db2.gz ZZOXLDHMIVTRBT-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588392715 1080006094 /nfs/dbraw/zinc/00/60/94/1080006094.db2.gz HCTMIFTVBMGGDP-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588392715 1080006101 /nfs/dbraw/zinc/00/61/01/1080006101.db2.gz HCTMIFTVBMGGDP-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCN(CC)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588397128 1080007951 /nfs/dbraw/zinc/00/79/51/1080007951.db2.gz WVJCBWFCCIFQIU-UHFFFAOYSA-N -1 3 374.464 2.546 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCN(CC)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588397128 1080007957 /nfs/dbraw/zinc/00/79/57/1080007957.db2.gz WVJCBWFCCIFQIU-UHFFFAOYSA-N -1 3 374.464 2.546 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588406491 1080012490 /nfs/dbraw/zinc/01/24/90/1080012490.db2.gz UYMGOJPJLUMVBI-XJKSGUPXSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588406491 1080012503 /nfs/dbraw/zinc/01/25/03/1080012503.db2.gz UYMGOJPJLUMVBI-XJKSGUPXSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588426074 1080024336 /nfs/dbraw/zinc/02/43/36/1080024336.db2.gz KHFSJPUBEVEVSL-UHFFFAOYSA-N -1 3 360.805 2.583 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588426074 1080024345 /nfs/dbraw/zinc/02/43/45/1080024345.db2.gz KHFSJPUBEVEVSL-UHFFFAOYSA-N -1 3 360.805 2.583 20 30 FFEDHM C#CCC[C@H](O)CNCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001588435220 1080026525 /nfs/dbraw/zinc/02/65/25/1080026525.db2.gz HKDDFRZNDOPBDM-IBGZPJMESA-N -1 3 353.418 2.828 20 30 FFEDHM C=C(C)Cn1c(Cc2ccc(-c3nnn[n-]3)cc2C)nnc1N1CCCC1 ZINC001588437220 1080026719 /nfs/dbraw/zinc/02/67/19/1080026719.db2.gz AAMBDOGWTHZCMQ-UHFFFAOYSA-N -1 3 364.457 2.534 20 30 FFEDHM C=C(C)Cn1c(Cc2ccc(-c3nn[n-]n3)cc2C)nnc1N1CCCC1 ZINC001588437220 1080026728 /nfs/dbraw/zinc/02/67/28/1080026728.db2.gz AAMBDOGWTHZCMQ-UHFFFAOYSA-N -1 3 364.457 2.534 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588461104 1080035558 /nfs/dbraw/zinc/03/55/58/1080035558.db2.gz JNYUOQIGQVRYFX-ZDUSSCGKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588461104 1080035568 /nfs/dbraw/zinc/03/55/68/1080035568.db2.gz JNYUOQIGQVRYFX-ZDUSSCGKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C1CCC(C(=O)NC[C@H](CC)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588461905 1080035699 /nfs/dbraw/zinc/03/56/99/1080035699.db2.gz XQMMSDAEBJMGPE-HNNXBMFYSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C1CCC(C(=O)NC[C@H](CC)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588461905 1080035707 /nfs/dbraw/zinc/03/57/07/1080035707.db2.gz XQMMSDAEBJMGPE-HNNXBMFYSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@H]2C[C@H]2C)CC1 ZINC001588462941 1080036628 /nfs/dbraw/zinc/03/66/28/1080036628.db2.gz UTMIKIPYWVYPPQ-CJNGLKHVSA-N -1 3 362.441 2.863 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@H]2C[C@H]2C)CC1 ZINC001588462941 1080036639 /nfs/dbraw/zinc/03/66/39/1080036639.db2.gz UTMIKIPYWVYPPQ-CJNGLKHVSA-N -1 3 362.441 2.863 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)c1nc(C)ccc1-c1nnn[n-]1 ZINC001588483640 1080045481 /nfs/dbraw/zinc/04/54/81/1080045481.db2.gz NTPZRDVPSCFUHN-CQSZACIVSA-N -1 3 371.489 2.503 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)c1nc(C)ccc1-c1nn[n-]n1 ZINC001588483640 1080045488 /nfs/dbraw/zinc/04/54/88/1080045488.db2.gz NTPZRDVPSCFUHN-CQSZACIVSA-N -1 3 371.489 2.503 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)C1CC(Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588482798 1080046093 /nfs/dbraw/zinc/04/60/93/1080046093.db2.gz ZJJVTEVKVKZPFM-UHFFFAOYSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)C1CC(Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588482798 1080046097 /nfs/dbraw/zinc/04/60/97/1080046097.db2.gz ZJJVTEVKVKZPFM-UHFFFAOYSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588492482 1080054208 /nfs/dbraw/zinc/05/42/08/1080054208.db2.gz RTZHLWMUVJQTFO-XIKOKIGWSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588492482 1080054215 /nfs/dbraw/zinc/05/42/15/1080054215.db2.gz RTZHLWMUVJQTFO-XIKOKIGWSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)CC(C)C ZINC001588492018 1080054610 /nfs/dbraw/zinc/05/46/10/1080054610.db2.gz NOKMRFIECISUST-DNVCBOLYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)CC(C)C ZINC001588492018 1080054618 /nfs/dbraw/zinc/05/46/18/1080054618.db2.gz NOKMRFIECISUST-DNVCBOLYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588494230 1080057949 /nfs/dbraw/zinc/05/79/49/1080057949.db2.gz PXSGRUAYCCQOMC-SFHVURJKSA-N -1 3 369.473 2.562 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588494230 1080057959 /nfs/dbraw/zinc/05/79/59/1080057959.db2.gz PXSGRUAYCCQOMC-SFHVURJKSA-N -1 3 369.473 2.562 20 30 FFEDHM C=C[C@H](C)ONC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588518798 1080070268 /nfs/dbraw/zinc/07/02/68/1080070268.db2.gz LOPLERHMEFRYKV-NSHDSACASA-N -1 3 367.369 2.682 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588521240 1080072705 /nfs/dbraw/zinc/07/27/05/1080072705.db2.gz KBGZPWHEZUTFGZ-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588521240 1080072713 /nfs/dbraw/zinc/07/27/13/1080072713.db2.gz KBGZPWHEZUTFGZ-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588521245 1080072789 /nfs/dbraw/zinc/07/27/89/1080072789.db2.gz KBQDBYPUGXJAEO-CABCVRRESA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588521245 1080072792 /nfs/dbraw/zinc/07/27/92/1080072792.db2.gz KBQDBYPUGXJAEO-CABCVRRESA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588520835 1080073793 /nfs/dbraw/zinc/07/37/93/1080073793.db2.gz FZICJSGLXIJRBP-KBPBESRZSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC1CCC(Oc2ncccc2-c2nnn[n-]2)CC1 ZINC001588521579 1080075573 /nfs/dbraw/zinc/07/55/73/1080075573.db2.gz PSPNBEOAEDVGCN-NFOMZHRRSA-N -1 3 370.457 2.670 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588525211 1080078400 /nfs/dbraw/zinc/07/84/00/1080078400.db2.gz WXGAPIPJAYVSEA-KBPBESRZSA-N -1 3 372.448 2.551 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588525211 1080078410 /nfs/dbraw/zinc/07/84/10/1080078410.db2.gz WXGAPIPJAYVSEA-KBPBESRZSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCC(C)(C)CNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC001588539784 1080086872 /nfs/dbraw/zinc/08/68/72/1080086872.db2.gz ZCGZEBAKIFVMRY-UHFFFAOYSA-N -1 3 373.457 2.753 20 30 FFEDHM C=CCC(C)(C)CNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC001588539784 1080086882 /nfs/dbraw/zinc/08/68/82/1080086882.db2.gz ZCGZEBAKIFVMRY-UHFFFAOYSA-N -1 3 373.457 2.753 20 30 FFEDHM C=CC[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)c1ccncc1 ZINC001588548007 1080090235 /nfs/dbraw/zinc/09/02/35/1080090235.db2.gz BFZVMMGXFSJTEQ-AWEZNQCLSA-N -1 3 359.393 2.790 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)C1 ZINC001588559696 1080097045 /nfs/dbraw/zinc/09/70/45/1080097045.db2.gz KYRCGKOKYUUOLO-CYBMUJFWSA-N -1 3 355.417 2.852 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)C1 ZINC001588559696 1080097055 /nfs/dbraw/zinc/09/70/55/1080097055.db2.gz KYRCGKOKYUUOLO-CYBMUJFWSA-N -1 3 355.417 2.852 20 30 FFEDHM C=CCCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588566307 1080101215 /nfs/dbraw/zinc/10/12/15/1080101215.db2.gz FNKRGNKKIKDAMQ-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588566307 1080101218 /nfs/dbraw/zinc/10/12/18/1080101218.db2.gz FNKRGNKKIKDAMQ-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588588641 1080112052 /nfs/dbraw/zinc/11/20/52/1080112052.db2.gz VIRLSWMCIDALES-HOCLYGCPSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588588641 1080112061 /nfs/dbraw/zinc/11/20/61/1080112061.db2.gz VIRLSWMCIDALES-HOCLYGCPSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCCCOC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588596618 1080117213 /nfs/dbraw/zinc/11/72/13/1080117213.db2.gz WWUCKNALTSDGPV-HNNXBMFYSA-N -1 3 369.425 2.509 20 30 FFEDHM C=CCCCCCOC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588596618 1080117224 /nfs/dbraw/zinc/11/72/24/1080117224.db2.gz WWUCKNALTSDGPV-HNNXBMFYSA-N -1 3 369.425 2.509 20 30 FFEDHM C=CCN(C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C(C)(C)C ZINC001588625422 1080126525 /nfs/dbraw/zinc/12/65/25/1080126525.db2.gz JHHCMKBAPQVXEM-UHFFFAOYSA-N -1 3 373.457 2.847 20 30 FFEDHM C=CCN(C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C(C)(C)C ZINC001588625422 1080126529 /nfs/dbraw/zinc/12/65/29/1080126529.db2.gz JHHCMKBAPQVXEM-UHFFFAOYSA-N -1 3 373.457 2.847 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC001588639123 1080132306 /nfs/dbraw/zinc/13/23/06/1080132306.db2.gz NBKBVBNNNQEWAL-SFHVURJKSA-N -1 3 373.416 2.752 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC001588639123 1080132309 /nfs/dbraw/zinc/13/23/09/1080132309.db2.gz NBKBVBNNNQEWAL-SFHVURJKSA-N -1 3 373.416 2.752 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001588640150 1080133831 /nfs/dbraw/zinc/13/38/31/1080133831.db2.gz MVUBRWWCXUPSIB-ROUUACIJSA-N -1 3 367.453 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001588640150 1080133836 /nfs/dbraw/zinc/13/38/36/1080133836.db2.gz MVUBRWWCXUPSIB-ROUUACIJSA-N -1 3 367.453 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC001588648263 1080137606 /nfs/dbraw/zinc/13/76/06/1080137606.db2.gz LXSDGPFACWJSIR-UHFFFAOYSA-N -1 3 370.394 2.665 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC001588648263 1080137611 /nfs/dbraw/zinc/13/76/11/1080137611.db2.gz LXSDGPFACWJSIR-UHFFFAOYSA-N -1 3 370.394 2.665 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CC(F)(F)Br ZINC001588647813 1080138631 /nfs/dbraw/zinc/13/86/31/1080138631.db2.gz BSFVGZNILKXCBS-UHFFFAOYSA-N -1 3 358.190 2.842 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CC(F)(F)Br ZINC001588647813 1080138632 /nfs/dbraw/zinc/13/86/32/1080138632.db2.gz BSFVGZNILKXCBS-UHFFFAOYSA-N -1 3 358.190 2.842 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccnc(F)c1F ZINC001588649495 1080139742 /nfs/dbraw/zinc/13/97/42/1080139742.db2.gz PZDGKMNXYPJFDC-UHFFFAOYSA-N -1 3 371.351 2.760 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccnc(F)c1F ZINC001588649495 1080139748 /nfs/dbraw/zinc/13/97/48/1080139748.db2.gz PZDGKMNXYPJFDC-UHFFFAOYSA-N -1 3 371.351 2.760 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C2CC2)on1 ZINC001588649411 1080139804 /nfs/dbraw/zinc/13/98/04/1080139804.db2.gz MFQPFVCESVTUOC-UHFFFAOYSA-N -1 3 350.382 2.561 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C2CC2)on1 ZINC001588649411 1080139810 /nfs/dbraw/zinc/13/98/10/1080139810.db2.gz MFQPFVCESVTUOC-UHFFFAOYSA-N -1 3 350.382 2.561 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588653493 1080142955 /nfs/dbraw/zinc/14/29/55/1080142955.db2.gz JCKNNGUNRDJTIA-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588653493 1080142960 /nfs/dbraw/zinc/14/29/60/1080142960.db2.gz JCKNNGUNRDJTIA-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588653606 1080143103 /nfs/dbraw/zinc/14/31/03/1080143103.db2.gz PJVNYLRWDRUFKG-UHFFFAOYSA-N -1 3 362.437 2.761 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588653606 1080143110 /nfs/dbraw/zinc/14/31/10/1080143110.db2.gz PJVNYLRWDRUFKG-UHFFFAOYSA-N -1 3 362.437 2.761 20 30 FFEDHM C=CCOc1ccccc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588688529 1080154152 /nfs/dbraw/zinc/15/41/52/1080154152.db2.gz IRCMSARBRFHQQS-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM C=CCOc1ccccc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588688529 1080154157 /nfs/dbraw/zinc/15/41/57/1080154157.db2.gz IRCMSARBRFHQQS-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM C=CCOc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)cc1 ZINC001588689227 1080155534 /nfs/dbraw/zinc/15/55/34/1080155534.db2.gz AMCXYQGEJGKHJN-UHFFFAOYSA-N -1 3 365.393 2.717 20 30 FFEDHM C=CCOc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)cc1 ZINC001588689227 1080155538 /nfs/dbraw/zinc/15/55/38/1080155538.db2.gz AMCXYQGEJGKHJN-UHFFFAOYSA-N -1 3 365.393 2.717 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588689144 1080155991 /nfs/dbraw/zinc/15/59/91/1080155991.db2.gz ZTOLGEJMKSUBMS-UHFFFAOYSA-N -1 3 362.393 2.956 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588689144 1080155994 /nfs/dbraw/zinc/15/59/94/1080155994.db2.gz ZTOLGEJMKSUBMS-UHFFFAOYSA-N -1 3 362.393 2.956 20 30 FFEDHM C=CCn1c(CC2CC2)nnc1N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588703780 1080161961 /nfs/dbraw/zinc/16/19/61/1080161961.db2.gz UNKUTXCJIMGRHQ-CYBMUJFWSA-N -1 3 364.457 2.794 20 30 FFEDHM C=CCn1c(CC2CC2)nnc1N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588703780 1080161968 /nfs/dbraw/zinc/16/19/68/1080161968.db2.gz UNKUTXCJIMGRHQ-CYBMUJFWSA-N -1 3 364.457 2.794 20 30 FFEDHM CC#CCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588746451 1080178414 /nfs/dbraw/zinc/17/84/14/1080178414.db2.gz RRVSWMLWPJJIQA-UHFFFAOYSA-N -1 3 363.381 2.589 20 30 FFEDHM CC#CCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588746451 1080178418 /nfs/dbraw/zinc/17/84/18/1080178418.db2.gz RRVSWMLWPJJIQA-UHFFFAOYSA-N -1 3 363.381 2.589 20 30 FFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001588893312 1080240642 /nfs/dbraw/zinc/24/06/42/1080240642.db2.gz HALFCAVOFDXZFZ-DLBZAZTESA-N -1 3 372.388 2.683 20 30 FFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001588893312 1080240650 /nfs/dbraw/zinc/24/06/50/1080240650.db2.gz HALFCAVOFDXZFZ-DLBZAZTESA-N -1 3 372.388 2.683 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588937313 1080273370 /nfs/dbraw/zinc/27/33/70/1080273370.db2.gz WMFHRJDDDGDRND-JTQLQIEISA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588937313 1080273377 /nfs/dbraw/zinc/27/33/77/1080273377.db2.gz WMFHRJDDDGDRND-JTQLQIEISA-N -1 3 367.344 2.941 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(F)c1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589057673 1080329942 /nfs/dbraw/zinc/32/99/42/1080329942.db2.gz FTPIYJRBROEVLD-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(F)c1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589057673 1080329949 /nfs/dbraw/zinc/32/99/49/1080329949.db2.gz FTPIYJRBROEVLD-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C(=O)Nc1nc2cc(C#N)ccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589059456 1080330869 /nfs/dbraw/zinc/33/08/69/1080330869.db2.gz WGTFPEAILOWBAI-UHFFFAOYSA-N -1 3 372.392 2.531 20 30 FFEDHM CC(C)(CC#N)CNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001589267382 1080454476 /nfs/dbraw/zinc/45/44/76/1080454476.db2.gz UDAACYPBISWTLX-UHFFFAOYSA-N -1 3 361.331 2.606 20 30 FFEDHM CC(C)(CC#N)CNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001589267382 1080454477 /nfs/dbraw/zinc/45/44/77/1080454477.db2.gz UDAACYPBISWTLX-UHFFFAOYSA-N -1 3 361.331 2.606 20 30 FFEDHM CC(C)C#CC(=O)N[C@H]1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589386926 1080512170 /nfs/dbraw/zinc/51/21/70/1080512170.db2.gz FQVRCIGBJYWPQG-KGLIPLIRSA-N -1 3 370.432 2.505 20 30 FFEDHM CC(C)C#CC(=O)N[C@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589386926 1080512175 /nfs/dbraw/zinc/51/21/75/1080512175.db2.gz FQVRCIGBJYWPQG-KGLIPLIRSA-N -1 3 370.432 2.505 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001589788192 1080740902 /nfs/dbraw/zinc/74/09/02/1080740902.db2.gz UQUOMSACIZAWKC-LLVKDONJSA-N -1 3 365.422 2.908 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001589788192 1080740908 /nfs/dbraw/zinc/74/09/08/1080740908.db2.gz UQUOMSACIZAWKC-LLVKDONJSA-N -1 3 365.422 2.908 20 30 FFEDHM CC(C=NNCc1ccc(-c2nnn[n-]2)cc1)=Cc1cccc([N+](=O)[O-])c1 ZINC001589787285 1080742154 /nfs/dbraw/zinc/74/21/54/1080742154.db2.gz OPIHMBRMXSQSQB-TZVOEULESA-N -1 3 363.381 2.954 20 30 FFEDHM CC(C=NNCc1ccc(-c2nn[n-]n2)cc1)=Cc1cccc([N+](=O)[O-])c1 ZINC001589787285 1080742158 /nfs/dbraw/zinc/74/21/58/1080742158.db2.gz OPIHMBRMXSQSQB-TZVOEULESA-N -1 3 363.381 2.954 20 30 FFEDHM C[C@H](CC(=O)OCc1ccccc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589796648 1080750556 /nfs/dbraw/zinc/75/05/56/1080750556.db2.gz XWTDUWWZTLUUDG-CYBMUJFWSA-N -1 3 362.393 2.672 20 30 FFEDHM C[C@H](CC(=O)OCc1ccccc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589796648 1080750560 /nfs/dbraw/zinc/75/05/60/1080750560.db2.gz XWTDUWWZTLUUDG-CYBMUJFWSA-N -1 3 362.393 2.672 20 30 FFEDHM C[C@@H](CCC(C)(C)C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589804886 1080761748 /nfs/dbraw/zinc/76/17/48/1080761748.db2.gz DHDZJOFLYNFUHN-XJKSGUPXSA-N -1 3 354.458 2.880 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cccc(C#N)c2)CC12CC(C(=O)[O-])C2 ZINC001589866758 1080815627 /nfs/dbraw/zinc/81/56/27/1080815627.db2.gz PWPVHCBYIFQXGW-BATSVXPKSA-N -1 3 370.449 2.813 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001589894088 1080840102 /nfs/dbraw/zinc/84/01/02/1080840102.db2.gz MFVCQBNZJBYTIM-KGLIPLIRSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001589894088 1080840107 /nfs/dbraw/zinc/84/01/07/1080840107.db2.gz MFVCQBNZJBYTIM-KGLIPLIRSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001589896494 1080845402 /nfs/dbraw/zinc/84/54/02/1080845402.db2.gz GRPBWEOUAZCOHP-CYBMUJFWSA-N -1 3 358.405 2.506 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001589896494 1080845404 /nfs/dbraw/zinc/84/54/04/1080845404.db2.gz GRPBWEOUAZCOHP-CYBMUJFWSA-N -1 3 358.405 2.506 20 30 FFEDHM C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001589915323 1080858240 /nfs/dbraw/zinc/85/82/40/1080858240.db2.gz GXTMSTGKDJXGEN-DYVFJYSZSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@H](NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(C#N)c1 ZINC001589916692 1080858265 /nfs/dbraw/zinc/85/82/65/1080858265.db2.gz AXRXQEMTQLJKRF-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(C#N)c1 ZINC001589916692 1080858269 /nfs/dbraw/zinc/85/82/69/1080858269.db2.gz AXRXQEMTQLJKRF-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)NCC1(C#N)CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589934903 1080878261 /nfs/dbraw/zinc/87/82/61/1080878261.db2.gz UPPCWTATENRLDA-ZDUSSCGKSA-N -1 3 353.430 2.701 20 30 FFEDHM C[C@H](NC(=O)NCC1(C#N)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589934903 1080878269 /nfs/dbraw/zinc/87/82/69/1080878269.db2.gz UPPCWTATENRLDA-ZDUSSCGKSA-N -1 3 353.430 2.701 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2c2ccc(C(F)(F)F)c(C#N)c2)NC(=O)[N-]C1=O ZINC000286293000 257029716 /nfs/dbraw/zinc/02/97/16/257029716.db2.gz HTCZHGCYMDQWHZ-BLLLJJGKSA-N -1 3 366.343 2.534 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000291277735 257395224 /nfs/dbraw/zinc/39/52/24/257395224.db2.gz RVAGYGXZZZKQMX-PKOBYXMFSA-N -1 3 369.465 2.768 20 30 FFEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000299651635 258014095 /nfs/dbraw/zinc/01/40/95/258014095.db2.gz VPYDNBBLILUVMZ-UHFFFAOYSA-N -1 3 368.418 2.899 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000330875122 258172435 /nfs/dbraw/zinc/17/24/35/258172435.db2.gz UDBWBGZQLUAECI-LRTDBIEQSA-N -1 3 373.497 2.902 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)nc(C)n1 ZINC000041574712 506531738 /nfs/dbraw/zinc/53/17/38/506531738.db2.gz ZUWUAVYBZPXWEL-AWEZNQCLSA-N -1 3 362.349 2.677 20 30 FFEDHM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000054727085 506612521 /nfs/dbraw/zinc/61/25/21/506612521.db2.gz CFAOYHFHDDDZPA-HNNXBMFYSA-N -1 3 351.410 2.843 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCc1ccc(F)cc1 ZINC000055369563 506736914 /nfs/dbraw/zinc/73/69/14/506736914.db2.gz ICFPSSCUEAEBAL-UHFFFAOYSA-N -1 3 355.413 2.636 20 30 FFEDHM COc1c(F)cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000055947932 506893016 /nfs/dbraw/zinc/89/30/16/506893016.db2.gz OIDNGNSNNLFVLJ-UHFFFAOYSA-N -1 3 361.348 2.722 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000056212958 506962876 /nfs/dbraw/zinc/96/28/76/506962876.db2.gz KGDGCOOHWPRKAU-UHFFFAOYSA-N -1 3 373.434 2.969 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000063667616 507757678 /nfs/dbraw/zinc/75/76/78/507757678.db2.gz KZHZXGHKQZGHPZ-UHFFFAOYSA-N -1 3 371.462 2.981 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000063747303 507766685 /nfs/dbraw/zinc/76/66/85/507766685.db2.gz PHBRGQUZXDSCSB-NSHDSACASA-N -1 3 371.890 2.648 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)Oc1ccccc1F ZINC000080751593 508100022 /nfs/dbraw/zinc/10/00/22/508100022.db2.gz RYOPZEQASYYNIG-GFCCVEGCSA-N -1 3 371.412 2.519 20 30 FFEDHM Cc1ccc2c(c1)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C[C@@H](C)O2 ZINC000081389447 508170852 /nfs/dbraw/zinc/17/08/52/508170852.db2.gz ORYDTELTVAEZAP-CYBMUJFWSA-N -1 3 365.433 2.919 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)CCO1 ZINC000076557855 508223740 /nfs/dbraw/zinc/22/37/40/508223740.db2.gz KMZUFSMISANDMC-CQSZACIVSA-N -1 3 357.435 2.584 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000105389731 508372232 /nfs/dbraw/zinc/37/22/32/508372232.db2.gz GNDLLYMIWZUGMT-UHFFFAOYSA-N -1 3 370.352 2.821 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000106420893 508400610 /nfs/dbraw/zinc/40/06/10/508400610.db2.gz FPGFDOMSNJOIEV-KRWDZBQOSA-N -1 3 368.824 2.831 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000127583163 508472150 /nfs/dbraw/zinc/47/21/50/508472150.db2.gz XEVVHODTPTXDCD-NHYWBVRUSA-N -1 3 372.899 2.545 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CCSC)ccc1F ZINC000134395717 508527850 /nfs/dbraw/zinc/52/78/50/508527850.db2.gz KEYDLQAOEZEDJK-LBPRGKRZSA-N -1 3 374.503 2.504 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1cccc(F)c1 ZINC000122607001 508561392 /nfs/dbraw/zinc/56/13/92/508561392.db2.gz ZANJTNVRPMHKEI-LLVKDONJSA-N -1 3 352.362 2.582 20 30 FFEDHM N#CCN(C(=O)CSc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000117113703 508579498 /nfs/dbraw/zinc/57/94/98/508579498.db2.gz RPCWOZJFQBMWMC-UHFFFAOYSA-N -1 3 350.407 2.516 20 30 FFEDHM CCc1ccc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000157741806 508605279 /nfs/dbraw/zinc/60/52/79/508605279.db2.gz KKYQANFJBBAAMD-UHFFFAOYSA-N -1 3 359.407 2.550 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000118161558 508637645 /nfs/dbraw/zinc/63/76/45/508637645.db2.gz OBSHJMNMTJJIAG-UHFFFAOYSA-N -1 3 356.382 2.992 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOCc1ccc(Cl)cc1 ZINC000154598901 508816350 /nfs/dbraw/zinc/81/63/50/508816350.db2.gz TYOPJCANYIMDQA-UHFFFAOYSA-N -1 3 368.817 2.846 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)oc1C ZINC000124435270 508831891 /nfs/dbraw/zinc/83/18/91/508831891.db2.gz PNTKPRHAPKBGOA-HNNXBMFYSA-N -1 3 362.407 2.698 20 30 FFEDHM C=C(C)CN(CC)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000154731128 508844080 /nfs/dbraw/zinc/84/40/80/508844080.db2.gz HDUBYMYRLTZXKF-UHFFFAOYSA-N -1 3 350.440 2.775 20 30 FFEDHM C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000124726548 508875758 /nfs/dbraw/zinc/87/57/58/508875758.db2.gz VWVSDTQATWRWGS-XJKSGUPXSA-N -1 3 362.426 2.530 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC000160061043 508932374 /nfs/dbraw/zinc/93/23/74/508932374.db2.gz MYTNCUODHXDNMW-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)sc1C ZINC000151212130 508979393 /nfs/dbraw/zinc/97/93/93/508979393.db2.gz IZPBIJAGSXBXBR-UHFFFAOYSA-N -1 3 353.444 2.984 20 30 FFEDHM N#Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000131993122 508987518 /nfs/dbraw/zinc/98/75/18/508987518.db2.gz NCRAEKMTTXTWQS-UHFFFAOYSA-N -1 3 369.808 2.515 20 30 FFEDHM CCOc1ccccc1N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000121341217 509168037 /nfs/dbraw/zinc/16/80/37/509168037.db2.gz SOSXHVVLXZKXDS-UHFFFAOYSA-N -1 3 353.422 2.858 20 30 FFEDHM CN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000248039198 509222437 /nfs/dbraw/zinc/22/24/37/509222437.db2.gz VEHUQESXDCCZDH-UHFFFAOYSA-N -1 3 361.398 2.612 20 30 FFEDHM C=C(C)CN(CC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000263916184 509226350 /nfs/dbraw/zinc/22/63/50/509226350.db2.gz NYBQATASEGJTFQ-UHFFFAOYSA-N -1 3 355.460 2.887 20 30 FFEDHM COc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000264012778 509281860 /nfs/dbraw/zinc/28/18/60/509281860.db2.gz CNJHROIUVFDYIV-UHFFFAOYSA-N -1 3 352.390 2.956 20 30 FFEDHM CC[C@](C)([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nccs1 ZINC000163483398 509381373 /nfs/dbraw/zinc/38/13/73/509381373.db2.gz KIKHSUDMLJECGQ-HNNXBMFYSA-N -1 3 353.444 2.899 20 30 FFEDHM N#Cc1cccnc1-n1cc(NC(=O)c2cn[n-]c2-c2ccsc2)cn1 ZINC000189130851 509427178 /nfs/dbraw/zinc/42/71/78/509427178.db2.gz ZXLLSSRNEORAGH-UHFFFAOYSA-N -1 3 361.390 2.843 20 30 FFEDHM N#Cc1cccnc1-n1cc(NC(=O)c2c[n-]nc2-c2ccsc2)cn1 ZINC000189130851 509427182 /nfs/dbraw/zinc/42/71/82/509427182.db2.gz ZXLLSSRNEORAGH-UHFFFAOYSA-N -1 3 361.390 2.843 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000165367774 509568568 /nfs/dbraw/zinc/56/85/68/509568568.db2.gz UYJAJUYIBZFWDK-CYBMUJFWSA-N -1 3 362.373 2.616 20 30 FFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000179782335 509619522 /nfs/dbraw/zinc/61/95/22/509619522.db2.gz PSOQWSBNRQDAFE-UHFFFAOYSA-N -1 3 355.419 2.866 20 30 FFEDHM Cc1cnc([C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)s1 ZINC000173614045 509675431 /nfs/dbraw/zinc/67/54/31/509675431.db2.gz WMFIZGIJMVWOSQ-KRWDZBQOSA-N -1 3 370.478 2.828 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccc(F)c(F)c1 ZINC000180182471 509798050 /nfs/dbraw/zinc/79/80/50/509798050.db2.gz YUNFIOFEQBRERV-MRXNPFEDSA-N -1 3 366.389 2.811 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(O[C@@H]2CCOC2)c1 ZINC000183451280 509798753 /nfs/dbraw/zinc/79/87/53/509798753.db2.gz ZVHIZMGYMZQATN-CABCVRRESA-N -1 3 362.389 2.626 20 30 FFEDHM N#Cc1ccc(CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C2CC2)cc1 ZINC000171136864 509962974 /nfs/dbraw/zinc/96/29/74/509962974.db2.gz NFIVMRNPNSUMKG-UHFFFAOYSA-N -1 3 360.373 2.638 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3C)CCCCC2)no1 ZINC000265823138 510248194 /nfs/dbraw/zinc/24/81/94/510248194.db2.gz BDWHMPQMOURUER-UHFFFAOYSA-N -1 3 360.439 2.696 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(Br)c1 ZINC000187637859 510365326 /nfs/dbraw/zinc/36/53/26/510365326.db2.gz PFGQCKMDKULCSM-ZDUSSCGKSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(Br)c1 ZINC000187637859 510365329 /nfs/dbraw/zinc/36/53/29/510365329.db2.gz PFGQCKMDKULCSM-ZDUSSCGKSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(Br)c1 ZINC000187637859 510365333 /nfs/dbraw/zinc/36/53/33/510365333.db2.gz PFGQCKMDKULCSM-ZDUSSCGKSA-N -1 3 356.183 2.715 20 30 FFEDHM CCn1ncc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc21 ZINC000194674809 510473649 /nfs/dbraw/zinc/47/36/49/510473649.db2.gz NALIDSODQNFAEJ-UHFFFAOYSA-N -1 3 363.421 2.804 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000178531325 510649139 /nfs/dbraw/zinc/64/91/39/510649139.db2.gz VGZKVWVJMBOSKP-FUHWJXTLSA-N -1 3 360.410 2.896 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000181906467 510653544 /nfs/dbraw/zinc/65/35/44/510653544.db2.gz DJTJURYLESNOII-UHFFFAOYSA-N -1 3 368.315 2.710 20 30 FFEDHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185072707 510668468 /nfs/dbraw/zinc/66/84/68/510668468.db2.gz JJGPXRBHEWFWTC-XJKSGUPXSA-N -1 3 356.875 2.941 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000185282837 510789656 /nfs/dbraw/zinc/78/96/56/510789656.db2.gz CODYPBBJMQSLKS-WFASDCNBSA-N -1 3 372.899 2.545 20 30 FFEDHM N#Cc1ccc(OC2CCC(NC(=O)/C=C/c3cncc([O-])c3)CC2)nc1 ZINC000182176949 510796711 /nfs/dbraw/zinc/79/67/11/510796711.db2.gz IMGIQZMACVDRCF-LREOWRDNSA-N -1 3 364.405 2.573 20 30 FFEDHM N#Cc1ccccc1N1CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000172626547 510828003 /nfs/dbraw/zinc/82/80/03/510828003.db2.gz WBYQSGPUBOAOQZ-UHFFFAOYSA-N -1 3 368.412 2.825 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2CC=CCC2)CCCC1 ZINC000329930687 510880613 /nfs/dbraw/zinc/88/06/13/510880613.db2.gz ZUOIWJHXVSVQKQ-AWEZNQCLSA-N -1 3 367.471 2.948 20 30 FFEDHM CCCC[N-]C(=S)C(C(=O)c1nccs1)[n+]1cc([O-])ccc1C ZINC000278195352 510985422 /nfs/dbraw/zinc/98/54/22/510985422.db2.gz GNUMADHXKJYBMP-UHFFFAOYSA-O -1 3 350.489 2.773 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1nc(-c2cccc(F)c2)no1 ZINC000295278234 511345656 /nfs/dbraw/zinc/34/56/56/511345656.db2.gz SOPLZOIAPAJHNR-LLVKDONJSA-N -1 3 366.418 2.796 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000272051089 511413851 /nfs/dbraw/zinc/41/38/51/511413851.db2.gz NFGCQBHPAVJVCZ-MFKMUULPSA-N -1 3 362.373 2.813 20 30 FFEDHM COc1ccc(C2(C/N=C/c3c([O-])c(C)ncc3CO)CCOCC2)cc1 ZINC000299147744 511532281 /nfs/dbraw/zinc/53/22/81/511532281.db2.gz CNIWDOLBJIAIPQ-WSDLNYQXSA-N -1 3 370.449 2.764 20 30 FFEDHM Cc1cccnc1CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000296084850 511614859 /nfs/dbraw/zinc/61/48/59/511614859.db2.gz PMEYIWYEZJAQBF-UHFFFAOYSA-N -1 3 369.368 2.802 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000314907545 511797595 /nfs/dbraw/zinc/79/75/95/511797595.db2.gz JBNWNQYRUMMFRO-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM COC(=O)c1cnc(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)[n-]1 ZINC000274918437 511987914 /nfs/dbraw/zinc/98/79/14/511987914.db2.gz MIMKHTPYJMDIHO-UHFFFAOYSA-N -1 3 372.450 2.852 20 30 FFEDHM CN1CC[C@@H](N2CCC(NC(=O)c3cc([O-])c4ccccc4c3)CC2)C1=O ZINC000329200418 512004295 /nfs/dbraw/zinc/00/42/95/512004295.db2.gz WHKQVALTIXTJQI-GOSISDBHSA-N -1 3 367.449 2.545 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)n[n-]2)o1 ZINC000366556161 512084302 /nfs/dbraw/zinc/08/43/02/512084302.db2.gz GHGKYCMSOAJNAI-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)[n-]n2)o1 ZINC000366556161 512084305 /nfs/dbraw/zinc/08/43/05/512084305.db2.gz GHGKYCMSOAJNAI-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@H]2CCCSC2)NC(=O)[N-]C1=O ZINC000329711099 512088879 /nfs/dbraw/zinc/08/88/79/512088879.db2.gz ODIIATNTFYOMLS-BFQNTYOBSA-N -1 3 354.476 2.541 20 30 FFEDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2C#N)c2ccccn2)cc1 ZINC000373686365 512456535 /nfs/dbraw/zinc/45/65/35/512456535.db2.gz RGCKTBRTJMHSAY-LJQANCHMSA-N -1 3 364.430 2.725 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000376523636 512856906 /nfs/dbraw/zinc/85/69/06/512856906.db2.gz WPMLCLMAWBTFHM-CWTRNNRKSA-N -1 3 369.396 2.986 20 30 FFEDHM COC(=O)c1[n-]c(=NC2CCC(Oc3ncccc3C#N)CC2)sc1C ZINC000433772400 513146750 /nfs/dbraw/zinc/14/67/50/513146750.db2.gz AQIUJRHNRDIKNV-UHFFFAOYSA-N -1 3 372.450 2.729 20 30 FFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421244431 513174557 /nfs/dbraw/zinc/17/45/57/513174557.db2.gz GBKKKTLLLZQGAR-ZDUSSCGKSA-N -1 3 350.774 2.912 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000424564392 513184132 /nfs/dbraw/zinc/18/41/32/513184132.db2.gz ODPIHZRPWIZWHP-UHFFFAOYSA-N -1 3 356.513 2.620 20 30 FFEDHM COC(=O)c1cc(C)nc2nc(SCCCSCC#N)[n-]c(=O)c21 ZINC000412998813 513384310 /nfs/dbraw/zinc/38/43/10/513384310.db2.gz ZMXYESBZFUIHEZ-UHFFFAOYSA-N -1 3 364.452 2.564 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(N4CCNC4=O)c3C)nc1-2 ZINC000429567719 513412421 /nfs/dbraw/zinc/41/24/21/513412421.db2.gz YEEGXJJOTISOTF-AWEZNQCLSA-N -1 3 374.404 2.594 20 30 FFEDHM CC(C)(C)OC(=O)C(C)(C)CC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000425190290 513444067 /nfs/dbraw/zinc/44/40/67/513444067.db2.gz QRUUYNBMVWNWKP-UHFFFAOYSA-N -1 3 370.446 2.734 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000447678621 513539347 /nfs/dbraw/zinc/53/93/47/513539347.db2.gz LBSYINMBACJKMH-IBGZPJMESA-N -1 3 356.426 2.867 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000447678621 513539349 /nfs/dbraw/zinc/53/93/49/513539349.db2.gz LBSYINMBACJKMH-IBGZPJMESA-N -1 3 356.426 2.867 20 30 FFEDHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435421814 513578568 /nfs/dbraw/zinc/57/85/68/513578568.db2.gz JPLTXYZIDORROH-GFCCVEGCSA-N -1 3 350.465 2.928 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC000447847719 513597084 /nfs/dbraw/zinc/59/70/84/513597084.db2.gz HITMNLIQMUJGPL-UHFFFAOYSA-N -1 3 373.768 2.687 20 30 FFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)s1 ZINC000451249653 513620356 /nfs/dbraw/zinc/62/03/56/513620356.db2.gz VTDQIVFOHXEMBE-UHFFFAOYSA-N -1 3 355.872 2.958 20 30 FFEDHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000447938627 513631731 /nfs/dbraw/zinc/63/17/31/513631731.db2.gz BRFBCWSCTLBHRS-OAHLLOKOSA-N -1 3 355.891 2.610 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)nc(C)n1 ZINC000442663409 513753944 /nfs/dbraw/zinc/75/39/44/513753944.db2.gz XHWZQDCZCXGTSG-LBPRGKRZSA-N -1 3 350.300 2.920 20 30 FFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442760191 513772280 /nfs/dbraw/zinc/77/22/80/513772280.db2.gz TZJNKXLLDOYMGJ-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1(CO)CCCC1 ZINC000416505573 513807658 /nfs/dbraw/zinc/80/76/58/513807658.db2.gz BLXWNRGFCUCPDM-INIZCTEOSA-N -1 3 354.447 2.553 20 30 FFEDHM CN(CCC[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1F ZINC000443019988 513843385 /nfs/dbraw/zinc/84/33/85/513843385.db2.gz BMKQGEOCRDZACX-UHFFFAOYSA-N -1 3 365.405 2.641 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCCC[C@@H]1C ZINC000443101385 513872415 /nfs/dbraw/zinc/87/24/15/513872415.db2.gz CORKOZCRLGBSEB-STQMWFEESA-N -1 3 355.891 2.753 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccs1 ZINC000443127465 513880240 /nfs/dbraw/zinc/88/02/40/513880240.db2.gz BXNUYYCHTFFKAF-UHFFFAOYSA-N -1 3 351.409 2.742 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccc(-n2ccnc2)c1 ZINC000443138963 513884463 /nfs/dbraw/zinc/88/44/63/513884463.db2.gz VYYFDXAAYJEWGB-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451646959 513887120 /nfs/dbraw/zinc/88/71/20/513887120.db2.gz LFCVLMMTRBKARI-SNVBAGLBSA-N -1 3 370.780 2.847 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000416674917 513902242 /nfs/dbraw/zinc/90/22/42/513902242.db2.gz WIGIFONKXNXDDC-UHFFFAOYSA-N -1 3 363.317 2.586 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000443305357 513928010 /nfs/dbraw/zinc/92/80/10/513928010.db2.gz FWLVRWXFBQGGTI-OAHLLOKOSA-N -1 3 356.875 2.821 20 30 FFEDHM C[C@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443350340 513946060 /nfs/dbraw/zinc/94/60/60/513946060.db2.gz XIPYRLIHUVNGFC-WCQYABFASA-N -1 3 351.428 2.960 20 30 FFEDHM CC#CCN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436784036 513979411 /nfs/dbraw/zinc/97/94/11/513979411.db2.gz OMITZJSKWHGFEB-IBGZPJMESA-N -1 3 350.418 2.735 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OC(C)(C)C ZINC000443502914 513980648 /nfs/dbraw/zinc/98/06/48/513980648.db2.gz RPTQFEPYPDLZCA-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3ccc([O-])c(F)c3)C2)c(F)c1 ZINC000448948226 513986565 /nfs/dbraw/zinc/98/65/65/513986565.db2.gz CFGQYZLPRABTON-HNNXBMFYSA-N -1 3 371.387 2.870 20 30 FFEDHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000451818266 514000291 /nfs/dbraw/zinc/00/02/91/514000291.db2.gz OQGIYBWPZCIHBQ-HIFRSBDPSA-N -1 3 356.875 2.941 20 30 FFEDHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000451819144 514001445 /nfs/dbraw/zinc/00/14/45/514001445.db2.gz SSPKGTTYBWACOC-WFASDCNBSA-N -1 3 356.875 2.941 20 30 FFEDHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000451819142 514001603 /nfs/dbraw/zinc/00/16/03/514001603.db2.gz SSPKGTTYBWACOC-IUODEOHRSA-N -1 3 356.875 2.941 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)c3ccc(O)cc3[O-])CC2)c(Cl)c1 ZINC000436997840 514070244 /nfs/dbraw/zinc/07/02/44/514070244.db2.gz ARLOTBUZXIEIJU-UHFFFAOYSA-N -1 3 357.797 2.585 20 30 FFEDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)CC1 ZINC000414387142 514084222 /nfs/dbraw/zinc/08/42/22/514084222.db2.gz YNIIBIMYMSVVMK-UHFFFAOYSA-N -1 3 366.439 2.597 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000452027269 514144537 /nfs/dbraw/zinc/14/45/37/514144537.db2.gz DWXGRAMZCLRJPC-SNVBAGLBSA-N -1 3 357.781 2.964 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000432303246 514153944 /nfs/dbraw/zinc/15/39/44/514153944.db2.gz QABMDLZZTREZDV-HNNXBMFYSA-N -1 3 369.368 2.968 20 30 FFEDHM C=CCNc1ncc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)s1 ZINC000433065793 514368204 /nfs/dbraw/zinc/36/82/04/514368204.db2.gz FAXCCXDHEWWLCX-UHFFFAOYSA-N -1 3 361.377 2.505 20 30 FFEDHM N#Cc1csc(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000417570398 514413203 /nfs/dbraw/zinc/41/32/03/514413203.db2.gz WJCCRPHLCRGPCM-INIZCTEOSA-N -1 3 362.476 2.975 20 30 FFEDHM COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(C#N)c(OC)c1)C(=O)[O-] ZINC000417575267 514415454 /nfs/dbraw/zinc/41/54/54/514415454.db2.gz FLNJQMJHHJATGK-NRFANRHFSA-N -1 3 366.417 2.981 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1cccc(Cl)c1 ZINC000428398036 514466276 /nfs/dbraw/zinc/46/62/76/514466276.db2.gz HEQZKYPCBYYEOV-CYBMUJFWSA-N -1 3 365.842 2.743 20 30 FFEDHM CO[C@@](C)(CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000452758982 514487866 /nfs/dbraw/zinc/48/78/66/514487866.db2.gz WEIMQCCXCCNILU-NRFANRHFSA-N -1 3 367.449 2.886 20 30 FFEDHM CCOC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1 ZINC000433467984 514500222 /nfs/dbraw/zinc/50/02/22/514500222.db2.gz HFJAZOLIEDWYIB-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM CCOC(=O)c1c([N-]C(=O)C(=O)N(C)[C@@H](C)CC#N)scc1C(C)C ZINC000439394551 514544547 /nfs/dbraw/zinc/54/45/47/514544547.db2.gz GUYVFKAXRUYYJD-NSHDSACASA-N -1 3 365.455 2.747 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C ZINC000452930739 514562523 /nfs/dbraw/zinc/56/25/23/514562523.db2.gz OUHULKIDPPMAFE-MJGOQNOKSA-N -1 3 361.486 2.614 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000508087960 514662951 /nfs/dbraw/zinc/66/29/51/514662951.db2.gz IGXZXOPVAMEQFJ-LLVKDONJSA-N -1 3 367.265 2.512 20 30 FFEDHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475541109 514710152 /nfs/dbraw/zinc/71/01/52/514710152.db2.gz COZSNJDKINYCFR-UHFFFAOYSA-N -1 3 374.853 2.848 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000466881336 514811629 /nfs/dbraw/zinc/81/16/29/514811629.db2.gz FZMUETAUYVTJMX-LBPRGKRZSA-N -1 3 350.362 2.526 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000489557866 514894709 /nfs/dbraw/zinc/89/47/09/514894709.db2.gz ACKMGHQSRNVKLO-AWEZNQCLSA-N -1 3 356.875 2.721 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)s1)c1cc(C(F)(F)F)on1 ZINC000490454679 515218666 /nfs/dbraw/zinc/21/86/66/515218666.db2.gz RFSTYLSLFDILSV-UHFFFAOYSA-N -1 3 365.358 2.840 20 30 FFEDHM COCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000499706790 515421823 /nfs/dbraw/zinc/42/18/23/515421823.db2.gz MEMMENYVGOSIAB-UHFFFAOYSA-N -1 3 362.373 2.672 20 30 FFEDHM C=C(C)CN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000477443351 515458748 /nfs/dbraw/zinc/45/87/48/515458748.db2.gz BTPHTOVLNQKGRU-UHFFFAOYSA-N -1 3 365.377 2.567 20 30 FFEDHM N#CCCCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000486448643 515487122 /nfs/dbraw/zinc/48/71/22/515487122.db2.gz HDTGBCKDLQEULX-UHFFFAOYSA-N -1 3 359.810 2.552 20 30 FFEDHM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473053311 515491497 /nfs/dbraw/zinc/49/14/97/515491497.db2.gz VIHJFTNDPWDLKG-UHFFFAOYSA-N -1 3 353.422 2.894 20 30 FFEDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000486532575 515527593 /nfs/dbraw/zinc/52/75/93/515527593.db2.gz CHULMNZLTFOKHU-UHFFFAOYSA-N -1 3 363.826 2.995 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)c(Cl)c1 ZINC000459433467 515548909 /nfs/dbraw/zinc/54/89/09/515548909.db2.gz SWCFLNDQTPMCJJ-UHFFFAOYSA-N -1 3 369.856 2.907 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000500426681 515705672 /nfs/dbraw/zinc/70/56/72/515705672.db2.gz ILOPLUFCGNRLRZ-UHFFFAOYSA-N -1 3 363.508 2.739 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1c(F)cncc1F ZINC000511027299 515750358 /nfs/dbraw/zinc/75/03/58/515750358.db2.gz IZBGHKQYVPCJFS-MRVPVSSYSA-N -1 3 357.769 2.924 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000473855338 515777520 /nfs/dbraw/zinc/77/75/20/515777520.db2.gz IYPAOPITFYDFPX-QGZVFWFLSA-N -1 3 354.410 2.743 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1 ZINC000464416379 515814973 /nfs/dbraw/zinc/81/49/73/515814973.db2.gz ICGMTHLZRLAWQI-INIZCTEOSA-N -1 3 356.419 2.609 20 30 FFEDHM N#Cc1ccc(CC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511357662 515875037 /nfs/dbraw/zinc/87/50/37/515875037.db2.gz ZXHORRFRXWFWAC-UHFFFAOYSA-N -1 3 355.195 2.572 20 30 FFEDHM COCC1(C#N)CCN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)CC1 ZINC000511831821 516046093 /nfs/dbraw/zinc/04/60/93/516046093.db2.gz KFHAZNXJSVOYBE-UHFFFAOYSA-N -1 3 353.422 2.537 20 30 FFEDHM Cc1nc2ccc(Br)cn2c1C([O-])=C(C#N)c1ccncn1 ZINC000483802542 516215719 /nfs/dbraw/zinc/21/57/19/516215719.db2.gz DDBOWDWBPGQKMS-LLVKDONJSA-N -1 3 356.183 2.685 20 30 FFEDHM CN(CC(C)(C)C#N)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000497326514 516307853 /nfs/dbraw/zinc/30/78/53/516307853.db2.gz VNYFBONZHAWKFO-UHFFFAOYSA-N -1 3 372.450 2.652 20 30 FFEDHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3ccncc3C#N)no2)c1 ZINC000539939798 516365596 /nfs/dbraw/zinc/36/55/96/516365596.db2.gz FOQFMKJYSNCYIE-UHFFFAOYSA-N -1 3 362.345 2.975 20 30 FFEDHM COc1ccc([O-])c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000543929320 516501619 /nfs/dbraw/zinc/50/16/19/516501619.db2.gz AGKHLHZPLUXHIQ-UHFFFAOYSA-N -1 3 368.780 2.786 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000518000241 516518264 /nfs/dbraw/zinc/51/82/64/516518264.db2.gz RRVPZRDBVQVRMM-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000536120880 516638899 /nfs/dbraw/zinc/63/88/99/516638899.db2.gz GQQJWCRFROLVPU-GTNSWQLSSA-N -1 3 366.389 2.891 20 30 FFEDHM C[C@H](C#N)CNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000518421203 516653182 /nfs/dbraw/zinc/65/31/82/516653182.db2.gz PAJREKRVUTUFBM-GFCCVEGCSA-N -1 3 369.512 2.639 20 30 FFEDHM Cc1nn(C)c2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4n3C)cc12 ZINC000513681795 516717562 /nfs/dbraw/zinc/71/75/62/516717562.db2.gz JMLKTDFQFITBES-HNNXBMFYSA-N -1 3 358.405 2.962 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cncc(C)c3)no2)ccc1F ZINC000545025289 517026297 /nfs/dbraw/zinc/02/62/97/517026297.db2.gz BDLYXYLPTPDTMB-UHFFFAOYSA-N -1 3 374.397 2.710 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000537183694 517072247 /nfs/dbraw/zinc/07/22/47/517072247.db2.gz MFQUFVCNCNCUNT-DIFFPNOSSA-N -1 3 366.389 2.891 20 30 FFEDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)ccc1Cl ZINC000559157805 517107042 /nfs/dbraw/zinc/10/70/42/517107042.db2.gz IHGLJUZPZAMMEQ-UHFFFAOYSA-N -1 3 368.817 2.880 20 30 FFEDHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000514893984 517111524 /nfs/dbraw/zinc/11/15/24/517111524.db2.gz PJBIXADVDKZMRJ-HNNXBMFYSA-N -1 3 362.838 2.802 20 30 FFEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000526923963 517390846 /nfs/dbraw/zinc/39/08/46/517390846.db2.gz JOUXHYLUSJIEOX-UHFFFAOYSA-N -1 3 369.384 2.980 20 30 FFEDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000533554125 517523978 /nfs/dbraw/zinc/52/39/78/517523978.db2.gz YONSWMPEXBAQIQ-OAHLLOKOSA-N -1 3 350.827 2.532 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000530729415 517946990 /nfs/dbraw/zinc/94/69/90/517946990.db2.gz HUYKRUHDZWOFDU-OAHLLOKOSA-N -1 3 352.362 2.502 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000563528509 517963542 /nfs/dbraw/zinc/96/35/42/517963542.db2.gz AAYHISLZHBWQHF-GBIKHYSHSA-N -1 3 355.257 2.788 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000582060223 518569634 /nfs/dbraw/zinc/56/96/34/518569634.db2.gz YOYYQKPYJXSIJI-KPZWWZAWSA-N -1 3 360.410 2.833 20 30 FFEDHM Cn1nc(-c2ccccc2)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000582164025 518617807 /nfs/dbraw/zinc/61/78/07/518617807.db2.gz ACGAAUBODYCGRQ-OAHLLOKOSA-N -1 3 360.421 2.895 20 30 FFEDHM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)CC3 ZINC000567667329 518640903 /nfs/dbraw/zinc/64/09/03/518640903.db2.gz HFUWTDSXKSAJLO-ZDUSSCGKSA-N -1 3 366.446 2.579 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(C)o3)no2)ccc1F ZINC000576660449 518699169 /nfs/dbraw/zinc/69/91/69/518699169.db2.gz WSUJLAWEAQPVOJ-UHFFFAOYSA-N -1 3 363.370 2.908 20 30 FFEDHM CCCN(C)[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000588258923 518762986 /nfs/dbraw/zinc/76/29/86/518762986.db2.gz OMURKICXCVCPCH-MRXNPFEDSA-N -1 3 374.876 2.572 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000570899128 518830393 /nfs/dbraw/zinc/83/03/93/518830393.db2.gz NDSWDDRKUIUHBE-MNOVXSKESA-N -1 3 366.664 2.724 20 30 FFEDHM CO[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc4nccnc4n3)sc2C1 ZINC000579806349 518862131 /nfs/dbraw/zinc/86/21/31/518862131.db2.gz CBTOIOBFPFNBOT-JTQLQIEISA-N -1 3 365.418 2.714 20 30 FFEDHM C=CCOc1c(Br)cc(CNC2(C(=O)[O-])CC2)cc1OC ZINC000574263572 519070270 /nfs/dbraw/zinc/07/02/70/519070270.db2.gz QHNDAMDHDVHEEH-UHFFFAOYSA-N -1 3 356.216 2.729 20 30 FFEDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000574438369 519155866 /nfs/dbraw/zinc/15/58/66/519155866.db2.gz HTNWKFNXLYYWLC-AWEZNQCLSA-N -1 3 372.874 2.803 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000574944528 519415097 /nfs/dbraw/zinc/41/50/97/519415097.db2.gz SNUVNYYNJRSVQL-QGZVFWFLSA-N -1 3 362.426 2.735 20 30 FFEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCC[C@@]3(CCCCO3)[C@H]1C#N)c2=O ZINC000566404730 519473877 /nfs/dbraw/zinc/47/38/77/519473877.db2.gz VMOWBWRIIVCUEY-UTKZUKDTSA-N -1 3 365.433 2.904 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000578413020 519578236 /nfs/dbraw/zinc/57/82/36/519578236.db2.gz YIGINWNMANAANQ-UHFFFAOYSA-N -1 3 356.419 2.753 20 30 FFEDHM C=CCSc1ccccc1C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000566730980 519626511 /nfs/dbraw/zinc/62/65/11/519626511.db2.gz YZYDDKJLDPENFA-YJYMSZOUSA-N -1 3 373.478 2.558 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594723400 520113664 /nfs/dbraw/zinc/11/36/64/520113664.db2.gz NWKUTGWVBHZBMV-NSHDSACASA-N -1 3 351.653 2.929 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@](C)(O)C(C)C ZINC000594760771 520140140 /nfs/dbraw/zinc/14/01/40/520140140.db2.gz SJNRTNOYDYPVFQ-MRXNPFEDSA-N -1 3 352.481 2.767 20 30 FFEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)C#N ZINC000594760381 520141186 /nfs/dbraw/zinc/14/11/86/520141186.db2.gz YWACHQAXDMSZHN-SNVBAGLBSA-N -1 3 361.261 2.676 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@H](O)C1(C)C ZINC000594767128 520143467 /nfs/dbraw/zinc/14/34/67/520143467.db2.gz LTOQRFKULGBRCO-KGLIPLIRSA-N -1 3 350.465 2.519 20 30 FFEDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594783747 520156106 /nfs/dbraw/zinc/15/61/06/520156106.db2.gz IDEZARWBXPOQIR-KGLIPLIRSA-N -1 3 350.465 2.927 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cccc(OC)c1 ZINC000594829134 520176671 /nfs/dbraw/zinc/17/66/71/520176671.db2.gz HZQTXIGPAVRVHT-KRWDZBQOSA-N -1 3 366.483 2.776 20 30 FFEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1C ZINC000594869671 520200197 /nfs/dbraw/zinc/20/01/97/520200197.db2.gz PVKNEPWXRSWZFW-UHFFFAOYSA-N -1 3 351.428 2.964 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000595377483 520437763 /nfs/dbraw/zinc/43/77/63/520437763.db2.gz OSXSVEZBGHBUTL-QGZVFWFLSA-N -1 3 354.447 2.712 20 30 FFEDHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000595393623 520444067 /nfs/dbraw/zinc/44/40/67/520444067.db2.gz XHIZKQSOSAVJRR-NSHDSACASA-N -1 3 362.373 2.670 20 30 FFEDHM C[C@@]1(c2ccc(CNc3cc(Cl)ccc3C#N)cc2)NC(=O)[N-]C1=O ZINC000609892763 520471642 /nfs/dbraw/zinc/47/16/42/520471642.db2.gz UBFWVXBRLPTVNB-SFHVURJKSA-N -1 3 354.797 2.878 20 30 FFEDHM Cc1nc([C@@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)no1 ZINC000609975614 520494663 /nfs/dbraw/zinc/49/46/63/520494663.db2.gz PWMUSVCATPGGLV-INIZCTEOSA-N -1 3 369.425 2.654 20 30 FFEDHM COc1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)ccc1[O-] ZINC000598244779 520516989 /nfs/dbraw/zinc/51/69/89/520516989.db2.gz CSHRJBPDORIZKL-UHFFFAOYSA-N -1 3 352.390 2.708 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)C[C@@H](C)O ZINC000610163763 520566266 /nfs/dbraw/zinc/56/62/66/520566266.db2.gz LCAIQMAYVCNXTG-CQSZACIVSA-N -1 3 367.449 2.618 20 30 FFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cccs1 ZINC000613906035 520722569 /nfs/dbraw/zinc/72/25/69/520722569.db2.gz FERYOAIOCKXIOU-ZDUSSCGKSA-N -1 3 370.496 2.746 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000613949450 520738687 /nfs/dbraw/zinc/73/86/87/520738687.db2.gz IGDOEACCIWEDND-LBPRGKRZSA-N -1 3 370.764 2.902 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598623622 520749467 /nfs/dbraw/zinc/74/94/67/520749467.db2.gz ZOOLBGVACWPLOS-SECBINFHSA-N -1 3 365.199 2.644 20 30 FFEDHM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[nH]n1 ZINC000601425344 520782081 /nfs/dbraw/zinc/78/20/81/520782081.db2.gz CIAZURHXYSRWPZ-SNVBAGLBSA-N -1 3 372.372 2.518 20 30 FFEDHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2OC)n1 ZINC000601442760 520786941 /nfs/dbraw/zinc/78/69/41/520786941.db2.gz JNPCJQSSBQPBNW-JTQLQIEISA-N -1 3 351.453 2.625 20 30 FFEDHM C=CCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)n[n-]c1=O ZINC000610737530 520821285 /nfs/dbraw/zinc/82/12/85/520821285.db2.gz MLBYZARZILJKJG-UHFFFAOYSA-N -1 3 352.423 2.828 20 30 FFEDHM CSc1cc2c(cc1[N-]S(=O)(=O)CCC(C)(C)C#N)OCCO2 ZINC000593207991 520828317 /nfs/dbraw/zinc/82/83/17/520828317.db2.gz HGZSMOREQQSJNZ-UHFFFAOYSA-N -1 3 356.469 2.861 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCn3nccc32)c(C(F)(F)F)c1 ZINC000601538860 520831831 /nfs/dbraw/zinc/83/18/31/520831831.db2.gz GCKAIEYDJLWBQR-GFCCVEGCSA-N -1 3 370.356 2.587 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3nc(C)c(C)s3)sc2C1 ZINC000598890094 520904274 /nfs/dbraw/zinc/90/42/74/520904274.db2.gz FYXVEBBWQISDCK-UHFFFAOYSA-N -1 3 360.464 2.850 20 30 FFEDHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611017013 520949706 /nfs/dbraw/zinc/94/97/06/520949706.db2.gz ZWSSJOXSIVPKLC-UHFFFAOYSA-N -1 3 365.842 2.711 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000611026340 520951842 /nfs/dbraw/zinc/95/18/42/520951842.db2.gz ZTKHANMJBGDTSF-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Cl)cc1 ZINC000593559576 521076940 /nfs/dbraw/zinc/07/69/40/521076940.db2.gz XHWMMZHUUDSARF-ZDUSSCGKSA-N -1 3 369.899 2.854 20 30 FFEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CN1Cc1ccccc1 ZINC000593562214 521078811 /nfs/dbraw/zinc/07/88/11/521078811.db2.gz CKRRWQHBWZZZRC-HIFRSBDPSA-N -1 3 361.492 2.561 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@@H]1OCCc2sccc21 ZINC000593598142 521098873 /nfs/dbraw/zinc/09/88/73/521098873.db2.gz OVOFZDNLYSSGED-XPTSAGLGSA-N -1 3 354.478 2.662 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1cccs1)C1(CO)CCC1 ZINC000593606742 521103510 /nfs/dbraw/zinc/10/35/10/521103510.db2.gz XUZOXBAKKXRGCB-AWEZNQCLSA-N -1 3 368.505 2.863 20 30 FFEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000599306438 521141430 /nfs/dbraw/zinc/14/14/30/521141430.db2.gz XSHOCZQUOBFUFZ-UHFFFAOYSA-N -1 3 361.236 2.869 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)[N-]c2nncn2-c2ccccc2)cc1 ZINC000611442502 521160193 /nfs/dbraw/zinc/16/01/93/521160193.db2.gz YZJDRZMCFRBPNJ-SFHVURJKSA-N -1 3 358.405 2.746 20 30 FFEDHM C=CCCCCCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000606883654 521193291 /nfs/dbraw/zinc/19/32/91/521193291.db2.gz QKFRJSPZWHYJMQ-AWEZNQCLSA-N -1 3 356.463 2.697 20 30 FFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C[C@H]4CCOC4)nn3)sc2C1 ZINC000602231962 521224554 /nfs/dbraw/zinc/22/45/54/521224554.db2.gz SPBVAIPZSBABNI-NWDGAFQWSA-N -1 3 371.466 2.625 20 30 FFEDHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1F ZINC000619464079 521582807 /nfs/dbraw/zinc/58/28/07/521582807.db2.gz VWCIJPGJJGYBNL-UHFFFAOYSA-N -1 3 366.345 2.618 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1cc(C)cc(C)c1 ZINC000619497186 521598773 /nfs/dbraw/zinc/59/87/73/521598773.db2.gz PPRMVHBZINVLKI-GOSISDBHSA-N -1 3 372.446 2.562 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619507422 521602728 /nfs/dbraw/zinc/60/27/28/521602728.db2.gz QLCDNZGOLAHIPY-UHFFFAOYSA-N -1 3 355.416 2.744 20 30 FFEDHM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(C#N)s3)c2c1 ZINC000619547952 521764608 /nfs/dbraw/zinc/76/46/08/521764608.db2.gz NPHWJACURJUKHU-UHFFFAOYSA-N -1 3 361.448 2.631 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)s1 ZINC000619681773 521823222 /nfs/dbraw/zinc/82/32/22/521823222.db2.gz BUTDRGGDNSJEFY-LMWSTFAQSA-N -1 3 369.512 2.553 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cscc1Br ZINC000632301104 522012597 /nfs/dbraw/zinc/01/25/97/522012597.db2.gz MTPUFDVSZYNBAI-SKDRFNHKSA-N -1 3 366.302 2.770 20 30 FFEDHM C=CCOc1c(Cl)cc(CNC2(c3nn[n-]n3)CCCC2)cc1OC ZINC000628232209 523429667 /nfs/dbraw/zinc/42/96/67/523429667.db2.gz QETOOBCWBNOCBJ-UHFFFAOYSA-N -1 3 363.849 2.986 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000628489760 523579380 /nfs/dbraw/zinc/57/93/80/523579380.db2.gz GPQJUCYICBFNMI-CYBMUJFWSA-N -1 3 355.394 2.979 20 30 FFEDHM N#Cc1ccccc1NC(=O)CCCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473858458 561059406 /nfs/dbraw/zinc/05/94/06/561059406.db2.gz RCPJEBCKDCATJV-INIZCTEOSA-N -1 3 367.409 2.880 20 30 FFEDHM Cc1c(Cl)cnc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1C#N ZINC000541347593 562609826 /nfs/dbraw/zinc/60/98/26/562609826.db2.gz ACAQKWXXQAJSDN-SFHVURJKSA-N -1 3 369.812 2.582 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNc2ncccc2-c2nnn[n-]2)ccc1OC ZINC000736309277 598830070 /nfs/dbraw/zinc/83/00/70/598830070.db2.gz MUXWTBJEIDYSQD-ZDUSSCGKSA-N -1 3 365.397 2.563 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNc2ncccc2-c2nn[n-]n2)ccc1OC ZINC000736309277 598830072 /nfs/dbraw/zinc/83/00/72/598830072.db2.gz MUXWTBJEIDYSQD-ZDUSSCGKSA-N -1 3 365.397 2.563 20 30 FFEDHM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1-c1nnn[n-]1 ZINC000737706740 598913834 /nfs/dbraw/zinc/91/38/34/598913834.db2.gz YOIZHVHWZIAZGD-UHFFFAOYSA-N -1 3 362.368 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1-c1nn[n-]n1 ZINC000737706740 598913835 /nfs/dbraw/zinc/91/38/35/598913835.db2.gz YOIZHVHWZIAZGD-UHFFFAOYSA-N -1 3 362.368 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)CCSc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737704864 598920126 /nfs/dbraw/zinc/92/01/26/598920126.db2.gz LEZPBMBTHIQVEJ-UHFFFAOYSA-N -1 3 350.407 2.859 20 30 FFEDHM N#Cc1cc(NC(=O)CCSc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737704864 598920128 /nfs/dbraw/zinc/92/01/28/598920128.db2.gz LEZPBMBTHIQVEJ-UHFFFAOYSA-N -1 3 350.407 2.859 20 30 FFEDHM Cc1ccc2c(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)coc2c1 ZINC000737371756 598921245 /nfs/dbraw/zinc/92/12/45/598921245.db2.gz KVYNSLBHNCSNHE-UHFFFAOYSA-N -1 3 358.361 2.974 20 30 FFEDHM Cc1ccc2c(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)coc2c1 ZINC000737371756 598921247 /nfs/dbraw/zinc/92/12/47/598921247.db2.gz KVYNSLBHNCSNHE-UHFFFAOYSA-N -1 3 358.361 2.974 20 30 FFEDHM CCCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821134224 607254458 /nfs/dbraw/zinc/25/44/58/607254458.db2.gz OXNWXFPHJXUNHB-UHFFFAOYSA-N -1 3 366.425 2.788 20 30 FFEDHM CCCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821134224 607254459 /nfs/dbraw/zinc/25/44/59/607254459.db2.gz OXNWXFPHJXUNHB-UHFFFAOYSA-N -1 3 366.425 2.788 20 30 FFEDHM CCCCCCCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000736448313 598981448 /nfs/dbraw/zinc/98/14/48/598981448.db2.gz LRRFGCROCUIQSQ-UHFFFAOYSA-N -1 3 359.478 2.825 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000737081238 599150937 /nfs/dbraw/zinc/15/09/37/599150937.db2.gz LXWJWBMFSFXHEX-DJWKRKHSSA-N -1 3 350.334 2.500 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000737081238 599150938 /nfs/dbraw/zinc/15/09/38/599150938.db2.gz LXWJWBMFSFXHEX-DJWKRKHSSA-N -1 3 350.334 2.500 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1F ZINC000737065419 599153023 /nfs/dbraw/zinc/15/30/23/599153023.db2.gz LOWCHXUSVAUDDE-UTCJRWHESA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1F ZINC000737065419 599153024 /nfs/dbraw/zinc/15/30/24/599153024.db2.gz LOWCHXUSVAUDDE-UTCJRWHESA-N -1 3 354.341 2.919 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000737716397 599194430 /nfs/dbraw/zinc/19/44/30/599194430.db2.gz QNRDMGZQFDISPL-DZGCQCFKSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000737716397 599194433 /nfs/dbraw/zinc/19/44/33/599194433.db2.gz QNRDMGZQFDISPL-DZGCQCFKSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccccc2OC(F)F)ccc1-c1nnn[n-]1 ZINC000737709250 599200773 /nfs/dbraw/zinc/20/07/73/599200773.db2.gz LZKAULHVRCKPBG-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccccc2OC(F)F)ccc1-c1nn[n-]n1 ZINC000737709250 599200775 /nfs/dbraw/zinc/20/07/75/599200775.db2.gz LZKAULHVRCKPBG-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819856393 607323246 /nfs/dbraw/zinc/32/32/46/607323246.db2.gz JWDZNXDVUCDLSM-ZDUSSCGKSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819856393 607323247 /nfs/dbraw/zinc/32/32/47/607323247.db2.gz JWDZNXDVUCDLSM-ZDUSSCGKSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@H](C#N)COC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819856392 607323266 /nfs/dbraw/zinc/32/32/66/607323266.db2.gz JWDZNXDVUCDLSM-CYBMUJFWSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@H](C#N)COC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819856392 607323267 /nfs/dbraw/zinc/32/32/67/607323267.db2.gz JWDZNXDVUCDLSM-CYBMUJFWSA-N -1 3 363.377 2.762 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735660414 598277346 /nfs/dbraw/zinc/27/73/46/598277346.db2.gz ABCIDLDVZZJXDV-UHFFFAOYSA-N -1 3 364.413 2.617 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735660414 598277347 /nfs/dbraw/zinc/27/73/47/598277347.db2.gz ABCIDLDVZZJXDV-UHFFFAOYSA-N -1 3 364.413 2.617 20 30 FFEDHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1F ZINC000736739020 598278917 /nfs/dbraw/zinc/27/89/17/598278917.db2.gz GXQPHFORPAYQDY-UHFFFAOYSA-N -1 3 368.397 2.633 20 30 FFEDHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1F ZINC000736739020 598278919 /nfs/dbraw/zinc/27/89/19/598278919.db2.gz GXQPHFORPAYQDY-UHFFFAOYSA-N -1 3 368.397 2.633 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1NC(C)=O ZINC000737066824 598315702 /nfs/dbraw/zinc/31/57/02/598315702.db2.gz WPANRIQJRLDDRV-WEVVVXLNSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000737066824 598315703 /nfs/dbraw/zinc/31/57/03/598315703.db2.gz WPANRIQJRLDDRV-WEVVVXLNSA-N -1 3 363.377 2.730 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736186438 598489753 /nfs/dbraw/zinc/48/97/53/598489753.db2.gz BXAVOFGURBKFQN-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736186438 598489754 /nfs/dbraw/zinc/48/97/54/598489754.db2.gz BXAVOFGURBKFQN-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000736820515 598624653 /nfs/dbraw/zinc/62/46/53/598624653.db2.gz OEMIJLDUYXCASV-UHFFFAOYSA-N -1 3 351.345 2.541 20 30 FFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000736820515 598624655 /nfs/dbraw/zinc/62/46/55/598624655.db2.gz OEMIJLDUYXCASV-UHFFFAOYSA-N -1 3 351.345 2.541 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115408 598632055 /nfs/dbraw/zinc/63/20/55/598632055.db2.gz IBQPCKVKNFHOBK-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115408 598632057 /nfs/dbraw/zinc/63/20/57/598632057.db2.gz IBQPCKVKNFHOBK-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736184578 598762150 /nfs/dbraw/zinc/76/21/50/598762150.db2.gz LXKQJPSHMZQJHO-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736184578 598762151 /nfs/dbraw/zinc/76/21/51/598762151.db2.gz LXKQJPSHMZQJHO-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000822136109 599387034 /nfs/dbraw/zinc/38/70/34/599387034.db2.gz JCDJNOFBMPKOLI-UHFFFAOYSA-N -1 3 373.376 2.984 20 30 FFEDHM C=CCOc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819758615 599387685 /nfs/dbraw/zinc/38/76/85/599387685.db2.gz BTCVGBGUWDYJPH-CYBMUJFWSA-N -1 3 365.393 2.838 20 30 FFEDHM C=CCOc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819758615 599387687 /nfs/dbraw/zinc/38/76/87/599387687.db2.gz BTCVGBGUWDYJPH-CYBMUJFWSA-N -1 3 365.393 2.838 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)c(F)c1 ZINC000737807717 599462215 /nfs/dbraw/zinc/46/22/15/599462215.db2.gz QGNBOQKXLHJLHO-HYXAFXHYSA-N -1 3 352.304 2.689 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)c(F)c1 ZINC000737807717 599462216 /nfs/dbraw/zinc/46/22/16/599462216.db2.gz QGNBOQKXLHJLHO-HYXAFXHYSA-N -1 3 352.304 2.689 20 30 FFEDHM Cn1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c2ccccc21 ZINC000737601820 599463671 /nfs/dbraw/zinc/46/36/71/599463671.db2.gz FHHFPDBSKOUPSC-FPLPWBNLSA-N -1 3 369.388 2.902 20 30 FFEDHM Cn1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c2ccccc21 ZINC000737601820 599463675 /nfs/dbraw/zinc/46/36/75/599463675.db2.gz FHHFPDBSKOUPSC-FPLPWBNLSA-N -1 3 369.388 2.902 20 30 FFEDHM C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334995 599536426 /nfs/dbraw/zinc/53/64/26/599536426.db2.gz SIGKTAMBOJIREL-GFCCVEGCSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334995 599536428 /nfs/dbraw/zinc/53/64/28/599536428.db2.gz SIGKTAMBOJIREL-GFCCVEGCSA-N -1 3 364.434 2.708 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(F)(F)F ZINC000819743691 599679662 /nfs/dbraw/zinc/67/96/62/599679662.db2.gz OMVUWHFGGGLBKG-UHFFFAOYSA-N -1 3 354.336 2.517 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(F)(F)F ZINC000819743691 599679663 /nfs/dbraw/zinc/67/96/63/599679663.db2.gz OMVUWHFGGGLBKG-UHFFFAOYSA-N -1 3 354.336 2.517 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820166622 607397168 /nfs/dbraw/zinc/39/71/68/607397168.db2.gz YHKYTLAFQICPGD-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820166622 607397169 /nfs/dbraw/zinc/39/71/69/607397169.db2.gz YHKYTLAFQICPGD-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM N#Cc1ccc([C@H](NCc2ccc(C(=O)N3CCCC3)cc2)C(=O)[O-])cc1 ZINC000739106132 600592564 /nfs/dbraw/zinc/59/25/64/600592564.db2.gz KTDYPPNFDOYUTN-IBGZPJMESA-N -1 3 363.417 2.710 20 30 FFEDHM N#Cc1ccc([C@@H](NCc2ccc(N3CCCCC3)nc2)C(=O)[O-])cc1 ZINC000739107667 600594074 /nfs/dbraw/zinc/59/40/74/600594074.db2.gz SIMWJJTVWPKBTN-LJQANCHMSA-N -1 3 350.422 2.859 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(C#N)c2n1CCC2 ZINC000822015992 607459967 /nfs/dbraw/zinc/45/99/67/607459967.db2.gz RTSKHXFCIPKRGK-VOTSOKGWSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(C#N)c2n1CCC2 ZINC000822015992 607459970 /nfs/dbraw/zinc/45/99/70/607459970.db2.gz RTSKHXFCIPKRGK-VOTSOKGWSA-N -1 3 362.368 2.830 20 30 FFEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000822740645 607463968 /nfs/dbraw/zinc/46/39/68/607463968.db2.gz MEBYUXIDWYEGFF-UHFFFAOYSA-N -1 3 351.267 2.866 20 30 FFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000822740645 607463969 /nfs/dbraw/zinc/46/39/69/607463969.db2.gz MEBYUXIDWYEGFF-UHFFFAOYSA-N -1 3 351.267 2.866 20 30 FFEDHM CC(C)(C)c1nc(C#N)c(N=NCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000819966082 607464192 /nfs/dbraw/zinc/46/41/92/607464192.db2.gz VWZQBBBVCKECOT-UHFFFAOYSA-N -1 3 354.349 2.609 20 30 FFEDHM CC(C)(C)c1nc(C#N)c(N=NCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000819966082 607464194 /nfs/dbraw/zinc/46/41/94/607464194.db2.gz VWZQBBBVCKECOT-UHFFFAOYSA-N -1 3 354.349 2.609 20 30 FFEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000826044295 601202343 /nfs/dbraw/zinc/20/23/43/601202343.db2.gz DTTYOLYWCQSNGN-YJBOKZPZSA-N -1 3 357.454 2.723 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826384310 607523464 /nfs/dbraw/zinc/52/34/64/607523464.db2.gz QAGBACNJUBFIKG-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826384310 607523466 /nfs/dbraw/zinc/52/34/66/607523466.db2.gz QAGBACNJUBFIKG-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000826244562 607686200 /nfs/dbraw/zinc/68/62/00/607686200.db2.gz XANIHSVOXOHPNA-UHFFFAOYSA-N -1 3 350.357 2.875 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000826244562 607686202 /nfs/dbraw/zinc/68/62/02/607686202.db2.gz XANIHSVOXOHPNA-UHFFFAOYSA-N -1 3 350.357 2.875 20 30 FFEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000833418824 604929002 /nfs/dbraw/zinc/92/90/02/604929002.db2.gz BKITWJOHHQXDKK-OAHLLOKOSA-N -1 3 354.410 2.931 20 30 FFEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000833412786 605180103 /nfs/dbraw/zinc/18/01/03/605180103.db2.gz LLEGVGQHIYAHTM-SFHVURJKSA-N -1 3 351.406 2.938 20 30 FFEDHM C=CCN(CC=C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823903659 607765914 /nfs/dbraw/zinc/76/59/14/607765914.db2.gz GSFPIFZYVZPSTR-UHFFFAOYSA-N -1 3 371.401 2.641 20 30 FFEDHM C=CCN(CC=C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823903659 607765915 /nfs/dbraw/zinc/76/59/15/607765915.db2.gz GSFPIFZYVZPSTR-UHFFFAOYSA-N -1 3 371.401 2.641 20 30 FFEDHM C=CC[C@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823888017 607766578 /nfs/dbraw/zinc/76/65/78/607766578.db2.gz CVLNBKYCQYPBPF-JTQLQIEISA-N -1 3 359.390 2.521 20 30 FFEDHM C=CC[C@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823888017 607766579 /nfs/dbraw/zinc/76/65/79/607766579.db2.gz CVLNBKYCQYPBPF-JTQLQIEISA-N -1 3 359.390 2.521 20 30 FFEDHM C#CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C1CCCCC1 ZINC000819697351 606108717 /nfs/dbraw/zinc/10/87/17/606108717.db2.gz BHXOVTSBYRSHMA-UHFFFAOYSA-N -1 3 372.498 2.751 20 30 FFEDHM C#CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C1CCCCC1 ZINC000819697351 606108718 /nfs/dbraw/zinc/10/87/18/606108718.db2.gz BHXOVTSBYRSHMA-UHFFFAOYSA-N -1 3 372.498 2.751 20 30 FFEDHM N#Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000822825495 606222189 /nfs/dbraw/zinc/22/21/89/606222189.db2.gz HWXGJZULUADBIN-UHFFFAOYSA-N -1 3 361.796 2.974 20 30 FFEDHM N#Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1 ZINC000822825495 606222190 /nfs/dbraw/zinc/22/21/90/606222190.db2.gz HWXGJZULUADBIN-UHFFFAOYSA-N -1 3 361.796 2.974 20 30 FFEDHM C=CCOc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819759083 606303033 /nfs/dbraw/zinc/30/30/33/606303033.db2.gz OFSGBEJSHHICNK-QGZVFWFLSA-N -1 3 365.393 2.758 20 30 FFEDHM C=CCOc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819759083 606303035 /nfs/dbraw/zinc/30/30/35/606303035.db2.gz OFSGBEJSHHICNK-QGZVFWFLSA-N -1 3 365.393 2.758 20 30 FFEDHM CCN(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000821165026 606307205 /nfs/dbraw/zinc/30/72/05/606307205.db2.gz NGGOHKLMIHRQMK-MDZDMXLPSA-N -1 3 373.420 2.867 20 30 FFEDHM CCN(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000821165026 606307206 /nfs/dbraw/zinc/30/72/06/606307206.db2.gz NGGOHKLMIHRQMK-MDZDMXLPSA-N -1 3 373.420 2.867 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822801824 606445387 /nfs/dbraw/zinc/44/53/87/606445387.db2.gz PDUDOTYNFAMRRH-OALUTQOASA-N -1 3 372.432 2.708 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822801824 606445389 /nfs/dbraw/zinc/44/53/89/606445389.db2.gz PDUDOTYNFAMRRH-OALUTQOASA-N -1 3 372.432 2.708 20 30 FFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)s1 ZINC000821104676 606504965 /nfs/dbraw/zinc/50/49/65/606504965.db2.gz MKRHCJWTVIEWHB-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)s1 ZINC000821104676 606504966 /nfs/dbraw/zinc/50/49/66/606504966.db2.gz MKRHCJWTVIEWHB-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM N#Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000822825376 606557801 /nfs/dbraw/zinc/55/78/01/606557801.db2.gz CNRJIACGDOEYCK-UHFFFAOYSA-N -1 3 371.303 2.697 20 30 FFEDHM N#Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000822825376 606557802 /nfs/dbraw/zinc/55/78/02/606557802.db2.gz CNRJIACGDOEYCK-UHFFFAOYSA-N -1 3 371.303 2.697 20 30 FFEDHM CCN(CCC#N)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821207711 606584448 /nfs/dbraw/zinc/58/44/48/606584448.db2.gz SIWXMGCTKBLXFK-UHFFFAOYSA-N -1 3 363.425 2.650 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC#Cc2ccc(Cl)cc2)nc1N ZINC000822819039 606638130 /nfs/dbraw/zinc/63/81/30/606638130.db2.gz JQHABSPTTXORQV-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC#Cc2ccc(Cl)cc2)nc1N ZINC000822819039 606638131 /nfs/dbraw/zinc/63/81/31/606638131.db2.gz JQHABSPTTXORQV-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819758744 606678783 /nfs/dbraw/zinc/67/87/83/606678783.db2.gz GPVVVYPISSGEGS-UHFFFAOYSA-N -1 3 371.347 2.640 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819758744 606678784 /nfs/dbraw/zinc/67/87/84/606678784.db2.gz GPVVVYPISSGEGS-UHFFFAOYSA-N -1 3 371.347 2.640 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000821787132 606763383 /nfs/dbraw/zinc/76/33/83/606763383.db2.gz OOUSYGVTAUNZEZ-SOFGYWHQSA-N -1 3 365.349 2.988 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000821787132 606763385 /nfs/dbraw/zinc/76/33/85/606763385.db2.gz OOUSYGVTAUNZEZ-SOFGYWHQSA-N -1 3 365.349 2.988 20 30 FFEDHM NC(=NOCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000822846377 606837926 /nfs/dbraw/zinc/83/79/26/606837926.db2.gz YZBFCBIGHVDUQP-UHFFFAOYSA-N -1 3 372.816 2.626 20 30 FFEDHM NC(=NOCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000822846377 606837928 /nfs/dbraw/zinc/83/79/28/606837928.db2.gz YZBFCBIGHVDUQP-UHFFFAOYSA-N -1 3 372.816 2.626 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@]1(C)CCCS1 ZINC000819742854 606986264 /nfs/dbraw/zinc/98/62/64/606986264.db2.gz AVDVYBKLBFIXOE-GOSISDBHSA-N -1 3 372.498 2.850 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@]1(C)CCCS1 ZINC000819742854 606986265 /nfs/dbraw/zinc/98/62/65/606986265.db2.gz AVDVYBKLBFIXOE-GOSISDBHSA-N -1 3 372.498 2.850 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000820577656 607023175 /nfs/dbraw/zinc/02/31/75/607023175.db2.gz SUUMUMPOCIODIK-TWGQIWQCSA-N -1 3 359.389 2.993 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000820577656 607023177 /nfs/dbraw/zinc/02/31/77/607023177.db2.gz SUUMUMPOCIODIK-TWGQIWQCSA-N -1 3 359.389 2.993 20 30 FFEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(F)ccc1C#N ZINC000821690644 607060716 /nfs/dbraw/zinc/06/07/16/607060716.db2.gz SWVLBGSEMDGCAW-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(F)ccc1C#N ZINC000821690644 607060717 /nfs/dbraw/zinc/06/07/17/607060717.db2.gz SWVLBGSEMDGCAW-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825492569 607782204 /nfs/dbraw/zinc/78/22/04/607782204.db2.gz GTXMSUZYXDBZCW-NSHDSACASA-N -1 3 364.356 2.633 20 30 FFEDHM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825492569 607782205 /nfs/dbraw/zinc/78/22/05/607782205.db2.gz GTXMSUZYXDBZCW-NSHDSACASA-N -1 3 364.356 2.633 20 30 FFEDHM N#Cc1ccc([C@@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)C(N)=O)cc1 ZINC000826384813 607844188 /nfs/dbraw/zinc/84/41/88/607844188.db2.gz KOOQZTKDZZKIGS-CQSZACIVSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1ccc([C@@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)C(N)=O)cc1 ZINC000826384813 607844189 /nfs/dbraw/zinc/84/41/89/607844189.db2.gz KOOQZTKDZZKIGS-CQSZACIVSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1cccc(Cl)c1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826386800 608052478 /nfs/dbraw/zinc/05/24/78/608052478.db2.gz SYNPRTVHBBRTSN-MRXNPFEDSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc(Cl)c1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826386800 608052479 /nfs/dbraw/zinc/05/24/79/608052479.db2.gz SYNPRTVHBBRTSN-MRXNPFEDSA-N -1 3 366.812 2.970 20 30 FFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000823862123 608184741 /nfs/dbraw/zinc/18/47/41/608184741.db2.gz XRXJKFXFAQSPAK-LLVKDONJSA-N -1 3 354.391 2.858 20 30 FFEDHM CSc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1F ZINC000826229999 608307813 /nfs/dbraw/zinc/30/78/13/608307813.db2.gz ZLFVZWZGZWETIH-UHFFFAOYSA-N -1 3 354.370 2.852 20 30 FFEDHM CSc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1F ZINC000826229999 608307815 /nfs/dbraw/zinc/30/78/15/608307815.db2.gz ZLFVZWZGZWETIH-UHFFFAOYSA-N -1 3 354.370 2.852 20 30 FFEDHM N#Cc1cccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1F ZINC000826386433 608452089 /nfs/dbraw/zinc/45/20/89/608452089.db2.gz DKKXLWABZACODN-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1F ZINC000826386433 608452091 /nfs/dbraw/zinc/45/20/91/608452091.db2.gz DKKXLWABZACODN-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc([N+](=O)[O-])cc1 ZINC000823958641 608535467 /nfs/dbraw/zinc/53/54/67/608535467.db2.gz ULPCDYUECXWXOX-UHFFFAOYSA-N -1 3 358.749 2.659 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc([N+](=O)[O-])cc1 ZINC000823958641 608535469 /nfs/dbraw/zinc/53/54/69/608535469.db2.gz ULPCDYUECXWXOX-UHFFFAOYSA-N -1 3 358.749 2.659 20 30 FFEDHM C=CCN(Cc1ncc(COC)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914151 608581824 /nfs/dbraw/zinc/58/18/24/608581824.db2.gz BPBCXFYDATWHIQ-UHFFFAOYSA-N -1 3 356.455 2.658 20 30 FFEDHM C=CCN(Cc1ncc(COC)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914151 608581826 /nfs/dbraw/zinc/58/18/26/608581826.db2.gz BPBCXFYDATWHIQ-UHFFFAOYSA-N -1 3 356.455 2.658 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(C#N)c(F)c1 ZINC000823953620 609160392 /nfs/dbraw/zinc/16/03/92/609160392.db2.gz IZEKBAIAPVEIOJ-UHFFFAOYSA-N -1 3 356.752 2.762 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(C#N)c(F)c1 ZINC000823953620 609160393 /nfs/dbraw/zinc/16/03/93/609160393.db2.gz IZEKBAIAPVEIOJ-UHFFFAOYSA-N -1 3 356.752 2.762 20 30 FFEDHM N#Cc1cc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c[nH]1 ZINC000826383616 609231950 /nfs/dbraw/zinc/23/19/50/609231950.db2.gz IXRXTLPZAUYNKI-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM N#Cc1cc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c[nH]1 ZINC000826383616 609231951 /nfs/dbraw/zinc/23/19/51/609231951.db2.gz IXRXTLPZAUYNKI-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM C=CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823888726 609241693 /nfs/dbraw/zinc/24/16/93/609241693.db2.gz UXYOEFYEPYLSNV-ZIAGYGMSSA-N -1 3 356.474 2.840 20 30 FFEDHM C=CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823888726 609241695 /nfs/dbraw/zinc/24/16/95/609241695.db2.gz UXYOEFYEPYLSNV-ZIAGYGMSSA-N -1 3 356.474 2.840 20 30 FFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823999829 609271301 /nfs/dbraw/zinc/27/13/01/609271301.db2.gz IZYRMDRIUGUXBL-RUDMXATFSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823999829 609271303 /nfs/dbraw/zinc/27/13/03/609271303.db2.gz IZYRMDRIUGUXBL-RUDMXATFSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823953604 609447394 /nfs/dbraw/zinc/44/73/94/609447394.db2.gz IQWMILOEOHROBZ-UHFFFAOYSA-N -1 3 371.788 2.942 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823953604 609447396 /nfs/dbraw/zinc/44/73/96/609447396.db2.gz IQWMILOEOHROBZ-UHFFFAOYSA-N -1 3 371.788 2.942 20 30 FFEDHM Clc1cc(NN=Cc2ccc3c(c2)OCCO3)ccc1-c1nnn[n-]1 ZINC000826351377 609471623 /nfs/dbraw/zinc/47/16/23/609471623.db2.gz KGTDLESLPRHARC-UHFFFAOYSA-N -1 3 356.773 2.737 20 30 FFEDHM Clc1cc(NN=Cc2ccc3c(c2)OCCO3)ccc1-c1nn[n-]n1 ZINC000826351377 609471624 /nfs/dbraw/zinc/47/16/24/609471624.db2.gz KGTDLESLPRHARC-UHFFFAOYSA-N -1 3 356.773 2.737 20 30 FFEDHM CC(C)(C)OC(=O)N1CC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824104017 609474632 /nfs/dbraw/zinc/47/46/32/609474632.db2.gz MRQLHDQAXPNHDL-UHFFFAOYSA-N -1 3 363.809 2.539 20 30 FFEDHM CC(C)(C)OC(=O)N1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824104017 609474633 /nfs/dbraw/zinc/47/46/33/609474633.db2.gz MRQLHDQAXPNHDL-UHFFFAOYSA-N -1 3 363.809 2.539 20 30 FFEDHM N#CCOc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826381939 609474772 /nfs/dbraw/zinc/47/47/72/609474772.db2.gz HCURTSUZJGTIGF-UHFFFAOYSA-N -1 3 353.773 2.868 20 30 FFEDHM N#CCOc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826381939 609474775 /nfs/dbraw/zinc/47/47/75/609474775.db2.gz HCURTSUZJGTIGF-UHFFFAOYSA-N -1 3 353.773 2.868 20 30 FFEDHM FC(F)(F)Cn1ccnc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826367471 609474852 /nfs/dbraw/zinc/47/48/52/609474852.db2.gz AHZSXQHYGDGROO-UHFFFAOYSA-N -1 3 370.726 2.725 20 30 FFEDHM FC(F)(F)Cn1ccnc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826367471 609474854 /nfs/dbraw/zinc/47/48/54/609474854.db2.gz AHZSXQHYGDGROO-UHFFFAOYSA-N -1 3 370.726 2.725 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826162412 609485850 /nfs/dbraw/zinc/48/58/50/609485850.db2.gz AVKJIKTWZRLKCL-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826162412 609485852 /nfs/dbraw/zinc/48/58/52/609485852.db2.gz AVKJIKTWZRLKCL-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000080386910 728326871 /nfs/dbraw/zinc/32/68/71/728326871.db2.gz DKQCFISLDCPWJM-CYBMUJFWSA-N -1 3 356.419 2.607 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C#N ZINC000131330933 728722051 /nfs/dbraw/zinc/72/20/51/728722051.db2.gz TYZVUQMNYUOLHV-LLVKDONJSA-N -1 3 370.446 2.998 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCSCC)ccc1F ZINC000173297775 729043636 /nfs/dbraw/zinc/04/36/36/729043636.db2.gz OGGHLVQVCFWMKD-GFCCVEGCSA-N -1 3 374.503 2.552 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C)ccc1F ZINC000195658182 729541059 /nfs/dbraw/zinc/54/10/59/729541059.db2.gz CCHWLHITGGMIRA-ZFWWWQNUSA-N -1 3 368.474 2.846 20 30 FFEDHM C=CC[C@H](C)OC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000860905266 730558090 /nfs/dbraw/zinc/55/80/90/730558090.db2.gz LEFQWCFSVXILMM-ZFWWWQNUSA-N -1 3 364.467 2.792 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1cccc(C#N)c1 ZINC000881956266 733142645 /nfs/dbraw/zinc/14/26/45/733142645.db2.gz IAJJERKYKXGFLY-JCQPUDPBSA-N -1 3 369.512 2.884 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OCC ZINC000882644626 733264138 /nfs/dbraw/zinc/26/41/38/733264138.db2.gz LYUOVAJMSPUGDW-INIZCTEOSA-N -1 3 362.451 2.552 20 30 FFEDHM C[C@@]1(c2ccc(CN=Cc3cc(Cl)ccc3[O-])cc2)NC(=O)NC1=O ZINC000726119305 734408243 /nfs/dbraw/zinc/40/82/43/734408243.db2.gz XHIUIEOPHZZOCT-HGMDMCOWSA-N -1 3 357.797 2.719 20 30 FFEDHM CCCCCCCCCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000891491811 734436480 /nfs/dbraw/zinc/43/64/80/734436480.db2.gz BHGAPKRIDIUJQU-UHFFFAOYSA-N -1 3 365.499 2.592 20 30 FFEDHM Cn1cc(N2CCC[C@H](/N=C\c3cc(Br)ccc3[O-])C2)cn1 ZINC000741464868 735144659 /nfs/dbraw/zinc/14/46/59/735144659.db2.gz QYYDZMQHKNFWPA-RQRKTLAASA-N -1 3 363.259 2.976 20 30 FFEDHM C#CC[C@@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)C1CC1 ZINC000750781372 735815079 /nfs/dbraw/zinc/81/50/79/735815079.db2.gz UXUJZFAZZGWAHQ-QGZVFWFLSA-N -1 3 365.451 2.561 20 30 FFEDHM O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)N([O-])Cc1ccccc1Cl ZINC000904192249 736232292 /nfs/dbraw/zinc/23/22/92/736232292.db2.gz FQYLBGRJRFNNGY-DZGCQCFKSA-N -1 3 355.818 2.759 20 30 FFEDHM CCc1nc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cs1 ZINC000755543926 736260676 /nfs/dbraw/zinc/26/06/76/736260676.db2.gz VORBCOASHXNAAT-ZDUSSCGKSA-N -1 3 373.463 2.980 20 30 FFEDHM O=[N+]([O-])c1cccnc1N=NCc1cc(O)cc(Br)c1[O-] ZINC000755767630 736277192 /nfs/dbraw/zinc/27/71/92/736277192.db2.gz CCMJEOLIBDWKSM-UHFFFAOYSA-N -1 3 353.132 2.610 20 30 FFEDHM CCOC(=O)c1sc([C@@H](C)/N=C/c2c(CO)cnc(C)c2[O-])nc1C ZINC000756776265 736360784 /nfs/dbraw/zinc/36/07/84/736360784.db2.gz UVLMRXMPNNBWKV-FQDFOOGXSA-N -1 3 363.439 2.710 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908995723 736869359 /nfs/dbraw/zinc/86/93/59/736869359.db2.gz BQUGIKJXAZKGOF-JKSUJKDBSA-N -1 3 365.861 2.546 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000910272858 737051303 /nfs/dbraw/zinc/05/13/03/737051303.db2.gz XKYDIKOVDVHCSN-INIZCTEOSA-N -1 3 350.846 2.998 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CCNc2ccc(C(F)(F)F)cn2)c1[O-] ZINC000914701329 737589949 /nfs/dbraw/zinc/58/99/49/737589949.db2.gz GIUDUMQQQBATLZ-ZBKNUEDVSA-N -1 3 354.332 2.533 20 30 FFEDHM C=C(CC)COC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773456935 737908556 /nfs/dbraw/zinc/90/85/56/737908556.db2.gz QGIMTJYCMVHOQU-OAHLLOKOSA-N -1 3 364.467 2.793 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2ccccc2C(F)(F)F)c1[O-] ZINC000920990730 737938334 /nfs/dbraw/zinc/93/83/34/737938334.db2.gz AUFJWCRGMNLNQD-CROWGAHTSA-N -1 3 354.328 2.759 20 30 FFEDHM N#CCc1ccc(CS(=O)(=O)[N-][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000921317962 737959932 /nfs/dbraw/zinc/95/99/32/737959932.db2.gz MKPUJXJNSHSBPV-AEFFLSMTSA-N -1 3 360.410 2.644 20 30 FFEDHM C=C[C@H](CC)OC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000776105320 738161720 /nfs/dbraw/zinc/16/17/20/738161720.db2.gz QEAAUAIYFKMREK-UKRRQHHQSA-N -1 3 364.467 2.792 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1(C)CC1 ZINC000790807329 739497908 /nfs/dbraw/zinc/49/79/08/739497908.db2.gz HZDRZMRKKXORQF-CQSZACIVSA-N -1 3 364.467 2.627 20 30 FFEDHM CN(C)S(=O)(=O)c1ccccc1NN=Cc1cc(Cl)ccc1[O-] ZINC000793190934 739750235 /nfs/dbraw/zinc/75/02/35/739750235.db2.gz HOVGJTYQUSLRQU-UHFFFAOYSA-N -1 3 353.831 2.742 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(Cl)cc1F ZINC000796085410 740099421 /nfs/dbraw/zinc/09/94/21/740099421.db2.gz DZVCHFRTQVPNCH-GFCCVEGCSA-N -1 3 371.773 2.512 20 30 FFEDHM C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000971374162 740776351 /nfs/dbraw/zinc/77/63/51/740776351.db2.gz SZWJGWRQAJSOMB-UKRRQHHQSA-N -1 3 362.857 2.844 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCC3)CC2)ccc1F ZINC000803557500 740810728 /nfs/dbraw/zinc/81/07/28/740810728.db2.gz PWJTYBSAVWUZIC-UHFFFAOYSA-N -1 3 366.458 2.696 20 30 FFEDHM C=C(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)c1ccccc1 ZINC000805123440 740941787 /nfs/dbraw/zinc/94/17/87/740941787.db2.gz NTOSWJCQSBAUED-UHFFFAOYSA-N -1 3 367.373 2.743 20 30 FFEDHM O=C([N-][C@H]1CCCC1(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000807521302 741138952 /nfs/dbraw/zinc/13/89/52/741138952.db2.gz DDFGWVMPSAGZAE-BYPYZUCNSA-N -1 3 358.213 2.625 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000811187095 741492165 /nfs/dbraw/zinc/49/21/65/741492165.db2.gz JNSDQZMLNOAYDV-UHFFFAOYSA-N -1 3 354.753 2.855 20 30 FFEDHM Cc1cc(=O)[n-]c(NNC=C(CC(F)(F)F)NC(=O)OC(C)(C)C)n1 ZINC000814681274 741857258 /nfs/dbraw/zinc/85/72/58/741857258.db2.gz DYTWPJGDKSWKOL-VIFPVBQESA-N -1 3 363.340 2.734 20 30 FFEDHM Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CCN([O-])C2=O)cc1C ZINC000816692563 742053602 /nfs/dbraw/zinc/05/36/02/742053602.db2.gz QOIPMTIMBIMIIS-OAHLLOKOSA-N -1 3 357.435 2.570 20 30 FFEDHM O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000816760395 742059286 /nfs/dbraw/zinc/05/92/86/742059286.db2.gz PNVWSHUSCWPTKX-JATZPVMKSA-N -1 3 362.735 2.782 20 30 FFEDHM COc1cccc(S([O-])=CC(=O)OC[C@@H](C#N)Cc2cccs2)c1 ZINC000820447382 742506994 /nfs/dbraw/zinc/50/69/94/742506994.db2.gz WUDLDFOVBLZWBT-YEBMWUKDSA-N -1 3 363.460 2.790 20 30 FFEDHM N#Cc1c(Cl)cccc1S[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826382961 743383257 /nfs/dbraw/zinc/38/32/57/743383257.db2.gz COVYSGSAVMVCJN-CQSZACIVSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1c(Cl)cccc1S[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826382961 743383264 /nfs/dbraw/zinc/38/32/64/743383264.db2.gz COVYSGSAVMVCJN-CQSZACIVSA-N -1 3 370.825 2.710 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2=CCCCC2)ccc1F ZINC000833789898 745795332 /nfs/dbraw/zinc/79/53/32/745795332.db2.gz FIDDLVOTIJYXLX-UHFFFAOYSA-N -1 3 352.431 2.520 20 30 FFEDHM COc1ccc(CC/N=C\c2c([O-])c(C)ncc2CO)c(Cl)c1OC ZINC000840704513 747162628 /nfs/dbraw/zinc/16/26/28/747162628.db2.gz BFKBVMKKWUYDGI-UKWGHVSLSA-N -1 3 364.829 2.920 20 30 FFEDHM COc1cc(/C=C2/S/C(=N/C3CC3)NC2=O)cc(Br)c1[O-] ZINC000849251298 749077824 /nfs/dbraw/zinc/07/78/24/749077824.db2.gz CNCJGWSXNUTPCY-IZZDOVSWSA-N -1 3 369.240 2.886 20 30 FFEDHM C[C@H](CC(=O)OCCCC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000849735859 749215938 /nfs/dbraw/zinc/21/59/38/749215938.db2.gz NMQYPKZEJDCTSW-CYBMUJFWSA-N -1 3 364.467 2.627 20 30 FFEDHM C#C[C@](C)(CC)N[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000852100182 749773681 /nfs/dbraw/zinc/77/36/81/749773681.db2.gz FXXFFBRIBOMNEG-ADLMAVQZSA-N -1 3 361.467 2.922 20 30 FFEDHM CC(C)(C#N)CCOC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824058822 946572192 /nfs/dbraw/zinc/57/21/92/946572192.db2.gz DEXZFFVRSCLABV-UHFFFAOYSA-N -1 3 357.414 2.899 20 30 FFEDHM CC(C)(C#N)CCOC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824058822 946572200 /nfs/dbraw/zinc/57/22/00/946572200.db2.gz DEXZFFVRSCLABV-UHFFFAOYSA-N -1 3 357.414 2.899 20 30 FFEDHM C#CCCCCC(=O)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573284317 946742999 /nfs/dbraw/zinc/74/29/99/946742999.db2.gz YUSWBDAINSYZDF-UHFFFAOYSA-N -1 3 370.432 2.602 20 30 FFEDHM C#CCCCCC(=O)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573284317 946743003 /nfs/dbraw/zinc/74/30/03/946743003.db2.gz YUSWBDAINSYZDF-UHFFFAOYSA-N -1 3 370.432 2.602 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(OC)c(-c3nnn[n-]3)cc2F)c1 ZINC001573289643 946888173 /nfs/dbraw/zinc/88/81/73/946888173.db2.gz AJLHELJZRXBFAK-UHFFFAOYSA-N -1 3 366.356 2.664 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(OC)c(-c3nn[n-]n3)cc2F)c1 ZINC001573289643 946888195 /nfs/dbraw/zinc/88/81/95/946888195.db2.gz AJLHELJZRXBFAK-UHFFFAOYSA-N -1 3 366.356 2.664 20 30 FFEDHM C#CCOc1ccc(C(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC001573290571 946907459 /nfs/dbraw/zinc/90/74/59/946907459.db2.gz ZQBYIUUZSYCLJJ-UHFFFAOYSA-N -1 3 373.416 2.688 20 30 FFEDHM C#CCOc1ccc(C(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC001573290571 946907464 /nfs/dbraw/zinc/90/74/64/946907464.db2.gz ZQBYIUUZSYCLJJ-UHFFFAOYSA-N -1 3 373.416 2.688 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573299560 947096895 /nfs/dbraw/zinc/09/68/95/947096895.db2.gz FSGVGIRISKLAJJ-ZDUSSCGKSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573299560 947096909 /nfs/dbraw/zinc/09/69/09/947096909.db2.gz FSGVGIRISKLAJJ-ZDUSSCGKSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001573326765 947377829 /nfs/dbraw/zinc/37/78/29/947377829.db2.gz UGHXHZYASTYBMH-CQSZACIVSA-N -1 3 368.466 2.915 20 30 FFEDHM C=CCCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573329786 947424661 /nfs/dbraw/zinc/42/46/61/947424661.db2.gz PHMWDFWVPLZPTM-HNNXBMFYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573329786 947424667 /nfs/dbraw/zinc/42/46/67/947424667.db2.gz PHMWDFWVPLZPTM-HNNXBMFYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1 ZINC001573335716 947487535 /nfs/dbraw/zinc/48/75/35/947487535.db2.gz CONHNQIDSLPVCG-SECBINFHSA-N -1 3 371.319 2.685 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403102 948225782 /nfs/dbraw/zinc/22/57/82/948225782.db2.gz JVNVPZHZMZARHT-ARJAWSKDSA-N -1 3 366.278 2.661 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403102 948225790 /nfs/dbraw/zinc/22/57/90/948225790.db2.gz JVNVPZHZMZARHT-ARJAWSKDSA-N -1 3 366.278 2.661 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475651 948377822 /nfs/dbraw/zinc/37/78/22/948377822.db2.gz MJYKWPAJYOVREO-LREOWRDNSA-N -1 3 373.325 2.634 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475651 948377831 /nfs/dbraw/zinc/37/78/31/948377831.db2.gz MJYKWPAJYOVREO-LREOWRDNSA-N -1 3 373.325 2.634 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1F ZINC000029061279 967688688 /nfs/dbraw/zinc/68/86/88/967688688.db2.gz SECWJOIINWTMLJ-UHFFFAOYSA-N -1 3 373.409 2.608 20 30 FFEDHM N#Cc1ccc([C@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)CCO2)cc1 ZINC000893114145 970612403 /nfs/dbraw/zinc/61/24/03/970612403.db2.gz RZLVXCAJQDNQEY-GOSISDBHSA-N -1 3 355.369 2.686 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccc(C)cc1 ZINC000125533354 974735584 /nfs/dbraw/zinc/73/55/84/974735584.db2.gz XGVRNMFKCDUEBT-KRWDZBQOSA-N -1 3 359.389 2.845 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnn(-c2cccc(Cl)c2)c1 ZINC000126335268 1014475660 /nfs/dbraw/zinc/47/56/60/1014475660.db2.gz WFTDOYDZYQWFDI-OAHLLOKOSA-N -1 3 365.780 2.882 20 30 FFEDHM C=CCN1CC[C@]2(CCN(C(=O)c3cc(C(C)(C)C)ccc3[O-])C2)C1=O ZINC001271971026 979378110 /nfs/dbraw/zinc/37/81/10/979378110.db2.gz QTABVERXTAWUSA-OAQYLSRUSA-N -1 3 356.466 2.940 20 30 FFEDHM COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001088471426 979757879 /nfs/dbraw/zinc/75/78/79/979757879.db2.gz LJLRRMKNQUGMPZ-KDOFPFPSSA-N -1 3 365.433 2.665 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000128899589 980152198 /nfs/dbraw/zinc/15/21/98/980152198.db2.gz ZZUKIVMLYITWOS-AWEZNQCLSA-N -1 3 353.334 2.955 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000986616285 980236665 /nfs/dbraw/zinc/23/66/65/980236665.db2.gz XIJGNJOTXNVXQR-XFQAVAEZSA-N -1 3 356.466 2.915 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c(C#N)c1 ZINC001211939208 981226008 /nfs/dbraw/zinc/22/60/08/981226008.db2.gz AHWRDRJMGSUWCG-LLVKDONJSA-N -1 3 361.370 2.905 20 30 FFEDHM C=CCN1CCC(NC(=O)N(CC(=O)[O-])[C@@H](CC)c2ccccc2)CC1 ZINC000908946193 981575040 /nfs/dbraw/zinc/57/50/40/981575040.db2.gz OYMFIJNPNIRSGO-SFHVURJKSA-N -1 3 359.470 2.884 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC000911856075 983913406 /nfs/dbraw/zinc/91/34/06/983913406.db2.gz TYHTZCSKRJOGKL-KEDPEKRHSA-N -1 3 369.421 2.718 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(Br)cc2nc[nH]c21 ZINC001152134142 1032109229 /nfs/dbraw/zinc/10/92/29/1032109229.db2.gz KGNZULAXICNEFR-UHFFFAOYSA-N -1 3 374.198 2.765 20 30 FFEDHM C=CCn1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)nn1 ZINC001128032530 986078335 /nfs/dbraw/zinc/07/83/35/986078335.db2.gz DBKYHEAVFKCEJS-UHFFFAOYSA-N -1 3 352.379 2.981 20 30 FFEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccc(C2CCC2)cc1 ZINC000785450591 986837201 /nfs/dbraw/zinc/83/72/01/986837201.db2.gz FFTCCGCRCJQINJ-UHFFFAOYSA-N -1 3 369.446 2.631 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000672218862 987270622 /nfs/dbraw/zinc/27/06/22/987270622.db2.gz GZSBDTHHBBTHLN-UHFFFAOYSA-N -1 3 358.394 2.654 20 30 FFEDHM Cc1nsc([N-]C(=O)c2c(Cl)cccc2S(C)(=O)=O)c1C#N ZINC001128319713 987620957 /nfs/dbraw/zinc/62/09/57/987620957.db2.gz NIKAUFCMKFRYTP-UHFFFAOYSA-N -1 3 355.828 2.632 20 30 FFEDHM COc1ccc(-c2csc3ncnc([N-]N=C4CCN(C)C4=O)c23)cc1 ZINC000761766684 987792414 /nfs/dbraw/zinc/79/24/14/987792414.db2.gz JSTIRVYSTINQGH-UHFFFAOYSA-N -1 3 367.434 2.997 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000922286093 988325332 /nfs/dbraw/zinc/32/53/32/988325332.db2.gz UCLIPXFVEDPSQV-SMDDNHRTSA-N -1 3 372.343 2.861 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920110590 990795386 /nfs/dbraw/zinc/79/53/86/990795386.db2.gz SHIILXINRYSIPH-LBPRGKRZSA-N -1 3 365.345 2.893 20 30 FFEDHM CN(Cc1ccc(C#N)cc1OC(F)F)[C@H](COC1CCC1)C(=O)[O-] ZINC001598509147 992545994 /nfs/dbraw/zinc/54/59/94/992545994.db2.gz DQTDTWSTBLTWBV-CQSZACIVSA-N -1 3 354.353 2.614 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808459950 994125091 /nfs/dbraw/zinc/12/50/91/994125091.db2.gz IYDFTFQZLLXDAM-UHFFFAOYSA-N -1 3 351.362 2.517 20 30 FFEDHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)n[n-]c21 ZINC000808676302 994220856 /nfs/dbraw/zinc/22/08/56/994220856.db2.gz KNNJAJGCSLOXQY-LLVKDONJSA-N -1 3 364.361 2.627 20 30 FFEDHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000808676302 994220868 /nfs/dbraw/zinc/22/08/68/994220868.db2.gz KNNJAJGCSLOXQY-LLVKDONJSA-N -1 3 364.361 2.627 20 30 FFEDHM COc1cc(/C=C/C(=O)Nc2ccc([O-])c(C#N)c2)cc(OC)c1OC ZINC001143768909 997646987 /nfs/dbraw/zinc/64/69/87/997646987.db2.gz ABGNNPMHLYZVDC-QPJJXVBHSA-N -1 3 354.362 2.942 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](O)c2ccccc2C)c(C)c1[O-] ZINC001144532716 998635037 /nfs/dbraw/zinc/63/50/37/998635037.db2.gz VGXKUKHQQNVXIL-GOSISDBHSA-N -1 3 368.389 2.730 20 30 FFEDHM COc1cccc([C@@H](C#N)NC(=O)c2ccc(C(C)=O)c([O-])c2)c1OC ZINC001144584586 998666579 /nfs/dbraw/zinc/66/65/79/998666579.db2.gz AWYYJALQPQXBCM-OAHLLOKOSA-N -1 3 354.362 2.607 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CN/C=C2/c3ccccc3C(=O)[N-]C2=O)c1 ZINC000733773418 999069370 /nfs/dbraw/zinc/06/93/70/999069370.db2.gz CVEJCGIQCZICJK-CCNLRRDASA-N -1 3 361.401 2.768 20 30 FFEDHM Cc1cccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000744021035 999840292 /nfs/dbraw/zinc/84/02/92/999840292.db2.gz OLJDNSLDAHBDCT-ZDUSSCGKSA-N -1 3 372.446 2.726 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C2CC2)n(C)n1 ZINC000744030678 999840864 /nfs/dbraw/zinc/84/08/64/999840864.db2.gz KMXZQMDQCZVEHS-ZDUSSCGKSA-N -1 3 352.394 2.657 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc3c(c1)CCO3)[n-]c2=O ZINC000769807395 1000607203 /nfs/dbraw/zinc/60/72/03/1000607203.db2.gz LRPGLEOTXBMDNM-UHFFFAOYSA-N -1 3 352.398 2.668 20 30 FFEDHM COc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1OC ZINC000769808239 1000607298 /nfs/dbraw/zinc/60/72/98/1000607298.db2.gz DYJYDBCRUBYTCY-UHFFFAOYSA-N -1 3 370.413 2.750 20 30 FFEDHM CS(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)c(Cl)c1 ZINC001149021212 1001251534 /nfs/dbraw/zinc/25/15/34/1001251534.db2.gz MFWILHMBYMQROL-UHFFFAOYSA-N -1 3 350.783 2.573 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001276191265 1016499881 /nfs/dbraw/zinc/49/98/81/1016499881.db2.gz HPPIYWQEGZZXNK-AWEZNQCLSA-N -1 3 350.409 2.965 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)nc2c(Br)cccc12 ZINC001171365483 1001766276 /nfs/dbraw/zinc/76/62/76/1001766276.db2.gz YRXKIHKZMWYUAU-RCOVLWMOSA-N -1 3 371.622 2.694 20 30 FFEDHM C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001276199112 1016521143 /nfs/dbraw/zinc/52/11/43/1016521143.db2.gz DSMDJPDPCTUPMK-MRXNPFEDSA-N -1 3 362.857 2.943 20 30 FFEDHM N#C[C@H](CC(=O)NCCCc1c[n-][nH]c1=O)c1c(Cl)cccc1Cl ZINC001183120406 1002155507 /nfs/dbraw/zinc/15/55/07/1002155507.db2.gz IAXOYDWIXLRXEM-MNOVXSKESA-N -1 3 367.236 2.619 20 30 FFEDHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000790076930 1002266729 /nfs/dbraw/zinc/26/67/29/1002266729.db2.gz QSLMJFNXCAOFCH-SECBINFHSA-N -1 3 369.768 2.667 20 30 FFEDHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000790076930 1002266742 /nfs/dbraw/zinc/26/67/42/1002266742.db2.gz QSLMJFNXCAOFCH-SECBINFHSA-N -1 3 369.768 2.667 20 30 FFEDHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000790076930 1002266752 /nfs/dbraw/zinc/26/67/52/1002266752.db2.gz QSLMJFNXCAOFCH-SECBINFHSA-N -1 3 369.768 2.667 20 30 FFEDHM C#C[C@@H](CCC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000791739337 1002795938 /nfs/dbraw/zinc/79/59/38/1002795938.db2.gz BMQOVBCDQDQKRQ-ZDUSSCGKSA-N -1 3 371.462 2.870 20 30 FFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccn(CC2CC2)c(=O)c1 ZINC001196711611 1003923090 /nfs/dbraw/zinc/92/30/90/1003923090.db2.gz OHCNWEVLFLRGFN-UHFFFAOYSA-N -1 3 363.826 2.584 20 30 FFEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C#N)c2)c(C)c1 ZINC001196878866 1003986447 /nfs/dbraw/zinc/98/64/47/1003986447.db2.gz BUNSWWRMXMUDPI-UHFFFAOYSA-N -1 3 373.434 2.943 20 30 FFEDHM COc1cccc(CS(=O)(=O)[N-]c2cnc(C#N)c(C(F)(F)F)c2)c1 ZINC001197348997 1004169795 /nfs/dbraw/zinc/16/97/95/1004169795.db2.gz UVYHCNIWFDYYMC-UHFFFAOYSA-N -1 3 371.340 2.923 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001193151212 1004390516 /nfs/dbraw/zinc/39/05/16/1004390516.db2.gz OFXTXGLVKYAADG-GFCCVEGCSA-N -1 3 365.455 2.634 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)cc1C#N ZINC001201324172 1005200495 /nfs/dbraw/zinc/20/04/95/1005200495.db2.gz WKZGRFYZQNHJBE-UHFFFAOYSA-N -1 3 351.309 2.956 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)c2c(c1)OCCCO2 ZINC000109481898 1005835301 /nfs/dbraw/zinc/83/53/01/1005835301.db2.gz ORJIRVJSSFLBJC-GFCCVEGCSA-N -1 3 371.780 2.857 20 30 FFEDHM N#CC(C(=O)C=Cc1ccc(C(N)=O)o1)=C([O-])c1cc2c(s1)CCCC2 ZINC000853131511 1006308228 /nfs/dbraw/zinc/30/82/28/1006308228.db2.gz JDVRLGKAGFKVCQ-SCXUMTSISA-N -1 3 368.414 2.924 20 30 FFEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1ccc(C(N)=O)o1 ZINC000853131511 1006308236 /nfs/dbraw/zinc/30/82/36/1006308236.db2.gz JDVRLGKAGFKVCQ-SCXUMTSISA-N -1 3 368.414 2.924 20 30 FFEDHM Cc1nc([N-]C(=O)c2c(F)cc(C#N)cc2F)n(-c2ccc(F)cc2C)n1 ZINC001134419799 1006320958 /nfs/dbraw/zinc/32/09/58/1006320958.db2.gz RVCTWFHSZDUJGT-UHFFFAOYSA-N -1 3 371.322 2.847 20 30 FFEDHM CCOC(=O)n1nc2c(c1[N-]c1ccc([N+](=O)[O-])cc1C#N)CNC2(C)C ZINC001170761031 1006415635 /nfs/dbraw/zinc/41/56/35/1006415635.db2.gz RBCPNJJBECUDDL-UHFFFAOYSA-N -1 3 370.369 2.749 20 30 FFEDHM N#Cc1ccc(-c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)cc1F ZINC001188709398 1006685699 /nfs/dbraw/zinc/68/56/99/1006685699.db2.gz ANWBDKUEAKRRFF-QGZVFWFLSA-N -1 3 364.380 2.606 20 30 FFEDHM C#CCC1(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])CCCCC1 ZINC000854456456 1006840879 /nfs/dbraw/zinc/84/08/79/1006840879.db2.gz UTAOFSJIJOULEO-GJZGRUSLSA-N -1 3 357.454 2.840 20 30 FFEDHM COC(=O)c1cc(C(=O)O[C@H]2CCCN(c3ccc(F)cc3C#N)C2)c[n-]1 ZINC000816041549 1006871954 /nfs/dbraw/zinc/87/19/54/1006871954.db2.gz SNGCLCMGTAVSIU-HNNXBMFYSA-N -1 3 371.368 2.638 20 30 FFEDHM Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)o2)c(C)c1 ZINC000816754527 1007192321 /nfs/dbraw/zinc/19/23/21/1007192321.db2.gz GTULZKNGRIUCJZ-OAHLLOKOSA-N -1 3 358.394 2.585 20 30 FFEDHM C[C@@H]1CCCN(c2cc(C(=O)N([O-])C(=N)c3ccccc3N)ccn2)C1 ZINC001189629088 1007194673 /nfs/dbraw/zinc/19/46/73/1007194673.db2.gz FBMSFOCCHCQOFP-CYBMUJFWSA-N -1 3 353.426 2.757 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800205501 1007200566 /nfs/dbraw/zinc/20/05/66/1007200566.db2.gz KIQDJIAORXDFGH-LBPRGKRZSA-N -1 3 370.434 2.780 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800205501 1007200578 /nfs/dbraw/zinc/20/05/78/1007200578.db2.gz KIQDJIAORXDFGH-LBPRGKRZSA-N -1 3 370.434 2.780 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800205501 1007200590 /nfs/dbraw/zinc/20/05/90/1007200590.db2.gz KIQDJIAORXDFGH-LBPRGKRZSA-N -1 3 370.434 2.780 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C)n(CC)n2)c(C)c1[O-] ZINC001190118212 1007480713 /nfs/dbraw/zinc/48/07/13/1007480713.db2.gz LXABRZAQCKPQKW-UHFFFAOYSA-N -1 3 356.382 2.526 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 ZINC000884703586 1007513113 /nfs/dbraw/zinc/51/31/13/1007513113.db2.gz DWFHJCLCTFAAPM-UHFFFAOYSA-N -1 3 363.343 2.708 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(Cc3ccccc3)CCOCC2)c1 ZINC001190677781 1007745970 /nfs/dbraw/zinc/74/59/70/1007745970.db2.gz XACCONIIHXBXDC-UHFFFAOYSA-N -1 3 374.437 2.768 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(C)nc2OC)c(C)c1[O-] ZINC001190810069 1007784173 /nfs/dbraw/zinc/78/41/73/1007784173.db2.gz JRXIHYJVJITAND-UHFFFAOYSA-N -1 3 369.377 2.713 20 30 FFEDHM COc1ccccc1/C=C(\C(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000820471013 1008338846 /nfs/dbraw/zinc/33/88/46/1008338846.db2.gz KZKWWDPPVRHZEG-DNKLCNGGSA-N -1 3 366.417 2.732 20 30 FFEDHM N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820476826 1008339063 /nfs/dbraw/zinc/33/90/63/1008339063.db2.gz QGESVPCGLZCBPH-OAHLLOKOSA-N -1 3 367.430 2.819 20 30 FFEDHM CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820477315 1008339317 /nfs/dbraw/zinc/33/93/17/1008339317.db2.gz XJDJWEFGQJGDGS-INIZCTEOSA-N -1 3 369.421 2.544 20 30 FFEDHM CN1CCCC[C@H]1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001178690435 1009085928 /nfs/dbraw/zinc/08/59/28/1009085928.db2.gz AHDDCGDIQKWDCT-MDBUFAAASA-N -1 3 371.466 2.644 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)[n-]1 ZINC000861308736 1009339236 /nfs/dbraw/zinc/33/92/36/1009339236.db2.gz VZGDIQOJQFXNEZ-UHFFFAOYSA-N -1 3 352.394 2.909 20 30 FFEDHM CCOC(=O)c1nc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)c[n-]1 ZINC000861308736 1009339249 /nfs/dbraw/zinc/33/92/49/1009339249.db2.gz VZGDIQOJQFXNEZ-UHFFFAOYSA-N -1 3 352.394 2.909 20 30 FFEDHM C=CCN1CC[C@@]2(CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)C1=O ZINC001274110281 1009401734 /nfs/dbraw/zinc/40/17/34/1009401734.db2.gz YBLZENOPUQKQRU-KRWDZBQOSA-N -1 3 368.355 2.662 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2C[C@H]2C(F)(F)F)c(C)c1[O-] ZINC001182319276 1010491024 /nfs/dbraw/zinc/49/10/24/1010491024.db2.gz MZTHQLBRJUSZEV-MWLCHTKSSA-N -1 3 356.300 2.886 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cncc(N2CCCC2)n1 ZINC000870137134 1012182214 /nfs/dbraw/zinc/18/22/14/1012182214.db2.gz WYHHTVYIJKCPTE-CQSZACIVSA-N -1 3 369.812 2.691 20 30 FFEDHM C=CCOC[C@H](NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000901810062 1019491887 /nfs/dbraw/zinc/49/18/87/1019491887.db2.gz WAQKNPMIXGGLOD-HNNXBMFYSA-N -1 3 369.343 2.637 20 30 FFEDHM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000802048872 1019673865 /nfs/dbraw/zinc/67/38/65/1019673865.db2.gz MCOSIQNHEHOLAD-OAHLLOKOSA-N -1 3 363.352 2.676 20 30 FFEDHM O=C([C@H](c1ccccc1F)N1CCOCC1)N([O-])Cc1ccc(F)cc1 ZINC000900093935 1020187045 /nfs/dbraw/zinc/18/70/45/1020187045.db2.gz CFHWTMFALHDUPI-SFHVURJKSA-N -1 3 362.376 2.756 20 30 FFEDHM C=C(C)CNC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000779129950 1022863816 /nfs/dbraw/zinc/86/38/16/1022863816.db2.gz JIPGFOHREJHQSM-UHFFFAOYSA-N -1 3 370.405 2.968 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](OCCC(C)C)C1 ZINC001122566062 1023342655 /nfs/dbraw/zinc/34/26/55/1023342655.db2.gz ADPLVTKHVNZBPK-OAHLLOKOSA-N -1 3 372.473 2.658 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccccc2[C@@H](C)C1 ZINC001121533086 1023832035 /nfs/dbraw/zinc/83/20/35/1023832035.db2.gz PKWSTCKIZKQRIN-AWEZNQCLSA-N -1 3 362.437 2.793 20 30 FFEDHM C[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000838139730 1026223893 /nfs/dbraw/zinc/22/38/93/1026223893.db2.gz CJIGGZLTWDCQBA-AWEZNQCLSA-N -1 3 370.380 2.952 20 30 FFEDHM C[C@H](C#N)Oc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000091811047 1027069647 /nfs/dbraw/zinc/06/96/47/1027069647.db2.gz ATKOIURTCANILV-MRXNPFEDSA-N -1 3 365.433 2.641 20 30 FFEDHM N#C[C@@H]1CCCN(C(=O)c2c[n-]c3cc(Br)ccc3c2=O)C1 ZINC001153877098 1028039044 /nfs/dbraw/zinc/03/90/44/1028039044.db2.gz UEYGUHWBHPLODI-JTQLQIEISA-N -1 3 360.211 2.666 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3nccc4ccccc43)cc(=O)c2c1 ZINC001154560083 1028354493 /nfs/dbraw/zinc/35/44/93/1028354493.db2.gz WMOHMJBSJZQWEY-UHFFFAOYSA-N -1 3 354.369 2.878 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCOC[C@H]2c2cccnc2)n1 ZINC001156234773 1029104988 /nfs/dbraw/zinc/10/49/88/1029104988.db2.gz BWMPNYRMLQZDAW-MEBUONCMSA-N -1 3 365.846 2.633 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)/C=C/c2ccccn2)c(C)c1[O-] ZINC001142297820 1030281599 /nfs/dbraw/zinc/28/15/99/1030281599.db2.gz JVMDGWYHLPGCGQ-BQYQJAHWSA-N -1 3 351.362 2.796 20 30 FFEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N(C)Cc1ccc(C#N)cc1 ZINC001166539828 1030438292 /nfs/dbraw/zinc/43/82/92/1030438292.db2.gz TVQQUFHFXCFLNL-UHFFFAOYSA-N -1 3 355.785 2.906 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(C(F)(F)F)on1 ZINC000797051260 1030986285 /nfs/dbraw/zinc/98/62/85/1030986285.db2.gz ZIYZCOHRXVOQEQ-UHFFFAOYSA-N -1 3 369.299 2.959 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)C2(C#N)CCCCC2)s1 ZINC001535466196 1069798055 /nfs/dbraw/zinc/79/80/55/1069798055.db2.gz SAHZRUGTXZTIEA-UHFFFAOYSA-N -1 3 370.500 2.632 20 30 FFEDHM COC(=O)[C@@H](O/C(=N\[O-])c1ccccn1)c1cccc(Br)c1 ZINC001223975908 1033664974 /nfs/dbraw/zinc/66/49/74/1033664974.db2.gz IZAMDJZYISCXBA-SSICXYGWSA-N -1 3 365.183 2.911 20 30 FFEDHM Cc1cc(=O)c(C#N)c(OC2CCN(C(=O)c3cccnc3Cl)CC2)[n-]1 ZINC001225466775 1034265249 /nfs/dbraw/zinc/26/52/49/1034265249.db2.gz GSEJFFICLIMXFE-UHFFFAOYSA-N -1 3 372.812 2.699 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](CS(C)(=O)=O)c2ccccc2Cl)[n-]1 ZINC001225469743 1034267342 /nfs/dbraw/zinc/26/73/42/1034267342.db2.gz NMEFMTDREPIUBG-HNNXBMFYSA-N -1 3 366.826 2.785 20 30 FFEDHM CC(=O)c1ccc([O-])c(OC2CCN(c3cc(C#N)ccn3)CC2)c1O ZINC001226483640 1034708712 /nfs/dbraw/zinc/70/87/12/1034708712.db2.gz XLCOFHWYTCJQAA-UHFFFAOYSA-N -1 3 353.378 2.615 20 30 FFEDHM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140466891 1035486491 /nfs/dbraw/zinc/48/64/91/1035486491.db2.gz LDUFGTQHDPTMBS-MRXNPFEDSA-N -1 3 362.861 2.959 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](COc3cc(C#N)ccc3[O-])[C@H]2C1 ZINC001227344645 1035513172 /nfs/dbraw/zinc/51/31/72/1035513172.db2.gz BRNFETXMWDMSLA-JJRVBVJISA-N -1 3 360.410 2.525 20 30 FFEDHM C=CCOC(=O)N1CCC2(CN(Cc3c(F)ccc([O-])c3F)C2)CC1 ZINC001233393505 1036594670 /nfs/dbraw/zinc/59/46/70/1036594670.db2.gz YTYKDGKBGRLZRJ-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM N#Cc1ccnc(N2CCC(Oc3[n-]c(=O)nc4cccc(C#N)c43)CC2)c1 ZINC001234514038 1037066940 /nfs/dbraw/zinc/06/69/40/1037066940.db2.gz RKNKNQTZRFLWGZ-UHFFFAOYSA-N -1 3 372.388 2.522 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234511622 1037068772 /nfs/dbraw/zinc/06/87/72/1037068772.db2.gz SHTCHPMIPZLZSC-GFCCVEGCSA-N -1 3 356.382 2.595 20 30 FFEDHM N#Cc1ccnc(N2CCN(Cc3ccc([O-])c(C(F)(F)F)c3)CC2)c1 ZINC001231523182 1037653656 /nfs/dbraw/zinc/65/36/56/1037653656.db2.gz QXGWLXSLPASCOK-UHFFFAOYSA-N -1 3 362.355 3.000 20 30 FFEDHM C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001231562763 1037685371 /nfs/dbraw/zinc/68/53/71/1037685371.db2.gz DIAFQFHLNHVCBR-HXUWFJFHSA-N -1 3 358.438 2.624 20 30 FFEDHM C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001231562763 1037685379 /nfs/dbraw/zinc/68/53/79/1037685379.db2.gz DIAFQFHLNHVCBR-HXUWFJFHSA-N -1 3 358.438 2.624 20 30 FFEDHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259118849 1039727516 /nfs/dbraw/zinc/72/75/16/1039727516.db2.gz ZZIJOKCVGZWPCY-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc([N+](=O)[O-])c1 ZINC001211022910 1039910543 /nfs/dbraw/zinc/91/05/43/1039910543.db2.gz WCIIDNZSTYRDRE-GFCCVEGCSA-N -1 3 351.409 2.958 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cccnc2-c2ccccn2)cc1 ZINC001260039314 1040371056 /nfs/dbraw/zinc/37/10/56/1040371056.db2.gz CDTYUXUYCBOHKJ-UHFFFAOYSA-N -1 3 350.403 2.957 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(F)cc1F ZINC001260044007 1040373837 /nfs/dbraw/zinc/37/38/37/1040373837.db2.gz XHJOVYZBUPLSGK-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM CCOc1ccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC001262645379 1041772751 /nfs/dbraw/zinc/77/27/51/1041772751.db2.gz COMKEIMSHCLHFJ-UHFFFAOYSA-N -1 3 367.449 2.966 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CCC(F)(F)F ZINC001262943232 1041979711 /nfs/dbraw/zinc/97/97/11/1041979711.db2.gz JOFSFPSYEXCOLT-UHFFFAOYSA-N -1 3 368.363 2.893 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCSC2(CCCCC2)C1 ZINC001262956963 1041988121 /nfs/dbraw/zinc/98/81/21/1041988121.db2.gz FFECSXNKWKAADM-UHFFFAOYSA-N -1 3 372.498 2.883 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001262957529 1041988300 /nfs/dbraw/zinc/98/83/00/1041988300.db2.gz XJFXRFMWEPSWDL-INIZCTEOSA-N -1 3 362.437 2.696 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(C#N)nc3)c2)n1 ZINC001264603746 1042738035 /nfs/dbraw/zinc/73/80/35/1042738035.db2.gz HYNWGBXJQJAMGO-UHFFFAOYSA-N -1 3 359.389 2.859 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC001309619320 1043456624 /nfs/dbraw/zinc/45/66/24/1043456624.db2.gz UYQDSIYRXQEBJY-CYBMUJFWSA-N -1 3 350.783 2.901 20 30 FFEDHM O=C(OCc1ccccc1-c1ccc(F)c([O-])c1)ON1C(=O)CCC1=O ZINC001243046917 1044849721 /nfs/dbraw/zinc/84/97/21/1044849721.db2.gz AQYVDTLCYQFVFA-UHFFFAOYSA-N -1 3 359.309 2.916 20 30 FFEDHM [O-]c1cc(O)ccc1-c1csc(=NC2CC2)n1N=Cc1cccnc1 ZINC001317737132 1045129127 /nfs/dbraw/zinc/12/91/27/1045129127.db2.gz JDAZGVZMMYFLLL-UHFFFAOYSA-N -1 3 352.419 2.968 20 30 FFEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC001320294674 1045385053 /nfs/dbraw/zinc/38/50/53/1045385053.db2.gz PTTKKQPTYBVOTF-VIFPVBQESA-N -1 3 354.653 2.582 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OCC ZINC001320435847 1045408161 /nfs/dbraw/zinc/40/81/61/1045408161.db2.gz BZLFTRGWGFYBKC-JTQLQIEISA-N -1 3 352.239 2.780 20 30 FFEDHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(C)c1 ZINC001323495188 1045610866 /nfs/dbraw/zinc/61/08/66/1045610866.db2.gz BXRVSBTWCSBNRT-UHFFFAOYSA-N -1 3 360.435 2.887 20 30 FFEDHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001321621219 1045733431 /nfs/dbraw/zinc/73/34/31/1045733431.db2.gz NQXPZJMEHXEEKI-UHFFFAOYSA-N -1 3 358.401 2.857 20 30 FFEDHM CC[C@@]1(C/N=C2/[N-]S(=O)(=O)c3ccccc32)OCCc2ccccc21 ZINC001324221418 1045923752 /nfs/dbraw/zinc/92/37/52/1045923752.db2.gz NYVLBANUVQHDHJ-IBGZPJMESA-N -1 3 356.447 2.603 20 30 FFEDHM C[C@@H](CSCCNCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC001334408594 1049410481 /nfs/dbraw/zinc/41/04/81/1049410481.db2.gz VMJMXXMDMKUTOU-JTQLQIEISA-N -1 3 357.273 2.864 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@](C)(C(=O)OC)C3)n2C)c1[O-] ZINC001340035476 1050446053 /nfs/dbraw/zinc/44/60/53/1050446053.db2.gz INXLFQXVGKXNPH-HXUWFJFHSA-N -1 3 370.453 2.696 20 30 FFEDHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@@H]1CCCN([O-])C1=O ZINC001298543192 1050470229 /nfs/dbraw/zinc/47/02/29/1050470229.db2.gz MUUMADGEIWCPOG-MRXNPFEDSA-N -1 3 362.470 2.948 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](CC(F)(F)F)C1 ZINC001340458617 1050852689 /nfs/dbraw/zinc/85/26/89/1050852689.db2.gz DMVDPXGANWTKRW-NSHDSACASA-N -1 3 368.363 2.796 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1csc(CC)n1 ZINC001342413625 1051009092 /nfs/dbraw/zinc/00/90/92/1051009092.db2.gz GDZLLBYPLKPLTR-UHFFFAOYSA-N -1 3 364.866 2.558 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1csc(CC)n1 ZINC001342413625 1051009104 /nfs/dbraw/zinc/00/91/04/1051009104.db2.gz GDZLLBYPLKPLTR-UHFFFAOYSA-N -1 3 364.866 2.558 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@@H]3COCCO3)n2CC)c1[O-] ZINC001341309489 1051664370 /nfs/dbraw/zinc/66/43/70/1051664370.db2.gz IMXPCCDDPTUILD-MRXNPFEDSA-N -1 3 372.469 2.641 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(C)CCOC(C)(C)C ZINC001343315117 1052156215 /nfs/dbraw/zinc/15/62/15/1052156215.db2.gz NMKSYJKFQQLNBM-UHFFFAOYSA-N -1 3 353.858 2.544 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(C)CCOC(C)(C)C ZINC001343315117 1052156216 /nfs/dbraw/zinc/15/62/16/1052156216.db2.gz NMKSYJKFQQLNBM-UHFFFAOYSA-N -1 3 353.858 2.544 20 30 FFEDHM CCCCN([O-])C(=O)C1=NO[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001306897273 1052214967 /nfs/dbraw/zinc/21/49/67/1052214967.db2.gz GOHAKBVMDUDKST-QGZVFWFLSA-N -1 3 355.435 2.550 20 30 FFEDHM C=C(C)Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCOCC1 ZINC001345901122 1052662400 /nfs/dbraw/zinc/66/24/00/1052662400.db2.gz HEIYYFLWQZFLIO-UHFFFAOYSA-N -1 3 362.861 2.835 20 30 FFEDHM CNc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)cc(Cl)n1 ZINC001346040494 1052718685 /nfs/dbraw/zinc/71/86/85/1052718685.db2.gz VMTFEFFTUHNTHK-ZDUSSCGKSA-N -1 3 358.785 2.746 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3c(Br)cccc3C#N)C2)n1 ZINC001348302436 1054619026 /nfs/dbraw/zinc/61/90/26/1054619026.db2.gz YLWOYTCSJUMNEF-GFCCVEGCSA-N -1 3 374.242 2.816 20 30 FFEDHM C=C[C@H](CC(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001349214442 1055146386 /nfs/dbraw/zinc/14/63/86/1055146386.db2.gz UOSMZKPTLXGYBG-AEFFLSMTSA-N -1 3 366.465 2.936 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001356152839 1055338202 /nfs/dbraw/zinc/33/82/02/1055338202.db2.gz OSRMZSNHYUGZSH-QMMMGPOBSA-N -1 3 361.759 2.681 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001356152839 1055338216 /nfs/dbraw/zinc/33/82/16/1055338216.db2.gz OSRMZSNHYUGZSH-QMMMGPOBSA-N -1 3 361.759 2.681 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2cc(C(=O)OC)ccn2)c(C#N)c1C ZINC001349992231 1055572478 /nfs/dbraw/zinc/57/24/78/1055572478.db2.gz VJFRNRJCOUKZJH-UHFFFAOYSA-N -1 3 373.390 2.539 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)nn1 ZINC001544003929 1071580450 /nfs/dbraw/zinc/58/04/50/1071580450.db2.gz KIEIYONSWMSYKE-UHFFFAOYSA-N -1 3 362.365 2.903 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@@H]4COC[C@@H]43)n2C)c1[O-] ZINC001339314544 1056321093 /nfs/dbraw/zinc/32/10/93/1056321093.db2.gz BGHQETKHTNSHRS-WBVHZDCISA-N -1 3 354.454 2.922 20 30 FFEDHM CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848138680 1059114023 /nfs/dbraw/zinc/11/40/23/1059114023.db2.gz PULRJBIVEQDFIV-IBGZPJMESA-N -1 3 367.449 2.823 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001515691892 1059750236 /nfs/dbraw/zinc/75/02/36/1059750236.db2.gz XNXWEBLIMBPHCZ-HNNXBMFYSA-N -1 3 351.357 2.840 20 30 FFEDHM CO[C@@H]1CCn2cc(C([O-])=C(C#N)c3nc4c(cccc4Cl)[nH]3)nc2C1 ZINC001517123615 1060354452 /nfs/dbraw/zinc/35/44/52/1060354452.db2.gz LMRLLAZDRKRQGT-GHMZBOCLSA-N -1 3 369.812 2.864 20 30 FFEDHM CN1CCC(OCC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)CC1 ZINC001526033027 1060976959 /nfs/dbraw/zinc/97/69/59/1060976959.db2.gz ZKGFQNMTXXREDR-OAHLLOKOSA-N -1 3 360.479 2.629 20 30 FFEDHM C[C@H](Oc1cccnc1NC(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC001476450313 1061414430 /nfs/dbraw/zinc/41/44/30/1061414430.db2.gz QDKLLOFHNHYPMI-ZFWWWQNUSA-N -1 3 370.409 2.723 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001523776626 1062617470 /nfs/dbraw/zinc/61/74/70/1062617470.db2.gz CUMKLKAXSKILII-TXEJJXNPSA-N -1 3 360.487 2.655 20 30 FFEDHM CCCOc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1OCCC ZINC001465083821 1062970422 /nfs/dbraw/zinc/97/04/22/1062970422.db2.gz MAABWQHBFMUUPO-CQSZACIVSA-N -1 3 365.430 2.766 20 30 FFEDHM C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575336872 1078130128 /nfs/dbraw/zinc/13/01/28/1078130128.db2.gz IJDMCNNMCWWUKC-GFCCVEGCSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575336872 1078130132 /nfs/dbraw/zinc/13/01/32/1078130132.db2.gz IJDMCNNMCWWUKC-GFCCVEGCSA-N -1 3 364.434 2.973 20 30 FFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)cn1 ZINC001577659106 1078385180 /nfs/dbraw/zinc/38/51/80/1078385180.db2.gz ALTORMAPSIKAHV-UHFFFAOYSA-N -1 3 362.397 2.577 20 30 FFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)cn1 ZINC001577659106 1078385184 /nfs/dbraw/zinc/38/51/84/1078385184.db2.gz ALTORMAPSIKAHV-UHFFFAOYSA-N -1 3 362.397 2.577 20 30 FFEDHM Cc1ccc(CO[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC001581200526 1078935209 /nfs/dbraw/zinc/93/52/09/1078935209.db2.gz QVRMPHRUZGKHEA-CYBMUJFWSA-N -1 3 362.393 2.591 20 30 FFEDHM Cc1ccc(CO[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC001581200526 1078935213 /nfs/dbraw/zinc/93/52/13/1078935213.db2.gz QVRMPHRUZGKHEA-CYBMUJFWSA-N -1 3 362.393 2.591 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCCc2c(F)cccc2F)nc1N ZINC001581863216 1079008258 /nfs/dbraw/zinc/00/82/58/1079008258.db2.gz BBUFEDMGMNTUQL-UHFFFAOYSA-N -1 3 373.392 2.719 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCCc2c(F)cccc2F)nc1N ZINC001581863216 1079008264 /nfs/dbraw/zinc/00/82/64/1079008264.db2.gz BBUFEDMGMNTUQL-UHFFFAOYSA-N -1 3 373.392 2.719 20 30 FFEDHM N#Cc1cc(F)cc(Cl)c1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001581866854 1079011423 /nfs/dbraw/zinc/01/14/23/1079011423.db2.gz XVIGFKVXWDGRNM-UHFFFAOYSA-N -1 3 359.748 2.989 20 30 FFEDHM N#Cc1cccc([N+](=O)[O-])c1NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001581875522 1079012962 /nfs/dbraw/zinc/01/29/62/1079012962.db2.gz BXQPHEGZKRZWJS-UHFFFAOYSA-N -1 3 355.745 2.912 20 30 FFEDHM N#Cc1cccc([N+](=O)[O-])c1NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001581875522 1079012965 /nfs/dbraw/zinc/01/29/65/1079012965.db2.gz BXQPHEGZKRZWJS-UHFFFAOYSA-N -1 3 355.745 2.912 20 30 FFEDHM N#CCOc1cccc(CNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001565723815 1076757761 /nfs/dbraw/zinc/75/77/61/1076757761.db2.gz QBZSJCTYGQTTDL-UHFFFAOYSA-N -1 3 361.195 2.987 20 30 FFEDHM N#Cc1c[nH]nc1[N-]C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001570570417 1077215348 /nfs/dbraw/zinc/21/53/48/1077215348.db2.gz ZHZDGGGQXRIPRH-UHFFFAOYSA-N -1 3 358.155 2.951 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001573341783 1077675319 /nfs/dbraw/zinc/67/53/19/1077675319.db2.gz RDWMRVSXYNAOID-UHFFFAOYSA-N -1 3 374.408 2.662 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001573341783 1077675321 /nfs/dbraw/zinc/67/53/21/1077675321.db2.gz RDWMRVSXYNAOID-UHFFFAOYSA-N -1 3 374.408 2.662 20 30 FFEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588327951 1079983369 /nfs/dbraw/zinc/98/33/69/1079983369.db2.gz VMTSPKQBASGPPT-VIFPVBQESA-N -1 3 363.219 2.553 20 30 FFEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588327951 1079983372 /nfs/dbraw/zinc/98/33/72/1079983372.db2.gz VMTSPKQBASGPPT-VIFPVBQESA-N -1 3 363.219 2.553 20 30 FFEDHM C#CC[C@@H](NC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001588333783 1079986624 /nfs/dbraw/zinc/98/66/24/1079986624.db2.gz DPXQVVXBNFQDER-MRXNPFEDSA-N -1 3 366.450 2.834 20 30 FFEDHM C#CC[C@@H](NC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001588333783 1079986629 /nfs/dbraw/zinc/98/66/29/1079986629.db2.gz DPXQVVXBNFQDER-MRXNPFEDSA-N -1 3 366.450 2.834 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588334023 1079986890 /nfs/dbraw/zinc/98/68/90/1079986890.db2.gz LQTPUCRYZQUTHS-HNNXBMFYSA-N -1 3 364.384 2.762 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588334023 1079986898 /nfs/dbraw/zinc/98/68/98/1079986898.db2.gz LQTPUCRYZQUTHS-HNNXBMFYSA-N -1 3 364.384 2.762 20 30 FFEDHM C#CC[C@H](COC)Nc1c(-c2nnn[n-]2)cnc2c(Cl)cc(C)cc21 ZINC001588333774 1079987507 /nfs/dbraw/zinc/98/75/07/1079987507.db2.gz DLAYQOFNSDBXFE-LLVKDONJSA-N -1 3 356.817 2.827 20 30 FFEDHM C#CC[C@H](COC)Nc1c(-c2nn[n-]n2)cnc2c(Cl)cc(C)cc21 ZINC001588333774 1079987518 /nfs/dbraw/zinc/98/75/18/1079987518.db2.gz DLAYQOFNSDBXFE-LLVKDONJSA-N -1 3 356.817 2.827 20 30 FFEDHM C#CCC1(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001588334620 1079989195 /nfs/dbraw/zinc/98/91/95/1079989195.db2.gz CYOYRCSRKGMQPR-UHFFFAOYSA-N -1 3 369.494 2.942 20 30 FFEDHM C#CCC1(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001588334620 1079989197 /nfs/dbraw/zinc/98/91/97/1079989197.db2.gz CYOYRCSRKGMQPR-UHFFFAOYSA-N -1 3 369.494 2.942 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588334458 1079989253 /nfs/dbraw/zinc/98/92/53/1079989253.db2.gz XYFCZQHDMWEWAB-SWNWVQGVSA-N -1 3 357.417 2.631 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588334458 1079989256 /nfs/dbraw/zinc/98/92/56/1079989256.db2.gz XYFCZQHDMWEWAB-SWNWVQGVSA-N -1 3 357.417 2.631 20 30 FFEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC=C)CC=C ZINC001588345573 1079990174 /nfs/dbraw/zinc/99/01/74/1079990174.db2.gz LJVTWHLIGOMNNA-UHFFFAOYSA-N -1 3 374.452 2.717 20 30 FFEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC=C)CC=C ZINC001588345573 1079990180 /nfs/dbraw/zinc/99/01/80/1079990180.db2.gz LJVTWHLIGOMNNA-UHFFFAOYSA-N -1 3 374.452 2.717 20 30 FFEDHM C#Cc1cncc(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)c1 ZINC001588379927 1079998707 /nfs/dbraw/zinc/99/87/07/1079998707.db2.gz QOZLWNWGZPWJHD-UHFFFAOYSA-N -1 3 362.393 2.673 20 30 FFEDHM C#Cc1cncc(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)c1 ZINC001588379927 1079998713 /nfs/dbraw/zinc/99/87/13/1079998713.db2.gz QOZLWNWGZPWJHD-UHFFFAOYSA-N -1 3 362.393 2.673 20 30 FFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001588381417 1079998813 /nfs/dbraw/zinc/99/88/13/1079998813.db2.gz BAMYJBQZFQYDNP-SFHVURJKSA-N -1 3 364.409 2.871 20 30 FFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001588381417 1079998818 /nfs/dbraw/zinc/99/88/18/1079998818.db2.gz BAMYJBQZFQYDNP-SFHVURJKSA-N -1 3 364.409 2.871 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588411741 1080015236 /nfs/dbraw/zinc/01/52/36/1080015236.db2.gz IWLUDSPAMYAWPW-ZDUSSCGKSA-N -1 3 358.421 2.765 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588411741 1080015244 /nfs/dbraw/zinc/01/52/44/1080015244.db2.gz IWLUDSPAMYAWPW-ZDUSSCGKSA-N -1 3 358.421 2.765 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588411588 1080015324 /nfs/dbraw/zinc/01/53/24/1080015324.db2.gz DYUVOOQPSGMCIP-GDBMZVCRSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588411588 1080015333 /nfs/dbraw/zinc/01/53/33/1080015333.db2.gz DYUVOOQPSGMCIP-GDBMZVCRSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588412734 1080016170 /nfs/dbraw/zinc/01/61/70/1080016170.db2.gz ZRACDYVGGYQZTF-INIZCTEOSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588412734 1080016177 /nfs/dbraw/zinc/01/61/77/1080016177.db2.gz ZRACDYVGGYQZTF-INIZCTEOSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001588415314 1080018883 /nfs/dbraw/zinc/01/88/83/1080018883.db2.gz IHYXPICEZBTJTG-OAHLLOKOSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001588415314 1080018891 /nfs/dbraw/zinc/01/88/91/1080018891.db2.gz IHYXPICEZBTJTG-OAHLLOKOSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(C)(C)C1 ZINC001588437343 1080027190 /nfs/dbraw/zinc/02/71/90/1080027190.db2.gz XTOCYTCJELHZDQ-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(C)(C)C1 ZINC001588437343 1080027201 /nfs/dbraw/zinc/02/72/01/1080027201.db2.gz XTOCYTCJELHZDQ-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(C2CC2)nnc1N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588437715 1080027453 /nfs/dbraw/zinc/02/74/53/1080027453.db2.gz HMUAORYQWRDJCP-UHFFFAOYSA-N -1 3 356.459 2.610 20 30 FFEDHM C=C(C)Cn1c(C2CC2)nnc1N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588437715 1080027464 /nfs/dbraw/zinc/02/74/64/1080027464.db2.gz HMUAORYQWRDJCP-UHFFFAOYSA-N -1 3 356.459 2.610 20 30 FFEDHM C=C(CC(C)C)C(=O)NC1CCC(Oc2ncccc2-c2nnn[n-]2)CC1 ZINC001588442401 1080027822 /nfs/dbraw/zinc/02/78/22/1080027822.db2.gz NVCOROXTQMRGJG-UHFFFAOYSA-N -1 3 370.457 2.670 20 30 FFEDHM C=C1CCC(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC001588461180 1080036053 /nfs/dbraw/zinc/03/60/53/1080036053.db2.gz LPZBNDOLXCQLMB-UHFFFAOYSA-N -1 3 366.469 2.698 20 30 FFEDHM C=C1CCC(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC001588461180 1080036061 /nfs/dbraw/zinc/03/60/61/1080036061.db2.gz LPZBNDOLXCQLMB-UHFFFAOYSA-N -1 3 366.469 2.698 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@H]2C[C@@H]2C)CC1 ZINC001588462940 1080037391 /nfs/dbraw/zinc/03/73/91/1080037391.db2.gz UTMIKIPYWVYPPQ-BBRMVZONSA-N -1 3 362.441 2.863 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@H]2C[C@@H]2C)CC1 ZINC001588462940 1080037401 /nfs/dbraw/zinc/03/74/01/1080037401.db2.gz UTMIKIPYWVYPPQ-BBRMVZONSA-N -1 3 362.441 2.863 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588475233 1080042656 /nfs/dbraw/zinc/04/26/56/1080042656.db2.gz KOAQCRCGBLXKLT-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588475233 1080042661 /nfs/dbraw/zinc/04/26/61/1080042661.db2.gz KOAQCRCGBLXKLT-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](C)CCCCNc1ncccc1-c1nnn[n-]1 ZINC001588475590 1080043071 /nfs/dbraw/zinc/04/30/71/1080043071.db2.gz MWICYKSRUMEMES-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](C)CCCCNc1ncccc1-c1nn[n-]n1 ZINC001588475590 1080043083 /nfs/dbraw/zinc/04/30/83/1080043083.db2.gz MWICYKSRUMEMES-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)NC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC001588474909 1080043361 /nfs/dbraw/zinc/04/33/61/1080043361.db2.gz KSDAPRPLBSSCKA-AWEZNQCLSA-N -1 3 360.437 2.771 20 30 FFEDHM C=CC(C)(C)C(=O)NC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC001588474909 1080043369 /nfs/dbraw/zinc/04/33/69/1080043369.db2.gz KSDAPRPLBSSCKA-AWEZNQCLSA-N -1 3 360.437 2.771 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588484440 1080047896 /nfs/dbraw/zinc/04/78/96/1080047896.db2.gz DBCWJXCXQZARQI-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588484440 1080047901 /nfs/dbraw/zinc/04/79/01/1080047901.db2.gz DBCWJXCXQZARQI-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588489034 1080051419 /nfs/dbraw/zinc/05/14/19/1080051419.db2.gz VDJIWMSFAHQPQZ-KXBFYZLASA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588489034 1080051427 /nfs/dbraw/zinc/05/14/27/1080051427.db2.gz VDJIWMSFAHQPQZ-KXBFYZLASA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](C)ONC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588519443 1080071817 /nfs/dbraw/zinc/07/18/17/1080071817.db2.gz ZHRPRFZPCLPGMX-LBPRGKRZSA-N -1 3 350.382 2.846 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588521487 1080073378 /nfs/dbraw/zinc/07/33/78/1080073378.db2.gz OCEAWLIFMGUPKK-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588521487 1080073386 /nfs/dbraw/zinc/07/33/86/1080073386.db2.gz OCEAWLIFMGUPKK-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC[C@H](C(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001588530306 1080079464 /nfs/dbraw/zinc/07/94/64/1080079464.db2.gz JZELHGOKUJDUEK-IBGZPJMESA-N -1 3 374.448 2.849 20 30 FFEDHM C=CC[C@H](C(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001588530306 1080079477 /nfs/dbraw/zinc/07/94/77/1080079477.db2.gz JZELHGOKUJDUEK-IBGZPJMESA-N -1 3 374.448 2.849 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588532483 1080080687 /nfs/dbraw/zinc/08/06/87/1080080687.db2.gz XLYIQBZGHIOAPZ-OAHLLOKOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588532483 1080080696 /nfs/dbraw/zinc/08/06/96/1080080696.db2.gz XLYIQBZGHIOAPZ-OAHLLOKOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588545300 1080089487 /nfs/dbraw/zinc/08/94/87/1080089487.db2.gz DXHJVHYFRAQPLY-MRXNPFEDSA-N -1 3 363.421 2.793 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588545300 1080089497 /nfs/dbraw/zinc/08/94/97/1080089497.db2.gz DXHJVHYFRAQPLY-MRXNPFEDSA-N -1 3 363.421 2.793 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@H](CC)C1 ZINC001588566202 1080101742 /nfs/dbraw/zinc/10/17/42/1080101742.db2.gz CDPQERPCEGZALO-GDBMZVCRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@H](CC)C1 ZINC001588566202 1080101745 /nfs/dbraw/zinc/10/17/45/1080101745.db2.gz CDPQERPCEGZALO-GDBMZVCRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCCCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588596804 1080117068 /nfs/dbraw/zinc/11/70/68/1080117068.db2.gz ZQPCFYRLFYWKRB-QGZVFWFLSA-N -1 3 370.457 2.696 20 30 FFEDHM C=CCCCCCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588596804 1080117073 /nfs/dbraw/zinc/11/70/73/1080117073.db2.gz ZQPCFYRLFYWKRB-QGZVFWFLSA-N -1 3 370.457 2.696 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCC(OC)CC1 ZINC001588639433 1080132117 /nfs/dbraw/zinc/13/21/17/1080132117.db2.gz QZTMDVGXALYKOZ-UHFFFAOYSA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCC(OC)CC1 ZINC001588639433 1080132121 /nfs/dbraw/zinc/13/21/21/1080132121.db2.gz QZTMDVGXALYKOZ-UHFFFAOYSA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)CC(F)(F)F ZINC001588639541 1080132240 /nfs/dbraw/zinc/13/22/40/1080132240.db2.gz SUMFAGCQPJIZBA-NSHDSACASA-N -1 3 353.348 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)CC(F)(F)F ZINC001588639541 1080132245 /nfs/dbraw/zinc/13/22/45/1080132245.db2.gz SUMFAGCQPJIZBA-NSHDSACASA-N -1 3 353.348 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(F)(F)CC1 ZINC001588640095 1080133060 /nfs/dbraw/zinc/13/30/60/1080133060.db2.gz JZXYQBPVARXNDL-UHFFFAOYSA-N -1 3 362.384 2.706 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(F)(F)CC1 ZINC001588640095 1080133065 /nfs/dbraw/zinc/13/30/65/1080133065.db2.gz JZXYQBPVARXNDL-UHFFFAOYSA-N -1 3 362.384 2.706 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](OC)[C@@H](C)CC ZINC001588642133 1080135870 /nfs/dbraw/zinc/13/58/70/1080135870.db2.gz UTSSZYHWAPEEOH-YOEHRIQHSA-N -1 3 372.473 2.625 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](OC)[C@@H](C)CC ZINC001588642133 1080135873 /nfs/dbraw/zinc/13/58/73/1080135873.db2.gz UTSSZYHWAPEEOH-YOEHRIQHSA-N -1 3 372.473 2.625 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnn1C1CCC1 ZINC001588647637 1080136881 /nfs/dbraw/zinc/13/68/81/1080136881.db2.gz ANLNEUJWNGZNGM-UHFFFAOYSA-N -1 3 363.425 2.617 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnn1C1CCC1 ZINC001588647637 1080136886 /nfs/dbraw/zinc/13/68/86/1080136886.db2.gz ANLNEUJWNGZNGM-UHFFFAOYSA-N -1 3 363.425 2.617 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2nccnc2c1 ZINC001588648630 1080138047 /nfs/dbraw/zinc/13/80/47/1080138047.db2.gz RLWWOKHMBGSNPG-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2nccnc2c1 ZINC001588648630 1080138051 /nfs/dbraw/zinc/13/80/51/1080138051.db2.gz RLWWOKHMBGSNPG-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnn1[C@H](C)CC ZINC001588647671 1080138256 /nfs/dbraw/zinc/13/82/56/1080138256.db2.gz BLGAYHHVEOYDTP-CQSZACIVSA-N -1 3 365.441 2.863 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnn1[C@H](C)CC ZINC001588647671 1080138260 /nfs/dbraw/zinc/13/82/60/1080138260.db2.gz BLGAYHHVEOYDTP-CQSZACIVSA-N -1 3 365.441 2.863 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1[N+](=O)[O-] ZINC001588649084 1080140136 /nfs/dbraw/zinc/14/01/36/1080140136.db2.gz ZFSKKHRPCMVZQV-UHFFFAOYSA-N -1 3 364.365 2.603 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1[N+](=O)[O-] ZINC001588649084 1080140140 /nfs/dbraw/zinc/14/01/40/1080140140.db2.gz ZFSKKHRPCMVZQV-UHFFFAOYSA-N -1 3 364.365 2.603 20 30 FFEDHM C=C[C@@H](N[C@H](C)c1ccc(Br)cc1OCCCO)C(=O)[O-] ZINC001588692448 1080158555 /nfs/dbraw/zinc/15/85/55/1080158555.db2.gz BTUBPTUJBCXDDH-ZWNOBZJWSA-N -1 3 358.232 2.500 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cscc2-c2nnn[n-]2)c1C ZINC001588703313 1080161684 /nfs/dbraw/zinc/16/16/84/1080161684.db2.gz NFLSWNKWBHVWRH-UHFFFAOYSA-N -1 3 371.422 2.572 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cscc2-c2nn[n-]n2)c1C ZINC001588703313 1080161691 /nfs/dbraw/zinc/16/16/91/1080161691.db2.gz NFLSWNKWBHVWRH-UHFFFAOYSA-N -1 3 371.422 2.572 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccccc1-c1nnn[n-]1 ZINC001588776581 1080190904 /nfs/dbraw/zinc/19/09/04/1080190904.db2.gz USEXAVYXGISCET-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccccc1-c1nn[n-]n1 ZINC001588776581 1080190909 /nfs/dbraw/zinc/19/09/09/1080190909.db2.gz USEXAVYXGISCET-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588937308 1080273391 /nfs/dbraw/zinc/27/33/91/1080273391.db2.gz WCZPVLHGYOKAMP-SNVBAGLBSA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588937308 1080273396 /nfs/dbraw/zinc/27/33/96/1080273396.db2.gz WCZPVLHGYOKAMP-SNVBAGLBSA-N -1 3 367.344 2.941 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC001589035977 1080317337 /nfs/dbraw/zinc/31/73/37/1080317337.db2.gz FYAUMUKSHKYKDO-UHFFFAOYSA-N -1 3 358.405 2.871 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC001589035977 1080317339 /nfs/dbraw/zinc/31/73/39/1080317339.db2.gz FYAUMUKSHKYKDO-UHFFFAOYSA-N -1 3 358.405 2.871 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001589307121 1080475178 /nfs/dbraw/zinc/47/51/78/1080475178.db2.gz HQOIEXWCNUBKRT-UHFFFAOYSA-N -1 3 352.423 2.551 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001589307121 1080475180 /nfs/dbraw/zinc/47/51/80/1080475180.db2.gz HQOIEXWCNUBKRT-UHFFFAOYSA-N -1 3 352.423 2.551 20 30 FFEDHM CC(C)(NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001589321771 1080482143 /nfs/dbraw/zinc/48/21/43/1080482143.db2.gz OZVJLMZLVIMZSM-UHFFFAOYSA-N -1 3 363.381 2.671 20 30 FFEDHM CC(C)(NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001589321771 1080482145 /nfs/dbraw/zinc/48/21/45/1080482145.db2.gz OZVJLMZLVIMZSM-UHFFFAOYSA-N -1 3 363.381 2.671 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC001589335074 1080487090 /nfs/dbraw/zinc/48/70/90/1080487090.db2.gz MXBPYIUAKUYVMI-ORAYPTAESA-N -1 3 352.390 2.828 20 30 FFEDHM CC(C)Cc1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC001589664990 1080658659 /nfs/dbraw/zinc/65/86/59/1080658659.db2.gz GDBWNSILUJOKNR-UHFFFAOYSA-N -1 3 353.411 2.646 20 30 FFEDHM CC(C)Cc1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC001589664990 1080658660 /nfs/dbraw/zinc/65/86/60/1080658660.db2.gz GDBWNSILUJOKNR-UHFFFAOYSA-N -1 3 353.411 2.646 20 30 FFEDHM C[C@@H](CC#N)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001589787360 1080741424 /nfs/dbraw/zinc/74/14/24/1080741424.db2.gz POOXIKSCDCZWLA-ZDUSSCGKSA-N -1 3 362.393 2.934 20 30 FFEDHM C[C@@H](CC#N)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001589787360 1080741428 /nfs/dbraw/zinc/74/14/28/1080741428.db2.gz POOXIKSCDCZWLA-ZDUSSCGKSA-N -1 3 362.393 2.934 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC001589894455 1080840800 /nfs/dbraw/zinc/84/08/00/1080840800.db2.gz OOKXISACMOODRG-GUYCJALGSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC001589894455 1080840808 /nfs/dbraw/zinc/84/08/08/1080840808.db2.gz OOKXISACMOODRG-GUYCJALGSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C#N)cc1 ZINC001589942910 1080885869 /nfs/dbraw/zinc/88/58/69/1080885869.db2.gz IMWVKMYQDYTTMY-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C#N)cc1 ZINC001589942910 1080885877 /nfs/dbraw/zinc/88/58/77/1080885877.db2.gz IMWVKMYQDYTTMY-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC001590035847 1080961133 /nfs/dbraw/zinc/96/11/33/1080961133.db2.gz KPOZFOOALPWNGO-MGPLVRAMSA-N -1 3 362.434 2.541 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)cc1F ZINC001590041976 1080967366 /nfs/dbraw/zinc/96/73/66/1080967366.db2.gz GZTALNLNVCJVFD-NSHDSACASA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)cc1F ZINC001590041976 1080967372 /nfs/dbraw/zinc/96/73/72/1080967372.db2.gz GZTALNLNVCJVFD-NSHDSACASA-N -1 3 350.357 2.711 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000009689987 207281073 /nfs/dbraw/zinc/28/10/73/207281073.db2.gz QEDOSGIYZYMTAC-NSHDSACASA-N -1 3 359.376 2.952 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000272352751 252017536 /nfs/dbraw/zinc/01/75/36/252017536.db2.gz AHCISNLGTDTHER-CQSZACIVSA-N -1 3 354.815 2.861 20 30 FFEDHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[nH]1 ZINC000277687423 256227145 /nfs/dbraw/zinc/22/71/45/256227145.db2.gz CPTRWDRWBDQKKK-MFKMUULPSA-N -1 3 370.457 2.717 20 30 FFEDHM CC[C@@H](C)c1nc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1 ZINC000277687423 256227147 /nfs/dbraw/zinc/22/71/47/256227147.db2.gz CPTRWDRWBDQKKK-MFKMUULPSA-N -1 3 370.457 2.717 20 30 FFEDHM C[C@@]1(C[C@@H]2CCCN2c2ccc(C(F)(F)F)c(C#N)c2)NC(=O)[N-]C1=O ZINC000286293006 257029916 /nfs/dbraw/zinc/02/99/16/257029916.db2.gz HTCZHGCYMDQWHZ-LRDDRELGSA-N -1 3 366.343 2.534 20 30 FFEDHM Cc1oc(C(C)C)nc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000287401200 257087407 /nfs/dbraw/zinc/08/74/07/257087407.db2.gz JDIUWNTZGMMCTF-UHFFFAOYSA-N -1 3 350.382 2.870 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(N(C)C)cn1 ZINC000290312899 257325256 /nfs/dbraw/zinc/32/52/56/257325256.db2.gz DHPZPNUNPHPWOF-CQSZACIVSA-N -1 3 368.437 2.974 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C#N)cc2Cl)CCCC1 ZINC000290571280 257342661 /nfs/dbraw/zinc/34/26/61/257342661.db2.gz UFZGYRJAABUYIT-UHFFFAOYSA-N -1 3 356.831 2.687 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000329946910 258151409 /nfs/dbraw/zinc/15/14/09/258151409.db2.gz YCMWDUYPDOAQOL-FQEVSTJZSA-N -1 3 357.454 2.628 20 30 FFEDHM CSc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000055747080 506840062 /nfs/dbraw/zinc/84/00/62/506840062.db2.gz LHSTXWVOXXOBJT-UHFFFAOYSA-N -1 3 355.463 2.834 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)CCCC2)no1 ZINC000056054881 506919837 /nfs/dbraw/zinc/91/98/37/506919837.db2.gz VRVLGWWJCMGQAU-UHFFFAOYSA-N -1 3 366.830 2.651 20 30 FFEDHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4ccc(C#N)cc4)cs3)nn21 ZINC000014497834 506992484 /nfs/dbraw/zinc/99/24/84/506992484.db2.gz ULEUQWMTCGUFPE-UHFFFAOYSA-N -1 3 361.390 2.680 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052512788 507811608 /nfs/dbraw/zinc/81/16/08/507811608.db2.gz YOOHLUHUEAAXJR-GOSISDBHSA-N -1 3 363.417 2.527 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000079183571 507941374 /nfs/dbraw/zinc/94/13/74/507941374.db2.gz IXIRYWAIHMNRDD-UHFFFAOYSA-N -1 3 355.438 2.543 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000092353545 508064505 /nfs/dbraw/zinc/06/45/05/508064505.db2.gz DYCRCLQYULYDKA-UHFFFAOYSA-N -1 3 355.416 2.744 20 30 FFEDHM N#Cc1ccc2nc(N3CCN(C(=O)c4ccccc4[O-])CC3)ccc2c1 ZINC000092890616 508106414 /nfs/dbraw/zinc/10/64/14/508106414.db2.gz RWKIQFVGWIKDHL-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM C=CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000076650603 508236180 /nfs/dbraw/zinc/23/61/80/508236180.db2.gz QBVLTUATRPWZMF-UHFFFAOYSA-N -1 3 365.430 2.993 20 30 FFEDHM C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccccc1 ZINC000133669642 508432832 /nfs/dbraw/zinc/43/28/32/508432832.db2.gz JZHZOQRJOUSEPD-MRXNPFEDSA-N -1 3 362.451 2.933 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1 ZINC000127581844 508472132 /nfs/dbraw/zinc/47/21/32/508472132.db2.gz DFYCVRCVEAVOFV-DZGCQCFKSA-N -1 3 372.899 2.545 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000156824715 508482905 /nfs/dbraw/zinc/48/29/05/508482905.db2.gz CKYSZQCWCAHOPX-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000127835989 508508171 /nfs/dbraw/zinc/50/81/71/508508171.db2.gz NWSNCVCVPPUKFU-SWLSCSKDSA-N -1 3 356.875 2.821 20 30 FFEDHM N#Cc1ccccc1NC(=O)CCSc1n[n-]c(-c2ccccn2)n1 ZINC000117115727 508580040 /nfs/dbraw/zinc/58/00/40/508580040.db2.gz IXXBAQZRMNNCHM-UHFFFAOYSA-N -1 3 350.407 2.859 20 30 FFEDHM Cc1cccc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000157744491 508605885 /nfs/dbraw/zinc/60/58/85/508605885.db2.gz FCTAPQIOSURYIY-UHFFFAOYSA-N -1 3 359.407 2.989 20 30 FFEDHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 ZINC000157824426 508618193 /nfs/dbraw/zinc/61/81/93/508618193.db2.gz VGHKMZLZJZIRCV-JTQLQIEISA-N -1 3 365.436 2.746 20 30 FFEDHM N#Cc1cc(F)ccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000128749029 508638475 /nfs/dbraw/zinc/63/84/75/508638475.db2.gz HWRPSLFYPCXRDD-UHFFFAOYSA-N -1 3 359.835 2.803 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1ccccc1-n1cc(Br)cn1 ZINC000123119328 508639321 /nfs/dbraw/zinc/63/93/21/508639321.db2.gz IXYQFRWUSNIUET-UHFFFAOYSA-N -1 3 356.245 2.953 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2ccccc2Br)c1 ZINC000159073007 508789057 /nfs/dbraw/zinc/78/90/57/508789057.db2.gz PTJNGHVWODSMOX-UHFFFAOYSA-N -1 3 356.245 2.953 20 30 FFEDHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000124252022 508804134 /nfs/dbraw/zinc/80/41/34/508804134.db2.gz IWDOFQZRKYHQJR-QZTJIDSGSA-N -1 3 373.497 2.848 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c(F)c1 ZINC000151166014 508970325 /nfs/dbraw/zinc/97/03/25/508970325.db2.gz RELOUVWKUNICJT-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156020837 509111582 /nfs/dbraw/zinc/11/15/82/509111582.db2.gz OBPFVOKIQXQOOK-CYBMUJFWSA-N -1 3 359.407 2.766 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000156191961 509142342 /nfs/dbraw/zinc/14/23/42/509142342.db2.gz GWALXDPPMWAUCC-CYBMUJFWSA-N -1 3 359.407 2.939 20 30 FFEDHM N#Cc1ccc(Oc2cccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)c2)cc1 ZINC000179062128 509245311 /nfs/dbraw/zinc/24/53/11/509245311.db2.gz VOYBIJFALUKHPW-UHFFFAOYSA-N -1 3 372.384 2.632 20 30 FFEDHM CCOC(=O)[C@@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)CCCC#N ZINC000185985538 509465013 /nfs/dbraw/zinc/46/50/13/509465013.db2.gz GIUSKBIHXLMQPP-GOSISDBHSA-N -1 3 374.462 2.537 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000192834624 509664670 /nfs/dbraw/zinc/66/46/70/509664670.db2.gz KGOQIVDMSJILET-UHFFFAOYSA-N -1 3 369.162 2.802 20 30 FFEDHM CCS[C@H]1CCC[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000176738014 509665943 /nfs/dbraw/zinc/66/59/43/509665943.db2.gz QTJLSAOQRRHEKD-CABCVRRESA-N -1 3 361.511 2.977 20 30 FFEDHM COc1ccc([C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCCC2)cc1 ZINC000189837747 509779044 /nfs/dbraw/zinc/77/90/44/509779044.db2.gz SXDYLQHNACOPCC-LJQANCHMSA-N -1 3 365.433 2.839 20 30 FFEDHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)C#N)cc1Cl ZINC000176954710 509783695 /nfs/dbraw/zinc/78/36/95/509783695.db2.gz ATNCYMSBPNMIOA-SSDOTTSWSA-N -1 3 367.652 2.549 20 30 FFEDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000245777427 510141367 /nfs/dbraw/zinc/14/13/67/510141367.db2.gz BFWOBWMCGQMYGM-ZSDNHXBWSA-N -1 3 374.915 2.570 20 30 FFEDHM C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000190615041 510240741 /nfs/dbraw/zinc/24/07/41/510240741.db2.gz VDGYFNKBSUOXGV-FZKQIMNGSA-N -1 3 353.397 2.855 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000174743623 510286381 /nfs/dbraw/zinc/28/63/81/510286381.db2.gz RXCDMFOKWNXOJP-UHFFFAOYSA-N -1 3 358.419 2.688 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000177995574 510364723 /nfs/dbraw/zinc/36/47/23/510364723.db2.gz IPIUSZWPNFEKPQ-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM Cc1ccc(N2CCC[C@H](/N=C/c3c([O-])c(C)ncc3CO)C2=O)cc1 ZINC000266023177 510366108 /nfs/dbraw/zinc/36/61/08/510366108.db2.gz PVDOEVUVENRXPT-QPHXDFOYSA-N -1 3 353.422 2.511 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1nnc2n1CCCCC2 ZINC000269661997 510503711 /nfs/dbraw/zinc/50/37/11/510503711.db2.gz LRLRUEYFKSWQAA-HNNXBMFYSA-N -1 3 373.482 2.614 20 30 FFEDHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)o1 ZINC000195215222 510720114 /nfs/dbraw/zinc/72/01/14/510720114.db2.gz KZHFGSMNKKOPPI-UHFFFAOYSA-N -1 3 364.448 2.888 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000330137505 510922894 /nfs/dbraw/zinc/92/28/94/510922894.db2.gz UXLKFGVVGXLSIH-CYBMUJFWSA-N -1 3 368.441 2.854 20 30 FFEDHM C=CCCN(C)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1 ZINC000276346116 510934611 /nfs/dbraw/zinc/93/46/11/510934611.db2.gz CVFYZYNOQRSPJT-UHFFFAOYSA-N -1 3 365.455 2.516 20 30 FFEDHM O=C(N[C@@H]1CCCS(=O)(=O)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000330235239 510944001 /nfs/dbraw/zinc/94/40/01/510944001.db2.gz TUSJSUBXDABLOG-MRVPVSSYSA-N -1 3 359.860 2.673 20 30 FFEDHM CCCS(=O)(=O)N1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000330830231 511020830 /nfs/dbraw/zinc/02/08/30/511020830.db2.gz UEDUNHCPYMRRLV-UHFFFAOYSA-N -1 3 360.863 2.554 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2cccc(Br)c2)c1[O-] ZINC000282613011 511045507 /nfs/dbraw/zinc/04/55/07/511045507.db2.gz HPMRJGLOUKRTCN-CYBCDMBKSA-N -1 3 365.227 2.503 20 30 FFEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000282623058 511049583 /nfs/dbraw/zinc/04/95/83/511049583.db2.gz SDKWPNJPMJPMES-UHFFFAOYSA-N -1 3 370.858 2.735 20 30 FFEDHM C#CCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000291296362 511164167 /nfs/dbraw/zinc/16/41/67/511164167.db2.gz QAUOPNBSPIJIGX-LBPRGKRZSA-N -1 3 355.221 2.527 20 30 FFEDHM C#CCn1ccc(CN(CC)Cc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000279688880 511178222 /nfs/dbraw/zinc/17/82/22/511178222.db2.gz HNBSVYIJLRZOEJ-UHFFFAOYSA-N -1 3 351.406 2.659 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccc2ccccc2c1 ZINC000295089625 511278811 /nfs/dbraw/zinc/27/88/11/511278811.db2.gz FVHRJABQKIRQEH-KRWDZBQOSA-N -1 3 374.462 2.913 20 30 FFEDHM C#C[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C(C)(C)C ZINC000291808115 511346850 /nfs/dbraw/zinc/34/68/50/511346850.db2.gz XZDRYLJGRJLRCQ-MRXNPFEDSA-N -1 3 355.394 2.719 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2O[C@@H](C)C#N)c([O-])c1 ZINC000273478649 511527817 /nfs/dbraw/zinc/52/78/17/511527817.db2.gz KEXRMAPAZGHHLY-AWEZNQCLSA-N -1 3 367.405 2.750 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc(N3CCOC3=O)c2)c1[O-] ZINC000299275381 511574286 /nfs/dbraw/zinc/57/42/86/511574286.db2.gz QXWKJKVCYKOIDB-SQWLXVSWSA-N -1 3 355.394 2.725 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1[N+](=O)[O-] ZINC000325669266 511849744 /nfs/dbraw/zinc/84/97/44/511849744.db2.gz BSYQEGZOJGVZFA-UHFFFAOYSA-N -1 3 367.770 2.929 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000281740053 511949352 /nfs/dbraw/zinc/94/93/52/511949352.db2.gz GWZDZVODPFVSCL-DOMZBBRYSA-N -1 3 369.259 2.935 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000274817782 511951568 /nfs/dbraw/zinc/95/15/68/511951568.db2.gz VNJGYRFIWGHJRV-ZDUSSCGKSA-N -1 3 360.863 2.726 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000293541295 512002113 /nfs/dbraw/zinc/00/21/13/512002113.db2.gz URGZBVCIYMDREA-LBPRGKRZSA-N -1 3 351.428 2.692 20 30 FFEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000398083825 512953829 /nfs/dbraw/zinc/95/38/29/512953829.db2.gz LCZNCHBLRGNBRN-DZGCQCFKSA-N -1 3 361.492 2.561 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000446784517 513337705 /nfs/dbraw/zinc/33/77/05/513337705.db2.gz IGNBUCQEMVCLGW-UHFFFAOYSA-N -1 3 356.419 2.753 20 30 FFEDHM N#Cc1cccc(Cl)c1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000440660001 513374005 /nfs/dbraw/zinc/37/40/05/513374005.db2.gz BTZIXKCFHATUSN-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@@H](C)C3)nn1 ZINC000415760093 513412292 /nfs/dbraw/zinc/41/22/92/513412292.db2.gz JRWYCNGNNNHJPK-GHMZBOCLSA-N -1 3 359.455 2.796 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-n4cncn4)c(C)c3)nc1-2 ZINC000429575257 513414525 /nfs/dbraw/zinc/41/45/25/513414525.db2.gz UWZNYJJIJSNXRM-CQSZACIVSA-N -1 3 357.377 2.646 20 30 FFEDHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435433369 513584519 /nfs/dbraw/zinc/58/45/19/513584519.db2.gz RUSUPGRYGCDOKU-ZFWWWQNUSA-N -1 3 361.492 2.734 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC000435436840 513588347 /nfs/dbraw/zinc/58/83/47/513588347.db2.gz HNQVMTBGXXHRQC-HOCLYGCPSA-N -1 3 366.439 2.957 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000435579285 513624029 /nfs/dbraw/zinc/62/40/29/513624029.db2.gz KEIINEOVUGANCF-QMTHXVAHSA-N -1 3 360.819 2.508 20 30 FFEDHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000447927769 513625730 /nfs/dbraw/zinc/62/57/30/513625730.db2.gz FXJKMSLXAQTFLC-CYBMUJFWSA-N -1 3 359.875 3.000 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000435598868 513632066 /nfs/dbraw/zinc/63/20/66/513632066.db2.gz QHWSKYFNNSNTGW-SKDRFNHKSA-N -1 3 366.302 2.770 20 30 FFEDHM C=CCC1(C(=O)N=c2nc(-c3ccccc3Cl)[n-]n2C)CCOCC1 ZINC000425631694 513670724 /nfs/dbraw/zinc/67/07/24/513670724.db2.gz SWXUSRLZGSMVOH-UHFFFAOYSA-N -1 3 360.845 2.869 20 30 FFEDHM CCO[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000451461029 513764057 /nfs/dbraw/zinc/76/40/57/513764057.db2.gz SQULGNKHHJMFRW-SFHVURJKSA-N -1 3 362.426 2.895 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000416487941 513798951 /nfs/dbraw/zinc/79/89/51/513798951.db2.gz MRKUCKGWOVQYNK-UHFFFAOYSA-N -1 3 361.236 2.881 20 30 FFEDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416495250 513802094 /nfs/dbraw/zinc/80/20/94/513802094.db2.gz KWZHSWCNVOTHLU-CHWSQXEVSA-N -1 3 373.272 2.557 20 30 FFEDHM C=CCC1(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CCCCC1 ZINC000448643807 513825472 /nfs/dbraw/zinc/82/54/72/513825472.db2.gz ZUYYPPSOKRSTTF-UHFFFAOYSA-N -1 3 356.513 2.799 20 30 FFEDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000443032699 513848565 /nfs/dbraw/zinc/84/85/65/513848565.db2.gz BULDRGIUKDLXAH-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccsc1 ZINC000443085791 513866736 /nfs/dbraw/zinc/86/67/36/513866736.db2.gz CZHOKWQQLSMPNV-AWEZNQCLSA-N -1 3 369.899 2.854 20 30 FFEDHM CCOc1ccncc1S(=O)(=O)[N-][C@@H]1CCCc2cc(C#N)ccc21 ZINC000416666450 513896832 /nfs/dbraw/zinc/89/68/32/513896832.db2.gz WVTLQRBGFIODMP-MRXNPFEDSA-N -1 3 357.435 2.708 20 30 FFEDHM C=C[C@H](C)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436580746 513904467 /nfs/dbraw/zinc/90/44/67/513904467.db2.gz CVPIGPQMTXUSLF-ZDUSSCGKSA-N -1 3 364.401 2.801 20 30 FFEDHM COc1cc([C@H](C#N)NC(=O)c2ccc(C)cc2[O-])cc(OC)c1OC ZINC000436605818 513915124 /nfs/dbraw/zinc/91/51/24/513915124.db2.gz LSTCOBRIJIGUCJ-AWEZNQCLSA-N -1 3 356.378 2.721 20 30 FFEDHM CC(C)(C#N)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436714021 513954265 /nfs/dbraw/zinc/95/42/65/513954265.db2.gz DSKNERURHGFSJQ-GOSISDBHSA-N -1 3 365.433 2.919 20 30 FFEDHM CC#CCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436985598 514063750 /nfs/dbraw/zinc/06/37/50/514063750.db2.gz CYILGEZPPXXRFV-IBGZPJMESA-N -1 3 350.418 2.783 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)CCCCC1 ZINC000451932257 514079612 /nfs/dbraw/zinc/07/96/12/514079612.db2.gz AWLTVZKJQTYOLA-UHFFFAOYSA-N -1 3 370.540 2.984 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414438905 514116923 /nfs/dbraw/zinc/11/69/23/514116923.db2.gz DWIQEHQITOUQCN-LLVKDONJSA-N -1 3 365.333 2.830 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)cn1 ZINC000432270662 514143756 /nfs/dbraw/zinc/14/37/56/514143756.db2.gz NMKBODAHTGCJOW-OAHLLOKOSA-N -1 3 369.368 2.968 20 30 FFEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427785214 514313697 /nfs/dbraw/zinc/31/36/97/514313697.db2.gz AJIHDTBHNAIDQX-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000428269863 514437149 /nfs/dbraw/zinc/43/71/49/514437149.db2.gz RJTCROYZEPFHGU-LBPRGKRZSA-N -1 3 355.341 2.925 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Br)s1 ZINC000428390256 514463937 /nfs/dbraw/zinc/46/39/37/514463937.db2.gz NZCBIXUIROSBDK-MRVPVSSYSA-N -1 3 372.269 2.817 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000452778131 514493196 /nfs/dbraw/zinc/49/31/96/514493196.db2.gz WZZQNLPJSFHKHM-UHFFFAOYSA-N -1 3 368.480 2.762 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433442218 514494179 /nfs/dbraw/zinc/49/41/79/514494179.db2.gz ZMIYKAQVHXUYMC-OAHLLOKOSA-N -1 3 373.453 2.892 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000452817577 514505998 /nfs/dbraw/zinc/50/59/98/514505998.db2.gz CQJDOJRCGIWHHN-YJBOKZPZSA-N -1 3 359.470 2.776 20 30 FFEDHM C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cnc(C)[n-]c1=O ZINC000475175157 514579522 /nfs/dbraw/zinc/57/95/22/514579522.db2.gz QICWCOOQCXJGOG-UHFFFAOYSA-N -1 3 368.437 2.597 20 30 FFEDHM C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n[n-]c1=O ZINC000470833647 514632513 /nfs/dbraw/zinc/63/25/13/514632513.db2.gz XDHXYOMHMASCMS-SECBINFHSA-N -1 3 363.830 2.814 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc(CCC(C)C)[nH][nH]1 ZINC000471418955 514881623 /nfs/dbraw/zinc/88/16/23/514881623.db2.gz NZYRVGYISJYWNV-UHFFFAOYSA-N -1 3 355.442 2.581 20 30 FFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1csc(C(=O)OC)c1 ZINC000462125724 514900184 /nfs/dbraw/zinc/90/01/84/514900184.db2.gz BDQKRIXDQXFNJM-UHFFFAOYSA-N -1 3 367.448 2.578 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cc1C#N ZINC000489808555 514981895 /nfs/dbraw/zinc/98/18/95/514981895.db2.gz UHICPYPUFBTFKI-CQSZACIVSA-N -1 3 373.331 2.825 20 30 FFEDHM C=CCc1cc(CNC(=O)NCc2ncccc2[O-])cc(OC)c1OC ZINC000471769373 515004868 /nfs/dbraw/zinc/00/48/68/515004868.db2.gz HFOSMJQABWTDOG-UHFFFAOYSA-N -1 3 357.410 2.532 20 30 FFEDHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503439726 515032843 /nfs/dbraw/zinc/03/28/43/515032843.db2.gz WDLJAFZBWUJDHY-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)COc2ccc(C#N)cc2)[n-]1 ZINC000485677548 515137657 /nfs/dbraw/zinc/13/76/57/515137657.db2.gz ZNDOJQBKGTUTQK-UHFFFAOYSA-N -1 3 370.409 2.818 20 30 FFEDHM CCCCc1nc(NC(=O)COc2ccc(C#N)cc2)c(C(=O)OCC)[n-]1 ZINC000485677548 515137666 /nfs/dbraw/zinc/13/76/66/515137666.db2.gz ZNDOJQBKGTUTQK-UHFFFAOYSA-N -1 3 370.409 2.818 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000468113770 515229430 /nfs/dbraw/zinc/22/94/30/515229430.db2.gz RJQZYSKVGUMFDK-LLVKDONJSA-N -1 3 370.438 2.679 20 30 FFEDHM C=CCOc1cccc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000481339843 515296257 /nfs/dbraw/zinc/29/62/57/515296257.db2.gz NLMWRZVXTLPCCV-FQEVSTJZSA-N -1 3 365.389 2.558 20 30 FFEDHM C=CCCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000468389536 515335774 /nfs/dbraw/zinc/33/57/74/515335774.db2.gz IPRBUGPFESULNI-UHFFFAOYSA-N -1 3 358.442 2.727 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000491573104 515454558 /nfs/dbraw/zinc/45/45/58/515454558.db2.gz FTAZQVGAGSYASC-UHFFFAOYSA-N -1 3 372.812 2.599 20 30 FFEDHM C=CCN(C(=O)c1csc(=O)[n-]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000473163795 515522705 /nfs/dbraw/zinc/52/27/05/515522705.db2.gz JJHXRKYLRBUZMY-OAHLLOKOSA-N -1 3 360.435 2.651 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)c1 ZINC000500674062 515811073 /nfs/dbraw/zinc/81/10/73/515811073.db2.gz YVZSDDJSJPYSIE-UHFFFAOYSA-N -1 3 370.409 2.503 20 30 FFEDHM COC(=O)c1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1C ZINC000495299205 516131362 /nfs/dbraw/zinc/13/13/62/516131362.db2.gz MBIXYMGNYCQOOQ-LLVKDONJSA-N -1 3 351.284 2.716 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 ZINC000461038348 516309486 /nfs/dbraw/zinc/30/94/86/516309486.db2.gz PAXOGZDMRUUBIH-CYBMUJFWSA-N -1 3 373.434 2.644 20 30 FFEDHM C=CCN(C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21)C1CC1 ZINC000540190872 516465667 /nfs/dbraw/zinc/46/56/67/516465667.db2.gz JPHISZZODGCCHJ-UHFFFAOYSA-N -1 3 365.389 2.783 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCN(C)C)C1CCCC1 ZINC000513104308 516476162 /nfs/dbraw/zinc/47/61/62/516476162.db2.gz GOFREPUXEMJIBO-UHFFFAOYSA-N -1 3 358.486 2.541 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000524284980 516686463 /nfs/dbraw/zinc/68/64/63/516686463.db2.gz KMTPEDFJQGHECM-CYBMUJFWSA-N -1 3 355.442 2.863 20 30 FFEDHM CN(C)c1cc(C#N)cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000551585125 516774531 /nfs/dbraw/zinc/77/45/31/516774531.db2.gz VXMUKMVDOMKOFQ-UHFFFAOYSA-N -1 3 367.359 2.967 20 30 FFEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C12CCCC2 ZINC000525180561 516947639 /nfs/dbraw/zinc/94/76/39/516947639.db2.gz DOQIJTFYUDBREO-HOTGVXAUSA-N -1 3 352.431 2.713 20 30 FFEDHM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000558871458 516981408 /nfs/dbraw/zinc/98/14/08/516981408.db2.gz OVXCFKGWYMDSOW-ZDUSSCGKSA-N -1 3 358.283 2.566 20 30 FFEDHM CCN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000525260218 516983241 /nfs/dbraw/zinc/98/32/41/516983241.db2.gz GLYDNVODYRGAMF-AWEZNQCLSA-N -1 3 351.406 2.603 20 30 FFEDHM C[C@@]1(c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)NC(=O)[N-]C1=O ZINC000537483490 517203483 /nfs/dbraw/zinc/20/34/83/517203483.db2.gz UEICJQRKXAGQFF-FQEVSTJZSA-N -1 3 374.400 2.549 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000559551789 517314305 /nfs/dbraw/zinc/31/43/05/517314305.db2.gz MPYKXKDEQMHOPE-OAHLLOKOSA-N -1 3 353.875 2.507 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000553079597 517513764 /nfs/dbraw/zinc/51/37/64/517513764.db2.gz XRHOBYANZWSWGJ-UHFFFAOYSA-N -1 3 361.394 2.713 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000530155046 517595951 /nfs/dbraw/zinc/59/59/51/517595951.db2.gz YQISELOIRQTSJO-VIFPVBQESA-N -1 3 352.334 2.564 20 30 FFEDHM CC(C)(C)[C@@H](C#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000553527150 517764565 /nfs/dbraw/zinc/76/45/65/517764565.db2.gz QGHKKXOHADWUMX-CQSZACIVSA-N -1 3 372.450 2.698 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)s1 ZINC000549910976 517774192 /nfs/dbraw/zinc/77/41/92/517774192.db2.gz QFCDKWJDTZIMGW-UHFFFAOYSA-N -1 3 361.370 2.555 20 30 FFEDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000543167604 517942782 /nfs/dbraw/zinc/94/27/82/517942782.db2.gz WYQVXBQGNISWQQ-AWEZNQCLSA-N -1 3 368.842 2.731 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(C)C)C1(CO)CCC1 ZINC000517058709 518004946 /nfs/dbraw/zinc/00/49/46/518004946.db2.gz JEGZXESYPAJADM-GOSISDBHSA-N -1 3 359.470 2.512 20 30 FFEDHM Cc1ccc([O-])c(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000517106191 518028734 /nfs/dbraw/zinc/02/87/34/518028734.db2.gz OHVMADHRMZVVAJ-UHFFFAOYSA-N -1 3 354.385 2.962 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000563725819 518093677 /nfs/dbraw/zinc/09/36/77/518093677.db2.gz ODOBNHMSJGJEOX-BTDLBPIBSA-N -1 3 364.373 2.778 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000581732688 518430412 /nfs/dbraw/zinc/43/04/12/518430412.db2.gz GTFAUKCZXHGGID-SJCJKPOMSA-N -1 3 368.430 2.753 20 30 FFEDHM C=CCC(C)(C)c1noc(-c2cnc3c(c2)c(=O)[n-]c(=O)n3C2CC2)n1 ZINC000567251392 518430688 /nfs/dbraw/zinc/43/06/88/518430688.db2.gz KAGKFNMTJRUILD-UHFFFAOYSA-N -1 3 353.382 2.736 20 30 FFEDHM CC1(C2([N-]S(=O)(=O)c3cccc(Br)c3C#N)CC2)CC1 ZINC000578955446 518450447 /nfs/dbraw/zinc/45/04/47/518450447.db2.gz HQNBBIMQRYWXLR-UHFFFAOYSA-N -1 3 355.257 2.932 20 30 FFEDHM N#CCC1(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000578955156 518451326 /nfs/dbraw/zinc/45/13/26/518451326.db2.gz YBAORLXLVWAXAN-UHFFFAOYSA-N -1 3 366.830 2.503 20 30 FFEDHM CC(C)(C)CCOc1cnccc1C[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000579532107 518725324 /nfs/dbraw/zinc/72/53/24/518725324.db2.gz RBSJWZDEVMIDNC-UHFFFAOYSA-N -1 3 374.466 2.642 20 30 FFEDHM CC[C@@]1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000582634320 518848197 /nfs/dbraw/zinc/84/81/97/518848197.db2.gz PGSGJNXKHOMLIP-FQEVSTJZSA-N -1 3 370.474 2.856 20 30 FFEDHM Cc1csc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C#N ZINC000570940247 518853802 /nfs/dbraw/zinc/85/38/02/518853802.db2.gz ROYJUBLCIADXRE-UHFFFAOYSA-N -1 3 370.434 2.624 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000589230093 518959425 /nfs/dbraw/zinc/95/94/25/518959425.db2.gz AWEFUESEXJZTOW-KRWDZBQOSA-N -1 3 362.426 2.735 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)CCc1ccccc1Br ZINC000589657439 519058717 /nfs/dbraw/zinc/05/87/17/519058717.db2.gz DCWFDDKALOBRIT-ZDUSSCGKSA-N -1 3 359.289 2.849 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@@H](CC)CC#N)nc(=O)c2c1C ZINC000577646581 519185013 /nfs/dbraw/zinc/18/50/13/519185013.db2.gz PEWQNPFWTCCHEN-QWRGUYRKSA-N -1 3 362.455 2.813 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@H](CC)CC#N)nc(=O)c2c1C ZINC000577646579 519185083 /nfs/dbraw/zinc/18/50/83/519185083.db2.gz PEWQNPFWTCCHEN-GHMZBOCLSA-N -1 3 362.455 2.813 20 30 FFEDHM C=CC[C@H]1N(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCCC1(C)C ZINC000578104737 519417026 /nfs/dbraw/zinc/41/70/26/519417026.db2.gz PZCUBLYIWGTSLN-MRXNPFEDSA-N -1 3 368.474 2.697 20 30 FFEDHM C=CCOCC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000591452816 519628227 /nfs/dbraw/zinc/62/82/27/519628227.db2.gz RVEZGIHFAKOEGI-UHFFFAOYSA-N -1 3 354.179 2.541 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000594390474 519936317 /nfs/dbraw/zinc/93/63/17/519936317.db2.gz XCJJZERNNSYCFQ-INIZCTEOSA-N -1 3 357.454 2.768 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1C#N ZINC000600229540 520141372 /nfs/dbraw/zinc/14/13/72/520141372.db2.gz VINSDVTZFZNKJV-AWEZNQCLSA-N -1 3 360.483 2.518 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CO)CC1CCC1 ZINC000594773075 520149696 /nfs/dbraw/zinc/14/96/96/520149696.db2.gz RETWIOIBSQXVSE-AWEZNQCLSA-N -1 3 364.492 2.911 20 30 FFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594785593 520156402 /nfs/dbraw/zinc/15/64/02/520156402.db2.gz RJFOKJZHXJLDRB-BETUJISGSA-N -1 3 350.465 2.927 20 30 FFEDHM C[C@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000609492054 520332352 /nfs/dbraw/zinc/33/23/52/520332352.db2.gz URSZJLAPGNDOGP-GFCCVEGCSA-N -1 3 361.398 2.516 20 30 FFEDHM CC(C)(C)OC(=O)COc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000595244737 520367825 /nfs/dbraw/zinc/36/78/25/520367825.db2.gz LHPGWXOHVQAEFK-OAHLLOKOSA-N -1 3 353.378 2.687 20 30 FFEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000600668395 520385761 /nfs/dbraw/zinc/38/57/61/520385761.db2.gz MCTQKOSWFQNBIP-ZDUSSCGKSA-N -1 3 361.236 2.867 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)c1nccn1C ZINC000595382220 520440399 /nfs/dbraw/zinc/44/03/99/520440399.db2.gz DHLDYDPYJPWEAM-NSHDSACASA-N -1 3 360.464 2.854 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2)CCCCC1 ZINC000613943808 520734617 /nfs/dbraw/zinc/73/46/17/520734617.db2.gz FVELTRCBOQQQOF-HNNXBMFYSA-N -1 3 356.875 2.767 20 30 FFEDHM COc1cccc([C@H](CNC(=O)c2cc([O-])cc(C#N)c2)N2CCCC2)c1 ZINC000614293203 520895720 /nfs/dbraw/zinc/89/57/20/520895720.db2.gz BPDBSHCVGUROTF-FQEVSTJZSA-N -1 3 365.433 2.839 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCCCC1 ZINC000611025659 520952629 /nfs/dbraw/zinc/95/26/29/520952629.db2.gz UDSFLFWJSGXNCO-HNNXBMFYSA-N -1 3 370.858 2.612 20 30 FFEDHM Cc1cccc([O-])c1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000598987667 520962916 /nfs/dbraw/zinc/96/29/16/520962916.db2.gz LSQKHACGUYVNEB-KRWDZBQOSA-N -1 3 353.397 2.862 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H](CN1CCCC1)c1ccccc1 ZINC000593527781 521050482 /nfs/dbraw/zinc/05/04/82/521050482.db2.gz JTSRVRVPMBTAFK-OAHLLOKOSA-N -1 3 361.492 2.735 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000593534392 521057278 /nfs/dbraw/zinc/05/72/78/521057278.db2.gz KYUXMYGCZMVCBN-CJNGLKHVSA-N -1 3 366.439 2.957 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000593552773 521070560 /nfs/dbraw/zinc/07/05/60/521070560.db2.gz JHKVHDLXSOPWRM-UHFFFAOYSA-N -1 3 367.399 2.616 20 30 FFEDHM Cn1c2ccc(C[N-]S(=O)(=O)c3ccsc3C#N)cc2nc1C1CC1 ZINC000593592116 521095443 /nfs/dbraw/zinc/09/54/43/521095443.db2.gz FFKFKRYSXJUGEI-UHFFFAOYSA-N -1 3 372.475 2.862 20 30 FFEDHM COc1cc(F)cc(C[C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593606308 521103785 /nfs/dbraw/zinc/10/37/85/521103785.db2.gz QJKYFCFAYVOHTQ-JTQLQIEISA-N -1 3 354.428 2.677 20 30 FFEDHM N#CCCCCS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599384939 521190286 /nfs/dbraw/zinc/19/02/86/521190286.db2.gz DEGAGFCCBDAGNU-TZMCWYRMSA-N -1 3 362.373 2.534 20 30 FFEDHM Cc1c(C)n(-c2ccccc2)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1C#N ZINC000611538204 521208669 /nfs/dbraw/zinc/20/86/69/521208669.db2.gz OTLMBBGKQRAEFX-UHFFFAOYSA-N -1 3 364.365 2.860 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000599481729 521249512 /nfs/dbraw/zinc/24/95/12/521249512.db2.gz ILYNAXNGMNBXIH-UKRRQHHQSA-N -1 3 362.476 2.927 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000593886542 521273283 /nfs/dbraw/zinc/27/32/83/521273283.db2.gz QKYNWANFHDOIJA-UHFFFAOYSA-N -1 3 360.417 2.530 20 30 FFEDHM O=C([N-]CC(F)F)C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000619126831 521410207 /nfs/dbraw/zinc/41/02/07/521410207.db2.gz OEEMYHLRFOXBQD-UHFFFAOYSA-N -1 3 358.229 2.538 20 30 FFEDHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000619166689 521427580 /nfs/dbraw/zinc/42/75/80/521427580.db2.gz WALCMWDMAHACIT-RHSMWYFYSA-N -1 3 355.417 2.573 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)[n-]1 ZINC000619448785 521574754 /nfs/dbraw/zinc/57/47/54/521574754.db2.gz GKHLXRQPVNRWRY-UHFFFAOYSA-N -1 3 373.438 2.509 20 30 FFEDHM CCOC(=O)c1nc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c[n-]1 ZINC000619448785 521574762 /nfs/dbraw/zinc/57/47/62/521574762.db2.gz GKHLXRQPVNRWRY-UHFFFAOYSA-N -1 3 373.438 2.509 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC1CCC(C#N)CC1 ZINC000619674664 521820828 /nfs/dbraw/zinc/82/08/28/521820828.db2.gz NYYYREIUYOZCNM-UHFFFAOYSA-N -1 3 353.426 2.611 20 30 FFEDHM CC(=O)CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000632415800 522079222 /nfs/dbraw/zinc/07/92/22/522079222.db2.gz GHLIYBBXNGYPTE-UHFFFAOYSA-N -1 3 373.272 2.748 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)nn1 ZINC000632635776 522202086 /nfs/dbraw/zinc/20/20/86/522202086.db2.gz LLERDCJVDLUVEV-UHFFFAOYSA-N -1 3 364.402 2.526 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000629500201 522283585 /nfs/dbraw/zinc/28/35/85/522283585.db2.gz GCOAOHGFTWNDTD-OFQRWUPVSA-N -1 3 350.484 2.694 20 30 FFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000625326644 523352058 /nfs/dbraw/zinc/35/20/58/523352058.db2.gz ZLBBGQXMSFDVOB-UHFFFAOYSA-N -1 3 356.513 2.533 20 30 FFEDHM C=CCCc1ccccc1NC(=O)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000504455414 561658655 /nfs/dbraw/zinc/65/86/55/561658655.db2.gz HEWBILXETYQOEJ-MRXNPFEDSA-N -1 3 354.410 2.957 20 30 FFEDHM Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)[n-]1 ZINC000610570248 554531781 /nfs/dbraw/zinc/53/17/81/554531781.db2.gz LTFJXQAFQCJSBG-WFASDCNBSA-N -1 3 358.471 2.558 20 30 FFEDHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000613590012 554942083 /nfs/dbraw/zinc/94/20/83/554942083.db2.gz ALDJGIHRDUZWCX-KRWDZBQOSA-N -1 3 354.458 2.570 20 30 FFEDHM C=CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000647741715 568277154 /nfs/dbraw/zinc/27/71/54/568277154.db2.gz DUVJVSZKPZYUHR-ZDUSSCGKSA-N -1 3 350.465 2.634 20 30 FFEDHM Brc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819689024 607252615 /nfs/dbraw/zinc/25/26/15/607252615.db2.gz SOGKRZPEOGIPCJ-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM Brc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819689024 607252616 /nfs/dbraw/zinc/25/26/16/607252616.db2.gz SOGKRZPEOGIPCJ-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM Cc1cc2ccccc2n1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737285450 598913712 /nfs/dbraw/zinc/91/37/12/598913712.db2.gz SGNDXKLQJWSQAP-UHFFFAOYSA-N -1 3 357.377 2.640 20 30 FFEDHM Cc1cc2ccccc2n1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737285450 598913714 /nfs/dbraw/zinc/91/37/14/598913714.db2.gz SGNDXKLQJWSQAP-UHFFFAOYSA-N -1 3 357.377 2.640 20 30 FFEDHM CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735927790 598922106 /nfs/dbraw/zinc/92/21/06/598922106.db2.gz BRMJOGJUVOMBCM-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735927790 598922108 /nfs/dbraw/zinc/92/21/08/598922108.db2.gz BRMJOGJUVOMBCM-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735442417 598947623 /nfs/dbraw/zinc/94/76/23/598947623.db2.gz AXPCTDPJUQRPHC-UHFFFAOYSA-N -1 3 356.407 2.671 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735442417 598947625 /nfs/dbraw/zinc/94/76/25/598947625.db2.gz AXPCTDPJUQRPHC-UHFFFAOYSA-N -1 3 356.407 2.671 20 30 FFEDHM Cc1c(NCc2nnc(-c3cccc(C#N)c3)o2)cccc1-c1nnn[n-]1 ZINC000822122576 607255850 /nfs/dbraw/zinc/25/58/50/607255850.db2.gz OMFZSMCVQVSBPW-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1c(NCc2nnc(-c3cccc(C#N)c3)o2)cccc1-c1nn[n-]n1 ZINC000822122576 607255851 /nfs/dbraw/zinc/25/58/51/607255851.db2.gz OMFZSMCVQVSBPW-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM COC(=O)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821668607 599110413 /nfs/dbraw/zinc/11/04/13/599110413.db2.gz AKFVDURPZLOGNQ-GDNBJRDFSA-N -1 3 360.373 2.866 20 30 FFEDHM COC(=O)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821668607 599110414 /nfs/dbraw/zinc/11/04/14/599110414.db2.gz AKFVDURPZLOGNQ-GDNBJRDFSA-N -1 3 360.373 2.866 20 30 FFEDHM O=C1C(=Cc2cccc3c2OCCO3)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504091 599114368 /nfs/dbraw/zinc/11/43/68/599114368.db2.gz LYFIJTHWUVRQGJ-QBFSEMIESA-N -1 3 360.373 2.850 20 30 FFEDHM O=C1C(=Cc2cccc3c2OCCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504091 599114371 /nfs/dbraw/zinc/11/43/71/599114371.db2.gz LYFIJTHWUVRQGJ-QBFSEMIESA-N -1 3 360.373 2.850 20 30 FFEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1-n1cncn1 ZINC000822198888 599111717 /nfs/dbraw/zinc/11/17/17/599111717.db2.gz MZZJRSYIGGPGQX-OQFOIZHKSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1-n1cncn1 ZINC000822198888 599111720 /nfs/dbraw/zinc/11/17/20/599111720.db2.gz MZZJRSYIGGPGQX-OQFOIZHKSA-N -1 3 357.377 2.652 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737082694 599150999 /nfs/dbraw/zinc/15/09/99/599150999.db2.gz YBACRRUCOBJZSE-FNORWQNLSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737082694 599151002 /nfs/dbraw/zinc/15/10/02/599151002.db2.gz YBACRRUCOBJZSE-FNORWQNLSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=C2COc3c(OC)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737083378 599155655 /nfs/dbraw/zinc/15/56/55/599155655.db2.gz NOAHCWLYZTWYNW-XYOKQWHBSA-N -1 3 364.361 2.543 20 30 FFEDHM COc1ccc(C=C2COc3c(OC)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737083378 599155656 /nfs/dbraw/zinc/15/56/56/599155656.db2.gz NOAHCWLYZTWYNW-XYOKQWHBSA-N -1 3 364.361 2.543 20 30 FFEDHM Cc1ccc2cccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2n1 ZINC000737377797 599193786 /nfs/dbraw/zinc/19/37/86/599193786.db2.gz PGZDNJCRTNGNEA-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1ccc2cccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2n1 ZINC000737377797 599193787 /nfs/dbraw/zinc/19/37/87/599193787.db2.gz PGZDNJCRTNGNEA-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737718980 599196535 /nfs/dbraw/zinc/19/65/35/599196535.db2.gz OCQYUUAZVWZKIF-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737718980 599196536 /nfs/dbraw/zinc/19/65/36/599196536.db2.gz OCQYUUAZVWZKIF-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM CCCCCCCCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821055866 607272140 /nfs/dbraw/zinc/27/21/40/607272140.db2.gz IAXZCDRNWSIWRL-UHFFFAOYSA-N -1 3 372.473 2.980 20 30 FFEDHM CCCCCCCCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821055866 607272141 /nfs/dbraw/zinc/27/21/41/607272141.db2.gz IAXZCDRNWSIWRL-UHFFFAOYSA-N -1 3 372.473 2.980 20 30 FFEDHM Cc1c(NC(=O)N(CCC#N)Cc2ccccn2)cccc1-c1nnn[n-]1 ZINC000822076651 607283841 /nfs/dbraw/zinc/28/38/41/607283841.db2.gz PLTAWSBMOUFARU-UHFFFAOYSA-N -1 3 362.397 2.518 20 30 FFEDHM Cc1c(NC(=O)N(CCC#N)Cc2ccccn2)cccc1-c1nn[n-]n1 ZINC000822076651 607283842 /nfs/dbraw/zinc/28/38/42/607283842.db2.gz PLTAWSBMOUFARU-UHFFFAOYSA-N -1 3 362.397 2.518 20 30 FFEDHM Cc1c(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822061277 607295887 /nfs/dbraw/zinc/29/58/87/607295887.db2.gz LOCMFQKWQKAFGI-UHFFFAOYSA-N -1 3 362.393 2.843 20 30 FFEDHM Cc1c(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822061277 607295888 /nfs/dbraw/zinc/29/58/88/607295888.db2.gz LOCMFQKWQKAFGI-UHFFFAOYSA-N -1 3 362.393 2.843 20 30 FFEDHM N#Cc1ccccc1N1CCCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737727479 598238841 /nfs/dbraw/zinc/23/88/41/598238841.db2.gz OHJGOGHWHJCWDX-UHFFFAOYSA-N -1 3 363.400 2.594 20 30 FFEDHM Brc1ccc(CNN=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735369485 598362805 /nfs/dbraw/zinc/36/28/05/598362805.db2.gz VNBFIEKKPXKGOY-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM Brc1ccc(CNN=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735369485 598362807 /nfs/dbraw/zinc/36/28/07/598362807.db2.gz VNBFIEKKPXKGOY-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737011478 598419788 /nfs/dbraw/zinc/41/97/88/598419788.db2.gz UFMCMXSYCXRALI-WCIBSUBMSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737011478 598419790 /nfs/dbraw/zinc/41/97/90/598419790.db2.gz UFMCMXSYCXRALI-WCIBSUBMSA-N -1 3 350.378 2.788 20 30 FFEDHM N#Cc1ccc(S[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737723337 598419989 /nfs/dbraw/zinc/41/99/89/598419989.db2.gz SXOWGOSIONKIAN-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccc(S[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737723337 598419990 /nfs/dbraw/zinc/41/99/90/598419990.db2.gz SXOWGOSIONKIAN-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCSC1=Nc1ccccc1 ZINC000738261245 598437598 /nfs/dbraw/zinc/43/75/98/598437598.db2.gz LMYQCWAREOACPZ-UHFFFAOYSA-N -1 3 365.422 2.529 20 30 FFEDHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCSC1=Nc1ccccc1 ZINC000738261245 598437600 /nfs/dbraw/zinc/43/76/00/598437600.db2.gz LMYQCWAREOACPZ-UHFFFAOYSA-N -1 3 365.422 2.529 20 30 FFEDHM CC(N=Nc1ccc(Br)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451218 598439583 /nfs/dbraw/zinc/43/95/83/598439583.db2.gz UMWLUAHFHFSFKB-UHFFFAOYSA-N -1 3 358.203 2.860 20 30 FFEDHM N#CCN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000737693276 598657109 /nfs/dbraw/zinc/65/71/09/598657109.db2.gz NCHPTDCYMCQCCP-UHFFFAOYSA-N -1 3 360.377 2.787 20 30 FFEDHM N#CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000737693276 598657110 /nfs/dbraw/zinc/65/71/10/598657110.db2.gz NCHPTDCYMCQCCP-UHFFFAOYSA-N -1 3 360.377 2.787 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000737295398 598820589 /nfs/dbraw/zinc/82/05/89/598820589.db2.gz VTYFDKMAEOXCND-UHFFFAOYSA-N -1 3 357.377 2.906 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000737295398 598820591 /nfs/dbraw/zinc/82/05/91/598820591.db2.gz VTYFDKMAEOXCND-UHFFFAOYSA-N -1 3 357.377 2.906 20 30 FFEDHM S=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)NC1CCCCC1 ZINC000823731910 599333146 /nfs/dbraw/zinc/33/31/46/599333146.db2.gz HGBBDSYGLAYBNT-UHFFFAOYSA-N -1 3 369.498 2.704 20 30 FFEDHM S=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)NC1CCCCC1 ZINC000823731910 599333149 /nfs/dbraw/zinc/33/31/49/599333149.db2.gz HGBBDSYGLAYBNT-UHFFFAOYSA-N -1 3 369.498 2.704 20 30 FFEDHM Cc1nc(Cl)cc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000822449919 599340228 /nfs/dbraw/zinc/34/02/28/599340228.db2.gz VBYXBIQVIWIFAM-UHFFFAOYSA-N -1 3 354.805 2.771 20 30 FFEDHM Cc1nc(Cl)cc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC000822449919 599340230 /nfs/dbraw/zinc/34/02/30/599340230.db2.gz VBYXBIQVIWIFAM-UHFFFAOYSA-N -1 3 354.805 2.771 20 30 FFEDHM C#CCOc1cccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000819710256 599383059 /nfs/dbraw/zinc/38/30/59/599383059.db2.gz ZTMFBOSEJIIPHH-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM C#CCOc1cccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000819710256 599383062 /nfs/dbraw/zinc/38/30/62/599383062.db2.gz ZTMFBOSEJIIPHH-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM C#CCOc1cccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000819709789 599383465 /nfs/dbraw/zinc/38/34/65/599383465.db2.gz PFWBXGKOMDBOKL-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM C#CCOc1cccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000819709789 599383466 /nfs/dbraw/zinc/38/34/66/599383466.db2.gz PFWBXGKOMDBOKL-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM COc1ccc(C)cc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737073426 599460308 /nfs/dbraw/zinc/46/03/08/599460308.db2.gz CGGCIWHPWMVNJH-WAYWQWQTSA-N -1 3 360.377 2.728 20 30 FFEDHM COc1ccc(C)cc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737073426 599460310 /nfs/dbraw/zinc/46/03/10/599460310.db2.gz CGGCIWHPWMVNJH-WAYWQWQTSA-N -1 3 360.377 2.728 20 30 FFEDHM N#CC(C(=O)CCCNC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000739074932 599799475 /nfs/dbraw/zinc/79/94/75/599799475.db2.gz NNXYJLUEPLMEKL-SECBINFHSA-N -1 3 358.181 2.689 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000736106966 600409201 /nfs/dbraw/zinc/40/92/01/600409201.db2.gz NPDVKFLJFXRSIQ-UHFFFAOYSA-N -1 3 369.368 2.758 20 30 FFEDHM N#Cc1ccc([C@@H](NCc2ccccc2CN2CCCC2=O)C(=O)[O-])cc1 ZINC000739104797 600592546 /nfs/dbraw/zinc/59/25/46/600592546.db2.gz DKFFHURYJOPGCG-HXUWFJFHSA-N -1 3 363.417 2.596 20 30 FFEDHM CCCC[C@H](C(=O)[O-])N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000829277057 600985625 /nfs/dbraw/zinc/98/56/25/600985625.db2.gz POCOAXGQXJHOEI-CQSZACIVSA-N -1 3 358.398 2.572 20 30 FFEDHM N#Cc1cccc([C@@H](NCc2ccc(C(=O)N3CCCC3)cc2)C(=O)[O-])c1 ZINC000833075106 601299877 /nfs/dbraw/zinc/29/98/77/601299877.db2.gz HPUWZPMLTKUQMT-LJQANCHMSA-N -1 3 363.417 2.710 20 30 FFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000833074273 601313249 /nfs/dbraw/zinc/31/32/49/601313249.db2.gz TZBMICKGZMJRNB-QGZVFWFLSA-N -1 3 369.446 2.640 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccccc2CN(C)C(=O)[O-])CC1 ZINC000738485638 603140972 /nfs/dbraw/zinc/14/09/72/603140972.db2.gz MOIYWNQXIRGGLI-UHFFFAOYSA-N -1 3 360.458 2.958 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826180574 607645705 /nfs/dbraw/zinc/64/57/05/607645705.db2.gz NCHJXGYEQSQZRF-GQCTYLIASA-N -1 3 369.406 2.791 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826180574 607645708 /nfs/dbraw/zinc/64/57/08/607645708.db2.gz NCHJXGYEQSQZRF-GQCTYLIASA-N -1 3 369.406 2.791 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000826244024 607659961 /nfs/dbraw/zinc/65/99/61/607659961.db2.gz DZKZBCXBAMJZAD-UHFFFAOYSA-N -1 3 358.405 2.852 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000826244024 607659962 /nfs/dbraw/zinc/65/99/62/607659962.db2.gz DZKZBCXBAMJZAD-UHFFFAOYSA-N -1 3 358.405 2.852 20 30 FFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCN(C(=O)[O-])CC1 ZINC000828085603 603983701 /nfs/dbraw/zinc/98/37/01/603983701.db2.gz HCXUDKISRUNCIS-CYBMUJFWSA-N -1 3 372.450 2.547 20 30 FFEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000833411346 605175342 /nfs/dbraw/zinc/17/53/42/605175342.db2.gz AGYWCYLNPOBPNH-SFHVURJKSA-N -1 3 351.406 2.938 20 30 FFEDHM CCCN(CC(=O)N(CCC#N)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000826898587 605471177 /nfs/dbraw/zinc/47/11/77/605471177.db2.gz YPYBPQFSYWGIRQ-UHFFFAOYSA-N -1 3 372.469 2.788 20 30 FFEDHM Cc1oc(NC(=O)CN[C@@]2(CNC(=O)[O-])CCCC[C@H]2C)c(C#N)c1C ZINC000833934429 605763019 /nfs/dbraw/zinc/76/30/19/605763019.db2.gz JZGQLGQYWBRHGB-ADLMAVQZSA-N -1 3 362.430 2.513 20 30 FFEDHM C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4nnn[n-]4)cn3C)sc2C1 ZINC000820728449 606208404 /nfs/dbraw/zinc/20/84/04/606208404.db2.gz VYHCURQAPAPLLF-VIFPVBQESA-N -1 3 367.438 2.515 20 30 FFEDHM C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4nn[n-]n4)cn3C)sc2C1 ZINC000820728449 606208405 /nfs/dbraw/zinc/20/84/05/606208405.db2.gz VYHCURQAPAPLLF-VIFPVBQESA-N -1 3 367.438 2.515 20 30 FFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000822805738 606301775 /nfs/dbraw/zinc/30/17/75/606301775.db2.gz BKMIEQWGYIDNSN-SCLBCKFNSA-N -1 3 358.405 2.956 20 30 FFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000822805738 606301777 /nfs/dbraw/zinc/30/17/77/606301777.db2.gz BKMIEQWGYIDNSN-SCLBCKFNSA-N -1 3 358.405 2.956 20 30 FFEDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000820555898 606326773 /nfs/dbraw/zinc/32/67/73/606326773.db2.gz QSKUVSQIKLQSDE-GFCCVEGCSA-N -1 3 356.455 2.690 20 30 FFEDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000820555898 606326774 /nfs/dbraw/zinc/32/67/74/606326774.db2.gz QSKUVSQIKLQSDE-GFCCVEGCSA-N -1 3 356.455 2.690 20 30 FFEDHM N#CCCCOc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822805935 606515656 /nfs/dbraw/zinc/51/56/56/606515656.db2.gz GZGZFZUMVVYCKR-UHFFFAOYSA-N -1 3 362.393 2.730 20 30 FFEDHM N#CCCCOc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822805935 606515658 /nfs/dbraw/zinc/51/56/58/606515658.db2.gz GZGZFZUMVVYCKR-UHFFFAOYSA-N -1 3 362.393 2.730 20 30 FFEDHM CC(C)CN(C[C@H](O)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820087359 606921861 /nfs/dbraw/zinc/92/18/61/606921861.db2.gz QCCIMKYRAZCSSK-IBGZPJMESA-N -1 3 362.437 2.934 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822829627 607190052 /nfs/dbraw/zinc/19/00/52/607190052.db2.gz ASGQASUKZUEMRP-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822829627 607190053 /nfs/dbraw/zinc/19/00/53/607190053.db2.gz ASGQASUKZUEMRP-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM C=CCc1cc(OC)cc(CN(C)c2ccccc2-c2nnn[n-]2)c1O ZINC000823936993 607847160 /nfs/dbraw/zinc/84/71/60/607847160.db2.gz CTQLZBWALHUJQF-UHFFFAOYSA-N -1 3 351.410 2.946 20 30 FFEDHM C=CCc1cc(OC)cc(CN(C)c2ccccc2-c2nn[n-]n2)c1O ZINC000823936993 607847161 /nfs/dbraw/zinc/84/71/61/607847161.db2.gz CTQLZBWALHUJQF-UHFFFAOYSA-N -1 3 351.410 2.946 20 30 FFEDHM C=CCc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000823937203 607871598 /nfs/dbraw/zinc/87/15/98/607871598.db2.gz MGCQEKFOMCTGQL-MRXNPFEDSA-N -1 3 352.394 2.716 20 30 FFEDHM C=CCc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000823937203 607871599 /nfs/dbraw/zinc/87/15/99/607871599.db2.gz MGCQEKFOMCTGQL-MRXNPFEDSA-N -1 3 352.394 2.716 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826162594 607884168 /nfs/dbraw/zinc/88/41/68/607884168.db2.gz JKXAHIFPDJPEOG-FLIBITNWSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826162594 607884169 /nfs/dbraw/zinc/88/41/69/607884169.db2.gz JKXAHIFPDJPEOG-FLIBITNWSA-N -1 3 350.378 2.788 20 30 FFEDHM C=C(C)[C@@H](CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)OCC ZINC000823873656 607923835 /nfs/dbraw/zinc/92/38/35/607923835.db2.gz OVTZXWDZWLSDAO-XJKSGUPXSA-N -1 3 360.414 2.549 20 30 FFEDHM C=C(C)[C@@H](CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)OCC ZINC000823873656 607923836 /nfs/dbraw/zinc/92/38/36/607923836.db2.gz OVTZXWDZWLSDAO-XJKSGUPXSA-N -1 3 360.414 2.549 20 30 FFEDHM C#CCOCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823856358 607923843 /nfs/dbraw/zinc/92/38/43/607923843.db2.gz PKPINYPZELXJCO-UHFFFAOYSA-N -1 3 364.361 2.604 20 30 FFEDHM C#CCOCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823856358 607923844 /nfs/dbraw/zinc/92/38/44/607923844.db2.gz PKPINYPZELXJCO-UHFFFAOYSA-N -1 3 364.361 2.604 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000823909338 607927773 /nfs/dbraw/zinc/92/77/73/607927773.db2.gz AAWYMMYCOUZXMK-IRXDYDNUSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)[C@@H]1CCCO1 ZINC000823909338 607927774 /nfs/dbraw/zinc/92/77/74/607927774.db2.gz AAWYMMYCOUZXMK-IRXDYDNUSA-N -1 3 370.457 2.522 20 30 FFEDHM C#CC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837837 607956208 /nfs/dbraw/zinc/95/62/08/607956208.db2.gz HBFKTRWONMTNTO-KDOFPFPSSA-N -1 3 361.405 2.515 20 30 FFEDHM C=CCCC(=O)COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823888063 608057731 /nfs/dbraw/zinc/05/77/31/608057731.db2.gz DTVAXZCMCSYNRR-UHFFFAOYSA-N -1 3 354.288 2.578 20 30 FFEDHM C=CCCC(=O)COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823888063 608057732 /nfs/dbraw/zinc/05/77/32/608057732.db2.gz DTVAXZCMCSYNRR-UHFFFAOYSA-N -1 3 354.288 2.578 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953686 608091732 /nfs/dbraw/zinc/09/17/32/608091732.db2.gz LWDGSVZNWCOVFM-UHFFFAOYSA-N -1 3 357.468 2.947 20 30 FFEDHM C=CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000823904239 608250437 /nfs/dbraw/zinc/25/04/37/608250437.db2.gz XMZDYKRWYJDUFD-UHFFFAOYSA-N -1 3 365.393 2.829 20 30 FFEDHM N#C[C@H](COC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000826379639 608276449 /nfs/dbraw/zinc/27/64/49/608276449.db2.gz XRHNPUOETOPZKU-CQSZACIVSA-N -1 3 367.434 2.786 20 30 FFEDHM N#C[C@H](COC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000826379639 608276450 /nfs/dbraw/zinc/27/64/50/608276450.db2.gz XRHNPUOETOPZKU-CQSZACIVSA-N -1 3 367.434 2.786 20 30 FFEDHM C#CCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000823837719 608296910 /nfs/dbraw/zinc/29/69/10/608296910.db2.gz GGWGACDJESXRPP-UHFFFAOYSA-N -1 3 365.359 2.951 20 30 FFEDHM C#CCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000823837719 608296912 /nfs/dbraw/zinc/29/69/12/608296912.db2.gz GGWGACDJESXRPP-UHFFFAOYSA-N -1 3 365.359 2.951 20 30 FFEDHM C#C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000823838157 608454971 /nfs/dbraw/zinc/45/49/71/608454971.db2.gz KTUHQHGBPCUPLE-INIZCTEOSA-N -1 3 361.361 2.623 20 30 FFEDHM C#C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000823838157 608454973 /nfs/dbraw/zinc/45/49/73/608454973.db2.gz KTUHQHGBPCUPLE-INIZCTEOSA-N -1 3 361.361 2.623 20 30 FFEDHM C=C(C)[C@H](CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)OCC ZINC000823873702 608482622 /nfs/dbraw/zinc/48/26/22/608482622.db2.gz PLSKNKZUPZDXOD-SFHVURJKSA-N -1 3 367.453 2.854 20 30 FFEDHM C=C(C)[C@H](CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)OCC ZINC000823873702 608482623 /nfs/dbraw/zinc/48/26/23/608482623.db2.gz PLSKNKZUPZDXOD-SFHVURJKSA-N -1 3 367.453 2.854 20 30 FFEDHM COc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1F ZINC000826187751 608537491 /nfs/dbraw/zinc/53/74/91/608537491.db2.gz DJVBJGNGQAUHRW-UHFFFAOYSA-N -1 3 361.768 2.899 20 30 FFEDHM COc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1F ZINC000826187751 608537492 /nfs/dbraw/zinc/53/74/92/608537492.db2.gz DJVBJGNGQAUHRW-UHFFFAOYSA-N -1 3 361.768 2.899 20 30 FFEDHM O=[N+]([O-])c1ccccc1CC=CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826500467 608539997 /nfs/dbraw/zinc/53/99/97/608539997.db2.gz ZFVGTAMVKKYOSJ-KNLWTXRNSA-N -1 3 370.760 2.934 20 30 FFEDHM O=[N+]([O-])c1ccccc1CC=CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826500467 608539998 /nfs/dbraw/zinc/53/99/98/608539998.db2.gz ZFVGTAMVKKYOSJ-KNLWTXRNSA-N -1 3 370.760 2.934 20 30 FFEDHM C=CCN(Cc1cnc2ccc(C#N)cn12)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914335 608632037 /nfs/dbraw/zinc/63/20/37/608632037.db2.gz GPHRZNWRJHMOEK-UHFFFAOYSA-N -1 3 370.420 2.574 20 30 FFEDHM COc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826178607 608876444 /nfs/dbraw/zinc/87/64/44/608876444.db2.gz FBRIHHVJZFPIHY-SOFGYWHQSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826178607 608876448 /nfs/dbraw/zinc/87/64/48/608876448.db2.gz FBRIHHVJZFPIHY-SOFGYWHQSA-N -1 3 351.322 2.680 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953701 609157098 /nfs/dbraw/zinc/15/70/98/609157098.db2.gz MMKABBVZKRMDKT-UHFFFAOYSA-N -1 3 369.257 2.793 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953701 609157100 /nfs/dbraw/zinc/15/71/00/609157100.db2.gz MMKABBVZKRMDKT-UHFFFAOYSA-N -1 3 369.257 2.793 20 30 FFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825958226 609162371 /nfs/dbraw/zinc/16/23/71/609162371.db2.gz OIJXGQGDWCYUOU-UHFFFAOYSA-N -1 3 358.405 2.694 20 30 FFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825958226 609162373 /nfs/dbraw/zinc/16/23/73/609162373.db2.gz OIJXGQGDWCYUOU-UHFFFAOYSA-N -1 3 358.405 2.694 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(C)(C)C)n1 ZINC000826360103 609270434 /nfs/dbraw/zinc/27/04/34/609270434.db2.gz XRZCEWDXQOAVPO-VURMDHGXSA-N -1 3 354.389 2.933 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(C)(C)C)n1 ZINC000826360103 609270436 /nfs/dbraw/zinc/27/04/36/609270436.db2.gz XRZCEWDXQOAVPO-VURMDHGXSA-N -1 3 354.389 2.933 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(C)(C)C)n1 ZINC000826360102 609270496 /nfs/dbraw/zinc/27/04/96/609270496.db2.gz XRZCEWDXQOAVPO-SOFGYWHQSA-N -1 3 354.389 2.933 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(C)(C)C)n1 ZINC000826360102 609270497 /nfs/dbraw/zinc/27/04/97/609270497.db2.gz XRZCEWDXQOAVPO-SOFGYWHQSA-N -1 3 354.389 2.933 20 30 FFEDHM Cc1nnc(SCCCOc2cccc(-c3nnn[n-]3)c2)c(C#N)c1C ZINC000826336658 609305651 /nfs/dbraw/zinc/30/56/51/609305651.db2.gz IADIWTZWVBDMIP-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM Cc1nnc(SCCCOc2cccc(-c3nn[n-]n3)c2)c(C#N)c1C ZINC000826336658 609305653 /nfs/dbraw/zinc/30/56/53/609305653.db2.gz IADIWTZWVBDMIP-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM N#C[C@H](NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826380219 609333973 /nfs/dbraw/zinc/33/39/73/609333973.db2.gz RNTRMMWPRCDNAI-HNNXBMFYSA-N -1 3 360.377 2.691 20 30 FFEDHM N#C[C@H](NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826380219 609333975 /nfs/dbraw/zinc/33/39/75/609333975.db2.gz RNTRMMWPRCDNAI-HNNXBMFYSA-N -1 3 360.377 2.691 20 30 FFEDHM CCOc1ccccc1C=NOCCOc1ccccc1-c1nnn[n-]1 ZINC000825653348 609466552 /nfs/dbraw/zinc/46/65/52/609466552.db2.gz BGFKRGYKZHLUFH-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM CCOc1ccccc1C=NOCCOc1ccccc1-c1nn[n-]n1 ZINC000825653348 609466553 /nfs/dbraw/zinc/46/65/53/609466553.db2.gz BGFKRGYKZHLUFH-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(OC)c1 ZINC000826179028 609474180 /nfs/dbraw/zinc/47/41/80/609474180.db2.gz VQXJNPWWQGNJEL-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1 ZINC000826179028 609474183 /nfs/dbraw/zinc/47/41/83/609474183.db2.gz VQXJNPWWQGNJEL-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826162747 609484370 /nfs/dbraw/zinc/48/43/70/609484370.db2.gz QNQVVFVLUMLRBG-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826162747 609484373 /nfs/dbraw/zinc/48/43/73/609484373.db2.gz QNQVVFVLUMLRBG-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823894634 609570845 /nfs/dbraw/zinc/57/08/45/609570845.db2.gz VHAYSHWYGJFCHP-JTQLQIEISA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823894634 609570846 /nfs/dbraw/zinc/57/08/46/609570846.db2.gz VHAYSHWYGJFCHP-JTQLQIEISA-N -1 3 355.851 2.543 20 30 FFEDHM N#CCc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826382563 609614630 /nfs/dbraw/zinc/61/46/30/609614630.db2.gz KAKNIHBQSXYGCJ-UHFFFAOYSA-N -1 3 353.769 2.943 20 30 FFEDHM N#CCc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826382563 609614632 /nfs/dbraw/zinc/61/46/32/609614632.db2.gz KAKNIHBQSXYGCJ-UHFFFAOYSA-N -1 3 353.769 2.943 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O)c(C)c2)ccc1F ZINC000157339464 728870587 /nfs/dbraw/zinc/87/05/87/728870587.db2.gz UXBDBXBORVWUFS-UHFFFAOYSA-N -1 3 364.398 2.556 20 30 FFEDHM COc1cc(C/N=C/c2c([O-])c(C)ncc2CO)ccc1OC(F)F ZINC000005111078 727779762 /nfs/dbraw/zinc/77/97/62/727779762.db2.gz MCFONYVEZQZIAM-DNTJNYDQSA-N -1 3 352.337 2.817 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C(C)C)ccc1F ZINC000117195420 728576330 /nfs/dbraw/zinc/57/63/30/728576330.db2.gz AGWMNNLMTRESNP-INIZCTEOSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CC(C)C)ccc1F ZINC000128858243 728709751 /nfs/dbraw/zinc/70/97/51/728709751.db2.gz KIUQIDZPNDITIY-OAHLLOKOSA-N -1 3 368.474 2.941 20 30 FFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000134853150 728733461 /nfs/dbraw/zinc/73/34/61/728733461.db2.gz BKKNFVGCEIGHRV-UHFFFAOYSA-N -1 3 354.653 2.879 20 30 FFEDHM COc1cccc(C=Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1O ZINC000254966150 729628210 /nfs/dbraw/zinc/62/82/10/729628210.db2.gz YHOXSQWDPMFJQP-UHFFFAOYSA-N -1 3 364.398 2.731 20 30 FFEDHM C=CC[C@H](C=C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000860928090 730559748 /nfs/dbraw/zinc/55/97/48/730559748.db2.gz ZHBNJZTWGNNLQA-HNNXBMFYSA-N -1 3 353.440 2.889 20 30 FFEDHM CC[C@@H](C#N)OC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000781144986 738601706 /nfs/dbraw/zinc/60/17/06/738601706.db2.gz LPJSWDWPLZASJB-VIFPVBQESA-N -1 3 365.238 2.507 20 30 FFEDHM COCc1nc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000782550146 738732980 /nfs/dbraw/zinc/73/29/80/738732980.db2.gz SJOSLSSDWLWTDK-UHFFFAOYSA-N -1 3 361.423 2.555 20 30 FFEDHM O=C(c1cc([O-])cc(Br)c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887768135 733973429 /nfs/dbraw/zinc/97/34/29/733973429.db2.gz KREIPEYZLXMYMG-UHFFFAOYSA-N -1 3 366.211 2.633 20 30 FFEDHM O=C1Nc2c(cc(Br)cc2Cl)C1=N[N-]c1cnccn1 ZINC000735611964 734953087 /nfs/dbraw/zinc/95/30/87/734953087.db2.gz BTNIMLUMGUKBNB-UHFFFAOYSA-N -1 3 352.579 2.661 20 30 FFEDHM CN(C(=O)CSc1ccccc1-c1nnn[n-]1)C1(C#N)CCCCC1 ZINC000736738665 734993369 /nfs/dbraw/zinc/99/33/69/734993369.db2.gz GCOYLFYANQCLFX-UHFFFAOYSA-N -1 3 356.455 2.644 20 30 FFEDHM CN(C(=O)CSc1ccccc1-c1nn[n-]n1)C1(C#N)CCCCC1 ZINC000736738665 734993374 /nfs/dbraw/zinc/99/33/74/734993374.db2.gz GCOYLFYANQCLFX-UHFFFAOYSA-N -1 3 356.455 2.644 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)CCCC1 ZINC000901967240 735882140 /nfs/dbraw/zinc/88/21/40/735882140.db2.gz XZAQONNWFXFODD-UHFFFAOYSA-N -1 3 362.451 2.911 20 30 FFEDHM CSC[C@H](C)C(=O)N1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904174193 736230204 /nfs/dbraw/zinc/23/02/04/736230204.db2.gz WGAVMRYESPCLPP-ZDUSSCGKSA-N -1 3 368.474 2.781 20 30 FFEDHM O=C([C@H]1CCc2nncn2CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178294 736230570 /nfs/dbraw/zinc/23/05/70/736230570.db2.gz DYWXDZHIAYOXBZ-NSHDSACASA-N -1 3 355.225 2.955 20 30 FFEDHM CS(=O)(=O)C1CCC(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC000904192607 736232337 /nfs/dbraw/zinc/23/23/37/736232337.db2.gz RVTXWJBTKJLAOK-UHFFFAOYSA-N -1 3 353.484 2.831 20 30 FFEDHM O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N([O-])Cc1ccccc1Cl ZINC000904192252 736232448 /nfs/dbraw/zinc/23/24/48/736232448.db2.gz FQYLBGRJRFNNGY-ZFWWWQNUSA-N -1 3 355.818 2.759 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CC)(CC)C2)ccc1F ZINC000755561320 736261690 /nfs/dbraw/zinc/26/16/90/736261690.db2.gz BARBDPUSOGAHKC-UHFFFAOYSA-N -1 3 368.474 2.942 20 30 FFEDHM C=C(C)[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000755991577 736296838 /nfs/dbraw/zinc/29/68/38/736296838.db2.gz IECUIAMNEXCQLQ-DZGCQCFKSA-N -1 3 364.467 2.648 20 30 FFEDHM Cc1cccc([C@@H]([N-]S(=O)(=O)CCCCC#N)C(=O)OC(C)(C)C)c1 ZINC000907661284 736653513 /nfs/dbraw/zinc/65/35/13/736653513.db2.gz NUGROJAGXYEYDB-MRXNPFEDSA-N -1 3 366.483 2.991 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)CC1 ZINC000908947029 736862360 /nfs/dbraw/zinc/86/23/60/736862360.db2.gz YNPFSHFCSIUDBS-UHFFFAOYSA-N -1 3 351.491 2.750 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC000908946236 736862418 /nfs/dbraw/zinc/86/24/18/736862418.db2.gz QQARDCGQJBFVLU-QGZVFWFLSA-N -1 3 351.491 2.750 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910266115 737050287 /nfs/dbraw/zinc/05/02/87/737050287.db2.gz JZXXGDKZKCYGBZ-GDBMZVCRSA-N -1 3 368.836 2.750 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c(Cl)n2)cc1 ZINC000766841945 737268379 /nfs/dbraw/zinc/26/83/79/737268379.db2.gz PBXMMRWECBVXTM-LBPRGKRZSA-N -1 3 359.769 2.713 20 30 FFEDHM CCCCCCCCC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OCC ZINC000912530060 737317054 /nfs/dbraw/zinc/31/70/54/737317054.db2.gz LLJAEXDYKKBHLR-UHFFFAOYSA-N -1 3 359.492 2.924 20 30 FFEDHM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cc(Cl)ccc1[O-] ZINC000912828459 737344476 /nfs/dbraw/zinc/34/44/76/737344476.db2.gz PZUBHQMOHCPMTR-UHFFFAOYSA-N -1 3 352.847 2.899 20 30 FFEDHM CCNc1nc(N=NCc2cc(Cl)c([O-])c(OC)c2)nc(NCC)n1 ZINC000916305396 737694955 /nfs/dbraw/zinc/69/49/55/737694955.db2.gz HWXUDNGSCQMLGB-UHFFFAOYSA-N -1 3 365.825 2.549 20 30 FFEDHM COC(=O)COc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000771100258 737696830 /nfs/dbraw/zinc/69/68/30/737696830.db2.gz XFJBZFRMDGUYBI-UHFFFAOYSA-N -1 3 351.742 2.759 20 30 FFEDHM CCCCCOC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000918823608 737827521 /nfs/dbraw/zinc/82/75/21/737827521.db2.gz JJIQTRJWBYCFJP-OAHLLOKOSA-N -1 3 366.483 2.873 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C(F)F)[C@@H]1CCCO1 ZINC000774472372 737992723 /nfs/dbraw/zinc/99/27/23/737992723.db2.gz YLRILEQGHVAVRI-DZGCQCFKSA-N -1 3 354.353 2.564 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000776273581 738176597 /nfs/dbraw/zinc/17/65/97/738176597.db2.gz IWCJQSRDLAFONR-UHFFFAOYSA-N -1 3 355.737 2.584 20 30 FFEDHM Cc1c(Br)c(C)n(N=Cc2cc(F)ccc2[O-])c(=O)c1C#N ZINC000788455628 739246726 /nfs/dbraw/zinc/24/67/26/739246726.db2.gz UQXCKWNZYMULAH-UHFFFAOYSA-N -1 3 364.174 2.826 20 30 FFEDHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n2)ccc1F ZINC000790038800 739410297 /nfs/dbraw/zinc/41/02/97/739410297.db2.gz DJMIELRNXHJZLZ-LLVKDONJSA-N -1 3 366.418 2.714 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OC2(C#N)CCC2)cc(C(F)(F)F)c1 ZINC000796752137 740179482 /nfs/dbraw/zinc/17/94/82/740179482.db2.gz BFMXZMOVLIXVGV-UHFFFAOYSA-N -1 3 362.329 2.680 20 30 FFEDHM Cc1cc(C)n(-c2nncn2N=Cc2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000811635665 741544534 /nfs/dbraw/zinc/54/45/34/741544534.db2.gz GWMOEAGWNMMXCZ-UHFFFAOYSA-N -1 3 350.304 2.687 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CCCC)ccc1F ZINC000813302379 741700060 /nfs/dbraw/zinc/70/00/60/741700060.db2.gz CZWPRMLNVBIYLP-ZDUSSCGKSA-N -1 3 356.463 2.941 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CC(C)(C)C)ccc1F ZINC000813321642 741701246 /nfs/dbraw/zinc/70/12/46/741701246.db2.gz BJDZRSLNVRHNGB-UHFFFAOYSA-N -1 3 356.463 2.798 20 30 FFEDHM N#Cc1ccncc1N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000814176652 741800754 /nfs/dbraw/zinc/80/07/54/741800754.db2.gz TXTRMSMJMBVQHR-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000816691247 742053666 /nfs/dbraw/zinc/05/36/66/742053666.db2.gz NXZUGYXBKMMCIM-ZETCQYMHSA-N -1 3 357.844 2.553 20 30 FFEDHM O=C(CSc1cccc2cccc(Cl)c21)N[C@H]1CCN([O-])C1=O ZINC000816697157 742054093 /nfs/dbraw/zinc/05/40/93/742054093.db2.gz SOVMMCCOQNOIEQ-LBPRGKRZSA-N -1 3 350.827 2.692 20 30 FFEDHM CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1csc(-c2cccs2)n1 ZINC000816757364 742059298 /nfs/dbraw/zinc/05/92/98/742059298.db2.gz QWLAKYNAEJCHTA-SNVBAGLBSA-N -1 3 365.480 2.646 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1csc(-c2ccccc2Cl)n1 ZINC000816759638 742059603 /nfs/dbraw/zinc/05/96/03/742059603.db2.gz QVMXUFWCOFFYFI-NSHDSACASA-N -1 3 351.815 2.574 20 30 FFEDHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816759731 742059629 /nfs/dbraw/zinc/05/96/29/742059629.db2.gz SXDGWDIYVGBPSY-LBPRGKRZSA-N -1 3 365.842 2.882 20 30 FFEDHM CC[C@@H](Cc1ccccc1Br)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820482855 742510753 /nfs/dbraw/zinc/51/07/53/742510753.db2.gz SNVOHNLBBAZVAW-SMDDNHRTSA-N -1 3 369.259 2.514 20 30 FFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C1CCOCC1 ZINC000825666309 743308218 /nfs/dbraw/zinc/30/82/18/743308218.db2.gz KCJXRQXGRNXWTM-CQSZACIVSA-N -1 3 357.784 2.985 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000829728749 745251431 /nfs/dbraw/zinc/25/14/31/745251431.db2.gz VATBCIGNUSXIIY-QMMMGPOBSA-N -1 3 366.668 2.714 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000830235716 745327976 /nfs/dbraw/zinc/32/79/76/745327976.db2.gz NARBATVIIPRBPZ-UHFFFAOYSA-N -1 3 371.709 2.695 20 30 FFEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000832417536 745695489 /nfs/dbraw/zinc/69/54/89/745695489.db2.gz HLRADUBYRUYXAE-QWHCGFSZSA-N -1 3 358.182 2.838 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2n(n1)CCCC2 ZINC000835065656 745943106 /nfs/dbraw/zinc/94/31/06/745943106.db2.gz PNKUPQJZLYPNHD-LBPRGKRZSA-N -1 3 360.776 2.973 20 30 FFEDHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)cc1C#N ZINC000842585324 747632635 /nfs/dbraw/zinc/63/26/35/747632635.db2.gz YSOSMTXWUVADRC-OAHLLOKOSA-N -1 3 369.443 2.539 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccccc1I ZINC000846554501 748501234 /nfs/dbraw/zinc/50/12/34/748501234.db2.gz JYCGNLLPSXSRSX-JTQLQIEISA-N -1 3 361.179 2.682 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2scc(Br)c2c1 ZINC000848131357 748850413 /nfs/dbraw/zinc/85/04/13/748850413.db2.gz DAQOFWWXDINRQM-LLVKDONJSA-N -1 3 369.240 2.774 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)sc2nc3n(c(=O)c12)CCC3 ZINC000049456379 845188379 /nfs/dbraw/zinc/18/83/79/845188379.db2.gz BVAPXCHEDRSDMY-NSHDSACASA-N -1 3 350.403 2.598 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000056411351 845358129 /nfs/dbraw/zinc/35/81/29/845358129.db2.gz PGWDEWRHZKTOGD-LBPRGKRZSA-N -1 3 369.462 2.524 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)CC2)ccc1F ZINC000062928194 845455824 /nfs/dbraw/zinc/45/58/24/845455824.db2.gz LFGDJZFEBXSKQK-ZDUSSCGKSA-N -1 3 354.447 2.552 20 30 FFEDHM C=CCN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000908945208 939360424 /nfs/dbraw/zinc/36/04/24/939360424.db2.gz CBFCPJUVSZVHGY-LJQANCHMSA-N -1 3 367.449 2.915 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820004774 945326992 /nfs/dbraw/zinc/32/69/92/945326992.db2.gz BNLJICRPWKRLOY-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820004774 945327002 /nfs/dbraw/zinc/32/70/02/945327002.db2.gz BNLJICRPWKRLOY-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823894773 946507006 /nfs/dbraw/zinc/50/70/06/946507006.db2.gz XDVNSLZGOXMBET-PBHICJAKSA-N -1 3 354.458 2.697 20 30 FFEDHM C#CCCCC(=O)NC1(CNc2cccc(F)c2-c2nnn[n-]2)CCCC1 ZINC001573284613 946752002 /nfs/dbraw/zinc/75/20/02/946752002.db2.gz HONPMLMZGCVFKP-UHFFFAOYSA-N -1 3 370.432 2.650 20 30 FFEDHM C#CCCCC(=O)NC1(CNc2cccc(F)c2-c2nn[n-]n2)CCCC1 ZINC001573284613 946752014 /nfs/dbraw/zinc/75/20/14/946752014.db2.gz HONPMLMZGCVFKP-UHFFFAOYSA-N -1 3 370.432 2.650 20 30 FFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001573553163 946884683 /nfs/dbraw/zinc/88/46/83/946884683.db2.gz DSYZOBZYMSPAOL-UHFFFAOYSA-N -1 3 372.388 2.877 20 30 FFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001573553163 946884693 /nfs/dbraw/zinc/88/46/93/946884693.db2.gz DSYZOBZYMSPAOL-UHFFFAOYSA-N -1 3 372.388 2.877 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573293151 946949424 /nfs/dbraw/zinc/94/94/24/946949424.db2.gz NDZKCHIUTKNJMV-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573293151 946949428 /nfs/dbraw/zinc/94/94/28/946949428.db2.gz NDZKCHIUTKNJMV-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)CCC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573299551 947096068 /nfs/dbraw/zinc/09/60/68/947096068.db2.gz JZRHABQFLMXBJC-UHFFFAOYSA-N -1 3 360.437 2.647 20 30 FFEDHM C=C(C)CCC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573299551 947096079 /nfs/dbraw/zinc/09/60/79/947096079.db2.gz JZRHABQFLMXBJC-UHFFFAOYSA-N -1 3 360.437 2.647 20 30 FFEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573327665 947393489 /nfs/dbraw/zinc/39/34/89/947393489.db2.gz IZZYUXXUPJEPIG-UHFFFAOYSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573327665 947393508 /nfs/dbraw/zinc/39/35/08/947393508.db2.gz IZZYUXXUPJEPIG-UHFFFAOYSA-N -1 3 355.851 2.543 20 30 FFEDHM COCCOc1ccc(C#N)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826162850 947511372 /nfs/dbraw/zinc/51/13/72/947511372.db2.gz UWVBWDPSJQDYGL-CYBMUJFWSA-N -1 3 364.409 2.937 20 30 FFEDHM COCCOc1ccc(C#N)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826162850 947511381 /nfs/dbraw/zinc/51/13/81/947511381.db2.gz UWVBWDPSJQDYGL-CYBMUJFWSA-N -1 3 364.409 2.937 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccns1 ZINC001573340855 947522224 /nfs/dbraw/zinc/52/22/24/947522224.db2.gz BSPXWIRRVCYKMH-LBPRGKRZSA-N -1 3 369.454 2.782 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccns1 ZINC001573340855 947522236 /nfs/dbraw/zinc/52/22/36/947522236.db2.gz BSPXWIRRVCYKMH-LBPRGKRZSA-N -1 3 369.454 2.782 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001594367676 958504068 /nfs/dbraw/zinc/50/40/68/958504068.db2.gz WKYMAUUWDANYDI-SJORKVTESA-N -1 3 357.454 2.817 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(N(C)C)cc1 ZINC000103415248 970202028 /nfs/dbraw/zinc/20/20/28/970202028.db2.gz HYBZUPJJKSZTRH-UHFFFAOYSA-N -1 3 352.438 2.525 20 30 FFEDHM N#Cc1cc(CN2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)ccc1F ZINC001075563124 973644374 /nfs/dbraw/zinc/64/43/74/973644374.db2.gz MNNFOZXLYDWHNY-HNAYVOBHSA-N -1 3 365.408 2.749 20 30 FFEDHM CC[C@@H](NCc1ccccc1S(=O)(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000924624906 975451885 /nfs/dbraw/zinc/45/18/85/975451885.db2.gz YIMUBWHSSLNXCV-QGZVFWFLSA-N -1 3 373.478 2.755 20 30 FFEDHM CC(C)c1ccc2ncc(C#N)c(N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)c2c1 ZINC000897347424 979128896 /nfs/dbraw/zinc/12/88/96/979128896.db2.gz MLTFRRZQRCWTSZ-MRXNPFEDSA-N -1 3 374.448 2.838 20 30 FFEDHM Cn1nc(C(=O)N([O-])Cc2ccc(F)cc2)cc1NC(=O)OC(C)(C)C ZINC000904178432 980207998 /nfs/dbraw/zinc/20/79/98/980207998.db2.gz JTUJELCIOWVWFW-UHFFFAOYSA-N -1 3 364.377 2.938 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908752938 981522468 /nfs/dbraw/zinc/52/24/68/981522468.db2.gz TYCHALOIYARJMZ-QZTJIDSGSA-N -1 3 359.470 2.932 20 30 FFEDHM C#CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000764445948 984498490 /nfs/dbraw/zinc/49/84/90/984498490.db2.gz AYTXKVVGCNDHSR-FQEVSTJZSA-N -1 3 362.429 2.878 20 30 FFEDHM C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC000997545090 985534475 /nfs/dbraw/zinc/53/44/75/985534475.db2.gz ZTWBAXVBWOWJRT-PVAVHDDUSA-N -1 3 365.433 2.555 20 30 FFEDHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001128847656 989938394 /nfs/dbraw/zinc/93/83/94/989938394.db2.gz ULGMXONFQIHNGM-UHFFFAOYSA-N -1 3 363.333 2.508 20 30 FFEDHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001128847656 989938402 /nfs/dbraw/zinc/93/84/02/989938402.db2.gz ULGMXONFQIHNGM-UHFFFAOYSA-N -1 3 363.333 2.508 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)cc1OC ZINC000916935309 990036060 /nfs/dbraw/zinc/03/60/60/990036060.db2.gz OMQBMUKYYBFWBR-AWEZNQCLSA-N -1 3 369.333 2.573 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC[C@H]2C=CCC2)ccc1F ZINC001133079582 995290724 /nfs/dbraw/zinc/29/07/24/995290724.db2.gz NZYDZBZQDJYLKL-AWEZNQCLSA-N -1 3 366.458 2.766 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC[C@@H]2C=CCC2)ccc1F ZINC001133079584 995290843 /nfs/dbraw/zinc/29/08/43/995290843.db2.gz NZYDZBZQDJYLKL-CQSZACIVSA-N -1 3 366.458 2.766 20 30 FFEDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC001133336655 995456182 /nfs/dbraw/zinc/45/61/82/995456182.db2.gz DQRKIMIPVNKNGV-UHFFFAOYSA-N -1 3 365.311 2.904 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@@H](CC(N)=O)c2ccc(Cl)cc2)ccc1[O-] ZINC001143786077 997668455 /nfs/dbraw/zinc/66/84/55/997668455.db2.gz KDCLNPJGMFGHJH-GFCCVEGCSA-N -1 3 357.797 2.905 20 30 FFEDHM COC(=O)c1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1F ZINC000844262687 997750507 /nfs/dbraw/zinc/75/05/07/997750507.db2.gz XIUIBOYDGDEERI-UHFFFAOYSA-N -1 3 371.368 2.773 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cncc([O-])c2)c1 ZINC000732393592 998651242 /nfs/dbraw/zinc/65/12/42/998651242.db2.gz BADOLUIHCKEXBZ-HNNXBMFYSA-N -1 3 367.405 2.896 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cncc([O-])c1 ZINC000732394730 998652384 /nfs/dbraw/zinc/65/23/84/998652384.db2.gz STGKUFRLXCRAMD-GFCCVEGCSA-N -1 3 371.418 2.977 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])COc1cccc([N+](=O)[O-])c1 ZINC000845843497 998672599 /nfs/dbraw/zinc/67/25/99/998672599.db2.gz YEFOFJIJJOPLET-KRWDZBQOSA-N -1 3 364.357 2.983 20 30 FFEDHM CC(C)c1cccc(C(C)C)c1NC(=O)Cn1ccc(C=N[O-])nc1=O ZINC000736302825 999552369 /nfs/dbraw/zinc/55/23/69/999552369.db2.gz SMYQUIWEMPUAEK-UHFFFAOYSA-N -1 3 356.426 2.937 20 30 FFEDHM CCOC(=O)C1(Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)CCN(C)CC1 ZINC001169495064 1000053613 /nfs/dbraw/zinc/05/36/13/1000053613.db2.gz BGWDQBGMLKRGML-SRZZPIQSSA-N -1 3 373.375 2.953 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3c([O-])c(O)ccc3F)CC2)c1 ZINC000846662595 1000407132 /nfs/dbraw/zinc/40/71/32/1000407132.db2.gz UIAZUCJYROUQMK-UHFFFAOYSA-N -1 3 369.396 2.503 20 30 FFEDHM C#C[C@H]1CCCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000847031027 1000525639 /nfs/dbraw/zinc/52/56/39/1000525639.db2.gz PRQMKWMOZBAZFS-STQMWFEESA-N -1 3 373.478 2.876 20 30 FFEDHM C[C@H]1CC(=NNc2nc(=O)c3cnn(C)c3[n-]2)CCN1Cc1ccccc1 ZINC000769817182 1000611686 /nfs/dbraw/zinc/61/16/86/1000611686.db2.gz KPLAGYJNEHAFJN-ZDUSSCGKSA-N -1 3 365.441 2.521 20 30 FFEDHM Cc1ccc2nc(C(=O)[N-]c3c(C#N)cnc4c(C#N)cnn43)sc2c1 ZINC001147553625 1000914920 /nfs/dbraw/zinc/91/49/20/1000914920.db2.gz JOHVDSGVEDJZGZ-UHFFFAOYSA-N -1 3 359.374 2.643 20 30 FFEDHM N#CCN(C(=O)COC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000787846335 1001723426 /nfs/dbraw/zinc/72/34/26/1001723426.db2.gz VGGPVLJVBUBZNV-UHFFFAOYSA-N -1 3 370.380 2.954 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(C)cc32)ccc1F ZINC000746819671 1002101427 /nfs/dbraw/zinc/10/14/27/1002101427.db2.gz ZLWURUOBPQHLQX-UHFFFAOYSA-N -1 3 374.437 2.801 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1OC ZINC000790706525 1002466641 /nfs/dbraw/zinc/46/66/41/1002466641.db2.gz RKDIOFSQGSQACK-CYBMUJFWSA-N -1 3 356.378 2.717 20 30 FFEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc3nsnc3c2)cc1F ZINC001186261578 1003248912 /nfs/dbraw/zinc/24/89/12/1003248912.db2.gz SJWYDGDAZJBWHL-UHFFFAOYSA-N -1 3 352.347 2.642 20 30 FFEDHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(C#N)cc1C(F)(F)F ZINC001192077878 1004040416 /nfs/dbraw/zinc/04/04/16/1004040416.db2.gz WQCZOOPNUVVMLZ-UHFFFAOYSA-N -1 3 352.272 2.729 20 30 FFEDHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(C#N)cc1C(F)(F)F ZINC001192077878 1004040423 /nfs/dbraw/zinc/04/04/23/1004040423.db2.gz WQCZOOPNUVVMLZ-UHFFFAOYSA-N -1 3 352.272 2.729 20 30 FFEDHM C[C@H]1CCN(CCOc2cccc(C#N)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805785776 1004132341 /nfs/dbraw/zinc/13/23/41/1004132341.db2.gz OTYKDZOLHWJDBL-XEZPLFJOSA-N -1 3 369.387 2.714 20 30 FFEDHM N#Cc1cc(Br)cc([N-]S(=O)(=O)Cc2cccnc2)c1 ZINC001197456900 1004239695 /nfs/dbraw/zinc/23/96/95/1004239695.db2.gz ASQPWWZACAGIGW-UHFFFAOYSA-N -1 3 352.213 2.658 20 30 FFEDHM N#CCCN(Cc1cccnc1)C(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193143665 1004388865 /nfs/dbraw/zinc/38/88/65/1004388865.db2.gz AUVOFGVPNODJJR-UHFFFAOYSA-N -1 3 361.199 2.501 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2Br)cn1 ZINC001198317411 1004575261 /nfs/dbraw/zinc/57/52/61/1004575261.db2.gz HERDYWYMPKIAKL-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2C#N ZINC001198723179 1004711755 /nfs/dbraw/zinc/71/17/55/1004711755.db2.gz VJSYRLLPCGEOAX-CYBMUJFWSA-N -1 3 363.826 2.581 20 30 FFEDHM COc1nc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)c(C#N)c1 ZINC001198731300 1004715066 /nfs/dbraw/zinc/71/50/66/1004715066.db2.gz ZOFWZKQVMJKDFE-UHFFFAOYSA-N -1 3 372.233 2.747 20 30 FFEDHM Cc1ncc(NC(=S)Nc2ccc(C#N)cc2Br)c(=O)[n-]1 ZINC001201116611 1005169468 /nfs/dbraw/zinc/16/94/68/1005169468.db2.gz PPKDSRBPJXEBEE-UHFFFAOYSA-N -1 3 364.228 2.934 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ncc2F)cc1C#N ZINC001201294821 1005195479 /nfs/dbraw/zinc/19/54/79/1005195479.db2.gz DMYRDAPARKZXDD-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000776279687 1005345588 /nfs/dbraw/zinc/34/55/88/1005345588.db2.gz MNVFBQORIWKCQR-GFCCVEGCSA-N -1 3 354.362 2.840 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)c(=O)[n-]1 ZINC001273942078 1005346278 /nfs/dbraw/zinc/34/62/78/1005346278.db2.gz BKGQOCCXSJELGA-GOSISDBHSA-N -1 3 363.845 2.614 20 30 FFEDHM C#CCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccccc3[O-])C2)CCCCC1 ZINC001489430601 1005471006 /nfs/dbraw/zinc/47/10/06/1005471006.db2.gz CKZLYZADUOMLGL-SJLPKXTDSA-N -1 3 368.477 2.943 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-][C@@H](Cc1cccc(O)c1)C(=O)OC ZINC001188029287 1006386339 /nfs/dbraw/zinc/38/63/39/1006386339.db2.gz NZRXDNVQSREIJK-KRWDZBQOSA-N -1 3 371.499 2.756 20 30 FFEDHM COc1cccc2c1CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C2 ZINC001190666114 1007724822 /nfs/dbraw/zinc/72/48/22/1007724822.db2.gz VPEVEYIDDAKMQT-AWEZNQCLSA-N -1 3 360.410 2.542 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(OC3CCC3)n2)c1 ZINC001190677490 1007746688 /nfs/dbraw/zinc/74/66/88/1007746688.db2.gz OZNZPGYFAUQWTB-UHFFFAOYSA-N -1 3 361.398 2.502 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-]c2ccn3c(Br)cnc3c2)CC1 ZINC001190776715 1007778935 /nfs/dbraw/zinc/77/89/35/1007778935.db2.gz LXBSCPDKAYALSN-UHFFFAOYSA-N -1 3 356.245 2.947 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1 ZINC000860468395 1009017525 /nfs/dbraw/zinc/01/75/25/1009017525.db2.gz BYOXKINSCZBHTB-HNNXBMFYSA-N -1 3 351.410 2.699 20 30 FFEDHM C=CCOc1cccnc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180221689 1009599094 /nfs/dbraw/zinc/59/90/94/1009599094.db2.gz LUXXJUDJQBFAFF-HDJSIYSDSA-N -1 3 354.410 2.598 20 30 FFEDHM CC(=O)c1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1C ZINC001273460864 1009632176 /nfs/dbraw/zinc/63/21/76/1009632176.db2.gz PMUOSUSEWDJALQ-UHFFFAOYSA-N -1 3 358.423 2.815 20 30 FFEDHM CN(Cc1cc(C#N)cs1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000887969955 1009702919 /nfs/dbraw/zinc/70/29/19/1009702919.db2.gz PCDCWNMIQMSVRU-MRXNPFEDSA-N -1 3 369.446 2.589 20 30 FFEDHM CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001181246580 1010022712 /nfs/dbraw/zinc/02/27/12/1010022712.db2.gz UPCCPLIZWCZOIW-WPGHFRTFSA-N -1 3 357.410 2.990 20 30 FFEDHM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2c(F)ccc([O-])c2F)C1=O ZINC000794484304 1010115007 /nfs/dbraw/zinc/11/50/07/1010115007.db2.gz TUPFXXPFCPYOIE-SFHVURJKSA-N -1 3 359.332 2.862 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnc(F)cc2C)C1=O ZINC000867919227 1011120431 /nfs/dbraw/zinc/12/04/31/1011120431.db2.gz IIGBRYSWBODGKD-GOSISDBHSA-N -1 3 364.421 2.845 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924082724 1017118130 /nfs/dbraw/zinc/11/81/30/1017118130.db2.gz AWFUONIKCMITFK-JTQLQIEISA-N -1 3 364.352 2.665 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNc1ccc(C#N)nc1 ZINC001053266936 1018230328 /nfs/dbraw/zinc/23/03/28/1018230328.db2.gz OGDASGMIDULDJV-HUUCEWRRSA-N -1 3 350.422 2.869 20 30 FFEDHM O=C(COc1ccccc1)NCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901367775 1019011419 /nfs/dbraw/zinc/01/14/19/1019011419.db2.gz LKAXDDLSOUXPER-UHFFFAOYSA-N -1 3 364.401 2.753 20 30 FFEDHM COc1ccc(CN2C[C@@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC000901374511 1019016457 /nfs/dbraw/zinc/01/64/57/1019016457.db2.gz LNTALRPTKAXQFG-INIZCTEOSA-N -1 3 372.396 2.601 20 30 FFEDHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1ccc(C#N)c(C)n1 ZINC001048526206 1020278182 /nfs/dbraw/zinc/27/81/82/1020278182.db2.gz FDHIJDPFVRMNEL-DLBZAZTESA-N -1 3 350.422 2.755 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOCc1ccccc1 ZINC000119460039 1022567706 /nfs/dbraw/zinc/56/77/06/1022567706.db2.gz SKIGNMWROVBGDE-UHFFFAOYSA-N -1 3 354.406 2.556 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000750950666 1022734070 /nfs/dbraw/zinc/73/40/70/1022734070.db2.gz YXYBAZKQQLSTNQ-JAIQZWGSSA-N -1 3 363.458 2.654 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1nc(N)c2ccccc2n1 ZINC001122625852 1023376401 /nfs/dbraw/zinc/37/64/01/1023376401.db2.gz WUYJIFSROVNZFT-CQSZACIVSA-N -1 3 357.373 2.587 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(O[C@@H]3CCOC3)c2)c1 ZINC000755603222 1023613493 /nfs/dbraw/zinc/61/34/93/1023613493.db2.gz SEACQEIFYUBBCK-IAGOWNOFSA-N -1 3 365.389 2.519 20 30 FFEDHM CC(C)(C)[C@@H](N)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001218664240 1033267898 /nfs/dbraw/zinc/26/78/98/1033267898.db2.gz KPIRAWQBKBIZCH-BFNDQCEFSA-N -1 3 359.455 2.533 20 30 FFEDHM C[C@H](C#N)Oc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000091923645 1027135159 /nfs/dbraw/zinc/13/51/59/1027135159.db2.gz NTWAUDYOKTUNCN-MRXNPFEDSA-N -1 3 365.433 2.641 20 30 FFEDHM CCOC(=O)c1cc2c(c(C(=O)Nc3cccc(C#N)n3)c1[O-])CCCC2 ZINC001153929427 1028073518 /nfs/dbraw/zinc/07/35/18/1028073518.db2.gz ZSWCLBGRFCIMSC-UHFFFAOYSA-N -1 3 365.389 2.967 20 30 FFEDHM O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N([O-])CCCCc1ccccc1 ZINC001161807636 1028322304 /nfs/dbraw/zinc/32/23/04/1028322304.db2.gz LXXCRBWYHOOOSA-KRWDZBQOSA-N -1 3 356.422 2.869 20 30 FFEDHM CC(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)cc1 ZINC001154560739 1028353594 /nfs/dbraw/zinc/35/35/94/1028353594.db2.gz PBXGJJVCRFCDDR-GFCCVEGCSA-N -1 3 374.400 2.849 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NC[C@@H](O)c3cc4ccccc4o3)cc(=O)c2c1 ZINC001154560569 1028353893 /nfs/dbraw/zinc/35/38/93/1028353893.db2.gz NELCXVBIJYHTFI-GOSISDBHSA-N -1 3 373.368 2.609 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCC[C@@H]2CCNCC2(F)F)n1 ZINC001162809718 1028663892 /nfs/dbraw/zinc/66/38/92/1028663892.db2.gz DGDSTKZAIPFGTC-QOZVTFESSA-N -1 3 365.837 2.707 20 30 FFEDHM COC(=O)C12CCC(Nc3nc(SC)nc(Cl)c3/C=N/[O-])(CC1)C2 ZINC001162976022 1028741618 /nfs/dbraw/zinc/74/16/18/1028741618.db2.gz LWKAVOGEXDBXIY-REZTVBANSA-N -1 3 370.862 2.948 20 30 FFEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CCc2cc(C#N)ccc2C1 ZINC001164482106 1029291479 /nfs/dbraw/zinc/29/14/79/1029291479.db2.gz SKZZHHDNFWOAFD-UHFFFAOYSA-N -1 3 367.796 2.832 20 30 FFEDHM CO[C@@H]1Cc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2C1 ZINC000784235060 1030526567 /nfs/dbraw/zinc/52/65/67/1030526567.db2.gz GSJKXSBTCOFCER-QGZVFWFLSA-N -1 3 365.433 2.961 20 30 FFEDHM C=CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc([C@H](C)CC)cc2)nn1 ZINC000842690494 1030903611 /nfs/dbraw/zinc/90/36/11/1030903611.db2.gz VSWVHPWRJBKRDN-CZUORRHYSA-N -1 3 351.410 2.939 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2COCc3cc(Br)cnc32)[n-]1 ZINC001225469097 1034264767 /nfs/dbraw/zinc/26/47/67/1034264767.db2.gz GSRXSXHTIINTBT-CYBMUJFWSA-N -1 3 362.183 2.775 20 30 FFEDHM Cc1cc(C(=O)[O-])ccc1CN1CCC[C@]12CCN(CCCC#N)C2=O ZINC001277049333 1034279128 /nfs/dbraw/zinc/27/91/28/1034279128.db2.gz NKSRAGLDSNUWHP-HXUWFJFHSA-N -1 3 355.438 2.564 20 30 FFEDHM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001225679328 1034365801 /nfs/dbraw/zinc/36/58/01/1034365801.db2.gz NNIHKXHEFFLLPP-QGZVFWFLSA-N -1 3 352.390 2.825 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](COc3cccc(/C=N/[O-])c3)[C@H]2C1 ZINC001226109928 1034531028 /nfs/dbraw/zinc/53/10/28/1034531028.db2.gz LKLXOGIGDFCUBK-WIZGPGOZSA-N -1 3 362.426 2.755 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2Oc1nccc(/C=N/[O-])n1 ZINC001226252946 1034595596 /nfs/dbraw/zinc/59/55/96/1034595596.db2.gz BWEOKYVDBIOFOO-BHPWZNPOSA-N -1 3 362.430 2.699 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2Oc2nccc(/C=N/[O-])n2)C1 ZINC001226253361 1034595643 /nfs/dbraw/zinc/59/56/43/1034595643.db2.gz GYRWSVDYDAHVRQ-UIBRDTJHSA-N -1 3 362.430 2.843 20 30 FFEDHM C=CCOC[C@@H]1CN(Cc2cc(F)ccc2[O-])Cc2nnn(CC3CC3)c21 ZINC001140054399 1035323851 /nfs/dbraw/zinc/32/38/51/1035323851.db2.gz PIGHTAKCRBBDGR-INIZCTEOSA-N -1 3 372.444 2.835 20 30 FFEDHM C=CCC1(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCCCC1 ZINC001140821174 1036230080 /nfs/dbraw/zinc/23/00/80/1036230080.db2.gz MELUXVIKPWFQAD-UHFFFAOYSA-N -1 3 371.412 2.883 20 30 FFEDHM C=CCC1(NC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCCCC1 ZINC001140821174 1036230089 /nfs/dbraw/zinc/23/00/89/1036230089.db2.gz MELUXVIKPWFQAD-UHFFFAOYSA-N -1 3 371.412 2.883 20 30 FFEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2ccc(OC)c([O-])c2Cl)C1 ZINC001233402469 1036601623 /nfs/dbraw/zinc/60/16/23/1036601623.db2.gz QONGTDZGWHAONO-CYBMUJFWSA-N -1 3 354.834 2.931 20 30 FFEDHM COC(=O)c1cc(Br)cc([O-])c1OC1=C(C)O[C@H](C)C1=O ZINC001229585613 1036764571 /nfs/dbraw/zinc/76/45/71/1036764571.db2.gz RCVFSYHNEGFZRT-ZCFIWIBFSA-N -1 3 357.156 2.539 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001233799614 1036769004 /nfs/dbraw/zinc/76/90/04/1036769004.db2.gz MEHJZCBNHFIHLF-FVOVHSBVSA-N -1 3 366.414 2.518 20 30 FFEDHM N#Cc1cc([O-])cc(OC[C@H]2OCCc3cn(Cc4ccncc4)nc32)c1 ZINC001234141005 1036938242 /nfs/dbraw/zinc/93/82/42/1036938242.db2.gz NHUMPOGENYIUOV-LJQANCHMSA-N -1 3 362.389 2.596 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc(=O)[n-]c2c1SCC2 ZINC001230790498 1037359764 /nfs/dbraw/zinc/35/97/64/1037359764.db2.gz MASIKOAAIWWSAK-GFCCVEGCSA-N -1 3 365.455 2.775 20 30 FFEDHM N#Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001256102249 1038386463 /nfs/dbraw/zinc/38/64/63/1038386463.db2.gz KOILNXQLMCOCDZ-UHFFFAOYSA-N -1 3 352.362 2.584 20 30 FFEDHM N#Cc1cccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC001259472604 1040036897 /nfs/dbraw/zinc/03/68/97/1040036897.db2.gz GBHKTGHRYSENJK-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM COc1ccc(OCCCS(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC001259648293 1040134085 /nfs/dbraw/zinc/13/40/85/1040134085.db2.gz OYJRUMSITHCOGG-UHFFFAOYSA-N -1 3 364.398 2.917 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC001259750906 1040164211 /nfs/dbraw/zinc/16/42/11/1040164211.db2.gz MBRCRMXOAWVZGJ-IBGZPJMESA-N -1 3 373.474 2.755 20 30 FFEDHM Cc1nc(-c2ccc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cc2)no1 ZINC001260045004 1040374080 /nfs/dbraw/zinc/37/40/80/1040374080.db2.gz VYJPZGOJXQWXFV-UHFFFAOYSA-N -1 3 354.391 2.859 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC001260382304 1040567908 /nfs/dbraw/zinc/56/79/08/1040567908.db2.gz XNXURZWKWWRKPH-JGZJWPJOSA-N -1 3 361.236 2.949 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C#N)c2)cc1C ZINC001260638179 1040686302 /nfs/dbraw/zinc/68/63/02/1040686302.db2.gz SBEQOSNWBIKNCC-UHFFFAOYSA-N -1 3 359.407 2.635 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)OC ZINC001261013895 1040936415 /nfs/dbraw/zinc/93/64/15/1040936415.db2.gz GHHXOOVUHOISGB-CYBMUJFWSA-N -1 3 369.336 2.631 20 30 FFEDHM C=CCOC(=O)N1CCN(Cc2cc(C)c(Br)cc2[O-])CC1 ZINC001250136151 1041125588 /nfs/dbraw/zinc/12/55/88/1041125588.db2.gz NGOQUKAFGSUCMM-UHFFFAOYSA-N -1 3 369.259 2.903 20 30 FFEDHM Cn1cc(CN2CCC23CN(Cc2ccc(Cl)cc2[O-])C3)cc1C#N ZINC001278558410 1041151569 /nfs/dbraw/zinc/15/15/69/1041151569.db2.gz VIJYWZNWETUBEF-UHFFFAOYSA-N -1 3 356.857 2.716 20 30 FFEDHM C#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001309518081 1043418108 /nfs/dbraw/zinc/41/81/08/1043418108.db2.gz FOCMEEPVFPBWSX-UHFFFAOYSA-N -1 3 350.783 2.708 20 30 FFEDHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001319339410 1045116767 /nfs/dbraw/zinc/11/67/67/1045116767.db2.gz VZSSDSZGNCPICT-UHFFFAOYSA-N -1 3 371.462 2.699 20 30 FFEDHM Cn1ccc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)c1 ZINC001319601939 1045210128 /nfs/dbraw/zinc/21/01/28/1045210128.db2.gz UNIXIRRGGPKUEH-UHFFFAOYSA-N -1 3 354.435 2.912 20 30 FFEDHM CC(=O)c1ccc(C#N)c(NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001320381714 1045400044 /nfs/dbraw/zinc/40/00/44/1045400044.db2.gz ICHNMNSHPJELKO-UHFFFAOYSA-N -1 3 361.398 2.884 20 30 FFEDHM Cc1ccc(C2=NO[C@@H](C/N=C3/[N-]S(=O)(=O)c4ccccc43)C2)cc1C ZINC001321260076 1045604774 /nfs/dbraw/zinc/60/47/74/1045604774.db2.gz XHGCUNPAFWJMNA-OAHLLOKOSA-N -1 3 369.446 2.535 20 30 FFEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnc(CC2CC2)o1 ZINC001324161586 1045898685 /nfs/dbraw/zinc/89/86/85/1045898685.db2.gz UINPXYHKFYWPIK-AWEZNQCLSA-N -1 3 374.466 2.848 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001324711318 1046180737 /nfs/dbraw/zinc/18/07/37/1046180737.db2.gz SMZFVDQNDBKETB-LLVKDONJSA-N -1 3 369.259 2.632 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ncoc3C3CC3)sc2C1 ZINC001329654716 1048835842 /nfs/dbraw/zinc/83/58/42/1048835842.db2.gz QAWPSBGUWYSDEA-UHFFFAOYSA-N -1 3 356.407 2.642 20 30 FFEDHM C=CCC[C@@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001330687789 1049273339 /nfs/dbraw/zinc/27/33/39/1049273339.db2.gz OVRKMNJAFNSZFS-LLVKDONJSA-N -1 3 363.170 2.939 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(CCC(F)(F)F)n1 ZINC001341940116 1050536634 /nfs/dbraw/zinc/53/66/34/1050536634.db2.gz CPOWNWXMWLEEAR-LBPRGKRZSA-N -1 3 350.300 2.797 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001342024857 1050622642 /nfs/dbraw/zinc/62/26/42/1050622642.db2.gz JRHYQIKESBJMRU-HRAATJIYSA-N -1 3 374.448 2.795 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCN(c2ccccc2)CC1 ZINC001342197006 1050789614 /nfs/dbraw/zinc/78/96/14/1050789614.db2.gz AJMDJNVXEIFXJV-UHFFFAOYSA-N -1 3 366.425 2.541 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(C2CCOCC2)CC1 ZINC001342854441 1051462856 /nfs/dbraw/zinc/46/28/56/1051462856.db2.gz VHSYCNJPUFLCAE-UHFFFAOYSA-N -1 3 373.457 2.858 20 30 FFEDHM N#Cc1sccc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001304567222 1051643488 /nfs/dbraw/zinc/64/34/88/1051643488.db2.gz HLLLQMQXZNGWDC-UHFFFAOYSA-N -1 3 352.375 2.952 20 30 FFEDHM N#Cc1sccc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001304567222 1051643493 /nfs/dbraw/zinc/64/34/93/1051643493.db2.gz HLLLQMQXZNGWDC-UHFFFAOYSA-N -1 3 352.375 2.952 20 30 FFEDHM Cc1cc(F)c(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)c(F)c1 ZINC001306892692 1052213858 /nfs/dbraw/zinc/21/38/58/1052213858.db2.gz LJAUXIWKBSHBFG-UHFFFAOYSA-N -1 3 374.343 2.791 20 30 FFEDHM CN1CCN([C@H](C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC001306899329 1052216753 /nfs/dbraw/zinc/21/67/53/1052216753.db2.gz ZUOWEANOQBUAJG-IBGZPJMESA-N -1 3 357.429 2.532 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1ccccc1OC ZINC001343639954 1052351199 /nfs/dbraw/zinc/35/11/99/1052351199.db2.gz LBLQFNSYBIXZNC-UHFFFAOYSA-N -1 3 355.398 2.860 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001345746450 1052598757 /nfs/dbraw/zinc/59/87/57/1052598757.db2.gz RYEIMMHWVGNCIC-JOCHJYFZSA-N -1 3 362.429 2.517 20 30 FFEDHM Cc1c([C@H](C)[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cnn1C ZINC001334814440 1053091661 /nfs/dbraw/zinc/09/16/61/1053091661.db2.gz CBPISDFCWXWYEA-JTQLQIEISA-N -1 3 360.464 2.854 20 30 FFEDHM O=C([C@@H]1CC12CCS(=O)(=O)CC2)N([O-])Cc1cccc2ccccc21 ZINC001334856835 1053117651 /nfs/dbraw/zinc/11/76/51/1053117651.db2.gz IYMQOTQVUSTWCK-KRWDZBQOSA-N -1 3 359.447 2.773 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)cc1C1CC1 ZINC001356265500 1055423623 /nfs/dbraw/zinc/42/36/23/1055423623.db2.gz IYFMCPKRIKHOST-ZDUSSCGKSA-N -1 3 352.394 2.750 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3nc(C)no3)n2C)c1[O-] ZINC001338676184 1055721866 /nfs/dbraw/zinc/72/18/66/1055721866.db2.gz PJOZFYMKNDZLMW-UHFFFAOYSA-N -1 3 354.414 2.634 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 ZINC001338963456 1055971022 /nfs/dbraw/zinc/97/10/22/1055971022.db2.gz MOYIGQDRTZHFIL-QWHCGFSZSA-N -1 3 360.487 2.737 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CCn3cccn3)n2C)c1[O-] ZINC001351291356 1056175469 /nfs/dbraw/zinc/17/54/69/1056175469.db2.gz PVNPQRPEPHDCIP-UHFFFAOYSA-N -1 3 352.442 2.639 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(Cc1ccco1)C(C)C ZINC001339197982 1056193625 /nfs/dbraw/zinc/19/36/25/1056193625.db2.gz UCHAAWXHIZMMSC-UHFFFAOYSA-N -1 3 354.414 2.943 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1 ZINC000847624329 1056197850 /nfs/dbraw/zinc/19/78/50/1056197850.db2.gz ULCHHYQKGWXFAW-HNNXBMFYSA-N -1 3 365.437 2.629 20 30 FFEDHM CCn1c(-c2c[n-]c3c(F)cc(F)cc3c2=O)nnc1N(C)C[C@H](C)C#N ZINC001339585027 1056611252 /nfs/dbraw/zinc/61/12/52/1056611252.db2.gz DHZNJGMMUUXEFD-SNVBAGLBSA-N -1 3 372.379 2.681 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](CCF)C1 ZINC001515001187 1059208594 /nfs/dbraw/zinc/20/85/94/1059208594.db2.gz BRNXBNNXBKNAPL-AWEZNQCLSA-N -1 3 360.437 2.901 20 30 FFEDHM CC#CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001515331809 1059564876 /nfs/dbraw/zinc/56/48/76/1059564876.db2.gz LVZIXSKCINIVNK-SJORKVTESA-N -1 3 356.466 2.943 20 30 FFEDHM CO[C@H]1CCn2cc(C([O-])=C(C#N)c3nc4c(cccc4Cl)[nH]3)nc2C1 ZINC001517123618 1060356196 /nfs/dbraw/zinc/35/61/96/1060356196.db2.gz LMRLLAZDRKRQGT-WDEREUQCSA-N -1 3 369.812 2.864 20 30 FFEDHM CC(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001517495033 1060524226 /nfs/dbraw/zinc/52/42/26/1060524226.db2.gz UDGSVIAFBMOLKZ-UHFFFAOYSA-N -1 3 368.832 2.764 20 30 FFEDHM CC(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001517495033 1060524243 /nfs/dbraw/zinc/52/42/43/1060524243.db2.gz UDGSVIAFBMOLKZ-UHFFFAOYSA-N -1 3 368.832 2.764 20 30 FFEDHM N#Cc1cc([N-]C(=O)c2ccc(Cn3ccnn3)o2)c(Cl)c([N+](=O)[O-])c1 ZINC001458166363 1060529292 /nfs/dbraw/zinc/52/92/92/1060529292.db2.gz CWQVYZACTBJBMM-UHFFFAOYSA-N -1 3 372.728 2.605 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCC1Cc2ccccc2C1)C(=O)OCC ZINC001475629094 1061173565 /nfs/dbraw/zinc/17/35/65/1061173565.db2.gz KNKDAXXGYJJUAC-GOSISDBHSA-N -1 3 365.495 2.609 20 30 FFEDHM O=C(NCCCc1c[n-][nH]c1=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001475847243 1061299057 /nfs/dbraw/zinc/29/90/57/1061299057.db2.gz BNPSEEODJMDHSB-SFHVURJKSA-N -1 3 360.417 2.720 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC001464869063 1062883260 /nfs/dbraw/zinc/88/32/60/1062883260.db2.gz KPHYLZHDLSRGQN-UHFFFAOYSA-N -1 3 372.428 2.717 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC(=O)N2)c1nc(N)c2ccccc2n1 ZINC001524677181 1062948477 /nfs/dbraw/zinc/94/84/77/1062948477.db2.gz APLMDYQUVMBYFD-OAHLLOKOSA-N -1 3 371.400 2.977 20 30 FFEDHM O=C(CNC(=O)c1ccc(F)cc1F)N([O-])Cc1ccccc1Cl ZINC001472618744 1065113383 /nfs/dbraw/zinc/11/33/83/1065113383.db2.gz GKOWCDQBFMSOHQ-UHFFFAOYSA-N -1 3 354.740 2.766 20 30 FFEDHM N#Cc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)c2Br)cc1 ZINC001581873409 1079010917 /nfs/dbraw/zinc/01/09/17/1079010917.db2.gz ACIHYLCKGGYDDU-UHFFFAOYSA-N -1 3 370.166 2.720 20 30 FFEDHM N#Cc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)c2Br)cc1 ZINC001581873409 1079010923 /nfs/dbraw/zinc/01/09/23/1079010923.db2.gz ACIHYLCKGGYDDU-UHFFFAOYSA-N -1 3 370.166 2.720 20 30 FFEDHM CC(C)(C)c1ccc(Oc2ccc(C(=O)N[C@H]3CCN([O-])C3=O)cn2)cc1 ZINC001556750602 1075772012 /nfs/dbraw/zinc/77/20/12/1075772012.db2.gz PVRVHHLNDXTBQP-INIZCTEOSA-N -1 3 369.421 2.891 20 30 FFEDHM Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001558977768 1076108898 /nfs/dbraw/zinc/10/88/98/1076108898.db2.gz ACVVUIDIMZWXJC-KGLIPLIRSA-N -1 3 366.421 2.669 20 30 FFEDHM CC(=O)[C@](C#N)(CCSc1nc2c(cnn2C)c(=O)[n-]1)c1ccccc1 ZINC001559440708 1076159893 /nfs/dbraw/zinc/15/98/93/1076159893.db2.gz OCHNPBRPHOAGBC-GOSISDBHSA-N -1 3 367.434 2.602 20 30 FFEDHM CCO[C@@H]1C[C@H](N(C)Cc2cc(=O)n3[n-]cc(C#N)c3n2)C12CCCCC2 ZINC001559574393 1076174064 /nfs/dbraw/zinc/17/40/64/1076174064.db2.gz YLVJSLXKXPKIAI-DLBZAZTESA-N -1 3 369.469 2.866 20 30 FFEDHM Cc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc(C)c1Br ZINC001562755852 1076515158 /nfs/dbraw/zinc/51/51/58/1076515158.db2.gz GWGAGWVLUAKVEI-LLVKDONJSA-N -1 3 356.220 2.568 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C)n1CC(=C)C ZINC001573340968 1077675296 /nfs/dbraw/zinc/67/52/96/1077675296.db2.gz CPANRNLOUXOOQT-UHFFFAOYSA-N -1 3 350.430 2.535 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C)n1CC(=C)C ZINC001573340968 1077675298 /nfs/dbraw/zinc/67/52/98/1077675298.db2.gz CPANRNLOUXOOQT-UHFFFAOYSA-N -1 3 350.430 2.535 20 30 FFEDHM N#Cc1ccc(Br)c(CN[C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001574485449 1077999973 /nfs/dbraw/zinc/99/99/73/1077999973.db2.gz GSFNPCJNMVCDOM-OAHLLOKOSA-N -1 3 360.211 2.501 20 30 FFEDHM C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC001585919351 1079513677 /nfs/dbraw/zinc/51/36/77/1079513677.db2.gz QOXAUCFUHKDXEX-KRWDZBQOSA-N -1 3 374.437 2.617 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588325518 1079983332 /nfs/dbraw/zinc/98/33/32/1079983332.db2.gz NSHYMSYDLHEBNP-IBGZPJMESA-N -1 3 365.393 2.570 20 30 FFEDHM C#C[C@H](CC)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588326245 1079983782 /nfs/dbraw/zinc/98/37/82/1079983782.db2.gz HSQGELTZSNTPJR-QGZVFWFLSA-N -1 3 361.405 2.587 20 30 FFEDHM C#C[C@H](CC)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588326245 1079983787 /nfs/dbraw/zinc/98/37/87/1079983787.db2.gz HSQGELTZSNTPJR-QGZVFWFLSA-N -1 3 361.405 2.587 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccc(F)cc1 ZINC001588329196 1079985125 /nfs/dbraw/zinc/98/51/25/1079985125.db2.gz AFGOTHFRMUMSIA-OAHLLOKOSA-N -1 3 350.357 2.810 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccc(F)cc1 ZINC001588329196 1079985132 /nfs/dbraw/zinc/98/51/32/1079985132.db2.gz AFGOTHFRMUMSIA-OAHLLOKOSA-N -1 3 350.357 2.810 20 30 FFEDHM C#C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC001588330154 1079987777 /nfs/dbraw/zinc/98/77/77/1079987777.db2.gz VZSWIHLOTSOSQS-CQSZACIVSA-N -1 3 373.750 2.903 20 30 FFEDHM C#C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC001588330154 1079987780 /nfs/dbraw/zinc/98/77/80/1079987780.db2.gz VZSWIHLOTSOSQS-CQSZACIVSA-N -1 3 373.750 2.903 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CCC ZINC001588345938 1079990388 /nfs/dbraw/zinc/99/03/88/1079990388.db2.gz WHHCJQPHHKZVGN-UHFFFAOYSA-N -1 3 364.457 2.775 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CCC ZINC001588345938 1079990392 /nfs/dbraw/zinc/99/03/92/1079990392.db2.gz WHHCJQPHHKZVGN-UHFFFAOYSA-N -1 3 364.457 2.775 20 30 FFEDHM C#CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCc2ccccc21 ZINC001588348463 1079991982 /nfs/dbraw/zinc/99/19/82/1079991982.db2.gz XKMYGHMRLIBSGL-KRWDZBQOSA-N -1 3 373.420 2.806 20 30 FFEDHM C#CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCc2ccccc21 ZINC001588348463 1079991987 /nfs/dbraw/zinc/99/19/87/1079991987.db2.gz XKMYGHMRLIBSGL-KRWDZBQOSA-N -1 3 373.420 2.806 20 30 FFEDHM C#CCN(CC1CC1)c1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001588350838 1079992280 /nfs/dbraw/zinc/99/22/80/1079992280.db2.gz RZUIYGKTIJVSKU-UHFFFAOYSA-N -1 3 350.195 2.618 20 30 FFEDHM C#CCN(CC1CC1)c1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001588350838 1079992284 /nfs/dbraw/zinc/99/22/84/1079992284.db2.gz RZUIYGKTIJVSKU-UHFFFAOYSA-N -1 3 350.195 2.618 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@@H](C)CC2 ZINC001588360134 1079992665 /nfs/dbraw/zinc/99/26/65/1079992665.db2.gz JHUGJRYGKSHVLZ-HBNTYKKESA-N -1 3 359.455 2.591 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@@H](C)CC2 ZINC001588360134 1079992667 /nfs/dbraw/zinc/99/26/67/1079992667.db2.gz JHUGJRYGKSHVLZ-HBNTYKKESA-N -1 3 359.455 2.591 20 30 FFEDHM C#CCOc1ccccc1CNC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588363059 1079993958 /nfs/dbraw/zinc/99/39/58/1079993958.db2.gz HZQVDXPDKUFFLR-UHFFFAOYSA-N -1 3 368.422 2.570 20 30 FFEDHM C#CCOc1ccccc1CNC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588363059 1079993962 /nfs/dbraw/zinc/99/39/62/1079993962.db2.gz HZQVDXPDKUFFLR-UHFFFAOYSA-N -1 3 368.422 2.570 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)nc1 ZINC001588373906 1079996344 /nfs/dbraw/zinc/99/63/44/1079996344.db2.gz WJSVLTNDVRLTRF-UHFFFAOYSA-N -1 3 362.393 2.673 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)nc1 ZINC001588373906 1079996349 /nfs/dbraw/zinc/99/63/49/1079996349.db2.gz WJSVLTNDVRLTRF-UHFFFAOYSA-N -1 3 362.393 2.673 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001588404234 1080011585 /nfs/dbraw/zinc/01/15/85/1080011585.db2.gz FYVSMNSRWSSDHU-NSHDSACASA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001588404234 1080011591 /nfs/dbraw/zinc/01/15/91/1080011591.db2.gz FYVSMNSRWSSDHU-NSHDSACASA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588411761 1080015011 /nfs/dbraw/zinc/01/50/11/1080015011.db2.gz JGDTVVKYGPCOHX-HNNXBMFYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588411761 1080015020 /nfs/dbraw/zinc/01/50/20/1080015020.db2.gz JGDTVVKYGPCOHX-HNNXBMFYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=C(C)Cn1c(-c2cncc(-c3nnn[n-]3)c2)nnc1N(C)[C@H](C)CCC ZINC001588436005 1080026696 /nfs/dbraw/zinc/02/66/96/1080026696.db2.gz GANAOCJDTMEORC-CYBMUJFWSA-N -1 3 367.461 2.721 20 30 FFEDHM C=C(C)Cn1c(-c2cncc(-c3nn[n-]n3)c2)nnc1N(C)[C@H](C)CCC ZINC001588436005 1080026705 /nfs/dbraw/zinc/02/67/05/1080026705.db2.gz GANAOCJDTMEORC-CYBMUJFWSA-N -1 3 367.461 2.721 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CCCC ZINC001588436603 1080027030 /nfs/dbraw/zinc/02/70/30/1080027030.db2.gz NDAROFPSPICACV-UHFFFAOYSA-N -1 3 352.446 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CCCC ZINC001588436603 1080027040 /nfs/dbraw/zinc/02/70/40/1080027040.db2.gz NDAROFPSPICACV-UHFFFAOYSA-N -1 3 352.446 2.938 20 30 FFEDHM C=C(C)Cn1c(C2CCC2)nnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588438629 1080028101 /nfs/dbraw/zinc/02/81/01/1080028101.db2.gz WWQPTSSLIWTVDF-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(C2CCC2)nnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588438629 1080028107 /nfs/dbraw/zinc/02/81/07/1080028107.db2.gz WWQPTSSLIWTVDF-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C1CC(C)(C(=O)NC2CC(CNc3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001588455144 1080032207 /nfs/dbraw/zinc/03/22/07/1080032207.db2.gz OCXOQQFEYOZFCI-UHFFFAOYSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)NC2CC(CNc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001588455144 1080032214 /nfs/dbraw/zinc/03/22/14/1080032214.db2.gz OCXOQQFEYOZFCI-UHFFFAOYSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588454716 1080033548 /nfs/dbraw/zinc/03/35/48/1080033548.db2.gz GQGUTLAZWYZMAG-STQMWFEESA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588454716 1080033554 /nfs/dbraw/zinc/03/35/54/1080033554.db2.gz GQGUTLAZWYZMAG-STQMWFEESA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588462044 1080036711 /nfs/dbraw/zinc/03/67/11/1080036711.db2.gz BCSKTWFSBVMJIO-GFCCVEGCSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588462044 1080036722 /nfs/dbraw/zinc/03/67/22/1080036722.db2.gz BCSKTWFSBVMJIO-GFCCVEGCSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C1CCC(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001588461958 1080037766 /nfs/dbraw/zinc/03/77/66/1080037766.db2.gz YOWWXUBGBPYZDN-KRWDZBQOSA-N -1 3 353.426 2.513 20 30 FFEDHM C=C1CCC(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001588461958 1080037777 /nfs/dbraw/zinc/03/77/77/1080037777.db2.gz YOWWXUBGBPYZDN-KRWDZBQOSA-N -1 3 353.426 2.513 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001588462305 1080037863 /nfs/dbraw/zinc/03/78/63/1080037863.db2.gz BONHIVPAQYEEBT-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001588462305 1080037869 /nfs/dbraw/zinc/03/78/69/1080037869.db2.gz BONHIVPAQYEEBT-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588492214 1080053919 /nfs/dbraw/zinc/05/39/19/1080053919.db2.gz PNBFAXBKTDJOCY-LJQANCHMSA-N -1 3 355.442 2.839 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588492480 1080054652 /nfs/dbraw/zinc/05/46/52/1080054652.db2.gz RTZHLWMUVJQTFO-KZULUSFZSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588492480 1080054659 /nfs/dbraw/zinc/05/46/59/1080054659.db2.gz RTZHLWMUVJQTFO-KZULUSFZSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588495271 1080058034 /nfs/dbraw/zinc/05/80/34/1080058034.db2.gz ARVYPVMZRRQODF-CLCXKQKWSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588495271 1080058042 /nfs/dbraw/zinc/05/80/42/1080058042.db2.gz ARVYPVMZRRQODF-CLCXKQKWSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588496267 1080059835 /nfs/dbraw/zinc/05/98/35/1080059835.db2.gz OOHPQVKFWDMJDU-PJIJBLCYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588496267 1080059843 /nfs/dbraw/zinc/05/98/43/1080059843.db2.gz OOHPQVKFWDMJDU-PJIJBLCYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC1(CC(=O)N[C@H](C)CNc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001588527775 1080078586 /nfs/dbraw/zinc/07/85/86/1080078586.db2.gz WGJLIWSEDHLEBQ-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC1(CC(=O)N[C@H](C)CNc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001588527775 1080078595 /nfs/dbraw/zinc/07/85/95/1080078595.db2.gz WGJLIWSEDHLEBQ-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1)c1ccccc1 ZINC001588530245 1080080319 /nfs/dbraw/zinc/08/03/19/1080080319.db2.gz JEKBNKRVLVXEDX-MRXNPFEDSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1)c1ccccc1 ZINC001588530245 1080080329 /nfs/dbraw/zinc/08/03/29/1080080329.db2.gz JEKBNKRVLVXEDX-MRXNPFEDSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588531792 1080081060 /nfs/dbraw/zinc/08/10/60/1080081060.db2.gz IPBOREGOGDQVRD-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588531792 1080081069 /nfs/dbraw/zinc/08/10/69/1080081069.db2.gz IPBOREGOGDQVRD-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC[C@@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588532317 1080082111 /nfs/dbraw/zinc/08/21/11/1080082111.db2.gz RWHKYFBQZSKYNM-QGZVFWFLSA-N -1 3 362.389 2.953 20 30 FFEDHM C=CC[C@@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588532317 1080082120 /nfs/dbraw/zinc/08/21/20/1080082120.db2.gz RWHKYFBQZSKYNM-QGZVFWFLSA-N -1 3 362.389 2.953 20 30 FFEDHM C=CCC(C)(C)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001588533263 1080083924 /nfs/dbraw/zinc/08/39/24/1080083924.db2.gz SWUZCRCUHNBEBZ-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC(C)(C)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001588533263 1080083934 /nfs/dbraw/zinc/08/39/34/1080083934.db2.gz SWUZCRCUHNBEBZ-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCCN(CC)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588538806 1080086400 /nfs/dbraw/zinc/08/64/00/1080086400.db2.gz YZSZYFWLYDCWMZ-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCCN(CC)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588538806 1080086410 /nfs/dbraw/zinc/08/64/10/1080086410.db2.gz YZSZYFWLYDCWMZ-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CCC(C)(C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588539551 1080086687 /nfs/dbraw/zinc/08/66/87/1080086687.db2.gz PQMYUORXHGVIRU-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=CCC(C)(C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588539551 1080086695 /nfs/dbraw/zinc/08/66/95/1080086695.db2.gz PQMYUORXHGVIRU-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588541985 1080087816 /nfs/dbraw/zinc/08/78/16/1080087816.db2.gz VLGBDYKZKLIDRG-OAHLLOKOSA-N -1 3 366.429 2.588 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588541985 1080087826 /nfs/dbraw/zinc/08/78/26/1080087826.db2.gz VLGBDYKZKLIDRG-OAHLLOKOSA-N -1 3 366.429 2.588 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588544618 1080088734 /nfs/dbraw/zinc/08/87/34/1080088734.db2.gz NDFFPKXLKVMNFU-CYBMUJFWSA-N -1 3 372.448 2.715 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588544618 1080088743 /nfs/dbraw/zinc/08/87/43/1080088743.db2.gz NDFFPKXLKVMNFU-CYBMUJFWSA-N -1 3 372.448 2.715 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001588552482 1080092395 /nfs/dbraw/zinc/09/23/95/1080092395.db2.gz XXUFOGTUODZFLJ-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001588552482 1080092402 /nfs/dbraw/zinc/09/24/02/1080092402.db2.gz XXUFOGTUODZFLJ-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001588559171 1080097152 /nfs/dbraw/zinc/09/71/52/1080097152.db2.gz HTQCLEMBAKGQNI-HIFRSBDPSA-N -1 3 371.441 2.505 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588559171 1080097162 /nfs/dbraw/zinc/09/71/62/1080097162.db2.gz HTQCLEMBAKGQNI-HIFRSBDPSA-N -1 3 371.441 2.505 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001588567693 1080101235 /nfs/dbraw/zinc/10/12/35/1080101235.db2.gz XBBMZPNJSUAVMX-CHWSQXEVSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001588567693 1080101240 /nfs/dbraw/zinc/10/12/40/1080101240.db2.gz XBBMZPNJSUAVMX-CHWSQXEVSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCC(=O)N[C@H]1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588569568 1080102599 /nfs/dbraw/zinc/10/25/99/1080102599.db2.gz CVEFCNCBBDRVDA-OLZOCXBDSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCC(=O)N[C@H]1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588569568 1080102603 /nfs/dbraw/zinc/10/26/03/1080102603.db2.gz CVEFCNCBBDRVDA-OLZOCXBDSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCC(C)(C)NC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588577608 1080105248 /nfs/dbraw/zinc/10/52/48/1080105248.db2.gz JGLGNFOBIKDDMM-UHFFFAOYSA-N -1 3 354.336 2.755 20 30 FFEDHM C=CCCCCCCNC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588594344 1080116746 /nfs/dbraw/zinc/11/67/46/1080116746.db2.gz TVDYHNKRCFNEAE-KRWDZBQOSA-N -1 3 354.458 2.770 20 30 FFEDHM C=CCCCCCCNC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588594344 1080116749 /nfs/dbraw/zinc/11/67/49/1080116749.db2.gz TVDYHNKRCFNEAE-KRWDZBQOSA-N -1 3 354.458 2.770 20 30 FFEDHM C=CCCCCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588596798 1080117635 /nfs/dbraw/zinc/11/76/35/1080117635.db2.gz ZQHNQIKQVHHRQW-KRWDZBQOSA-N -1 3 354.458 2.698 20 30 FFEDHM C=CCCN(OCc1ccccc1)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588603780 1080120544 /nfs/dbraw/zinc/12/05/44/1080120544.db2.gz VRMVUEMQLQTOQA-UHFFFAOYSA-N -1 3 364.409 2.720 20 30 FFEDHM C=CCCN(OCc1ccccc1)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588603780 1080120549 /nfs/dbraw/zinc/12/05/49/1080120549.db2.gz VRMVUEMQLQTOQA-UHFFFAOYSA-N -1 3 364.409 2.720 20 30 FFEDHM C=CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCC1(C)CC1 ZINC001588626580 1080127602 /nfs/dbraw/zinc/12/76/02/1080127602.db2.gz LHQIXNIMIOTPNB-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCC1(C)CC1 ZINC001588626580 1080127608 /nfs/dbraw/zinc/12/76/08/1080127608.db2.gz LHQIXNIMIOTPNB-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)C(F)(F)F ZINC001588640052 1080133007 /nfs/dbraw/zinc/13/30/07/1080133007.db2.gz JAIYDXWRQVGDGB-LLVKDONJSA-N -1 3 353.348 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)C(F)(F)F ZINC001588640052 1080133014 /nfs/dbraw/zinc/13/30/14/1080133014.db2.gz JAIYDXWRQVGDGB-LLVKDONJSA-N -1 3 353.348 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc(C=O)cc1 ZINC001588640477 1080133820 /nfs/dbraw/zinc/13/38/20/1080133820.db2.gz SZPFWAFJWGIREY-KHPPLWFESA-N -1 3 373.416 2.907 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc(C=O)cc1 ZINC001588640477 1080133824 /nfs/dbraw/zinc/13/38/24/1080133824.db2.gz SZPFWAFJWGIREY-KHPPLWFESA-N -1 3 373.416 2.907 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC001588641318 1080134418 /nfs/dbraw/zinc/13/44/18/1080134418.db2.gz BWMVZPNUWPNEGZ-SJORKVTESA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@@H](CC)C1 ZINC001588641318 1080134423 /nfs/dbraw/zinc/13/44/23/1080134423.db2.gz BWMVZPNUWPNEGZ-SJORKVTESA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCSCC ZINC001588641399 1080134487 /nfs/dbraw/zinc/13/44/87/1080134487.db2.gz DZSAVKDRPIOPFS-UHFFFAOYSA-N -1 3 360.487 2.708 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCSCC ZINC001588641399 1080134493 /nfs/dbraw/zinc/13/44/93/1080134493.db2.gz DZSAVKDRPIOPFS-UHFFFAOYSA-N -1 3 360.487 2.708 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCC(F)F ZINC001588641711 1080134897 /nfs/dbraw/zinc/13/48/97/1080134897.db2.gz KUJRIXSAEZWYJU-UHFFFAOYSA-N -1 3 350.373 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCC(F)F ZINC001588641711 1080134902 /nfs/dbraw/zinc/13/49/02/1080134902.db2.gz KUJRIXSAEZWYJU-UHFFFAOYSA-N -1 3 350.373 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ncc(OC)s1 ZINC001588649103 1080139404 /nfs/dbraw/zinc/13/94/04/1080139404.db2.gz HRHDUGPOXXUFQQ-UHFFFAOYSA-N -1 3 371.426 2.552 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ncc(OC)s1 ZINC001588649103 1080139410 /nfs/dbraw/zinc/13/94/10/1080139410.db2.gz HRHDUGPOXXUFQQ-UHFFFAOYSA-N -1 3 371.426 2.552 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1COC ZINC001588649088 1080139437 /nfs/dbraw/zinc/13/94/37/1080139437.db2.gz ZNDZCYLIOUTEOU-UHFFFAOYSA-N -1 3 363.421 2.842 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1COC ZINC001588649088 1080139440 /nfs/dbraw/zinc/13/94/40/1080139440.db2.gz ZNDZCYLIOUTEOU-UHFFFAOYSA-N -1 3 363.421 2.842 20 30 FFEDHM C=C[C@H](C(=O)[O-])N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588669257 1080148500 /nfs/dbraw/zinc/14/85/00/1080148500.db2.gz HNVOJGNPRJGHAM-ARFHVFGLSA-N -1 3 364.417 2.757 20 30 FFEDHM C=CCOc1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001588689270 1080155897 /nfs/dbraw/zinc/15/58/97/1080155897.db2.gz CGCLUSRXZQKWAF-UHFFFAOYSA-N -1 3 353.338 2.919 20 30 FFEDHM C=CCOc1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001588689270 1080155902 /nfs/dbraw/zinc/15/59/02/1080155902.db2.gz CGCLUSRXZQKWAF-UHFFFAOYSA-N -1 3 353.338 2.919 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588689281 1080156032 /nfs/dbraw/zinc/15/60/32/1080156032.db2.gz CYUHBMNCWSVCAQ-UHFFFAOYSA-N -1 3 374.404 2.843 20 30 FFEDHM C=CCc1ccccc1OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588695233 1080159832 /nfs/dbraw/zinc/15/98/32/1080159832.db2.gz RQVJWMQKMRJWJN-ZDUSSCGKSA-N -1 3 350.378 2.968 20 30 FFEDHM C=CCc1ccccc1OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588695233 1080159836 /nfs/dbraw/zinc/15/98/36/1080159836.db2.gz RQVJWMQKMRJWJN-ZDUSSCGKSA-N -1 3 350.378 2.968 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H](C)C1 ZINC001588699809 1080160497 /nfs/dbraw/zinc/16/04/97/1080160497.db2.gz NTOHSDHYNCCJKZ-ZDUSSCGKSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H](C)C1 ZINC001588699809 1080160503 /nfs/dbraw/zinc/16/05/03/1080160503.db2.gz NTOHSDHYNCCJKZ-ZDUSSCGKSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COc2ccc(-c3nnn[n-]3)c(OC)c2)c1C ZINC001588703116 1080161658 /nfs/dbraw/zinc/16/16/58/1080161658.db2.gz KHMZWFUKHVDTHH-UHFFFAOYSA-N -1 3 367.409 2.741 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COc2ccc(-c3nn[n-]n3)c(OC)c2)c1C ZINC001588703116 1080161663 /nfs/dbraw/zinc/16/16/63/1080161663.db2.gz KHMZWFUKHVDTHH-UHFFFAOYSA-N -1 3 367.409 2.741 20 30 FFEDHM CC#CCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC001588745776 1080178929 /nfs/dbraw/zinc/17/89/29/1080178929.db2.gz CZUNCHYKSUCAGT-UHFFFAOYSA-N -1 3 361.427 2.545 20 30 FFEDHM CC#CCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC001588745776 1080178933 /nfs/dbraw/zinc/17/89/33/1080178933.db2.gz CZUNCHYKSUCAGT-UHFFFAOYSA-N -1 3 361.427 2.545 20 30 FFEDHM CC(C)c1c(Cl)ncnc1N=NC(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588781128 1080193824 /nfs/dbraw/zinc/19/38/24/1080193824.db2.gz GNOGTMFXURHCMX-UHFFFAOYSA-N -1 3 357.809 2.665 20 30 FFEDHM CC(C)c1c(Cl)ncnc1N=NC(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588781128 1080193829 /nfs/dbraw/zinc/19/38/29/1080193829.db2.gz GNOGTMFXURHCMX-UHFFFAOYSA-N -1 3 357.809 2.665 20 30 FFEDHM C[C@@H](C#N)CN(C)c1c(-c2nnn[n-]2)cnc2c(Br)cccc21 ZINC001588931444 1080269931 /nfs/dbraw/zinc/26/99/31/1080269931.db2.gz ZIUGENAPMYWASF-VIFPVBQESA-N -1 3 372.230 2.773 20 30 FFEDHM C[C@@H](C#N)CN(C)c1c(-c2nn[n-]n2)cnc2c(Br)cccc21 ZINC001588931444 1080269940 /nfs/dbraw/zinc/26/99/40/1080269940.db2.gz ZIUGENAPMYWASF-VIFPVBQESA-N -1 3 372.230 2.773 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C#N)CCCCC1 ZINC001589340773 1080489613 /nfs/dbraw/zinc/48/96/13/1080489613.db2.gz UGAQLOICSANQPB-UHFFFAOYSA-N -1 3 368.441 2.614 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C#N)CCCCC1 ZINC001589340773 1080489621 /nfs/dbraw/zinc/48/96/21/1080489621.db2.gz UGAQLOICSANQPB-UHFFFAOYSA-N -1 3 368.441 2.614 20 30 FFEDHM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589341655 1080489739 /nfs/dbraw/zinc/48/97/39/1080489739.db2.gz KLGQNPOWEXZWNI-JEBQAFNWSA-N -1 3 373.428 2.503 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589930236 1080871476 /nfs/dbraw/zinc/87/14/76/1080871476.db2.gz AWIWBMYLDOWZSA-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589930236 1080871492 /nfs/dbraw/zinc/87/14/92/1080871492.db2.gz AWIWBMYLDOWZSA-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590008536 1080936223 /nfs/dbraw/zinc/93/62/23/1080936223.db2.gz JOAJECPCITVNCB-CYBMUJFWSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590008536 1080936229 /nfs/dbraw/zinc/93/62/29/1080936229.db2.gz JOAJECPCITVNCB-CYBMUJFWSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(C#N)c(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590011022 1080939105 /nfs/dbraw/zinc/93/91/05/1080939105.db2.gz XUKNUJIYAYXKGN-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(C#N)c(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590011022 1080939111 /nfs/dbraw/zinc/93/91/11/1080939111.db2.gz XUKNUJIYAYXKGN-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(CC#N)cc2)[C@H](C(=O)[O-])C1 ZINC001590035244 1080959608 /nfs/dbraw/zinc/95/96/08/1080959608.db2.gz SLNQRNJCBKKQRG-KRWDZBQOSA-N -1 3 373.453 2.649 20 30 FFEDHM CC1(C#N)CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001590056291 1080983865 /nfs/dbraw/zinc/98/38/65/1080983865.db2.gz FJNUBDJBUZFTEO-UHFFFAOYSA-N -1 3 359.393 2.596 20 30 FFEDHM C[C@@]1(CNc2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)CCCO1 ZINC001590135854 1081041218 /nfs/dbraw/zinc/04/12/18/1081041218.db2.gz XAJMKCBAEJJGDJ-IBGZPJMESA-N -1 3 367.457 2.773 20 30 FFEDHM C[C@@]1(CNc2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)CCCO1 ZINC001590135854 1081041228 /nfs/dbraw/zinc/04/12/28/1081041228.db2.gz XAJMKCBAEJJGDJ-IBGZPJMESA-N -1 3 367.457 2.773 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590238898 1081114240 /nfs/dbraw/zinc/11/42/40/1081114240.db2.gz JSDNYFXPCXJJKK-XIEZEKGWSA-N -1 3 350.426 2.559 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590238898 1081114243 /nfs/dbraw/zinc/11/42/43/1081114243.db2.gz JSDNYFXPCXJJKK-XIEZEKGWSA-N -1 3 350.426 2.559 20 30 FFEDHM C[C@H]1CCc2nc(NC(=O)c3csc(C#N)c3)c(-c3nnn[n-]3)cc2C1 ZINC001590279499 1081136856 /nfs/dbraw/zinc/13/68/56/1081136856.db2.gz DWOFUTSFCNJRAE-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@H]1CCc2nc(NC(=O)c3csc(C#N)c3)c(-c3nn[n-]n3)cc2C1 ZINC001590279499 1081136857 /nfs/dbraw/zinc/13/68/57/1081136857.db2.gz DWOFUTSFCNJRAE-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@H]1CCc2nc(NC(=O)c3ccc(C#N)s3)c(-c3nnn[n-]3)cc2C1 ZINC001590282056 1081138921 /nfs/dbraw/zinc/13/89/21/1081138921.db2.gz YTDHXYXTNYRQON-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@H]1CCc2nc(NC(=O)c3ccc(C#N)s3)c(-c3nn[n-]n3)cc2C1 ZINC001590282056 1081138926 /nfs/dbraw/zinc/13/89/26/1081138926.db2.gz YTDHXYXTNYRQON-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(OC(C)C)cc1 ZINC000105892850 250224094 /nfs/dbraw/zinc/22/40/94/250224094.db2.gz RKDBVPUYZGFWFG-UHFFFAOYSA-N -1 3 367.449 2.900 20 30 FFEDHM Cc1c(Cl)cnc(N2CCN(C(=O)c3ccccc3[O-])CC2)c1C#N ZINC000273303488 252276741 /nfs/dbraw/zinc/27/67/41/252276741.db2.gz HHDAQHNKGFZGGG-UHFFFAOYSA-N -1 3 356.813 2.583 20 30 FFEDHM CC[C@H](C)c1nnc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[nH]1 ZINC000277687416 256227088 /nfs/dbraw/zinc/22/70/88/256227088.db2.gz CPTRWDRWBDQKKK-GWCFXTLKSA-N -1 3 370.457 2.717 20 30 FFEDHM CC[C@H](C)c1nc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1 ZINC000277687416 256227089 /nfs/dbraw/zinc/22/70/89/256227089.db2.gz CPTRWDRWBDQKKK-GWCFXTLKSA-N -1 3 370.457 2.717 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c1 ZINC000288607010 257211010 /nfs/dbraw/zinc/21/10/10/257211010.db2.gz KIOBJERNFSOSAN-UHFFFAOYSA-N -1 3 351.815 2.557 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000064853508 506236683 /nfs/dbraw/zinc/23/66/83/506236683.db2.gz SMDKAJFWTNIOFR-UHFFFAOYSA-N -1 3 361.401 2.689 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1nc(-c2ccccc2F)cs1 ZINC000373309975 512267812 /nfs/dbraw/zinc/26/78/12/512267812.db2.gz SSRRTMRNFNEEDG-UHFFFAOYSA-N -1 3 374.422 2.694 20 30 FFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000053524420 506399163 /nfs/dbraw/zinc/39/91/63/506399163.db2.gz GSCLHXWMZNVQCI-CQSZACIVSA-N -1 3 362.393 2.503 20 30 FFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000053524420 506399167 /nfs/dbraw/zinc/39/91/67/506399167.db2.gz GSCLHXWMZNVQCI-CQSZACIVSA-N -1 3 362.393 2.503 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000053524420 506399171 /nfs/dbraw/zinc/39/91/71/506399171.db2.gz GSCLHXWMZNVQCI-CQSZACIVSA-N -1 3 362.393 2.503 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000047189473 507280239 /nfs/dbraw/zinc/28/02/39/507280239.db2.gz UQJKCVBDLBITKL-SCLBCKFNSA-N -1 3 359.470 2.508 20 30 FFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1cccs1 ZINC000114736112 508343445 /nfs/dbraw/zinc/34/34/45/508343445.db2.gz RQLPGCCCZOTTAN-ZDUSSCGKSA-N -1 3 364.448 2.511 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(OC)c1 ZINC000156638023 508454257 /nfs/dbraw/zinc/45/42/57/508454257.db2.gz HIMHFWFJZYGIKI-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000156936581 508499344 /nfs/dbraw/zinc/49/93/44/508499344.db2.gz ZQWKENCFBSITNY-UHFFFAOYSA-N -1 3 362.426 2.973 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1nc2c(s1)CCCC2 ZINC000157022088 508511528 /nfs/dbraw/zinc/51/15/28/508511528.db2.gz DIIYWXWLTYSTBT-UHFFFAOYSA-N -1 3 365.455 2.554 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC(C)C)nc1 ZINC000116650102 508542431 /nfs/dbraw/zinc/54/24/31/508542431.db2.gz ZZEUGSQWLIYCAW-UHFFFAOYSA-N -1 3 368.437 2.865 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000116860900 508568510 /nfs/dbraw/zinc/56/85/10/508568510.db2.gz QZJDIZQAVGJCBA-NSHDSACASA-N -1 3 354.453 2.514 20 30 FFEDHM CC[C@@H](CC#N)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000157509865 508575926 /nfs/dbraw/zinc/57/59/26/508575926.db2.gz OEHCWVCTCIBSTR-NSHDSACASA-N -1 3 370.450 2.716 20 30 FFEDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc2C[C@@H]1C ZINC000135376099 508596085 /nfs/dbraw/zinc/59/60/85/508596085.db2.gz ALOGOPCZZCVTPB-NSHDSACASA-N -1 3 373.409 2.796 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000118275379 508643235 /nfs/dbraw/zinc/64/32/35/508643235.db2.gz PATAXLZPYYRJKO-HNAYVOBHSA-N -1 3 373.497 2.754 20 30 FFEDHM N#CC(=C([O-])c1ccc(Br)cc1-n1cncn1)c1ccccn1 ZINC000136538846 508699809 /nfs/dbraw/zinc/69/98/09/508699809.db2.gz FOXGQWKROWEDCD-CYBMUJFWSA-N -1 3 368.194 2.915 20 30 FFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000119189290 508744325 /nfs/dbraw/zinc/74/43/25/508744325.db2.gz QJWYGLJAHKDZOI-UHFFFAOYSA-N -1 3 354.653 2.966 20 30 FFEDHM COC(=O)CCc1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000159162647 508802016 /nfs/dbraw/zinc/80/20/16/508802016.db2.gz KZZVBESYYODBSJ-UHFFFAOYSA-N -1 3 351.334 2.651 20 30 FFEDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000151160309 508969868 /nfs/dbraw/zinc/96/98/68/508969868.db2.gz MYRXGWCKWQQMBJ-UHFFFAOYSA-N -1 3 367.471 2.972 20 30 FFEDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nnc2ccccn21 ZINC000125852752 509037359 /nfs/dbraw/zinc/03/73/59/509037359.db2.gz VXHYTCCKIXZLFQ-CQSZACIVSA-N -1 3 373.413 2.560 20 30 FFEDHM N#CCCN(C(=O)CCC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000132662007 509058916 /nfs/dbraw/zinc/05/89/16/509058916.db2.gz OJUDZFMNJBHIBX-UHFFFAOYSA-N -1 3 369.396 2.875 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCn1cnc2ccccc21 ZINC000156200338 509143091 /nfs/dbraw/zinc/14/30/91/509143091.db2.gz XDSQGRSZDXZPQW-UHFFFAOYSA-N -1 3 374.853 2.930 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[C@H]1CCOC1 ZINC000192077622 509334836 /nfs/dbraw/zinc/33/48/36/509334836.db2.gz XRDRNUKALMFAEU-KRWDZBQOSA-N -1 3 365.433 2.618 20 30 FFEDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188989232 509357145 /nfs/dbraw/zinc/35/71/45/509357145.db2.gz HUTCBHJKDMVGEF-CQSZACIVSA-N -1 3 350.422 2.614 20 30 FFEDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000248550266 509358215 /nfs/dbraw/zinc/35/82/15/509358215.db2.gz KHWJQYJMQIHRIV-VJBOLBCHSA-N -1 3 374.915 2.570 20 30 FFEDHM N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000163635045 509403353 /nfs/dbraw/zinc/40/33/53/509403353.db2.gz KORJXGMTJJSOHU-UHFFFAOYSA-N -1 3 372.375 2.574 20 30 FFEDHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)n2C ZINC000185929412 509430973 /nfs/dbraw/zinc/43/09/73/509430973.db2.gz HDAMXQNOYQKACN-UHFFFAOYSA-N -1 3 374.853 2.885 20 30 FFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000173741659 509749615 /nfs/dbraw/zinc/74/96/15/509749615.db2.gz IUFMDYQGVINWDV-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nnc(C(C)(C)C)s1 ZINC000268282973 509851648 /nfs/dbraw/zinc/85/16/48/509851648.db2.gz OZGWMUGBXWJITH-UHFFFAOYSA-N -1 3 373.482 2.674 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)c(Cl)c1 ZINC000183571020 509867098 /nfs/dbraw/zinc/86/70/98/509867098.db2.gz MNZWMLMJSCQJJO-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000183636378 509897887 /nfs/dbraw/zinc/89/78/87/509897887.db2.gz WOIHDSLMHKMTTQ-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM CN(C(=O)CSc1n[n-]c(-c2ccccn2)n1)C1(C#N)CCCCC1 ZINC000265258985 509951510 /nfs/dbraw/zinc/95/15/10/509951510.db2.gz AQFUSRXCOMTXMA-UHFFFAOYSA-N -1 3 356.455 2.644 20 30 FFEDHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCCCC#N)n2)cc1 ZINC000268530949 509991505 /nfs/dbraw/zinc/99/15/05/509991505.db2.gz XMMWPYFACOOMEE-CYBMUJFWSA-N -1 3 362.455 2.973 20 30 FFEDHM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CCCCC#N ZINC000268666054 510061813 /nfs/dbraw/zinc/06/18/13/510061813.db2.gz YNPKFWOBFDXPLI-INIZCTEOSA-N -1 3 366.483 2.553 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1 ZINC000181065868 510265509 /nfs/dbraw/zinc/26/55/09/510265509.db2.gz QLFZYJDVCOEPDP-INIZCTEOSA-N -1 3 368.430 2.753 20 30 FFEDHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)n2C ZINC000184359785 510284531 /nfs/dbraw/zinc/28/45/31/510284531.db2.gz QUQLWUQYJGWUAY-UHFFFAOYSA-N -1 3 374.853 2.885 20 30 FFEDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000187836362 510462794 /nfs/dbraw/zinc/46/27/94/510462794.db2.gz PMAASHSWRHQNKC-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263319015 510660705 /nfs/dbraw/zinc/66/07/05/510660705.db2.gz JFOUJVSKMBIYBK-ILXRZTDVSA-N -1 3 350.484 2.694 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(C)o1 ZINC000175560105 510679571 /nfs/dbraw/zinc/67/95/71/510679571.db2.gz SWNZDBWCYOWCSE-UHFFFAOYSA-N -1 3 361.423 2.550 20 30 FFEDHM N#Cc1c[nH]c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000175767898 510781002 /nfs/dbraw/zinc/78/10/02/510781002.db2.gz OIVRKVHVCMCICU-UHFFFAOYSA-N -1 3 372.812 2.736 20 30 FFEDHM CC[C@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182275797 510840378 /nfs/dbraw/zinc/84/03/78/510840378.db2.gz VAYFKXRXLVYIOK-SJLPKXTDSA-N -1 3 351.406 2.672 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000360239238 510888420 /nfs/dbraw/zinc/88/84/20/510888420.db2.gz UYEAAESKAGOGPV-KRWDZBQOSA-N -1 3 364.449 2.921 20 30 FFEDHM C=CC[C@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1(C)C ZINC000278194488 510985296 /nfs/dbraw/zinc/98/52/96/510985296.db2.gz RSZKYZGILZCQSZ-MRXNPFEDSA-N -1 3 366.483 2.971 20 30 FFEDHM C=CC[C@@H]1N(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCCC1(C)C ZINC000278231256 510985388 /nfs/dbraw/zinc/98/53/88/510985388.db2.gz VICWBFPWYUYDJF-HRAATJIYSA-N -1 3 369.465 2.948 20 30 FFEDHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000282590035 511036699 /nfs/dbraw/zinc/03/66/99/511036699.db2.gz PYWOCNAVOAFLOA-UHFFFAOYSA-N -1 3 357.819 2.856 20 30 FFEDHM C#CCC(CC#C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000287829713 511059282 /nfs/dbraw/zinc/05/92/82/511059282.db2.gz YAXNMIQQWMQJRD-UHFFFAOYSA-N -1 3 372.852 2.886 20 30 FFEDHM C=CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000290136783 511128443 /nfs/dbraw/zinc/12/84/43/511128443.db2.gz HDOGALBUSKZECP-HNNXBMFYSA-N -1 3 369.469 2.646 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000291887239 511378368 /nfs/dbraw/zinc/37/83/68/511378368.db2.gz OAROGTQWUJAOAR-NSHDSACASA-N -1 3 372.365 2.648 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000295505385 511426906 /nfs/dbraw/zinc/42/69/06/511426906.db2.gz BYUBSYCIBZVNMY-ONGXEEELSA-N -1 3 361.236 2.949 20 30 FFEDHM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(OCC#N)cc1 ZINC000292240113 511517672 /nfs/dbraw/zinc/51/76/72/511517672.db2.gz WSAJYRBWSHOJDW-IUODEOHRSA-N -1 3 355.360 2.620 20 30 FFEDHM C=CCSCCNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000299358417 511605334 /nfs/dbraw/zinc/60/53/34/511605334.db2.gz ZDIDRWCOQSXZQG-UHFFFAOYSA-N -1 3 363.483 2.672 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000274269707 511775162 /nfs/dbraw/zinc/77/51/62/511775162.db2.gz MIHLDVWFNGARGB-DLBZAZTESA-N -1 3 359.470 2.917 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328638937 511903279 /nfs/dbraw/zinc/90/32/79/511903279.db2.gz BUNPZZKJUJFFQT-QWHCGFSZSA-N -1 3 372.512 2.721 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H]1OCCc2sccc21 ZINC000366344712 511968619 /nfs/dbraw/zinc/96/86/19/511968619.db2.gz XJQRBTNZMGMYLN-OTYXRUKQSA-N -1 3 354.478 2.662 20 30 FFEDHM O=C([N-]c1nncn1-c1ccccc1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000329129218 511988794 /nfs/dbraw/zinc/98/87/94/511988794.db2.gz ZZBSQOSTUWNNCP-HNNXBMFYSA-N -1 3 371.466 2.947 20 30 FFEDHM C[C@]1(C[C@H]2CCCN2C(=O)NCC2CCC(C#N)CC2)NC(=O)[N-]C1=O ZINC000329473242 512053072 /nfs/dbraw/zinc/05/30/72/512053072.db2.gz AMYUTLDIFQSXKI-YOVVGYSCSA-N -1 3 361.446 2.728 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000371678750 512524978 /nfs/dbraw/zinc/52/49/78/512524978.db2.gz DPWOQMSACWSEFN-UHFFFAOYSA-N -1 3 362.393 2.632 20 30 FFEDHM C#CCCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000376325809 512768687 /nfs/dbraw/zinc/76/86/87/512768687.db2.gz ZNKFOYXKKBERBS-LLVKDONJSA-N -1 3 353.831 2.784 20 30 FFEDHM COC(=O)c1[n-]c(=N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)sc1C ZINC000434084952 513232861 /nfs/dbraw/zinc/23/28/61/513232861.db2.gz MDNMNOQMLDBBTC-CYBMUJFWSA-N -1 3 374.441 2.752 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000424859767 513305891 /nfs/dbraw/zinc/30/58/91/513305891.db2.gz UYFOGFSKBHZLIW-UHFFFAOYSA-N -1 3 356.426 2.867 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000424859767 513305897 /nfs/dbraw/zinc/30/58/97/513305897.db2.gz UYFOGFSKBHZLIW-UHFFFAOYSA-N -1 3 356.426 2.867 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1cccnc1 ZINC000412881900 513321150 /nfs/dbraw/zinc/32/11/50/513321150.db2.gz CEJPPKNMVDGERW-UHFFFAOYSA-N -1 3 352.438 2.697 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424965780 513345683 /nfs/dbraw/zinc/34/56/83/513345683.db2.gz GVBAEGJARAMRKK-XLIONFOSSA-N -1 3 353.397 2.962 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000425180918 513440509 /nfs/dbraw/zinc/44/05/09/513440509.db2.gz UOSXKFQPVSJCPA-ONGXEEELSA-N -1 3 367.801 2.811 20 30 FFEDHM COc1ccc(OC)c(CCC[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435422433 513577847 /nfs/dbraw/zinc/57/78/47/513577847.db2.gz MCVNSWTYWUJFOD-UHFFFAOYSA-N -1 3 366.464 2.548 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435428309 513581769 /nfs/dbraw/zinc/58/17/69/513581769.db2.gz RNMJQOLFKPXBDP-MEBBXXQBSA-N -1 3 354.428 2.813 20 30 FFEDHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435430274 513583437 /nfs/dbraw/zinc/58/34/37/513583437.db2.gz ZXJJRMHNOGNCKZ-UHFFFAOYSA-N -1 3 360.464 2.647 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1c(C)noc1C ZINC000451333530 513682312 /nfs/dbraw/zinc/68/23/12/513682312.db2.gz BEZQIOQWRAIIJZ-OAHLLOKOSA-N -1 3 351.403 2.873 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCCO1 ZINC000416444254 513774482 /nfs/dbraw/zinc/77/44/82/513774482.db2.gz XQOGFOJKAQZLLP-OLZOCXBDSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000451478109 513775379 /nfs/dbraw/zinc/77/53/79/513775379.db2.gz YGMRIORCSBAAKL-MRVPVSSYSA-N -1 3 353.391 2.836 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416491951 513800772 /nfs/dbraw/zinc/80/07/72/513800772.db2.gz AXVDLCBDGJIOBM-GWCFXTLKSA-N -1 3 368.256 2.681 20 30 FFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(SCC#N)c1 ZINC000431166133 513841760 /nfs/dbraw/zinc/84/17/60/513841760.db2.gz HNYBXEBUGLNRSE-UHFFFAOYSA-N -1 3 361.448 2.926 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000443025394 513845367 /nfs/dbraw/zinc/84/53/67/513845367.db2.gz OLRIJTIECFRERA-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOc1ccc(F)c(F)c1 ZINC000443070657 513863339 /nfs/dbraw/zinc/86/33/39/513863339.db2.gz LXLARDLKYKRISS-UHFFFAOYSA-N -1 3 372.780 2.847 20 30 FFEDHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000443092224 513869419 /nfs/dbraw/zinc/86/94/19/513869419.db2.gz JGRMLEJBZFLIKL-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM Cc1cc(C)c(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000443105867 513871897 /nfs/dbraw/zinc/87/18/97/513871897.db2.gz QGSHZGPGRNQNKT-UHFFFAOYSA-N -1 3 373.434 2.913 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2nc(C#N)cs2)ccc1F ZINC000419712657 513893375 /nfs/dbraw/zinc/89/33/75/513893375.db2.gz LRJFJMUSCAIIJE-UHFFFAOYSA-N -1 3 368.459 2.843 20 30 FFEDHM CCc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c([O-])c1 ZINC000436613034 513918890 /nfs/dbraw/zinc/91/88/90/513918890.db2.gz ZWDWDASCEYMQMJ-UHFFFAOYSA-N -1 3 356.451 2.554 20 30 FFEDHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OC ZINC000451803950 513990044 /nfs/dbraw/zinc/99/00/44/513990044.db2.gz SNLSRYWUPPPWPU-ZDUSSCGKSA-N -1 3 350.362 2.670 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000451803702 513991080 /nfs/dbraw/zinc/99/10/80/513991080.db2.gz RYPJKSHOVNTIQB-UHFFFAOYSA-N -1 3 358.529 2.697 20 30 FFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000451808165 513993974 /nfs/dbraw/zinc/99/39/74/513993974.db2.gz DSKXEMSJKLJNSO-UHFFFAOYSA-N -1 3 372.556 2.943 20 30 FFEDHM CC(C)[C@@H](CO)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000451852396 514021468 /nfs/dbraw/zinc/02/14/68/514021468.db2.gz KDDPBZNEIWQDAT-CJNGLKHVSA-N -1 3 358.891 2.779 20 30 FFEDHM C=CCOc1ccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000426727698 514024226 /nfs/dbraw/zinc/02/42/26/514024226.db2.gz PROXZCCXAKMCAB-CQSZACIVSA-N -1 3 369.343 2.710 20 30 FFEDHM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000437002188 514071702 /nfs/dbraw/zinc/07/17/02/514071702.db2.gz POBBZNYQTBMMIL-HNNXBMFYSA-N -1 3 371.824 2.774 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CCCCC1 ZINC000451936520 514082707 /nfs/dbraw/zinc/08/27/07/514082707.db2.gz GOSZYPVYJDMAPN-UHFFFAOYSA-N -1 3 356.513 2.942 20 30 FFEDHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000443978139 514089658 /nfs/dbraw/zinc/08/96/58/514089658.db2.gz JLEAUSNPBDLXRD-UHFFFAOYSA-N -1 3 355.891 2.612 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OCC ZINC000451994702 514119039 /nfs/dbraw/zinc/11/90/39/514119039.db2.gz OIHRGZFGMHLBBM-MRXNPFEDSA-N -1 3 362.451 2.552 20 30 FFEDHM CCOC(=O)c1c([N-]C(=O)C(=O)N(C)C[C@@H](C)C#N)scc1C(C)C ZINC000437415166 514157446 /nfs/dbraw/zinc/15/74/46/514157446.db2.gz XOFARCLOZFJKIA-NSHDSACASA-N -1 3 365.455 2.605 20 30 FFEDHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1F ZINC000427296390 514174997 /nfs/dbraw/zinc/17/49/97/514174997.db2.gz TZMPTEMOECHWSQ-UHFFFAOYSA-N -1 3 370.308 2.563 20 30 FFEDHM N#CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000420713455 514256516 /nfs/dbraw/zinc/25/65/16/514256516.db2.gz XQJZQSDOHQTEPC-UHFFFAOYSA-N -1 3 350.774 2.914 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000427715730 514291996 /nfs/dbraw/zinc/29/19/96/514291996.db2.gz RNHALNHNTOUDCO-LBPRGKRZSA-N -1 3 362.451 2.918 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000428237703 514429572 /nfs/dbraw/zinc/42/95/72/514429572.db2.gz BSCLWMPWXPQYRL-DGCLKSJQSA-N -1 3 367.352 2.806 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1c(Cl)cccc1Cl ZINC000428250739 514433370 /nfs/dbraw/zinc/43/33/70/514433370.db2.gz RMFYRRNPXWRZNI-UHFFFAOYSA-N -1 3 356.234 2.781 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Br)s1 ZINC000428370144 514458336 /nfs/dbraw/zinc/45/83/36/514458336.db2.gz NZCBIXUIROSBDK-QMMMGPOBSA-N -1 3 372.269 2.817 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCOc2c(Cl)cccc21 ZINC000428409098 514468067 /nfs/dbraw/zinc/46/80/67/514468067.db2.gz UWNPXQPPUVTDKA-CYBMUJFWSA-N -1 3 363.826 2.799 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000488902227 514626479 /nfs/dbraw/zinc/62/64/79/514626479.db2.gz OOKALLIGDCFLAF-UHFFFAOYSA-N -1 3 353.357 2.862 20 30 FFEDHM Cc1[nH]nc(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)c1C#N ZINC000508777667 514891298 /nfs/dbraw/zinc/89/12/98/514891298.db2.gz JJLZWJSAIDWDKD-UHFFFAOYSA-N -1 3 371.198 2.995 20 30 FFEDHM Cc1[nH]nc(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)c1C#N ZINC000508777667 514891306 /nfs/dbraw/zinc/89/13/06/514891306.db2.gz JJLZWJSAIDWDKD-UHFFFAOYSA-N -1 3 371.198 2.995 20 30 FFEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCc1nnc(C(F)(F)F)[n-]1 ZINC000480285291 514908702 /nfs/dbraw/zinc/90/87/02/514908702.db2.gz PJSVIBHYTVCKFZ-UHFFFAOYSA-N -1 3 350.279 2.725 20 30 FFEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCc1n[n-]c(C(F)(F)F)n1 ZINC000480285291 514908706 /nfs/dbraw/zinc/90/87/06/514908706.db2.gz PJSVIBHYTVCKFZ-UHFFFAOYSA-N -1 3 350.279 2.725 20 30 FFEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCc1nc(C(F)(F)F)n[n-]1 ZINC000480285291 514908717 /nfs/dbraw/zinc/90/87/17/514908717.db2.gz PJSVIBHYTVCKFZ-UHFFFAOYSA-N -1 3 350.279 2.725 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462290874 514976852 /nfs/dbraw/zinc/97/68/52/514976852.db2.gz MCJMJWXQCUAHNU-CYBMUJFWSA-N -1 3 368.336 2.778 20 30 FFEDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489898947 515022152 /nfs/dbraw/zinc/02/21/52/515022152.db2.gz KLXCYIYHGBRMBH-UHFFFAOYSA-N -1 3 351.428 2.601 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c(Cl)c1 ZINC000503450134 515036592 /nfs/dbraw/zinc/03/65/92/515036592.db2.gz DKMTWZPJAJVJRZ-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2c(F)cccc2F)c(Cl)c1 ZINC000503481133 515049525 /nfs/dbraw/zinc/04/95/25/515049525.db2.gz ZSNPKSVLQKWIDC-ZDUSSCGKSA-N -1 3 372.780 2.502 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c(F)c1 ZINC000480723312 515058745 /nfs/dbraw/zinc/05/87/45/515058745.db2.gz DPFSJDVMMYLXDW-UHFFFAOYSA-N -1 3 351.428 2.651 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489990760 515060296 /nfs/dbraw/zinc/06/02/96/515060296.db2.gz GWJGBXCPGLZIFT-LLVKDONJSA-N -1 3 373.381 2.960 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)CCCC1 ZINC000480948944 515147324 /nfs/dbraw/zinc/14/73/24/515147324.db2.gz CTGWUWKQMFHSHX-UHFFFAOYSA-N -1 3 362.373 2.930 20 30 FFEDHM C[C@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000467955513 515176273 /nfs/dbraw/zinc/17/62/73/515176273.db2.gz ZNRAFRIMAUBFJJ-SNVBAGLBSA-N -1 3 365.361 2.864 20 30 FFEDHM C=C(CC)CNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000454844237 515784194 /nfs/dbraw/zinc/78/41/94/515784194.db2.gz SQNRCNMAFBNOBZ-UHFFFAOYSA-N -1 3 365.377 2.615 20 30 FFEDHM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1OCC(N)=O ZINC000474437231 516045568 /nfs/dbraw/zinc/04/55/68/516045568.db2.gz YLYUAFXASWFSFJ-LBPRGKRZSA-N -1 3 373.434 2.629 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000512415704 516270316 /nfs/dbraw/zinc/27/03/16/516270316.db2.gz PAVQXLFKQYYDJY-UHFFFAOYSA-N -1 3 354.266 2.786 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@@H](C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000460938289 516287129 /nfs/dbraw/zinc/28/71/29/516287129.db2.gz SNSHRYMAODEFLK-RDJZCZTQSA-N -1 3 351.468 2.534 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(N4CC[C@H](C)C4)c3)nc1-2 ZINC000547488441 516369544 /nfs/dbraw/zinc/36/95/44/516369544.db2.gz HNLDSSHSFRIQAV-WFASDCNBSA-N -1 3 360.421 2.998 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000531381227 516440436 /nfs/dbraw/zinc/44/04/36/516440436.db2.gz YIYRKKZPXPMACC-CYBMUJFWSA-N -1 3 366.389 2.972 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)c(Cl)c1 ZINC000528554399 516526114 /nfs/dbraw/zinc/52/61/14/516526114.db2.gz UJKKQNHIAQSEDG-CQSZACIVSA-N -1 3 353.875 2.507 20 30 FFEDHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000554963723 516723131 /nfs/dbraw/zinc/72/31/31/516723131.db2.gz NCYFQIBYCKCICL-AWEZNQCLSA-N -1 3 362.838 2.802 20 30 FFEDHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCO1 ZINC000540894782 516759509 /nfs/dbraw/zinc/75/95/09/516759509.db2.gz LCKZMHGKBZUBEV-GDBMZVCRSA-N -1 3 354.447 2.959 20 30 FFEDHM N#Cc1cc(Cl)ccc1-n1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000541124304 516890779 /nfs/dbraw/zinc/89/07/79/516890779.db2.gz UPMOUQPUESRXFN-UHFFFAOYSA-N -1 3 357.713 2.573 20 30 FFEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000537904408 517399437 /nfs/dbraw/zinc/39/94/37/517399437.db2.gz CBXJBSLSPXQPMH-NSHDSACASA-N -1 3 357.366 2.691 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000526960317 517410349 /nfs/dbraw/zinc/41/03/49/517410349.db2.gz WKCYWAOGBWFKQT-FUHWJXTLSA-N -1 3 354.410 2.597 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO[C@@H]1C1CC1 ZINC000545927996 517440351 /nfs/dbraw/zinc/44/03/51/517440351.db2.gz WZFJPEZXWNUJAI-CVEARBPZSA-N -1 3 354.859 2.695 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000516178454 517602539 /nfs/dbraw/zinc/60/25/39/517602539.db2.gz YHLLRVUJHFSGIA-ZJUUUORDSA-N -1 3 361.236 2.880 20 30 FFEDHM Cc1c(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)nnn1-c1ccn(C)n1 ZINC000563161875 517704798 /nfs/dbraw/zinc/70/47/98/517704798.db2.gz UEBRGKUUEDPKQR-UHFFFAOYSA-N -1 3 369.454 2.792 20 30 FFEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1C ZINC000546635116 517768183 /nfs/dbraw/zinc/76/81/83/517768183.db2.gz CPHPTJZTUMZSPE-UHFFFAOYSA-N -1 3 365.798 2.503 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1c(F)cccc1F ZINC000546770335 517848294 /nfs/dbraw/zinc/84/82/94/517848294.db2.gz ZUPLKKUEFUZHRE-HNNXBMFYSA-N -1 3 371.453 2.571 20 30 FFEDHM N#Cc1ncc([N-]S(=O)(=O)CCCOCc2ccccc2)cc1Cl ZINC000517173239 518049535 /nfs/dbraw/zinc/04/95/35/518049535.db2.gz SPZOFCFURFCDQX-UHFFFAOYSA-N -1 3 365.842 2.955 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543396965 518068552 /nfs/dbraw/zinc/06/85/52/518068552.db2.gz QTTZXCJVGYCYTD-VIFPVBQESA-N -1 3 368.680 2.565 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1F ZINC000561002265 518117275 /nfs/dbraw/zinc/11/72/75/518117275.db2.gz NPFMXTATVHUHLQ-UHFFFAOYSA-N -1 3 367.789 2.511 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CC[C@H](C)O3)no2)ccc1F ZINC000528248411 518155395 /nfs/dbraw/zinc/15/53/95/518155395.db2.gz SPEHJJUEXKYVKA-GWCFXTLKSA-N -1 3 367.402 2.580 20 30 FFEDHM C=CCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000584301118 518273930 /nfs/dbraw/zinc/27/39/30/518273930.db2.gz KKSBBAZGVYCBCG-UHFFFAOYSA-N -1 3 373.478 2.781 20 30 FFEDHM CC(C)(c1ccc(F)cc1)C1([N-]S(=O)(=O)c2cccnc2C#N)CC1 ZINC000567214861 518408742 /nfs/dbraw/zinc/40/87/42/518408742.db2.gz BFQZZSDHQNIRCH-UHFFFAOYSA-N -1 3 359.426 2.881 20 30 FFEDHM COc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(Br)c1 ZINC000564548784 518498516 /nfs/dbraw/zinc/49/85/16/518498516.db2.gz ANFNRBCOQUIPHI-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000576474612 518611569 /nfs/dbraw/zinc/61/15/69/518611569.db2.gz HUMKTPAJDOLOSZ-OCCSQVGLSA-N -1 3 355.232 2.688 20 30 FFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2nccn21 ZINC000570594581 518685121 /nfs/dbraw/zinc/68/51/21/518685121.db2.gz OSCFKZHDSJVXES-CABZTGNLSA-N -1 3 370.356 2.758 20 30 FFEDHM N#Cc1ccncc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000588068212 518714393 /nfs/dbraw/zinc/71/43/93/518714393.db2.gz NGFDVZGXEWKCDN-UHFFFAOYSA-N -1 3 371.249 2.650 20 30 FFEDHM N#Cc1ncc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)cc1Cl ZINC000565055388 518765114 /nfs/dbraw/zinc/76/51/14/518765114.db2.gz XAOUAPHCLTXCDG-UHFFFAOYSA-N -1 3 363.826 2.526 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)cc1 ZINC000588895241 518860541 /nfs/dbraw/zinc/86/05/41/518860541.db2.gz DPRDVRNXXWEPOY-UHFFFAOYSA-N -1 3 358.316 2.734 20 30 FFEDHM CC(C)(CC#N)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000571403959 519080594 /nfs/dbraw/zinc/08/05/94/519080594.db2.gz VMPDPPJKPZTYFB-UHFFFAOYSA-N -1 3 362.227 2.960 20 30 FFEDHM Cc1ccnc([C@@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000574290989 519083789 /nfs/dbraw/zinc/08/37/89/519083789.db2.gz ARXRQGPZGMJOBN-MRXNPFEDSA-N -1 3 364.449 2.928 20 30 FFEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000565813311 519145467 /nfs/dbraw/zinc/14/54/67/519145467.db2.gz LRRDEMKPOANDBS-UHFFFAOYSA-N -1 3 359.451 2.738 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1cccnc1 ZINC000577848020 519288344 /nfs/dbraw/zinc/28/83/44/519288344.db2.gz SSDUXYBMMZWQLH-JTQLQIEISA-N -1 3 366.240 2.755 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000590666696 519307909 /nfs/dbraw/zinc/30/79/09/519307909.db2.gz OESDQUZVVRRYIN-SKDRFNHKSA-N -1 3 359.163 2.526 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000578084009 519409602 /nfs/dbraw/zinc/40/96/02/519409602.db2.gz MLAQXSRDQOMJPM-UHFFFAOYSA-N -1 3 352.225 2.841 20 30 FFEDHM N#Cc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000575079194 519488591 /nfs/dbraw/zinc/48/85/91/519488591.db2.gz RDCAOLPHTRNUDX-UHFFFAOYSA-N -1 3 369.808 2.515 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000583894948 519488659 /nfs/dbraw/zinc/48/86/59/519488659.db2.gz PDQBIIABEJYKDU-SECBINFHSA-N -1 3 351.653 2.929 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000575213266 519557045 /nfs/dbraw/zinc/55/70/45/519557045.db2.gz GEIFWYBAQMIBHS-MNOVXSKESA-N -1 3 352.239 2.624 20 30 FFEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCc4cc(C#N)ccc43)cn21 ZINC000591328309 519592350 /nfs/dbraw/zinc/59/23/50/519592350.db2.gz OPEIVIDGQOKZSJ-BLLLJJGKSA-N -1 3 356.451 2.618 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)c(Cl)c1 ZINC000594491846 520000471 /nfs/dbraw/zinc/00/04/71/520000471.db2.gz QXAFNZCLIPUDJT-ZDUSSCGKSA-N -1 3 354.859 2.982 20 30 FFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594725285 520116333 /nfs/dbraw/zinc/11/63/33/520116333.db2.gz AMMFNPUDABKTIP-ZDUSSCGKSA-N -1 3 361.236 2.700 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000594814578 520170605 /nfs/dbraw/zinc/17/06/05/520170605.db2.gz BZLCNKOFSBWVAT-UHFFFAOYSA-N -1 3 363.888 2.714 20 30 FFEDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)O1 ZINC000594853068 520189402 /nfs/dbraw/zinc/18/94/02/520189402.db2.gz WLBHOWWZYILGJA-ZYHUDNBSSA-N -1 3 362.373 2.813 20 30 FFEDHM Cc1cccc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CCOCC2)c1F ZINC000594860667 520193594 /nfs/dbraw/zinc/19/35/94/520193594.db2.gz ANSWOPXIAAKESP-UHFFFAOYSA-N -1 3 374.437 2.990 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)cn2)CCCCC1 ZINC000594869441 520199242 /nfs/dbraw/zinc/19/92/42/520199242.db2.gz KNCVVAQZECCYJP-UHFFFAOYSA-N -1 3 358.261 2.596 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000617035831 520294526 /nfs/dbraw/zinc/29/45/26/520294526.db2.gz SYTVQDPKZOUZPL-SQWLQELKSA-N -1 3 368.474 2.744 20 30 FFEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000600668393 520384646 /nfs/dbraw/zinc/38/46/46/520384646.db2.gz MCTQKOSWFQNBIP-CYBMUJFWSA-N -1 3 361.236 2.867 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCOC2 ZINC000598227184 520506718 /nfs/dbraw/zinc/50/67/18/520506718.db2.gz NHQVEXHHLRPZKZ-UHFFFAOYSA-N -1 3 351.406 2.920 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)Cc3ccc([O-])c(F)c3)CCOCC2)c1 ZINC000598248372 520518555 /nfs/dbraw/zinc/51/85/55/520518555.db2.gz BCCZELPOPNRCKP-UHFFFAOYSA-N -1 3 354.381 2.768 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(C[C@H]1C)CCOCC2 ZINC000592721857 520541579 /nfs/dbraw/zinc/54/15/79/520541579.db2.gz SFJUJDKCESXNKY-CYBMUJFWSA-N -1 3 357.454 2.626 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c1 ZINC000617624130 520612262 /nfs/dbraw/zinc/61/22/62/520612262.db2.gz QVJCNJNVQSYCJS-GOSISDBHSA-N -1 3 367.474 2.611 20 30 FFEDHM N#CC(=C([O-])c1ccc(OCC(N)=O)cc1)c1nc2cc(F)ccc2s1 ZINC000592975574 520666904 /nfs/dbraw/zinc/66/69/04/520666904.db2.gz JUDBXBVVVUZNMX-ZDUSSCGKSA-N -1 3 369.377 2.790 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)C1 ZINC000601447090 520790573 /nfs/dbraw/zinc/79/05/73/520790573.db2.gz GZMSOZYSUPNNDD-GXTWGEPZSA-N -1 3 361.398 2.984 20 30 FFEDHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C(C)(C)c1cccc(C#N)c1 ZINC000601466086 520800783 /nfs/dbraw/zinc/80/07/83/520800783.db2.gz YXWATACTKGLTGI-UHFFFAOYSA-N -1 3 372.372 2.524 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCc2cc(O)ccc2C1 ZINC000618180251 520921380 /nfs/dbraw/zinc/92/13/80/520921380.db2.gz SMNCATXAACZZOZ-CYBMUJFWSA-N -1 3 362.838 2.753 20 30 FFEDHM C=CCC1(NC(=O)Cc2ccc(Br)cc2[O-])CCOCC1 ZINC000618249437 520963204 /nfs/dbraw/zinc/96/32/04/520963204.db2.gz SZXVBEPNJFCEBU-UHFFFAOYSA-N -1 3 354.244 2.939 20 30 FFEDHM Cc1cc(N2CCC[C@H]2c2nc(=N)n(C)[n-]2)n2c3ccccc3nc2c1C#N ZINC000596252400 520994026 /nfs/dbraw/zinc/99/40/26/520994026.db2.gz KKLFIWNGLUXNFW-INIZCTEOSA-N -1 3 372.436 2.550 20 30 FFEDHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000611144601 521007970 /nfs/dbraw/zinc/00/79/70/521007970.db2.gz JRXNBIFKYQOZPQ-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM CC(C)C(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593526420 521051190 /nfs/dbraw/zinc/05/11/90/521051190.db2.gz HNUSWTPIEXESFR-UHFFFAOYSA-N -1 3 363.464 2.693 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000593531964 521054212 /nfs/dbraw/zinc/05/42/12/521054212.db2.gz WYFQUKBCQGMPFM-UHFFFAOYSA-N -1 3 354.428 2.896 20 30 FFEDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593562723 521078948 /nfs/dbraw/zinc/07/89/48/521078948.db2.gz YBNQDYCIMNPVRZ-OAHLLOKOSA-N -1 3 364.492 2.870 20 30 FFEDHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593579488 521090015 /nfs/dbraw/zinc/09/00/15/521090015.db2.gz ZUBBJFLTLPOVCT-LLVKDONJSA-N -1 3 352.485 2.919 20 30 FFEDHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593591096 521095502 /nfs/dbraw/zinc/09/55/02/521095502.db2.gz RYFJLTLIHRABHP-UHFFFAOYSA-N -1 3 350.465 2.893 20 30 FFEDHM COc1cc([C@@H](C#N)NC(=O)c2c(C)cccc2[O-])cc(OC)c1OC ZINC000599235394 521101645 /nfs/dbraw/zinc/10/16/45/521101645.db2.gz YTGJAFOIJZWGGH-CYBMUJFWSA-N -1 3 356.378 2.721 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000593631748 521119948 /nfs/dbraw/zinc/11/99/48/521119948.db2.gz NINYYFTZFILRFN-MRXNPFEDSA-N -1 3 354.859 2.695 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000593630947 521120327 /nfs/dbraw/zinc/12/03/27/521120327.db2.gz BVVBFYRAOABGTE-INIZCTEOSA-N -1 3 354.859 2.695 20 30 FFEDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)[n-]2)o1 ZINC000611522357 521199440 /nfs/dbraw/zinc/19/94/40/521199440.db2.gz YFYWIQIMBXRSAT-HNNXBMFYSA-N -1 3 362.393 2.852 20 30 FFEDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)n2)o1 ZINC000611522357 521199450 /nfs/dbraw/zinc/19/94/50/521199450.db2.gz YFYWIQIMBXRSAT-HNNXBMFYSA-N -1 3 362.393 2.852 20 30 FFEDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)n[n-]2)o1 ZINC000611522357 521199462 /nfs/dbraw/zinc/19/94/62/521199462.db2.gz YFYWIQIMBXRSAT-HNNXBMFYSA-N -1 3 362.393 2.852 20 30 FFEDHM Cc1cc2c(cc1C#N)[nH]nc2NC([O-])=C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593849878 521248191 /nfs/dbraw/zinc/24/81/91/521248191.db2.gz RBXVYESOBFQQCL-AAEUAGOBSA-N -1 3 366.343 2.851 20 30 FFEDHM CC(C)(C)c1csc([N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)c1C#N ZINC000602351634 521296561 /nfs/dbraw/zinc/29/65/61/521296561.db2.gz WZKHSQUENVKLPN-NSHDSACASA-N -1 3 359.455 2.798 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625281314 523317910 /nfs/dbraw/zinc/31/79/10/523317910.db2.gz QZVLFOOTQYXNBK-UHFFFAOYSA-N -1 3 366.252 2.768 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@@H](C)C#N)cc1 ZINC000737032338 598896100 /nfs/dbraw/zinc/89/61/00/598896100.db2.gz LCJUMFBDKNHWSK-NSHDSACASA-N -1 3 364.365 2.766 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@@H](C)C#N)cc1 ZINC000737032338 598896101 /nfs/dbraw/zinc/89/61/01/598896101.db2.gz LCJUMFBDKNHWSK-NSHDSACASA-N -1 3 364.365 2.766 20 30 FFEDHM C#CCN(CC)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735374493 598996511 /nfs/dbraw/zinc/99/65/11/598996511.db2.gz JLNXBXUNHQCBBS-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM C#CCN(CC)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735374493 598996513 /nfs/dbraw/zinc/99/65/13/598996513.db2.gz JLNXBXUNHQCBBS-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736816957 599041127 /nfs/dbraw/zinc/04/11/27/599041127.db2.gz RBXNEZIOEFGURF-UHFFFAOYSA-N -1 3 359.315 2.789 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736816957 599041130 /nfs/dbraw/zinc/04/11/30/599041130.db2.gz RBXNEZIOEFGURF-UHFFFAOYSA-N -1 3 359.315 2.789 20 30 FFEDHM C=CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409435 599147110 /nfs/dbraw/zinc/14/71/10/599147110.db2.gz FFMBYTXAIDUTTE-QGZVFWFLSA-N -1 3 363.425 2.721 20 30 FFEDHM C=CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409435 599147112 /nfs/dbraw/zinc/14/71/12/599147112.db2.gz FFMBYTXAIDUTTE-QGZVFWFLSA-N -1 3 363.425 2.721 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1-c1nnn[n-]1 ZINC000737719598 599192916 /nfs/dbraw/zinc/19/29/16/599192916.db2.gz TVYLORSCIGGKMQ-UHFFFAOYSA-N -1 3 362.246 2.547 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1-c1nn[n-]n1 ZINC000737719598 599192919 /nfs/dbraw/zinc/19/29/19/599192919.db2.gz TVYLORSCIGGKMQ-UHFFFAOYSA-N -1 3 362.246 2.547 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC000737704529 599194689 /nfs/dbraw/zinc/19/46/89/599194689.db2.gz JRVJFEFCAQVTSY-UKRRQHHQSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC000737704529 599194692 /nfs/dbraw/zinc/19/46/92/599194692.db2.gz JRVJFEFCAQVTSY-UKRRQHHQSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC000737704523 599194705 /nfs/dbraw/zinc/19/47/05/599194705.db2.gz JRVJFEFCAQVTSY-DZGCQCFKSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC000737704523 599194708 /nfs/dbraw/zinc/19/47/08/599194708.db2.gz JRVJFEFCAQVTSY-DZGCQCFKSA-N -1 3 366.331 2.759 20 30 FFEDHM C[C@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735506958 599199397 /nfs/dbraw/zinc/19/93/97/599199397.db2.gz YOENAJRSAWQTAT-SNVBAGLBSA-N -1 3 368.784 2.954 20 30 FFEDHM C[C@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735506958 599199399 /nfs/dbraw/zinc/19/93/99/599199399.db2.gz YOENAJRSAWQTAT-SNVBAGLBSA-N -1 3 368.784 2.954 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819709547 599244965 /nfs/dbraw/zinc/24/49/65/599244965.db2.gz ISIQUROJTDPBTM-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819709547 599244966 /nfs/dbraw/zinc/24/49/66/599244966.db2.gz ISIQUROJTDPBTM-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822541307 607295422 /nfs/dbraw/zinc/29/54/22/607295422.db2.gz NIPVYJVAFHBHPN-UHFFFAOYSA-N -1 3 373.376 2.991 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822541307 607295423 /nfs/dbraw/zinc/29/54/23/607295423.db2.gz NIPVYJVAFHBHPN-UHFFFAOYSA-N -1 3 373.376 2.991 20 30 FFEDHM CCCOc1cccc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000821133877 607315990 /nfs/dbraw/zinc/31/59/90/607315990.db2.gz IUQXREKFZSMOOL-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM CCCOc1cccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000821133877 607315991 /nfs/dbraw/zinc/31/59/91/607315991.db2.gz IUQXREKFZSMOOL-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379957 599278757 /nfs/dbraw/zinc/27/87/57/599278757.db2.gz IYPWPIOQUNEXHX-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379957 599278760 /nfs/dbraw/zinc/27/87/60/599278760.db2.gz IYPWPIOQUNEXHX-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819709521 599280801 /nfs/dbraw/zinc/28/08/01/599280801.db2.gz HXKIXBRXSIDVOI-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819709521 599280803 /nfs/dbraw/zinc/28/08/03/599280803.db2.gz HXKIXBRXSIDVOI-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM N#Cc1ccc(S[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826385979 607844265 /nfs/dbraw/zinc/84/42/65/607844265.db2.gz KFFNTMPWAVMZRM-AWEZNQCLSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1ccc(S[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826385979 607844266 /nfs/dbraw/zinc/84/42/66/607844266.db2.gz KFFNTMPWAVMZRM-AWEZNQCLSA-N -1 3 370.825 2.710 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000822015236 607321587 /nfs/dbraw/zinc/32/15/87/607321587.db2.gz GAAVSOWCSMZSCS-SFHVURJKSA-N -1 3 373.420 2.654 20 30 FFEDHM Cc1c(C(=O)C=Cc2csc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201226 598378481 /nfs/dbraw/zinc/37/84/81/598378481.db2.gz ACUYTUXCSDUWRA-SNAWJCMRSA-N -1 3 370.394 2.789 20 30 FFEDHM Cc1c(C(=O)C=Cc2csc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201226 598378482 /nfs/dbraw/zinc/37/84/82/598378482.db2.gz ACUYTUXCSDUWRA-SNAWJCMRSA-N -1 3 370.394 2.789 20 30 FFEDHM CC(N=Nc1ccc(Br)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450716 598438687 /nfs/dbraw/zinc/43/86/87/598438687.db2.gz CLUPWTRSUVHVKH-UHFFFAOYSA-N -1 3 358.203 2.860 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735391743 598659640 /nfs/dbraw/zinc/65/96/40/598659640.db2.gz XEWPBVVJVPRZDS-CQSZACIVSA-N -1 3 361.405 2.668 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735391743 598659642 /nfs/dbraw/zinc/65/96/42/598659642.db2.gz XEWPBVVJVPRZDS-CQSZACIVSA-N -1 3 361.405 2.668 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735391742 598660004 /nfs/dbraw/zinc/66/00/04/598660004.db2.gz XEWPBVVJVPRZDS-AWEZNQCLSA-N -1 3 361.405 2.668 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735391742 598660005 /nfs/dbraw/zinc/66/00/05/598660005.db2.gz XEWPBVVJVPRZDS-AWEZNQCLSA-N -1 3 361.405 2.668 20 30 FFEDHM C=CCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735412625 599501045 /nfs/dbraw/zinc/50/10/45/599501045.db2.gz FVOURQLSYAUXPL-UHFFFAOYSA-N -1 3 352.345 2.898 20 30 FFEDHM C=CCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735412625 599501048 /nfs/dbraw/zinc/50/10/48/599501048.db2.gz FVOURQLSYAUXPL-UHFFFAOYSA-N -1 3 352.345 2.898 20 30 FFEDHM N#CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000737694625 599551695 /nfs/dbraw/zinc/55/16/95/599551695.db2.gz OOTQUNBIXIBUHE-UHFFFAOYSA-N -1 3 368.441 2.711 20 30 FFEDHM N#CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000737694625 599551696 /nfs/dbraw/zinc/55/16/96/599551696.db2.gz OOTQUNBIXIBUHE-UHFFFAOYSA-N -1 3 368.441 2.711 20 30 FFEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963591 599566708 /nfs/dbraw/zinc/56/67/08/599566708.db2.gz HZLRVIPOZLHEIK-CYBMUJFWSA-N -1 3 361.409 2.984 20 30 FFEDHM CC(C)(C)CN(CCC#N)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819914549 599575039 /nfs/dbraw/zinc/57/50/39/599575039.db2.gz WKJQVPZWRMXBTM-UHFFFAOYSA-N -1 3 366.429 2.678 20 30 FFEDHM CC(C)(C)CN(CCC#N)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819914549 599575041 /nfs/dbraw/zinc/57/50/41/599575041.db2.gz WKJQVPZWRMXBTM-UHFFFAOYSA-N -1 3 366.429 2.678 20 30 FFEDHM N#Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822826124 599633107 /nfs/dbraw/zinc/63/31/07/599633107.db2.gz URQMFWHMQZAOKD-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822826124 599633108 /nfs/dbraw/zinc/63/31/08/599633108.db2.gz URQMFWHMQZAOKD-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000826386446 607395094 /nfs/dbraw/zinc/39/50/94/607395094.db2.gz FLQBVKFFHHVPCC-UHFFFAOYSA-N -1 3 363.356 2.688 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000826386446 607395096 /nfs/dbraw/zinc/39/50/96/607395096.db2.gz FLQBVKFFHHVPCC-UHFFFAOYSA-N -1 3 363.356 2.688 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736095381 599995618 /nfs/dbraw/zinc/99/56/18/599995618.db2.gz SWBAZZOFHKQGDZ-UHFFFAOYSA-N -1 3 361.442 2.702 20 30 FFEDHM N#Cc1ccccc1C=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826386977 607423879 /nfs/dbraw/zinc/42/38/79/607423879.db2.gz APAGDAROCXKEDR-CMDGGOBGSA-N -1 3 356.389 2.557 20 30 FFEDHM N#Cc1ccccc1C=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826386977 607423880 /nfs/dbraw/zinc/42/38/80/607423880.db2.gz APAGDAROCXKEDR-CMDGGOBGSA-N -1 3 356.389 2.557 20 30 FFEDHM C=CCSCCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819759009 607426988 /nfs/dbraw/zinc/42/69/88/607426988.db2.gz KUANFHLWRLSEFP-UHFFFAOYSA-N -1 3 362.459 2.695 20 30 FFEDHM C=CCSCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819759009 607426990 /nfs/dbraw/zinc/42/69/90/607426990.db2.gz KUANFHLWRLSEFP-UHFFFAOYSA-N -1 3 362.459 2.695 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)OCCO2 ZINC000822923186 607456861 /nfs/dbraw/zinc/45/68/61/607456861.db2.gz NWUSKYHJAANUHG-HWKANZROSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)OCCO2 ZINC000822923186 607456863 /nfs/dbraw/zinc/45/68/63/607456863.db2.gz NWUSKYHJAANUHG-HWKANZROSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)OCCO2 ZINC000822923188 607457274 /nfs/dbraw/zinc/45/72/74/607457274.db2.gz NWUSKYHJAANUHG-HYXAFXHYSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)OCCO2 ZINC000822923188 607457275 /nfs/dbraw/zinc/45/72/75/607457275.db2.gz NWUSKYHJAANUHG-HYXAFXHYSA-N -1 3 352.325 2.673 20 30 FFEDHM C=CCn1c(CCN2CCCCC2)nnc1SC/C=C(\C)C(=O)[O-] ZINC000825711077 601405564 /nfs/dbraw/zinc/40/55/64/601405564.db2.gz NOSAEVDTTYIRSA-RIYZIHGNSA-N -1 3 350.488 2.616 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1scnc1CC ZINC000823915539 607537194 /nfs/dbraw/zinc/53/71/94/607537194.db2.gz ZOIOLRLVEYDQIQ-UHFFFAOYSA-N -1 3 354.439 2.714 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1scnc1CC ZINC000823915539 607537196 /nfs/dbraw/zinc/53/71/96/607537196.db2.gz ZOIOLRLVEYDQIQ-UHFFFAOYSA-N -1 3 354.439 2.714 20 30 FFEDHM COc1ccc(CNC[C@@H](NC(=O)[O-])c2ccccc2OC)cc1C#N ZINC000829389696 603160177 /nfs/dbraw/zinc/16/01/77/603160177.db2.gz NLHXSHDRLRLTIG-MRXNPFEDSA-N -1 3 355.394 2.674 20 30 FFEDHM COc1cc(C#N)ccc1OCCN1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739852205 603408508 /nfs/dbraw/zinc/40/85/08/603408508.db2.gz MAVVNDLOJFZMRV-QGZVFWFLSA-N -1 3 373.453 2.800 20 30 FFEDHM CCN(CC1CCN(CCOc2ccc(C#N)cc2OC)CC1)C(=O)[O-] ZINC000827094068 603511247 /nfs/dbraw/zinc/51/12/47/603511247.db2.gz VHBIOBQGUZHZAD-UHFFFAOYSA-N -1 3 361.442 2.658 20 30 FFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCN(C(=O)[O-])CC1 ZINC000828085604 603983932 /nfs/dbraw/zinc/98/39/32/603983932.db2.gz HCXUDKISRUNCIS-ZDUSSCGKSA-N -1 3 372.450 2.547 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456380 607690726 /nfs/dbraw/zinc/69/07/26/607690726.db2.gz AOKGOMGBJWIKDJ-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456380 607690727 /nfs/dbraw/zinc/69/07/27/607690727.db2.gz AOKGOMGBJWIKDJ-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821693104 606305290 /nfs/dbraw/zinc/30/52/90/606305290.db2.gz RRLKCKPKYWCCAU-SREVYHEPSA-N -1 3 356.407 2.850 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821693104 606305293 /nfs/dbraw/zinc/30/52/93/606305293.db2.gz RRLKCKPKYWCCAU-SREVYHEPSA-N -1 3 356.407 2.850 20 30 FFEDHM N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000822837398 606489856 /nfs/dbraw/zinc/48/98/56/606489856.db2.gz MZGOSPXQJDLWMB-UHFFFAOYSA-N -1 3 364.434 2.860 20 30 FFEDHM N#Cc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000822837398 606489857 /nfs/dbraw/zinc/48/98/57/606489857.db2.gz MZGOSPXQJDLWMB-UHFFFAOYSA-N -1 3 364.434 2.860 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000822822920 606504181 /nfs/dbraw/zinc/50/41/81/606504181.db2.gz HYTUWEQDOHYFIT-UHFFFAOYSA-N -1 3 350.407 2.605 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000822822920 606504182 /nfs/dbraw/zinc/50/41/82/606504182.db2.gz HYTUWEQDOHYFIT-UHFFFAOYSA-N -1 3 350.407 2.605 20 30 FFEDHM CC(C)CN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820081695 606504830 /nfs/dbraw/zinc/50/48/30/606504830.db2.gz RHUFFGRIUBNDDJ-UHFFFAOYSA-N -1 3 360.421 2.970 20 30 FFEDHM CC(C)CN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820081695 606504831 /nfs/dbraw/zinc/50/48/31/606504831.db2.gz RHUFFGRIUBNDDJ-UHFFFAOYSA-N -1 3 360.421 2.970 20 30 FFEDHM CCN(C(=O)Cc1cccc(C#N)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821153876 606505306 /nfs/dbraw/zinc/50/53/06/606505306.db2.gz GDERXQDPMGOCRL-CQSZACIVSA-N -1 3 360.421 2.891 20 30 FFEDHM CCN(C(=O)Cc1cccc(C#N)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821153876 606505308 /nfs/dbraw/zinc/50/53/08/606505308.db2.gz GDERXQDPMGOCRL-CQSZACIVSA-N -1 3 360.421 2.891 20 30 FFEDHM N#CCCN(Cc1ccco1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822810363 606515156 /nfs/dbraw/zinc/51/51/56/606515156.db2.gz GXFIUKBAAQUYNQ-UHFFFAOYSA-N -1 3 374.351 2.977 20 30 FFEDHM N#CCCN(Cc1ccco1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822810363 606515158 /nfs/dbraw/zinc/51/51/58/606515158.db2.gz GXFIUKBAAQUYNQ-UHFFFAOYSA-N -1 3 374.351 2.977 20 30 FFEDHM CN1N=C(c2ccc(-c3nnn[n-]3)cc2)CS/C1=N\Cc1ccccc1 ZINC000821629751 606631948 /nfs/dbraw/zinc/63/19/48/606631948.db2.gz ARAWPRSGLSNZDQ-HNENSFHCSA-N -1 3 363.450 2.806 20 30 FFEDHM CN1N=C(c2ccc(-c3nn[n-]n3)cc2)CS/C1=N\Cc1ccccc1 ZINC000821629751 606631949 /nfs/dbraw/zinc/63/19/49/606631949.db2.gz ARAWPRSGLSNZDQ-HNENSFHCSA-N -1 3 363.450 2.806 20 30 FFEDHM O=C1Nc2ccc(C(F)(F)F)cc2C1=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823548254 606637641 /nfs/dbraw/zinc/63/76/41/606637641.db2.gz VCUQQYCWFIPFAI-UHFFFAOYSA-N -1 3 373.298 2.654 20 30 FFEDHM C#CCN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CCCC1 ZINC000819697574 606767416 /nfs/dbraw/zinc/76/74/16/606767416.db2.gz IDIUHQZMLKHPSO-UHFFFAOYSA-N -1 3 355.446 2.833 20 30 FFEDHM C#CCN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CCCC1 ZINC000819697574 606767418 /nfs/dbraw/zinc/76/74/18/606767418.db2.gz IDIUHQZMLKHPSO-UHFFFAOYSA-N -1 3 355.446 2.833 20 30 FFEDHM CN(C(=O)Cc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570815 606959241 /nfs/dbraw/zinc/95/92/41/606959241.db2.gz MFERLBAHNQGDQQ-UHFFFAOYSA-N -1 3 352.785 2.597 20 30 FFEDHM CN(C(=O)Cc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570815 606959243 /nfs/dbraw/zinc/95/92/43/606959243.db2.gz MFERLBAHNQGDQQ-UHFFFAOYSA-N -1 3 352.785 2.597 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821720235 607150823 /nfs/dbraw/zinc/15/08/23/607150823.db2.gz PPIUHWRSKLLMNY-YVMONPNESA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821720235 607150824 /nfs/dbraw/zinc/15/08/24/607150824.db2.gz PPIUHWRSKLLMNY-YVMONPNESA-N -1 3 354.341 2.919 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000823838879 607960567 /nfs/dbraw/zinc/96/05/67/607960567.db2.gz WCLFKAYCJUOSFK-OAHLLOKOSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000823838879 607960568 /nfs/dbraw/zinc/96/05/68/607960568.db2.gz WCLFKAYCJUOSFK-OAHLLOKOSA-N -1 3 362.393 2.761 20 30 FFEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1cncc(Br)c1 ZINC000826371774 607965117 /nfs/dbraw/zinc/96/51/17/607965117.db2.gz TXKGNMOUPZGTOH-UHFFFAOYSA-N -1 3 362.166 2.609 20 30 FFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cncc(Br)c1 ZINC000826371774 607965118 /nfs/dbraw/zinc/96/51/18/607965118.db2.gz TXKGNMOUPZGTOH-UHFFFAOYSA-N -1 3 362.166 2.609 20 30 FFEDHM C=C[C@@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000823883583 607984733 /nfs/dbraw/zinc/98/47/33/607984733.db2.gz UTXNFDFWVUZAGH-ZDUSSCGKSA-N -1 3 351.385 2.982 20 30 FFEDHM C=C[C@@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000823883583 607984734 /nfs/dbraw/zinc/98/47/34/607984734.db2.gz UTXNFDFWVUZAGH-ZDUSSCGKSA-N -1 3 351.385 2.982 20 30 FFEDHM N#CCOc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826382039 608024432 /nfs/dbraw/zinc/02/44/32/608024432.db2.gz LYUABWNYQPCAJW-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM N#CCOc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826382039 608024433 /nfs/dbraw/zinc/02/44/33/608024433.db2.gz LYUABWNYQPCAJW-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)c1 ZINC000826386644 608052527 /nfs/dbraw/zinc/05/25/27/608052527.db2.gz MZEVEBYDXTVQJL-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)c1 ZINC000826386644 608052528 /nfs/dbraw/zinc/05/25/28/608052528.db2.gz MZEVEBYDXTVQJL-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM COc1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1Cl ZINC000826207818 608095305 /nfs/dbraw/zinc/09/53/05/608095305.db2.gz FVYFXRPHCPQWCE-UHFFFAOYSA-N -1 3 373.829 2.670 20 30 FFEDHM COc1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1Cl ZINC000826207818 608095306 /nfs/dbraw/zinc/09/53/06/608095306.db2.gz FVYFXRPHCPQWCE-UHFFFAOYSA-N -1 3 373.829 2.670 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824779820 608140403 /nfs/dbraw/zinc/14/04/03/608140403.db2.gz WYZGYLFDXAVSGD-LJQANCHMSA-N -1 3 368.441 2.568 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824779820 608140404 /nfs/dbraw/zinc/14/04/04/608140404.db2.gz WYZGYLFDXAVSGD-LJQANCHMSA-N -1 3 368.441 2.568 20 30 FFEDHM N#Cc1ccc(C2=CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000826384815 608442212 /nfs/dbraw/zinc/44/22/12/608442212.db2.gz KRTVMMWHUSGLKE-UHFFFAOYSA-N -1 3 373.376 2.940 20 30 FFEDHM N#Cc1ccc(C2=CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000826384815 608442214 /nfs/dbraw/zinc/44/22/14/608442214.db2.gz KRTVMMWHUSGLKE-UHFFFAOYSA-N -1 3 373.376 2.940 20 30 FFEDHM N#Cc1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826385686 608557507 /nfs/dbraw/zinc/55/75/07/608557507.db2.gz XANBWAIPGJWGGO-UHFFFAOYSA-N -1 3 361.409 2.935 20 30 FFEDHM N#Cc1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000826385686 608557509 /nfs/dbraw/zinc/55/75/09/608557509.db2.gz XANBWAIPGJWGGO-UHFFFAOYSA-N -1 3 361.409 2.935 20 30 FFEDHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000824522935 608574510 /nfs/dbraw/zinc/57/45/10/608574510.db2.gz XGAKXFCDMXPWIV-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000824522935 608574511 /nfs/dbraw/zinc/57/45/11/608574511.db2.gz XGAKXFCDMXPWIV-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNc3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826386798 608866383 /nfs/dbraw/zinc/86/63/83/608866383.db2.gz SXEBTDZDMICDJI-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNc3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826386798 608866385 /nfs/dbraw/zinc/86/63/85/608866385.db2.gz SXEBTDZDMICDJI-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM CC1(C#N)CCN(Cc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824779910 609142548 /nfs/dbraw/zinc/14/25/48/609142548.db2.gz XXRPFJBVOOSUOB-UHFFFAOYSA-N -1 3 361.247 2.755 20 30 FFEDHM CSc1ccccc1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826230663 609186974 /nfs/dbraw/zinc/18/69/74/609186974.db2.gz DRVJGICZIZJSRM-UHFFFAOYSA-N -1 3 350.407 2.641 20 30 FFEDHM CSc1ccccc1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826230663 609186975 /nfs/dbraw/zinc/18/69/75/609186975.db2.gz DRVJGICZIZJSRM-UHFFFAOYSA-N -1 3 350.407 2.641 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1O ZINC000826179097 609271760 /nfs/dbraw/zinc/27/17/60/609271760.db2.gz ZEYJNHMOGUEIDT-UTCJRWHESA-N -1 3 370.340 2.625 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1O ZINC000826179097 609271761 /nfs/dbraw/zinc/27/17/61/609271761.db2.gz ZEYJNHMOGUEIDT-UTCJRWHESA-N -1 3 370.340 2.625 20 30 FFEDHM COCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826163184 609271960 /nfs/dbraw/zinc/27/19/60/609271960.db2.gz JJCCAKVTHUIGMF-VMPITWQZSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826163184 609271962 /nfs/dbraw/zinc/27/19/62/609271962.db2.gz JJCCAKVTHUIGMF-VMPITWQZSA-N -1 3 368.368 2.927 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000823999440 609370221 /nfs/dbraw/zinc/37/02/21/609370221.db2.gz AGDQAWSUIKCZBA-YCRREMRBSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000823999440 609370224 /nfs/dbraw/zinc/37/02/24/609370224.db2.gz AGDQAWSUIKCZBA-YCRREMRBSA-N -1 3 351.341 2.860 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SC[C@H]2CCc3ccccc3C2)nc1N ZINC000826383743 609379406 /nfs/dbraw/zinc/37/94/06/609379406.db2.gz ODXSFJPBJBFLIJ-NSHDSACASA-N -1 3 363.450 2.613 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SC[C@H]2CCc3ccccc3C2)nc1N ZINC000826383743 609379409 /nfs/dbraw/zinc/37/94/09/609379409.db2.gz ODXSFJPBJBFLIJ-NSHDSACASA-N -1 3 363.450 2.613 20 30 FFEDHM CCc1nn(C)c(Cl)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825759276 609473162 /nfs/dbraw/zinc/47/31/62/609473162.db2.gz BBCSGLUZGHMBIQ-UHFFFAOYSA-N -1 3 365.228 2.915 20 30 FFEDHM CCc1nn(C)c(Cl)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825759276 609473164 /nfs/dbraw/zinc/47/31/64/609473164.db2.gz BBCSGLUZGHMBIQ-UHFFFAOYSA-N -1 3 365.228 2.915 20 30 FFEDHM Cc1nn(C)c2ncc(C=NNc3ccc(-c4nnn[n-]4)c(Cl)c3)cc12 ZINC000826334066 609473815 /nfs/dbraw/zinc/47/38/15/609473815.db2.gz GJCQOAJWBXCFKP-UHFFFAOYSA-N -1 3 367.804 2.556 20 30 FFEDHM Cc1nn(C)c2ncc(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)cc12 ZINC000826334066 609473817 /nfs/dbraw/zinc/47/38/17/609473817.db2.gz GJCQOAJWBXCFKP-UHFFFAOYSA-N -1 3 367.804 2.556 20 30 FFEDHM CC(C)Oc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1C#N ZINC000824329987 609490217 /nfs/dbraw/zinc/49/02/17/609490217.db2.gz ZYAOLCUEVKLXGQ-UHFFFAOYSA-N -1 3 374.408 2.785 20 30 FFEDHM CC(C)Oc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1C#N ZINC000824329987 609490218 /nfs/dbraw/zinc/49/02/18/609490218.db2.gz ZYAOLCUEVKLXGQ-UHFFFAOYSA-N -1 3 374.408 2.785 20 30 FFEDHM CC(Cc1ccccc1C)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000743436123 735297446 /nfs/dbraw/zinc/29/74/46/735297446.db2.gz GDJUMSINUKPGRK-UHFFFAOYSA-N -1 3 361.423 2.941 20 30 FFEDHM CC(C)N(C)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493688 727941864 /nfs/dbraw/zinc/94/18/64/727941864.db2.gz CGHMEJDPURDPQT-INIZCTEOSA-N -1 3 357.435 2.601 20 30 FFEDHM O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868711 728305219 /nfs/dbraw/zinc/30/52/19/728305219.db2.gz XTGNBNIMXLEAND-UHFFFAOYSA-N -1 3 353.260 2.533 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC(C)(C)C2)ccc1F ZINC000112685486 728547490 /nfs/dbraw/zinc/54/74/90/728547490.db2.gz NZGBGRMNWGXOOV-UHFFFAOYSA-N -1 3 354.447 2.552 20 30 FFEDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000125293286 728681874 /nfs/dbraw/zinc/68/18/74/728681874.db2.gz CAVXPUFRNHPGGJ-GFCCVEGCSA-N -1 3 356.856 2.594 20 30 FFEDHM C=C(C)CN(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000184115751 729320445 /nfs/dbraw/zinc/32/04/45/729320445.db2.gz CUNHFZKZOKATLK-UHFFFAOYSA-N -1 3 359.451 2.986 20 30 FFEDHM CN(CC/N=C\c1cc(Cl)ccc1[O-])S(=O)(=O)c1cccs1 ZINC000255376630 729638469 /nfs/dbraw/zinc/63/84/69/729638469.db2.gz GPGQXAZELWJJRS-YBEGLDIGSA-N -1 3 358.872 2.847 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCCC2CC2)CCCC1 ZINC000329907111 729799488 /nfs/dbraw/zinc/79/94/88/729799488.db2.gz SRBVTRPLNGLQRY-UHFFFAOYSA-N -1 3 355.460 2.639 20 30 FFEDHM N#Cc1cccc(N2CCN(Cc3c([O-])cccc3Br)CC2)n1 ZINC000862326102 730687527 /nfs/dbraw/zinc/68/75/27/730687527.db2.gz JGCOUKTYOHGEGF-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cccc(Br)c3[O-])CC2)cn1 ZINC000862421525 730700345 /nfs/dbraw/zinc/70/03/45/730700345.db2.gz XJUGSVPABAHYTA-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM N#Cc1cc(NCc2nc3c(c(=O)[n-]2)COCC3)ccc1C(F)(F)F ZINC000866289494 731046838 /nfs/dbraw/zinc/04/68/38/731046838.db2.gz FELKEYDMZLKSAF-UHFFFAOYSA-N -1 3 350.300 2.757 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651616857 731108284 /nfs/dbraw/zinc/10/82/84/731108284.db2.gz PEASNLYGIVTPIT-UHFFFAOYSA-N -1 3 354.291 2.690 20 30 FFEDHM Cc1sccc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000870689626 731545181 /nfs/dbraw/zinc/54/51/81/731545181.db2.gz SQNVSVBILHZMPW-JTQLQIEISA-N -1 3 363.464 2.512 20 30 FFEDHM C#CCCCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316571 731619024 /nfs/dbraw/zinc/61/90/24/731619024.db2.gz WMLMYCKKJDBZKW-CYBMUJFWSA-N -1 3 352.356 2.989 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc3nccn3c2C)cc1 ZINC000780308683 738532152 /nfs/dbraw/zinc/53/21/52/738532152.db2.gz BSWKISUTPHTCGJ-ZDUSSCGKSA-N -1 3 354.391 2.674 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1sc2nccn2c1C ZINC000780306776 738532305 /nfs/dbraw/zinc/53/23/05/738532305.db2.gz ZYUCFTHUPGTLHR-LLVKDONJSA-N -1 3 354.391 2.674 20 30 FFEDHM CCCn1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)nn1 ZINC000872338284 731752496 /nfs/dbraw/zinc/75/24/96/731752496.db2.gz OMUPQCWGESCPLW-UHFFFAOYSA-N -1 3 359.484 2.743 20 30 FFEDHM CC1(C)CCc2onc(C[N-]S(=O)(=O)CC3(C#N)CCCC3)c2C1 ZINC000872577204 731793432 /nfs/dbraw/zinc/79/34/32/731793432.db2.gz ZCASJGFNDRPUBA-UHFFFAOYSA-N -1 3 351.472 2.693 20 30 FFEDHM O=C(Nc1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000877895049 732448033 /nfs/dbraw/zinc/44/80/33/732448033.db2.gz LBXNHANHLJGQNE-VIFPVBQESA-N -1 3 351.712 2.861 20 30 FFEDHM Cn1ncc2c1nc(N=NCc1ccc(SC(F)F)cc1)[n-]c2=O ZINC000781594062 738639081 /nfs/dbraw/zinc/63/90/81/738639081.db2.gz AENIKRZZZZAQJK-UHFFFAOYSA-N -1 3 350.354 2.830 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(C)CC2)ccc1F ZINC000726957148 734455976 /nfs/dbraw/zinc/45/59/76/734455976.db2.gz JRJIGFJFYBLZPA-UHFFFAOYSA-N -1 3 354.447 2.552 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)c1 ZINC000728766823 734542836 /nfs/dbraw/zinc/54/28/36/734542836.db2.gz MAFNCGJFINKJPS-CQSZACIVSA-N -1 3 356.403 2.791 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2cc(C[S@](C)=O)ccc2Cl)c1[O-] ZINC000735228858 734934593 /nfs/dbraw/zinc/93/45/93/734934593.db2.gz JICLSTOIIULVHH-QHCPKHFHSA-N -1 3 352.843 2.870 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000735381629 734944950 /nfs/dbraw/zinc/94/49/50/734944950.db2.gz XAXUJISQHNKAEE-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000735381629 734944953 /nfs/dbraw/zinc/94/49/53/734944953.db2.gz XAXUJISQHNKAEE-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM Cn1cc(N2CCC[C@@H](/N=C\c3cc(Br)ccc3[O-])C2)cn1 ZINC000741464864 735144755 /nfs/dbraw/zinc/14/47/55/735144755.db2.gz QYYDZMQHKNFWPA-NAQJVLLRSA-N -1 3 363.259 2.976 20 30 FFEDHM CCOc1cc(C=Nn2nnc3c2CCCC3)cc(Br)c1[O-] ZINC000901334221 735768237 /nfs/dbraw/zinc/76/82/37/735768237.db2.gz ROFPOJHGDFQZDW-UHFFFAOYSA-N -1 3 365.231 2.906 20 30 FFEDHM Cc1cc(S(C)(=O)=O)cc(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC000901373147 735771963 /nfs/dbraw/zinc/77/19/63/735771963.db2.gz SSJZRIGYPYTDPI-UHFFFAOYSA-N -1 3 351.399 2.878 20 30 FFEDHM COc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)cc1Br ZINC000750951078 735828525 /nfs/dbraw/zinc/82/85/25/735828525.db2.gz OBKDUBLNRPVMKH-LSCVHKIXSA-N -1 3 365.227 2.978 20 30 FFEDHM C[C@@]1(CS(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)CC1(Cl)Cl ZINC000903115486 736033716 /nfs/dbraw/zinc/03/37/16/736033716.db2.gz BTYAPMCLRCKNSI-LSDHHAIUSA-N -1 3 373.305 2.941 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H](NCc3ccc(C(=O)[O-])s3)C2=O)cc1 ZINC000903683364 736150387 /nfs/dbraw/zinc/15/03/87/736150387.db2.gz LOALJHOKRDWTLZ-HNNXBMFYSA-N -1 3 355.419 2.603 20 30 FFEDHM C=C(C)[C@@H]1CC=C(COC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CC1 ZINC000761240108 736712341 /nfs/dbraw/zinc/71/23/41/736712341.db2.gz DVIFNFNVCHNCBD-CQSZACIVSA-N -1 3 353.440 2.956 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908751778 736826126 /nfs/dbraw/zinc/82/61/26/736826126.db2.gz NRRSJIVCSVGNJU-ZIAGYGMSSA-N -1 3 351.472 2.604 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000762554621 736836712 /nfs/dbraw/zinc/83/67/12/736836712.db2.gz KLUJHZAXXFNONT-SECBINFHSA-N -1 3 365.224 2.567 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909094979 736883383 /nfs/dbraw/zinc/88/33/83/736883383.db2.gz QTBDGKALHXRYSL-IMJJTQAJSA-N -1 3 365.861 2.544 20 30 FFEDHM COc1cc(C(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)c(OC)cc1[O-] ZINC000763105064 736902743 /nfs/dbraw/zinc/90/27/43/736902743.db2.gz NBVGFWRMOILCRR-RMKNXTFCSA-N -1 3 362.403 2.709 20 30 FFEDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000764304049 737009827 /nfs/dbraw/zinc/00/98/27/737009827.db2.gz UOJVEQBRSCJJKQ-UHFFFAOYSA-N -1 3 361.701 2.984 20 30 FFEDHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(F)cc1F ZINC000766546891 737240505 /nfs/dbraw/zinc/24/05/05/737240505.db2.gz HRYFONJDRXKOTM-UHFFFAOYSA-N -1 3 365.361 2.904 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)nc1Cl ZINC000766839816 737267809 /nfs/dbraw/zinc/26/78/09/737267809.db2.gz ATJARZQOWJIHHF-SNVBAGLBSA-N -1 3 359.769 2.713 20 30 FFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccccc1 ZINC000785512278 738972555 /nfs/dbraw/zinc/97/25/55/738972555.db2.gz PYBHRHJNXVABDV-CQSZACIVSA-N -1 3 363.460 2.886 20 30 FFEDHM CCCCC[C@H](C)CNC(=S)NN=Cc1c([O-])c(C)ncc1CO ZINC000916276241 737691775 /nfs/dbraw/zinc/69/17/75/737691775.db2.gz RUGZPRYZDGBHEL-LBPRGKRZSA-N -1 3 352.504 2.602 20 30 FFEDHM Cc1noc(C)c1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000916320800 737696844 /nfs/dbraw/zinc/69/68/44/737696844.db2.gz KKOJXMISQVMYJA-AWEZNQCLSA-N -1 3 357.395 2.566 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn2cccnc12 ZINC000916928845 737733026 /nfs/dbraw/zinc/73/30/26/737733026.db2.gz VZJMARWWMDRIOQ-SNVBAGLBSA-N -1 3 374.187 2.997 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H](C)C2)ccc1F ZINC000919867379 737880872 /nfs/dbraw/zinc/88/08/72/737880872.db2.gz YRRARNGQBQGOTE-KGLIPLIRSA-N -1 3 368.474 2.846 20 30 FFEDHM COc1cc(C=NNS(=O)(=O)Cc2ccccc2)cc(Cl)c1[O-] ZINC000920384179 737904453 /nfs/dbraw/zinc/90/44/53/737904453.db2.gz VRLZHRVERUIUSW-UHFFFAOYSA-N -1 3 354.815 2.508 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C(F)F)[C@H]1CCCO1 ZINC000774472375 737992730 /nfs/dbraw/zinc/99/27/30/737992730.db2.gz YLRILEQGHVAVRI-UKRRQHHQSA-N -1 3 354.353 2.564 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776014153 738152292 /nfs/dbraw/zinc/15/22/92/738152292.db2.gz HNUWXQHCSBQIRI-OLZOCXBDSA-N -1 3 373.906 2.653 20 30 FFEDHM C#CCC1(NC(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCC1 ZINC000929910587 739036422 /nfs/dbraw/zinc/03/64/22/739036422.db2.gz LHZPRJOVWSFHOA-UHFFFAOYSA-N -1 3 365.455 2.524 20 30 FFEDHM [O-]c1c(O)ccc(C=Nc2cc(F)c(N3CCOCC3)cc2F)c1O ZINC000794690662 739920158 /nfs/dbraw/zinc/92/01/58/739920158.db2.gz XZKJZAOMQMGDSH-UHFFFAOYSA-N -1 3 350.321 2.669 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc1 ZINC000797833657 740278213 /nfs/dbraw/zinc/27/82/13/740278213.db2.gz OZMKKDYBRHFVCH-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000797841710 740279369 /nfs/dbraw/zinc/27/93/69/740279369.db2.gz OKAQPOWRSAWBMD-BXKDBHETSA-N -1 3 351.255 2.648 20 30 FFEDHM C=C(C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)c1ccccc1 ZINC000805124141 740941658 /nfs/dbraw/zinc/94/16/58/740941658.db2.gz YDWZJZVODBEDJH-UHFFFAOYSA-N -1 3 366.826 2.513 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(NN=Cc2c([O-])cccc2Cl)cc1 ZINC000812230965 741598650 /nfs/dbraw/zinc/59/86/50/741598650.db2.gz LXQBSHGRTWEPEC-UHFFFAOYSA-N -1 3 353.831 2.742 20 30 FFEDHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000812327216 741609453 /nfs/dbraw/zinc/60/94/53/741609453.db2.gz GKRPAWLMWYKGJE-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCC[C@H]1[C@@H]1CCOC1 ZINC000814859004 741870698 /nfs/dbraw/zinc/87/06/98/741870698.db2.gz LHNMIEJRHNBDKA-SJORKVTESA-N -1 3 350.484 2.731 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000816753121 742058825 /nfs/dbraw/zinc/05/88/25/742058825.db2.gz ZQBNAFVHMWIUQB-NSHDSACASA-N -1 3 351.815 2.574 20 30 FFEDHM O=C(CSCc1ccc(Cl)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000816759572 742059310 /nfs/dbraw/zinc/05/93/10/742059310.db2.gz PLARYOYKTDUXRJ-GFCCVEGCSA-N -1 3 363.266 2.723 20 30 FFEDHM O=C(CSCc1ccc(Cl)cc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000816759573 742059571 /nfs/dbraw/zinc/05/95/71/742059571.db2.gz PLARYOYKTDUXRJ-LBPRGKRZSA-N -1 3 363.266 2.723 20 30 FFEDHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820143946 742467507 /nfs/dbraw/zinc/46/75/07/742467507.db2.gz PLDKWKARXYJQRW-LLVKDONJSA-N -1 3 370.192 2.677 20 30 FFEDHM O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000820471254 742508791 /nfs/dbraw/zinc/50/87/91/742508791.db2.gz QPBMNDCRABPZGN-MJRJWQSSSA-N -1 3 362.735 2.868 20 30 FFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)cc(Cl)c1Br ZINC000820482406 742510218 /nfs/dbraw/zinc/51/02/18/742510218.db2.gz JLYLOJYHQQOICN-JTQLQIEISA-N -1 3 361.623 2.521 20 30 FFEDHM COc1cc(/C=C\C(=O)c2cc(CO)on2)cc(Br)c1[O-] ZINC000821012407 742576958 /nfs/dbraw/zinc/57/69/58/742576958.db2.gz ISLQLWMQDGBHAN-IHWYPQMZSA-N -1 3 354.156 2.540 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c(Cl)cccc1C(=O)NO[C@@H](C)C=C ZINC000824233535 743041111 /nfs/dbraw/zinc/04/11/11/743041111.db2.gz UAYFURDIXVJSEW-NEPJUHHUSA-N -1 3 352.818 2.741 20 30 FFEDHM N#C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000826380317 743384124 /nfs/dbraw/zinc/38/41/24/743384124.db2.gz VIILPILPCGKLAT-OAHLLOKOSA-N -1 3 357.439 2.974 20 30 FFEDHM N#C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000826380317 743384134 /nfs/dbraw/zinc/38/41/34/743384134.db2.gz VIILPILPCGKLAT-OAHLLOKOSA-N -1 3 357.439 2.974 20 30 FFEDHM C#CCOc1ccccc1CN1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000827852971 744990448 /nfs/dbraw/zinc/99/04/48/744990448.db2.gz ZLZSETQRUDMGRN-HIFRSBDPSA-N -1 3 354.372 2.588 20 30 FFEDHM N#Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)sc1Cl ZINC001054861715 745038052 /nfs/dbraw/zinc/03/80/52/745038052.db2.gz AEFPJIJATZITOC-CDMKHQONSA-N -1 3 374.853 2.913 20 30 FFEDHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)co1 ZINC000832478819 745705354 /nfs/dbraw/zinc/70/53/54/745705354.db2.gz RFBFNCULGZWJPI-UHFFFAOYSA-N -1 3 359.329 2.606 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Br)cc2ccccc21 ZINC000848139440 748851229 /nfs/dbraw/zinc/85/12/29/748851229.db2.gz WEPZYWFKMPNJDF-AWEZNQCLSA-N -1 3 363.211 2.712 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000848133601 748851291 /nfs/dbraw/zinc/85/12/91/748851291.db2.gz CHHMCWSVUONRAI-GFCCVEGCSA-N -1 3 357.237 2.912 20 30 FFEDHM Cc1cc(Br)cc2c(C(=O)N[C@H]3CCCN([O-])C3=O)coc21 ZINC000848134095 748851393 /nfs/dbraw/zinc/85/13/93/748851393.db2.gz NJYVGFOOJILEOU-LBPRGKRZSA-N -1 3 367.199 2.614 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC000893216891 971005820 /nfs/dbraw/zinc/00/58/20/971005820.db2.gz XQFYESOSMRPFJX-UHFFFAOYSA-N -1 3 352.394 2.582 20 30 FFEDHM COc1ccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CCC2)cc1 ZINC000737075196 944945718 /nfs/dbraw/zinc/94/57/18/944945718.db2.gz DRSZWLFDZIHJNM-UHFFFAOYSA-N -1 3 374.404 2.807 20 30 FFEDHM COc1ccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)CCC2)cc1 ZINC000737075196 944945723 /nfs/dbraw/zinc/94/57/23/944945723.db2.gz DRSZWLFDZIHJNM-UHFFFAOYSA-N -1 3 374.404 2.807 20 30 FFEDHM COc1ccc(Cl)cc1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737098240 944957679 /nfs/dbraw/zinc/95/76/79/944957679.db2.gz SGUUPOYMKWTHGI-UHFFFAOYSA-N -1 3 368.784 2.582 20 30 FFEDHM COc1ccc(Cl)cc1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737098240 944957685 /nfs/dbraw/zinc/95/76/85/944957685.db2.gz SGUUPOYMKWTHGI-UHFFFAOYSA-N -1 3 368.784 2.582 20 30 FFEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)c(OC)c1 ZINC000820831794 945566014 /nfs/dbraw/zinc/56/60/14/945566014.db2.gz CVKPTGUOKFCLSD-UHFFFAOYSA-N -1 3 366.425 2.788 20 30 FFEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)c(OC)c1 ZINC000820831794 945566018 /nfs/dbraw/zinc/56/60/18/945566018.db2.gz CVKPTGUOKFCLSD-UHFFFAOYSA-N -1 3 366.425 2.788 20 30 FFEDHM COc1cc(F)c(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821719674 945848647 /nfs/dbraw/zinc/84/86/47/945848647.db2.gz HLAGLUXCHZGYQI-UHFFFAOYSA-N -1 3 370.388 2.537 20 30 FFEDHM COc1cc(F)c(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821719674 945848663 /nfs/dbraw/zinc/84/86/63/945848663.db2.gz HLAGLUXCHZGYQI-UHFFFAOYSA-N -1 3 370.388 2.537 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001573554173 946896169 /nfs/dbraw/zinc/89/61/69/946896169.db2.gz NYWKXKVGLGQEOK-UHFFFAOYSA-N -1 3 374.404 2.739 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001573554173 946896181 /nfs/dbraw/zinc/89/61/81/946896181.db2.gz NYWKXKVGLGQEOK-UHFFFAOYSA-N -1 3 374.404 2.739 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001573293751 946968549 /nfs/dbraw/zinc/96/85/49/946968549.db2.gz ILUFLYRCDLGGSZ-JKSUJKDBSA-N -1 3 362.441 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001573293751 946968553 /nfs/dbraw/zinc/96/85/53/946968553.db2.gz ILUFLYRCDLGGSZ-JKSUJKDBSA-N -1 3 362.441 2.690 20 30 FFEDHM C=C(C)C[C@@H](CO)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001573300364 947111692 /nfs/dbraw/zinc/11/16/92/947111692.db2.gz OXUKYFJANLNLNM-AWEZNQCLSA-N -1 3 363.421 2.591 20 30 FFEDHM C=C(C)C[C@@H](CO)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001573300364 947111693 /nfs/dbraw/zinc/11/16/93/947111693.db2.gz OXUKYFJANLNLNM-AWEZNQCLSA-N -1 3 363.421 2.591 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573314709 947235198 /nfs/dbraw/zinc/23/51/98/947235198.db2.gz FFTRWWHYIDUEPT-PWSUYJOCSA-N -1 3 363.491 2.541 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)C[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CCC1 ZINC001573325439 947356885 /nfs/dbraw/zinc/35/68/85/947356885.db2.gz BSWGHHSMFJWXOJ-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)C[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CCC1 ZINC001573325439 947356900 /nfs/dbraw/zinc/35/69/00/947356900.db2.gz BSWGHHSMFJWXOJ-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573327720 947396948 /nfs/dbraw/zinc/39/69/48/947396948.db2.gz JYZRVADHVJSIOP-GOEBONIOSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573327720 947396958 /nfs/dbraw/zinc/39/69/58/947396958.db2.gz JYZRVADHVJSIOP-GOEBONIOSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573335446 947478139 /nfs/dbraw/zinc/47/81/39/947478139.db2.gz ZVBZSZUXQPMYTK-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573335446 947478144 /nfs/dbraw/zinc/47/81/44/947478144.db2.gz ZVBZSZUXQPMYTK-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCSC ZINC001573341122 947528784 /nfs/dbraw/zinc/52/87/84/947528784.db2.gz HYDPLHUQPHLTCV-UHFFFAOYSA-N -1 3 370.486 2.501 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCSC ZINC001573341122 947528793 /nfs/dbraw/zinc/52/87/93/947528793.db2.gz HYDPLHUQPHLTCV-UHFFFAOYSA-N -1 3 370.486 2.501 20 30 FFEDHM N#CCc1ccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826382843 948180553 /nfs/dbraw/zinc/18/05/53/948180553.db2.gz XNNBXTXSSCOHAO-UHFFFAOYSA-N -1 3 365.418 2.768 20 30 FFEDHM N#CCc1ccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826382843 948180562 /nfs/dbraw/zinc/18/05/62/948180562.db2.gz XNNBXTXSSCOHAO-UHFFFAOYSA-N -1 3 365.418 2.768 20 30 FFEDHM C#CC(=O)N1CC[C@]2(CCC[C@@H]2C(=O)Nc2nc3c(cccc3[O-])s2)C1 ZINC001269841289 964346379 /nfs/dbraw/zinc/34/63/79/964346379.db2.gz HBPJDQFDWVQWLA-CWTRNNRKSA-N -1 3 369.446 2.592 20 30 FFEDHM Cc1ncc(Nc2ccc(S(=O)(=O)OCC(C)(C)C)cc2)c(=O)[n-]1 ZINC001176261531 1013672622 /nfs/dbraw/zinc/67/26/22/1013672622.db2.gz CJLGJXJJHTVSTD-UHFFFAOYSA-N -1 3 351.428 2.986 20 30 FFEDHM N#CCCCN1CC[C@@]2(CCCN(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC001270960250 967876670 /nfs/dbraw/zinc/87/66/70/967876670.db2.gz LQLPVPFISHASDC-FQEVSTJZSA-N -1 3 355.438 2.541 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1Cc1cc(F)ccc1C#N ZINC001088471610 979755832 /nfs/dbraw/zinc/75/58/32/979755832.db2.gz VRRXBEFASRNPND-ACJLOTCBSA-N -1 3 353.397 2.796 20 30 FFEDHM CCOC(=O)C1(C(=O)N([O-])Cc2cccc3ccccc32)CCOCC1 ZINC000904171952 980206535 /nfs/dbraw/zinc/20/65/35/980206535.db2.gz VREUBIBUCWJOCA-UHFFFAOYSA-N -1 3 357.406 2.918 20 30 FFEDHM C=CCCC[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908752941 981522618 /nfs/dbraw/zinc/52/26/18/981522618.db2.gz TYCHALOIYARJMZ-ZWKOTPCHSA-N -1 3 359.470 2.932 20 30 FFEDHM C=CCN1CCC(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)CC1 ZINC000908946906 981575960 /nfs/dbraw/zinc/57/59/60/981575960.db2.gz WUTFPWVSBKJRPZ-ROUUACIJSA-N -1 3 357.454 2.637 20 30 FFEDHM C=CCCC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910915460 982092263 /nfs/dbraw/zinc/09/22/63/982092263.db2.gz MFCZBRZGTQCBFL-FUHWJXTLSA-N -1 3 362.445 2.963 20 30 FFEDHM C=CCCC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910915462 982094051 /nfs/dbraw/zinc/09/40/51/982094051.db2.gz MFCZBRZGTQCBFL-WMZOPIPTSA-N -1 3 362.445 2.963 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC000992612066 987191944 /nfs/dbraw/zinc/19/19/44/987191944.db2.gz NEWVUIWUSOTCQN-YCRPNKLZSA-N -1 3 356.466 2.915 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc2c(c1)COC2 ZINC000762160589 988158689 /nfs/dbraw/zinc/15/86/89/988158689.db2.gz YWTAZKAXROXTNV-UHFFFAOYSA-N -1 3 352.390 2.982 20 30 FFEDHM COc1ccc(C[C@H](C)C/N=C\c2c([O-])c(C)ncc2CO)cc1OC ZINC000762436680 988366723 /nfs/dbraw/zinc/36/67/23/988366723.db2.gz OZJBQMZWBBKUER-GMDDEGIZSA-N -1 3 358.438 2.903 20 30 FFEDHM Cc1ccc2c(c1)C(=N[N-]c1c(F)cc(C(=O)NC3CC3)cc1F)C(=O)N2 ZINC000763185347 989192862 /nfs/dbraw/zinc/19/28/62/989192862.db2.gz AAUVVCIIZXTAET-UHFFFAOYSA-N -1 3 370.359 2.934 20 30 FFEDHM C#Cc1ccc(C(=O)N2C[C@@H](CNC(=O)c3ccccc3[O-])[C@H](C)C2)cc1 ZINC000993761522 989409042 /nfs/dbraw/zinc/40/90/42/989409042.db2.gz HFVQWROWKADXHD-CRAIPNDOSA-N -1 3 362.429 2.512 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nc1C ZINC000916899356 990016093 /nfs/dbraw/zinc/01/60/93/990016093.db2.gz OCTVUZMMPJLCRX-OAHLLOKOSA-N -1 3 351.362 2.528 20 30 FFEDHM Cc1cc2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c(C)n2n1 ZINC000916911307 990031816 /nfs/dbraw/zinc/03/18/16/990031816.db2.gz VJHBKUCGDVVWOB-GFCCVEGCSA-N -1 3 367.796 2.961 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccc(F)cc1 ZINC000917509248 990234262 /nfs/dbraw/zinc/23/42/62/990234262.db2.gz PAWXPPJECPUBQN-OAHLLOKOSA-N -1 3 363.352 2.676 20 30 FFEDHM Cc1ccc2c(c1)OCCN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000154752595 990428110 /nfs/dbraw/zinc/42/81/10/990428110.db2.gz GGJDTRADEOVIAX-UHFFFAOYSA-N -1 3 351.406 2.530 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]2c2ccccc2)ccc1F ZINC000918573342 990439541 /nfs/dbraw/zinc/43/95/41/990439541.db2.gz SHERGSADBYGMQU-KRWDZBQOSA-N -1 3 374.437 2.877 20 30 FFEDHM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001598498754 992400410 /nfs/dbraw/zinc/40/04/10/992400410.db2.gz MGUFYNQJFBOYCI-SONCPKABSA-N -1 3 366.417 2.700 20 30 FFEDHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184921 995050675 /nfs/dbraw/zinc/05/06/75/995050675.db2.gz VSLOBUUQDSHTIA-UONOGXRCSA-N -1 3 352.390 2.995 20 30 FFEDHM Cc1cc(=O)oc2cc(OCCOC(=O)c3cc([O-])cc(C#N)c3)ccc12 ZINC000811183903 995050909 /nfs/dbraw/zinc/05/09/09/995050909.db2.gz ALYNAAFTBVFUFO-UHFFFAOYSA-N -1 3 365.341 2.915 20 30 FFEDHM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187007 995052232 /nfs/dbraw/zinc/05/22/32/995052232.db2.gz GUTNENFYEYJKEJ-QWHCGFSZSA-N -1 3 368.389 2.695 20 30 FFEDHM C[C@@H]1CCCN(c2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)ccn2)C1 ZINC000813061183 995608330 /nfs/dbraw/zinc/60/83/30/995608330.db2.gz DLQXSBDQAUQRMK-GDBMZVCRSA-N -1 3 363.421 2.674 20 30 FFEDHM C=CCc1ccc(OCC(=O)Nc2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC001169572696 1000059682 /nfs/dbraw/zinc/05/96/82/1000059682.db2.gz JUEJAYDIEQDUIB-UHFFFAOYSA-N -1 3 365.393 2.621 20 30 FFEDHM C=CCc1ccc(OCC(=O)Nc2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC001169572696 1000059684 /nfs/dbraw/zinc/05/96/84/1000059684.db2.gz JUEJAYDIEQDUIB-UHFFFAOYSA-N -1 3 365.393 2.621 20 30 FFEDHM O=C(C=CC(=O)c1ccccc1)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001144704945 1000201186 /nfs/dbraw/zinc/20/11/86/1000201186.db2.gz GBDOQYYFJUBIIX-VAWYXSNFSA-N -1 3 360.373 2.608 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000846541709 1000345758 /nfs/dbraw/zinc/34/57/58/1000345758.db2.gz LHRQPDXLUOIPGT-CYBMUJFWSA-N -1 3 352.390 2.838 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000846549388 1000350234 /nfs/dbraw/zinc/35/02/34/1000350234.db2.gz JWVDZINZYQUCRH-CHWSQXEVSA-N -1 3 368.380 2.763 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc(OCC#N)cc1)[n-]c2=O ZINC000769812355 1000610039 /nfs/dbraw/zinc/61/00/39/1000610039.db2.gz NMBNYXSSEFWXCF-UHFFFAOYSA-N -1 3 365.397 2.635 20 30 FFEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276191198 1016499917 /nfs/dbraw/zinc/49/99/17/1016499917.db2.gz FJFNXAVXILGBTI-IBGZPJMESA-N -1 3 363.408 2.931 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2Cl)c(Br)n1 ZINC001184835381 1002731540 /nfs/dbraw/zinc/73/15/40/1002731540.db2.gz YVEKHJHCNWTOBQ-UHFFFAOYSA-N -1 3 373.619 2.565 20 30 FFEDHM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000792583068 1003072080 /nfs/dbraw/zinc/07/20/80/1003072080.db2.gz AOGNJCZEONLTGW-INIZCTEOSA-N -1 3 371.824 2.774 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(OCC2CC2)cn1 ZINC000793126436 1003278938 /nfs/dbraw/zinc/27/89/38/1003278938.db2.gz SJYVCBFJRHDTFQ-AWEZNQCLSA-N -1 3 370.796 2.880 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(C(=O)C(F)(F)F)cc1 ZINC001186573154 1003354848 /nfs/dbraw/zinc/35/48/48/1003354848.db2.gz JYWNEYVUWGMYHT-UHFFFAOYSA-N -1 3 351.284 2.871 20 30 FFEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cccc(OC(F)(F)F)c2C#N)o1 ZINC001129748421 1003761166 /nfs/dbraw/zinc/76/11/66/1003761166.db2.gz CIGKPCWUZBUMMP-UHFFFAOYSA-N -1 3 374.296 2.706 20 30 FFEDHM CC(C)C[C@@H](C#N)NC(=O)c1cc([O-])cc(I)c1 ZINC001196429068 1003774846 /nfs/dbraw/zinc/77/48/46/1003774846.db2.gz VSAXVMFMASSETL-NSHDSACASA-N -1 3 358.179 2.665 20 30 FFEDHM COc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196708204 1003921890 /nfs/dbraw/zinc/92/18/90/1003921890.db2.gz ZXZWDAQGVUQGMQ-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM Cc1cc(C#N)c(F)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001194981073 1004862578 /nfs/dbraw/zinc/86/25/78/1004862578.db2.gz CCEQLQISUPCFTB-UHFFFAOYSA-N -1 3 365.361 2.769 20 30 FFEDHM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1ccc(Cl)[n-]c1=O)CCO2 ZINC001195135540 1004900079 /nfs/dbraw/zinc/90/00/79/1004900079.db2.gz ZHELDLIBUHOVKP-FZKQIMNGSA-N -1 3 366.845 2.655 20 30 FFEDHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)cc1 ZINC001201217014 1005185749 /nfs/dbraw/zinc/18/57/49/1005185749.db2.gz WHWBPJPYJMLCPB-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776273401 1005340512 /nfs/dbraw/zinc/34/05/12/1005340512.db2.gz GANBCBMWOBUCNN-LBPRGKRZSA-N -1 3 352.346 2.650 20 30 FFEDHM CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000776275552 1005341552 /nfs/dbraw/zinc/34/15/52/1005341552.db2.gz TUXANMHUDGEOEX-GFCCVEGCSA-N -1 3 352.346 2.650 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001489694905 1005546824 /nfs/dbraw/zinc/54/68/24/1005546824.db2.gz ITWSNWUDJXKMGR-NUEKZKHPSA-N -1 3 369.469 2.717 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-]C1(C(=O)OC)Cc2ccccc2C1 ZINC001187992494 1006356289 /nfs/dbraw/zinc/35/62/89/1006356289.db2.gz MNCYBMMGUKXUQZ-UHFFFAOYSA-N -1 3 367.511 2.977 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-][C@H]1Oc2ccc(CCO)cc2O1 ZINC001188027192 1006385260 /nfs/dbraw/zinc/38/52/60/1006385260.db2.gz DKFTYHKOMHRPEN-KRWDZBQOSA-N -1 3 357.472 2.556 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@H]2CN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001188908777 1006797815 /nfs/dbraw/zinc/79/78/15/1006797815.db2.gz IMIQMFQXCCKCFI-UWWQBHOKSA-N -1 3 370.497 2.695 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nn(CC)nc2C)cc1 ZINC000815908084 1006823123 /nfs/dbraw/zinc/82/31/23/1006823123.db2.gz RYFPDMUZPOETIF-INIZCTEOSA-N -1 3 353.426 2.910 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000816754078 1007191644 /nfs/dbraw/zinc/19/16/44/1007191644.db2.gz WFBJJABKMMGTED-HNNXBMFYSA-N -1 3 364.323 2.881 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)n1 ZINC000884703913 1007513236 /nfs/dbraw/zinc/51/32/36/1007513236.db2.gz PAIUWNYUUJFAES-UHFFFAOYSA-N -1 3 363.343 2.708 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccnc2Br)c1 ZINC001190616542 1007703794 /nfs/dbraw/zinc/70/37/94/1007703794.db2.gz WKVMTLGXARHUAU-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000820477543 1008339695 /nfs/dbraw/zinc/33/96/95/1008339695.db2.gz ZZLUJEMBSCWXCE-OAHLLOKOSA-N -1 3 351.362 2.605 20 30 FFEDHM C=CCCCN(CC)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC001180032716 1009538031 /nfs/dbraw/zinc/53/80/31/1009538031.db2.gz OXQRTDUQUHGLMU-ZDUSSCGKSA-N -1 3 373.906 2.607 20 30 FFEDHM O=C(CN1c2ccccc2Sc2ccccc21)N[C@H]1CCCN([O-])C1=O ZINC000861826834 1009573884 /nfs/dbraw/zinc/57/38/84/1009573884.db2.gz AGJCVBOFGQGSNM-ZDUSSCGKSA-N -1 3 369.446 2.786 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1COCc1ccccc1 ZINC000861829321 1009575817 /nfs/dbraw/zinc/57/58/17/1009575817.db2.gz ZKKFZJOSLSNGKV-GOSISDBHSA-N -1 3 354.406 2.513 20 30 FFEDHM COc1ncc(C=CC([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cn1 ZINC000773952956 1010280395 /nfs/dbraw/zinc/28/03/95/1010280395.db2.gz CWFYSNBTOVJVES-ZPIQOJFGSA-N -1 3 360.373 2.880 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CC2CC2)c1 ZINC000870140577 1012189913 /nfs/dbraw/zinc/18/99/13/1012189913.db2.gz IEOQOVRQKBIZMD-HNNXBMFYSA-N -1 3 352.394 2.653 20 30 FFEDHM Cc1ccc(C(=O)/C=C/C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001137599038 1032669986 /nfs/dbraw/zinc/66/99/86/1032669986.db2.gz ZBNYLCJFKHACFU-PLSXKVAHSA-N -1 3 362.426 2.695 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)OCC)n[n-]2)cc1OC ZINC000777836345 1019655455 /nfs/dbraw/zinc/65/54/55/1019655455.db2.gz IVFZGFYNOXZNKR-VQHVLOKHSA-N -1 3 371.393 2.812 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)OCC)[n-]n2)cc1OC ZINC000777836345 1019655464 /nfs/dbraw/zinc/65/54/64/1019655464.db2.gz IVFZGFYNOXZNKR-VQHVLOKHSA-N -1 3 371.393 2.812 20 30 FFEDHM COCCOc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000802043323 1019669565 /nfs/dbraw/zinc/66/95/65/1019669565.db2.gz XFTUSWGNORLBER-CQSZACIVSA-N -1 3 373.796 2.721 20 30 FFEDHM C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000931290945 1020405563 /nfs/dbraw/zinc/40/55/63/1020405563.db2.gz IHDQKEDPRNLUOL-OAHLLOKOSA-N -1 3 353.426 2.701 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(C#N)cc2F)c([O-])c1 ZINC000726204562 1020433569 /nfs/dbraw/zinc/43/35/69/1020433569.db2.gz UUQCQWHVFXEIBL-UHFFFAOYSA-N -1 3 356.353 2.575 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(OC)c1 ZINC000726321419 1020453249 /nfs/dbraw/zinc/45/32/49/1020453249.db2.gz JPULLNUFXZCEFI-LBPRGKRZSA-N -1 3 369.333 2.573 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2n1 ZINC000900729269 1020616341 /nfs/dbraw/zinc/61/63/41/1020616341.db2.gz SMUUUZFZJHPOAX-UHFFFAOYSA-N -1 3 351.410 2.906 20 30 FFEDHM Cc1cc(N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@@H]3C2)c(C#N)cn1 ZINC001049220291 1020801216 /nfs/dbraw/zinc/80/12/16/1020801216.db2.gz CYENZLLMQRASJO-WBVHZDCISA-N -1 3 362.433 2.566 20 30 FFEDHM O=C1C=COC2(CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2)C1 ZINC000933648157 1021057082 /nfs/dbraw/zinc/05/70/82/1021057082.db2.gz SRCYTVCWOKXYAY-UHFFFAOYSA-N -1 3 351.406 2.687 20 30 FFEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC001117705683 1021828645 /nfs/dbraw/zinc/82/86/45/1021828645.db2.gz KUBDWMZVJVNFSN-UHFFFAOYSA-N -1 3 367.481 2.845 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1 ZINC000780309106 1022545466 /nfs/dbraw/zinc/54/54/66/1022545466.db2.gz HHICOFQAAPLZOZ-CYBMUJFWSA-N -1 3 371.780 2.873 20 30 FFEDHM Cc1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000778964633 1022588685 /nfs/dbraw/zinc/58/86/85/1022588685.db2.gz TWYWXJSYVVQACJ-UHFFFAOYSA-N -1 3 363.377 2.728 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cnc([C@H]3CCCO3)s2)ncc2c1COCC2 ZINC001119476230 1022796532 /nfs/dbraw/zinc/79/65/32/1022796532.db2.gz ZELRVQPFJFXEJA-CYBMUJFWSA-N -1 3 356.407 2.586 20 30 FFEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)nn1C ZINC001122415338 1023253618 /nfs/dbraw/zinc/25/36/18/1023253618.db2.gz SBNOELNBHJKYBX-GFCCVEGCSA-N -1 3 374.828 2.914 20 30 FFEDHM Cc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)c(OC[C@H]2CCOC2)c1 ZINC000755030782 1023557481 /nfs/dbraw/zinc/55/74/81/1023557481.db2.gz CZFPRWZKTXGSBW-CPHRPENTSA-N -1 3 370.449 2.931 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C ZINC001121607035 1023877504 /nfs/dbraw/zinc/87/75/04/1023877504.db2.gz HXISTOHEUAMVDA-LSDHHAIUSA-N -1 3 372.473 2.575 20 30 FFEDHM C=CC[C@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001124001821 1024215327 /nfs/dbraw/zinc/21/53/27/1024215327.db2.gz ZKALEWJARMQSFI-SJORKVTESA-N -1 3 352.438 2.545 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000079221093 1024222899 /nfs/dbraw/zinc/22/28/99/1024222899.db2.gz FXMJTDOUJNLXGM-QGZVFWFLSA-N -1 3 363.417 2.722 20 30 FFEDHM COc1cc(OC)c(C[C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c(OC)c1 ZINC000840706792 1027222611 /nfs/dbraw/zinc/22/26/11/1027222611.db2.gz KEQVUKBWBIZVBW-FZTAQKCPSA-N -1 3 374.437 2.664 20 30 FFEDHM N#Cc1c(Cl)nc(Cl)cc1C(F)(F)[N-]c1nc(O)nc2nc[nH]c21 ZINC001159192026 1027303435 /nfs/dbraw/zinc/30/34/35/1027303435.db2.gz HDALYEYDWPZLCF-UHFFFAOYSA-N -1 3 372.122 2.793 20 30 FFEDHM COc1ccccc1Oc1nc(Cl)ncc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160178324 1027626061 /nfs/dbraw/zinc/62/60/61/1027626061.db2.gz GJRSXIZKAUPUIX-ZANVPECISA-N -1 3 364.789 2.579 20 30 FFEDHM CSc1ccc(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)o1 ZINC001161802449 1028319409 /nfs/dbraw/zinc/31/94/09/1028319409.db2.gz WQIQVJXJYLUBIY-UHFFFAOYSA-N -1 3 360.391 2.519 20 30 FFEDHM O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N([O-])Cc1ccccc1Cl ZINC001161802475 1028320080 /nfs/dbraw/zinc/32/00/80/1028320080.db2.gz XRKVDYHSYNJCPB-OAHLLOKOSA-N -1 3 365.861 2.986 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)N[C@H](c3ncccc3F)C3CC3)cc(=O)c2c1 ZINC001154559761 1028354437 /nfs/dbraw/zinc/35/44/37/1028354437.db2.gz AFFIPUJTWBKAKU-SFHVURJKSA-N -1 3 362.364 2.815 20 30 FFEDHM C[C@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)c1nc2ccccc2[nH]1 ZINC001154558079 1028354713 /nfs/dbraw/zinc/35/47/13/1028354713.db2.gz WHAZBZJMTCYCFC-NSHDSACASA-N -1 3 357.373 2.767 20 30 FFEDHM COc1cccc2[nH]cc(CNC(=O)c3cc(=O)c4cc(C#N)ccc4[n-]3)c21 ZINC001154560162 1028355564 /nfs/dbraw/zinc/35/55/64/1028355564.db2.gz FZPJVBAVKGQSSF-UHFFFAOYSA-N -1 3 372.384 2.820 20 30 FFEDHM CCOC(=O)c1ncncc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163769074 1029054759 /nfs/dbraw/zinc/05/47/59/1029054759.db2.gz NTMDINTZDQKJGU-UHFFFAOYSA-N -1 3 370.287 2.800 20 30 FFEDHM COC(=O)COc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000782185856 1029601997 /nfs/dbraw/zinc/60/19/97/1029601997.db2.gz UNLHANHNMXKCMB-TWGQIWQCSA-N -1 3 372.373 2.857 20 30 FFEDHM O=C1c2ccccc2C(=O)C([N-]c2[nH+][n-]c(Cl)c3ncnc2-3)=C1Cl ZINC001158184937 1029751323 /nfs/dbraw/zinc/75/13/23/1029751323.db2.gz JPBPQJMGFSUVMX-UHFFFAOYSA-N -1 3 360.160 2.948 20 30 FFEDHM Cc1ccc(C(=O)NCC2CC2)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000783934474 1030350112 /nfs/dbraw/zinc/35/01/12/1030350112.db2.gz FYBSSHKHFWRWFG-UHFFFAOYSA-N -1 3 353.422 2.787 20 30 FFEDHM C=CCOC(=O)N1CCC2(CN(Cc3cc(F)c(F)cc3[O-])C2)CC1 ZINC001142508593 1030558081 /nfs/dbraw/zinc/55/80/81/1030558081.db2.gz DUKJAPUAIDDJJL-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H](O/C(=N\[O-])c2ccccn2)C1 ZINC001223977047 1033664371 /nfs/dbraw/zinc/66/43/71/1033664371.db2.gz FCCWAMKTOAFUOI-AZCQJRNUSA-N -1 3 353.394 2.972 20 30 FFEDHM Cc1cc(=O)c(C#N)c(OC[C@H]2CN([C@H](C)c3ccccc3)C(=O)O2)[n-]1 ZINC001225468791 1034265022 /nfs/dbraw/zinc/26/50/22/1034265022.db2.gz UUQGJIGBEULKJF-UKRRQHHQSA-N -1 3 353.378 2.928 20 30 FFEDHM CCOC(=O)[C@H]1C[C@H](Oc2[n-]c(C)cc(=O)c2C#N)c2ccccc2O1 ZINC001225468043 1034265712 /nfs/dbraw/zinc/26/57/12/1034265712.db2.gz IULPZQVMGAIUCS-DLBZAZTESA-N -1 3 354.362 2.802 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nccc(/C=N/[O-])n2)CC12CCC2 ZINC001226254564 1034595019 /nfs/dbraw/zinc/59/50/19/1034595019.db2.gz AFELOCAACIAXQN-PVGUKEHMSA-N -1 3 362.430 2.986 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1noc2cc(F)ccc12 ZINC001536052842 1069919514 /nfs/dbraw/zinc/91/95/14/1069919514.db2.gz YVHLTBIMWQCCDY-UHFFFAOYSA-N -1 3 368.368 2.805 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](Oc3cc(C#N)ccc3[O-])CO2)C1 ZINC001227344687 1035513631 /nfs/dbraw/zinc/51/36/31/1035513631.db2.gz CGGZMNGYYQXQDI-LIRRHRJNSA-N -1 3 360.410 2.811 20 30 FFEDHM CC(C)OC(=O)C1(C(=O)OC(C)C)CC(Oc2cc(C#N)ccc2[O-])C1 ZINC001227346106 1035513672 /nfs/dbraw/zinc/51/36/72/1035513672.db2.gz RQRGCQUGPFBTHG-UHFFFAOYSA-N -1 3 361.394 2.695 20 30 FFEDHM CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](Oc3cc(C#N)ccc3[O-])CC[C@@H]21 ZINC001227346965 1035515169 /nfs/dbraw/zinc/51/51/69/1035515169.db2.gz YIJOLUFPNFOQHU-QRTARXTBSA-N -1 3 360.410 2.810 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687456 1036256745 /nfs/dbraw/zinc/25/67/45/1036256745.db2.gz XFBSDLPFMFCXMQ-CYBMUJFWSA-N -1 3 365.386 2.948 20 30 FFEDHM COc1ccc(OC)c(CN2CCN(Cc3ccc(C#N)cc3[O-])CC2)c1 ZINC001233385761 1036589035 /nfs/dbraw/zinc/58/90/35/1036589035.db2.gz SOXIOBQSIZPUOX-UHFFFAOYSA-N -1 3 367.449 2.599 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2c(C)c([O-])cc(OC)c2C(C)=O)[C@H]2OC(C)(C)O[C@@H]12 ZINC001234793747 1037182684 /nfs/dbraw/zinc/18/26/84/1037182684.db2.gz VBOQPQASARCUFP-GYIHYUDTSA-N -1 3 364.394 2.722 20 30 FFEDHM C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3ccc(F)c([O-])c3F)C2)C1=O ZINC001277992135 1038168330 /nfs/dbraw/zinc/16/83/30/1038168330.db2.gz DLPHAZSIOGOAEB-LJQANCHMSA-N -1 3 364.392 2.588 20 30 FFEDHM N#Cc1ccnc(N2CCN(Cc3ccc(Br)c([O-])c3)CC2)c1 ZINC001236686885 1038192477 /nfs/dbraw/zinc/19/24/77/1038192477.db2.gz HLKRNZRPLDKJBU-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)F)c1)c1ccc(F)cc1 ZINC001259447813 1040014781 /nfs/dbraw/zinc/01/47/81/1040014781.db2.gz BGJMGYZXHQOBTL-CQSZACIVSA-N -1 3 356.325 2.970 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)cc1C ZINC001260638638 1040686178 /nfs/dbraw/zinc/68/61/78/1040686178.db2.gz URUFHMRMFMVTON-UHFFFAOYSA-N -1 3 359.447 2.927 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)OC ZINC001260902956 1040879437 /nfs/dbraw/zinc/87/94/37/1040879437.db2.gz VMHCCRNXUXAFIL-CQSZACIVSA-N -1 3 365.373 2.633 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC001262962841 1041992647 /nfs/dbraw/zinc/99/26/47/1041992647.db2.gz XQVJFJAXHAZIPO-GOSISDBHSA-N -1 3 355.373 2.900 20 30 FFEDHM Cn1ccnc1C(C#N)=C([O-])c1cn(C(C)(C)C)nc1Br ZINC001263332399 1042245409 /nfs/dbraw/zinc/24/54/09/1042245409.db2.gz OJCNKBYDORDVEI-SECBINFHSA-N -1 3 350.220 2.624 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ncc(C#N)cc3Cl)nc21 ZINC001539379478 1070626585 /nfs/dbraw/zinc/62/65/85/1070626585.db2.gz ITNHBTFRUNBOAP-UHFFFAOYSA-N -1 3 369.768 2.912 20 30 FFEDHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc1 ZINC001323495587 1045611483 /nfs/dbraw/zinc/61/14/83/1045611483.db2.gz GVKRFFOHIYTDGF-WCIBSUBMSA-N -1 3 372.402 2.576 20 30 FFEDHM CC(C)(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Oc1cc(F)cc(F)c1 ZINC001322068937 1045941278 /nfs/dbraw/zinc/94/12/78/1045941278.db2.gz GSDPYGCJPDSOEH-UHFFFAOYSA-N -1 3 366.389 2.861 20 30 FFEDHM C=C[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC001322684925 1046180462 /nfs/dbraw/zinc/18/04/62/1046180462.db2.gz DAHRCIMNUNVSFP-MRVPVSSYSA-N -1 3 354.653 2.582 20 30 FFEDHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1F ZINC001326873180 1047119550 /nfs/dbraw/zinc/11/95/50/1047119550.db2.gz ITKBBSBSLWDWHG-UHFFFAOYSA-N -1 3 366.345 2.618 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC001333712588 1049072779 /nfs/dbraw/zinc/07/27/79/1049072779.db2.gz AHPBZRLCWGLJEE-OAHLLOKOSA-N -1 3 357.454 2.674 20 30 FFEDHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC001294484960 1049755453 /nfs/dbraw/zinc/75/54/53/1049755453.db2.gz ACACGVGLBWWYCW-UHFFFAOYSA-N -1 3 361.357 2.549 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297610808 1050243115 /nfs/dbraw/zinc/24/31/15/1050243115.db2.gz RUZRMRNFKFLMDY-WDEREUQCSA-N -1 3 372.812 2.705 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001341739317 1050356844 /nfs/dbraw/zinc/35/68/44/1050356844.db2.gz JADUOHBQCFWBGD-LJQANCHMSA-N -1 3 372.473 2.721 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccn1-c1c(Cl)cccc1Cl ZINC001298542936 1050470647 /nfs/dbraw/zinc/47/06/47/1050470647.db2.gz GVDZBGZFVPYMDJ-GFCCVEGCSA-N -1 3 368.220 2.894 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cncc(OCC(F)F)c2)c1 ZINC001341898465 1050500338 /nfs/dbraw/zinc/50/03/38/1050500338.db2.gz KLYOYLYUAPQNAO-OAHLLOKOSA-N -1 3 359.332 2.995 20 30 FFEDHM C=CCC[C@H]1CCCN1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001340122044 1050526405 /nfs/dbraw/zinc/52/64/05/1050526405.db2.gz NIDVIHPUHGLONB-ZDUSSCGKSA-N -1 3 369.462 2.837 20 30 FFEDHM C#CC[C@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2Cc2ccccc2)C1 ZINC001340591867 1050977495 /nfs/dbraw/zinc/97/74/95/1050977495.db2.gz AMUFQPYINMBCIN-INIZCTEOSA-N -1 3 374.448 2.729 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CCc2ccccc2)C1 ZINC001340810916 1051155272 /nfs/dbraw/zinc/15/52/72/1051155272.db2.gz JBRLBMMIBSFXMV-MRXNPFEDSA-N -1 3 374.448 2.533 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)C[C@]12CCC[C@H]1OCC2 ZINC001342852973 1051460412 /nfs/dbraw/zinc/46/04/12/1051460412.db2.gz NFFJPEHOQBRIBA-RDTXWAMCSA-N -1 3 359.430 2.610 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CC)c1[O-] ZINC001341310155 1051665470 /nfs/dbraw/zinc/66/54/70/1051665470.db2.gz MCYMNLBARPPHCO-UHFFFAOYSA-N -1 3 356.470 2.998 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001343287692 1052136914 /nfs/dbraw/zinc/13/69/14/1052136914.db2.gz KYRWGCSHWMEKJH-NSHDSACASA-N -1 3 364.400 2.949 20 30 FFEDHM CCCCN([O-])C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O ZINC001306897322 1052214834 /nfs/dbraw/zinc/21/48/34/1052214834.db2.gz IDWMGLSUGRKEPC-UHFFFAOYSA-N -1 3 367.490 2.921 20 30 FFEDHM O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N([O-])CCCCc1ccccc1 ZINC001306896388 1052215285 /nfs/dbraw/zinc/21/52/85/1052215285.db2.gz VNDYYRAJCHTNCE-GOSISDBHSA-N -1 3 367.449 2.671 20 30 FFEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(F)n1 ZINC001344587463 1052847069 /nfs/dbraw/zinc/84/70/69/1052847069.db2.gz RFTHPJLPFBCKFP-LLVKDONJSA-N -1 3 354.309 2.707 20 30 FFEDHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC(F)(F)C1 ZINC001351647324 1054936629 /nfs/dbraw/zinc/93/66/29/1054936629.db2.gz NZJKLNCJRHJEFB-UHFFFAOYSA-N -1 3 372.379 2.868 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001351790528 1055002130 /nfs/dbraw/zinc/00/21/30/1055002130.db2.gz TYSJUXAHPNAMDC-BXUZGUMPSA-N -1 3 373.438 2.853 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@]4(CCOC4)C3)n2C)c1[O-] ZINC001338675548 1055720964 /nfs/dbraw/zinc/72/09/64/1055720964.db2.gz LZMUJYVHKSVTMP-FQEVSTJZSA-N -1 3 354.454 2.923 20 30 FFEDHM C=CCN(CCOC)c1nnc(CCc2cccc(Cl)c2[O-])n1C ZINC001350329864 1055728308 /nfs/dbraw/zinc/72/83/08/1055728308.db2.gz RBABCDIPIVDRFX-UHFFFAOYSA-N -1 3 350.850 2.598 20 30 FFEDHM C#CCC1(C(=O)N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CCCCC1 ZINC001352805687 1055807924 /nfs/dbraw/zinc/80/79/24/1055807924.db2.gz FUXFBWKPWRYLAQ-INIZCTEOSA-N -1 3 356.470 2.549 20 30 FFEDHM CO[C@@](C)(C/N=C/c1c([O-])c(C)ncc1CO)COCc1ccccc1 ZINC000849170715 1056788508 /nfs/dbraw/zinc/78/85/08/1056788508.db2.gz SYJTZCLZBSHGDA-KQBANSRISA-N -1 3 358.438 2.629 20 30 FFEDHM C#CCOc1ccccc1CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001444151472 1058275135 /nfs/dbraw/zinc/27/51/35/1058275135.db2.gz FUZVYSFHQKBNKB-UHFFFAOYSA-N -1 3 368.339 2.748 20 30 FFEDHM C=CCN(C)CCN(CC)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001448881107 1058832887 /nfs/dbraw/zinc/83/28/87/1058832887.db2.gz GMFMKOXCJHEDNL-UHFFFAOYSA-N -1 3 362.861 2.811 20 30 FFEDHM CC(C)COc1ccc(C2(C(=O)N[C@@H]3CCCN([O-])C3=O)CCC2)cc1 ZINC000848139431 1059116013 /nfs/dbraw/zinc/11/60/13/1059116013.db2.gz VZZUHICPSVPJTI-QGZVFWFLSA-N -1 3 360.454 2.640 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)nc2OC)cc1 ZINC001515358375 1059609568 /nfs/dbraw/zinc/60/95/68/1059609568.db2.gz KVLKSEUEMBDTDL-HNNXBMFYSA-N -1 3 354.410 2.732 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)C(=O)C=Cc3ccc(F)cc3)nc21 ZINC001546065181 1059624479 /nfs/dbraw/zinc/62/44/79/1059624479.db2.gz HFNDJFUNDJNUJH-YFHOEESVSA-N -1 3 367.336 2.710 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(F)(F)CC1 ZINC001520483129 1059721188 /nfs/dbraw/zinc/72/11/88/1059721188.db2.gz CPUNWOFCWHCZLI-UHFFFAOYSA-N -1 3 372.383 2.547 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(F)(F)CC1 ZINC001520483129 1059721205 /nfs/dbraw/zinc/72/12/05/1059721205.db2.gz CPUNWOFCWHCZLI-UHFFFAOYSA-N -1 3 372.383 2.547 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](NC(C)=O)C3)n2CC)c1[O-] ZINC001521111536 1060399269 /nfs/dbraw/zinc/39/92/69/1060399269.db2.gz IPIFLEJZHAHMNJ-INIZCTEOSA-N -1 3 369.469 2.504 20 30 FFEDHM Cn1[n-]c(=O)c2c1CN(c1c(C#N)cnc3c(F)c(F)c(F)cc31)CC2 ZINC001458537533 1060615259 /nfs/dbraw/zinc/61/52/59/1060615259.db2.gz BGRYTBBJYYUIOK-UHFFFAOYSA-N -1 3 359.311 2.526 20 30 FFEDHM CC#CCCCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001521530208 1060937847 /nfs/dbraw/zinc/93/78/47/1060937847.db2.gz KLNBXZYTXXAXJG-IERDGZPVSA-N -1 3 354.450 2.506 20 30 FFEDHM C[C@@H](Oc1cccnc1NC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC001476450312 1061414719 /nfs/dbraw/zinc/41/47/19/1061414719.db2.gz QDKLLOFHNHYPMI-UKRRQHHQSA-N -1 3 370.409 2.723 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])OCC ZINC001522157209 1061637268 /nfs/dbraw/zinc/63/72/68/1061637268.db2.gz CZBXPFOQCVIRDZ-QSOKESPWSA-N -1 3 372.465 2.625 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nn1 ZINC001464228618 1062493630 /nfs/dbraw/zinc/49/36/30/1062493630.db2.gz MXEYPWYHPPHPBD-UHFFFAOYSA-N -1 3 361.254 2.640 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C2 ZINC001464327842 1062549459 /nfs/dbraw/zinc/54/94/59/1062549459.db2.gz MNZOORRSOMMHSO-CQSZACIVSA-N -1 3 350.802 2.796 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(C(F)(F)F)cc1 ZINC001464718367 1062780900 /nfs/dbraw/zinc/78/09/00/1062780900.db2.gz IYTYFHFOQLBOCD-CYBMUJFWSA-N -1 3 365.373 2.805 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCc2ccccc2NC1=O ZINC001469664855 1064188244 /nfs/dbraw/zinc/18/82/44/1064188244.db2.gz KTZWGUWVKYOFQT-INIZCTEOSA-N -1 3 355.344 2.720 20 30 FFEDHM COc1ccc(-c2noc(CCC(=O)[N-]Oc3cccc(C#N)c3)n2)cc1 ZINC001471086425 1064553674 /nfs/dbraw/zinc/55/36/74/1064553674.db2.gz UMIQVVKGURDWAC-UHFFFAOYSA-N -1 3 364.361 2.660 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1 ZINC001575190888 1078115242 /nfs/dbraw/zinc/11/52/42/1078115242.db2.gz UIBLZEWWJPLAGA-SNVBAGLBSA-N -1 3 367.800 2.604 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1 ZINC001575190888 1078115243 /nfs/dbraw/zinc/11/52/43/1078115243.db2.gz UIBLZEWWJPLAGA-SNVBAGLBSA-N -1 3 367.800 2.604 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1 ZINC001472621218 1065112366 /nfs/dbraw/zinc/11/23/66/1065112366.db2.gz LPWVZYULTQXWBE-KRWDZBQOSA-N -1 3 350.415 2.995 20 30 FFEDHM N#Cc1ccc(O[C@@H]2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)C2)nc1 ZINC001473513087 1065275881 /nfs/dbraw/zinc/27/58/81/1065275881.db2.gz MJGDXOYQOYNFJT-GOSISDBHSA-N -1 3 373.416 2.769 20 30 FFEDHM CCCCCCCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001577504910 1078370326 /nfs/dbraw/zinc/37/03/26/1078370326.db2.gz GRDGFOXNSAHNEX-UHFFFAOYSA-N -1 3 357.867 2.769 20 30 FFEDHM CCCCCCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001577504910 1078370331 /nfs/dbraw/zinc/37/03/31/1078370331.db2.gz GRDGFOXNSAHNEX-UHFFFAOYSA-N -1 3 357.867 2.769 20 30 FFEDHM CCCCCCCS(=O)(=O)Oc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001577505978 1078371324 /nfs/dbraw/zinc/37/13/24/1078371324.db2.gz QHGSOZJFLJRTDD-UHFFFAOYSA-N -1 3 354.432 2.554 20 30 FFEDHM CCCCCCCS(=O)(=O)Oc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001577505978 1078371328 /nfs/dbraw/zinc/37/13/28/1078371328.db2.gz QHGSOZJFLJRTDD-UHFFFAOYSA-N -1 3 354.432 2.554 20 30 FFEDHM Cc1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C#N ZINC001581200200 1078934636 /nfs/dbraw/zinc/93/46/36/1078934636.db2.gz AEDVRBOQSMGFDW-UHFFFAOYSA-N -1 3 353.317 2.706 20 30 FFEDHM Cc1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C#N ZINC001581200200 1078934641 /nfs/dbraw/zinc/93/46/41/1078934641.db2.gz AEDVRBOQSMGFDW-UHFFFAOYSA-N -1 3 353.317 2.706 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)nc(C3CC3)c2)ccc1-c1nnn[n-]1 ZINC001581866568 1079010137 /nfs/dbraw/zinc/01/01/37/1079010137.db2.gz JZQIRNYEWRMKRK-UHFFFAOYSA-N -1 3 365.784 2.916 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)nc(C3CC3)c2)ccc1-c1nn[n-]n1 ZINC001581866568 1079010145 /nfs/dbraw/zinc/01/01/45/1079010145.db2.gz JZQIRNYEWRMKRK-UHFFFAOYSA-N -1 3 365.784 2.916 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)o1 ZINC001581870745 1079010161 /nfs/dbraw/zinc/01/01/61/1079010161.db2.gz QIGMERGBFAXVRL-UHFFFAOYSA-N -1 3 360.333 2.771 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)o1 ZINC001581870745 1079010167 /nfs/dbraw/zinc/01/01/67/1079010167.db2.gz QIGMERGBFAXVRL-UHFFFAOYSA-N -1 3 360.333 2.771 20 30 FFEDHM N#Cc1cccc(Sc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1Cl ZINC001581875638 1079011813 /nfs/dbraw/zinc/01/18/13/1079011813.db2.gz JBGFFYODZJEAHS-UHFFFAOYSA-N -1 3 359.758 2.846 20 30 FFEDHM N#Cc1cccc(Sc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1Cl ZINC001581875638 1079011817 /nfs/dbraw/zinc/01/18/17/1079011817.db2.gz JBGFFYODZJEAHS-UHFFFAOYSA-N -1 3 359.758 2.846 20 30 FFEDHM Cn1nccc1[C@@H]1[C@H](/N=C/c2cc(Cl)ccc2[O-])CC(=O)N1C1CC1 ZINC001548533200 1073434593 /nfs/dbraw/zinc/43/45/93/1073434593.db2.gz OCZUEBVVRGCDIW-VBZSBEMESA-N -1 3 358.829 2.703 20 30 FFEDHM COc1ncc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1C#N ZINC001558286244 1075972154 /nfs/dbraw/zinc/97/21/54/1075972154.db2.gz XZSKNIDUMJNVTG-UHFFFAOYSA-N -1 3 352.325 2.503 20 30 FFEDHM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001559036943 1076118287 /nfs/dbraw/zinc/11/82/87/1076118287.db2.gz CEQRVLYZIPFRBN-GOSISDBHSA-N -1 3 372.396 2.857 20 30 FFEDHM CCOc1ccc(N2C[C@@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC001559036279 1076118360 /nfs/dbraw/zinc/11/83/60/1076118360.db2.gz BHKBDMKSZBUHGD-HNNXBMFYSA-N -1 3 372.396 2.995 20 30 FFEDHM O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001559033261 1076118398 /nfs/dbraw/zinc/11/83/98/1076118398.db2.gz CFPUBFPUAHCRTR-GRDNDAEWSA-N -1 3 356.422 2.717 20 30 FFEDHM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001573350620 1077678416 /nfs/dbraw/zinc/67/84/16/1077678416.db2.gz KTZPERBBBSWJBD-AWEZNQCLSA-N -1 3 371.359 2.884 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001573362269 1077683151 /nfs/dbraw/zinc/68/31/51/1077683151.db2.gz CUBNCBUTTURRQF-WKPIXPDZSA-N -1 3 361.829 2.581 20 30 FFEDHM CC#CCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001573939830 1077854209 /nfs/dbraw/zinc/85/42/09/1077854209.db2.gz BIBATUCCZOUJPV-IAGOWNOFSA-N -1 3 356.466 2.800 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001574281403 1077947477 /nfs/dbraw/zinc/94/74/77/1077947477.db2.gz HGAPNXQXQRBPOU-UHFFFAOYSA-N -1 3 364.384 2.928 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001574281403 1077947478 /nfs/dbraw/zinc/94/74/78/1077947478.db2.gz HGAPNXQXQRBPOU-UHFFFAOYSA-N -1 3 364.384 2.928 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588325557 1079983139 /nfs/dbraw/zinc/98/31/39/1079983139.db2.gz ONNVLYOMXKIISC-SWLSCSKDSA-N -1 3 366.347 2.571 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588325557 1079983142 /nfs/dbraw/zinc/98/31/42/1079983142.db2.gz ONNVLYOMXKIISC-SWLSCSKDSA-N -1 3 366.347 2.571 20 30 FFEDHM C#C[C@H](NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329631 1079985725 /nfs/dbraw/zinc/98/57/25/1079985725.db2.gz KGCGJXNNSNECTE-KRWDZBQOSA-N -1 3 360.421 2.776 20 30 FFEDHM C#C[C@H](NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329631 1079985729 /nfs/dbraw/zinc/98/57/29/1079985729.db2.gz KGCGJXNNSNECTE-KRWDZBQOSA-N -1 3 360.421 2.776 20 30 FFEDHM C#C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001588329886 1079986183 /nfs/dbraw/zinc/98/61/83/1079986183.db2.gz QANRBWSOVTZAJC-SJCJKPOMSA-N -1 3 364.384 2.741 20 30 FFEDHM C#C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001588329886 1079986189 /nfs/dbraw/zinc/98/61/89/1079986189.db2.gz QANRBWSOVTZAJC-SJCJKPOMSA-N -1 3 364.384 2.741 20 30 FFEDHM C#C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588331884 1079987800 /nfs/dbraw/zinc/98/78/00/1079987800.db2.gz DTBNRQMHYCQPCX-NSHDSACASA-N -1 3 364.331 2.905 20 30 FFEDHM C#C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588331884 1079987803 /nfs/dbraw/zinc/98/78/03/1079987803.db2.gz DTBNRQMHYCQPCX-NSHDSACASA-N -1 3 364.331 2.905 20 30 FFEDHM C#CC[C@@H](NC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)c1ccccc1 ZINC001588333649 1079987839 /nfs/dbraw/zinc/98/78/39/1079987839.db2.gz AKSIZUKRVCTRJI-QGZVFWFLSA-N -1 3 356.389 2.842 20 30 FFEDHM C#CC[C@@H](NC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)c1ccccc1 ZINC001588333649 1079987841 /nfs/dbraw/zinc/98/78/41/1079987841.db2.gz AKSIZUKRVCTRJI-QGZVFWFLSA-N -1 3 356.389 2.842 20 30 FFEDHM C#CC[C@@H](NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001588334310 1079989347 /nfs/dbraw/zinc/98/93/47/1079989347.db2.gz SQCPIRJGYDDYPA-LJQANCHMSA-N -1 3 359.433 2.907 20 30 FFEDHM C#CC[C@@H](NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001588334310 1079989351 /nfs/dbraw/zinc/98/93/51/1079989351.db2.gz SQCPIRJGYDDYPA-LJQANCHMSA-N -1 3 359.433 2.907 20 30 FFEDHM C#CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1C)[C@H]1CCCc2ccccc21 ZINC001588348604 1079992012 /nfs/dbraw/zinc/99/20/12/1079992012.db2.gz DDHWQMHMJBMNFK-SFHVURJKSA-N -1 3 372.432 2.723 20 30 FFEDHM C#CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1C)[C@H]1CCCc2ccccc21 ZINC001588348604 1079992018 /nfs/dbraw/zinc/99/20/18/1079992018.db2.gz DDHWQMHMJBMNFK-SFHVURJKSA-N -1 3 372.432 2.723 20 30 FFEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001588350695 1079992354 /nfs/dbraw/zinc/99/23/54/1079992354.db2.gz LSYMFWZGPOSULO-SFHVURJKSA-N -1 3 374.404 2.898 20 30 FFEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001588350695 1079992360 /nfs/dbraw/zinc/99/23/60/1079992360.db2.gz LSYMFWZGPOSULO-SFHVURJKSA-N -1 3 374.404 2.898 20 30 FFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001588362641 1079993984 /nfs/dbraw/zinc/99/39/84/1079993984.db2.gz NCSIHVPZYLVBDM-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001588362641 1079993989 /nfs/dbraw/zinc/99/39/89/1079993989.db2.gz NCSIHVPZYLVBDM-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM C#Cc1ccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC001588373192 1079996010 /nfs/dbraw/zinc/99/60/10/1079996010.db2.gz DFFKEVLKVBLFGC-SFHVURJKSA-N -1 3 361.405 2.890 20 30 FFEDHM C#Cc1ccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC001588373192 1079996015 /nfs/dbraw/zinc/99/60/15/1079996015.db2.gz DFFKEVLKVBLFGC-SFHVURJKSA-N -1 3 361.405 2.890 20 30 FFEDHM C#Cc1ccc(NC(=O)c2cnc(C(F)(F)F)c(-c3nnn[n-]3)c2)cc1 ZINC001588374595 1079997624 /nfs/dbraw/zinc/99/76/24/1079997624.db2.gz CFOSOFUHXUKGBH-UHFFFAOYSA-N -1 3 358.283 2.514 20 30 FFEDHM C#Cc1ccccc1CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588375412 1079997980 /nfs/dbraw/zinc/99/79/80/1079997980.db2.gz UWKLJCCYDHEJAH-UHFFFAOYSA-N -1 3 357.417 2.582 20 30 FFEDHM C#Cc1ccccc1CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588375412 1079997987 /nfs/dbraw/zinc/99/79/87/1079997987.db2.gz UWKLJCCYDHEJAH-UHFFFAOYSA-N -1 3 357.417 2.582 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588391443 1080002616 /nfs/dbraw/zinc/00/26/16/1080002616.db2.gz LHEMRGOFVKLQIN-MRXNPFEDSA-N -1 3 354.458 2.506 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588391443 1080002626 /nfs/dbraw/zinc/00/26/26/1080002626.db2.gz LHEMRGOFVKLQIN-MRXNPFEDSA-N -1 3 354.458 2.506 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588400684 1080009839 /nfs/dbraw/zinc/00/98/39/1080009839.db2.gz DOPPKUNIVSKFHL-XYPHTWIQSA-N -1 3 370.457 2.550 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588400684 1080009846 /nfs/dbraw/zinc/00/98/46/1080009846.db2.gz DOPPKUNIVSKFHL-XYPHTWIQSA-N -1 3 370.457 2.550 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001588415532 1080018357 /nfs/dbraw/zinc/01/83/57/1080018357.db2.gz NHPGICDPIBPNHQ-HNNXBMFYSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001588415532 1080018365 /nfs/dbraw/zinc/01/83/65/1080018365.db2.gz NHPGICDPIBPNHQ-HNNXBMFYSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001588449785 1080031725 /nfs/dbraw/zinc/03/17/25/1080031725.db2.gz SGEXMXYAIMXSIY-UHFFFAOYSA-N -1 3 353.426 2.593 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001588449785 1080031736 /nfs/dbraw/zinc/03/17/36/1080031736.db2.gz SGEXMXYAIMXSIY-UHFFFAOYSA-N -1 3 353.426 2.593 20 30 FFEDHM C=C1CCC(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC001588461833 1080035637 /nfs/dbraw/zinc/03/56/37/1080035637.db2.gz UXQPYTSLDBYMEJ-UHFFFAOYSA-N -1 3 367.453 2.983 20 30 FFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H](CC)C1 ZINC001588469161 1080039187 /nfs/dbraw/zinc/03/91/87/1080039187.db2.gz XFYOHRCOSCSPIX-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H](CC)C1 ZINC001588469161 1080039192 /nfs/dbraw/zinc/03/91/92/1080039192.db2.gz XFYOHRCOSCSPIX-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588475235 1080043381 /nfs/dbraw/zinc/04/33/81/1080043381.db2.gz KOAQCRCGBLXKLT-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588475235 1080043391 /nfs/dbraw/zinc/04/33/91/1080043391.db2.gz KOAQCRCGBLXKLT-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)Cc1nnc(N2Cc3cccc(-c4nnn[n-]4)c3C2)n1CC ZINC001588489027 1080052163 /nfs/dbraw/zinc/05/21/63/1080052163.db2.gz UZXCQPULCPXWMX-UHFFFAOYSA-N -1 3 364.457 2.753 20 30 FFEDHM C=CC(C)(C)Cc1nnc(N2Cc3cccc(-c4nn[n-]n4)c3C2)n1CC ZINC001588489027 1080052171 /nfs/dbraw/zinc/05/21/71/1080052171.db2.gz UZXCQPULCPXWMX-UHFFFAOYSA-N -1 3 364.457 2.753 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588492580 1080053461 /nfs/dbraw/zinc/05/34/61/1080053461.db2.gz UMHHOKPOXPJURA-OALUTQOASA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588492580 1080053471 /nfs/dbraw/zinc/05/34/71/1080053471.db2.gz UMHHOKPOXPJURA-OALUTQOASA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588494009 1080055396 /nfs/dbraw/zinc/05/53/96/1080055396.db2.gz NTANSRRKJIADJD-GOSISDBHSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588494009 1080055404 /nfs/dbraw/zinc/05/54/04/1080055404.db2.gz NTANSRRKJIADJD-GOSISDBHSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588497227 1080059762 /nfs/dbraw/zinc/05/97/62/1080059762.db2.gz YBOOBLXRIPXVCV-HXUWFJFHSA-N -1 3 369.469 2.802 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588497227 1080059774 /nfs/dbraw/zinc/05/97/74/1080059774.db2.gz YBOOBLXRIPXVCV-HXUWFJFHSA-N -1 3 369.469 2.802 20 30 FFEDHM C=C[C@@](C)(O)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588507605 1080062436 /nfs/dbraw/zinc/06/24/36/1080062436.db2.gz JHAYPLVQNUMGLC-LJQANCHMSA-N -1 3 365.393 2.925 20 30 FFEDHM C=C[C@@](C)(O)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588507605 1080062443 /nfs/dbraw/zinc/06/24/43/1080062443.db2.gz JHAYPLVQNUMGLC-LJQANCHMSA-N -1 3 365.393 2.925 20 30 FFEDHM C=C[C@@H](CC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588518904 1080070300 /nfs/dbraw/zinc/07/03/00/1080070300.db2.gz NPRAWPSLBRJINC-LIRRHRJNSA-N -1 3 359.433 2.810 20 30 FFEDHM C=C[C@@H](CC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588518904 1080070309 /nfs/dbraw/zinc/07/03/09/1080070309.db2.gz NPRAWPSLBRJINC-LIRRHRJNSA-N -1 3 359.433 2.810 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588519181 1080071090 /nfs/dbraw/zinc/07/10/90/1080071090.db2.gz UYISHPQMJFDVJU-AUUYWEPGSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588519181 1080071098 /nfs/dbraw/zinc/07/10/98/1080071098.db2.gz UYISHPQMJFDVJU-AUUYWEPGSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588519182 1080071323 /nfs/dbraw/zinc/07/13/23/1080071323.db2.gz UYISHPQMJFDVJU-IFXJQAMLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588519182 1080071331 /nfs/dbraw/zinc/07/13/31/1080071331.db2.gz UYISHPQMJFDVJU-IFXJQAMLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC1CCC(Oc2ncccc2-c2nnn[n-]2)CC1 ZINC001588521580 1080075242 /nfs/dbraw/zinc/07/52/42/1080075242.db2.gz PSPNBEOAEDVGCN-WLYUNCDWSA-N -1 3 370.457 2.670 20 30 FFEDHM C=C[C@H](COC)NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588526488 1080078238 /nfs/dbraw/zinc/07/82/38/1080078238.db2.gz XEDDVBVFTCEZOZ-SECBINFHSA-N -1 3 350.448 2.548 20 30 FFEDHM C=C[C@H](COC)NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588526488 1080078244 /nfs/dbraw/zinc/07/82/44/1080078244.db2.gz XEDDVBVFTCEZOZ-SECBINFHSA-N -1 3 350.448 2.548 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588525155 1080078902 /nfs/dbraw/zinc/07/89/02/1080078902.db2.gz WOUHVERZTXSNEU-RBSFLKMASA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588525155 1080078911 /nfs/dbraw/zinc/07/89/11/1080078911.db2.gz WOUHVERZTXSNEU-RBSFLKMASA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588532777 1080081251 /nfs/dbraw/zinc/08/12/51/1080081251.db2.gz FNKFBACBTMPIHN-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588532777 1080081254 /nfs/dbraw/zinc/08/12/54/1080081254.db2.gz FNKFBACBTMPIHN-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588532776 1080082271 /nfs/dbraw/zinc/08/22/71/1080082271.db2.gz FNKFBACBTMPIHN-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588532776 1080082279 /nfs/dbraw/zinc/08/22/79/1080082279.db2.gz FNKFBACBTMPIHN-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CCC(CC=C)C(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588544842 1080088839 /nfs/dbraw/zinc/08/88/39/1080088839.db2.gz WSMFAAJLOSHEAZ-GFCCVEGCSA-N -1 3 358.421 2.691 20 30 FFEDHM C=CCC(CC=C)C(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588544842 1080088848 /nfs/dbraw/zinc/08/88/48/1080088848.db2.gz WSMFAAJLOSHEAZ-GFCCVEGCSA-N -1 3 358.421 2.691 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588552395 1080092518 /nfs/dbraw/zinc/09/25/18/1080092518.db2.gz VSFHYKBGHCPTFH-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588552395 1080092530 /nfs/dbraw/zinc/09/25/30/1080092530.db2.gz VSFHYKBGHCPTFH-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NCCNc2ccc(-c3nnn[n-]3)c(C)n2)CCCCC1 ZINC001588552992 1080093077 /nfs/dbraw/zinc/09/30/77/1080093077.db2.gz IGQDJOPVEFGADU-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=CCC1(C(=O)NCCNc2ccc(-c3nn[n-]n3)c(C)n2)CCCCC1 ZINC001588552992 1080093083 /nfs/dbraw/zinc/09/30/83/1080093083.db2.gz IGQDJOPVEFGADU-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=CCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001588556785 1080095304 /nfs/dbraw/zinc/09/53/04/1080095304.db2.gz SQDWIFRNBXUSHU-UHFFFAOYSA-N -1 3 371.441 2.965 20 30 FFEDHM C=CCC1(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCOCC1 ZINC001588556785 1080095310 /nfs/dbraw/zinc/09/53/10/1080095310.db2.gz SQDWIFRNBXUSHU-UHFFFAOYSA-N -1 3 371.441 2.965 20 30 FFEDHM C=CCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001588578580 1080106527 /nfs/dbraw/zinc/10/65/27/1080106527.db2.gz BNNYYYYVRQJWQW-QGZVFWFLSA-N -1 3 363.425 2.768 20 30 FFEDHM C=CCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001588578580 1080106533 /nfs/dbraw/zinc/10/65/33/1080106533.db2.gz BNNYYYYVRQJWQW-QGZVFWFLSA-N -1 3 363.425 2.768 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001588582221 1080108624 /nfs/dbraw/zinc/10/86/24/1080108624.db2.gz HXBAVZIWXSTPQN-QWHCGFSZSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001588582221 1080108626 /nfs/dbraw/zinc/10/86/26/1080108626.db2.gz HXBAVZIWXSTPQN-QWHCGFSZSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588586854 1080110312 /nfs/dbraw/zinc/11/03/12/1080110312.db2.gz OEJXHNIXNSTIQG-GJZGRUSLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588586854 1080110314 /nfs/dbraw/zinc/11/03/14/1080110314.db2.gz OEJXHNIXNSTIQG-GJZGRUSLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588588256 1080111229 /nfs/dbraw/zinc/11/12/29/1080111229.db2.gz ICQHAPTVFMSDKN-HNNXBMFYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588588256 1080111234 /nfs/dbraw/zinc/11/12/34/1080111234.db2.gz ICQHAPTVFMSDKN-HNNXBMFYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001588588772 1080112750 /nfs/dbraw/zinc/11/27/50/1080112750.db2.gz ZEYSBKPNOWXVJC-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001588588772 1080112756 /nfs/dbraw/zinc/11/27/56/1080112756.db2.gz ZEYSBKPNOWXVJC-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCCCN(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588593818 1080115516 /nfs/dbraw/zinc/11/55/16/1080115516.db2.gz JKJTZHPQAGRWBX-UHFFFAOYSA-N -1 3 358.446 2.763 20 30 FFEDHM C=CCCCCCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588593818 1080115518 /nfs/dbraw/zinc/11/55/18/1080115518.db2.gz JKJTZHPQAGRWBX-UHFFFAOYSA-N -1 3 358.446 2.763 20 30 FFEDHM C=CCCC[C@@H]1NC(=O)N([C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1=O ZINC001588594533 1080117199 /nfs/dbraw/zinc/11/71/99/1080117199.db2.gz VSHMVPXPGLEGIC-HOTGVXAUSA-N -1 3 366.425 2.521 20 30 FFEDHM C=CCCC[C@@H]1NC(=O)N([C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1=O ZINC001588594533 1080117204 /nfs/dbraw/zinc/11/72/04/1080117204.db2.gz VSHMVPXPGLEGIC-HOTGVXAUSA-N -1 3 366.425 2.521 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC001588611671 1080121532 /nfs/dbraw/zinc/12/15/32/1080121532.db2.gz VQJQOHSHWYUKSZ-SNVBAGLBSA-N -1 3 366.805 2.805 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC001588611671 1080121536 /nfs/dbraw/zinc/12/15/36/1080121536.db2.gz VQJQOHSHWYUKSZ-SNVBAGLBSA-N -1 3 366.805 2.805 20 30 FFEDHM C=CCOCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588688874 1080154536 /nfs/dbraw/zinc/15/45/36/1080154536.db2.gz BQRPSJFPWOTFIC-UHFFFAOYSA-N -1 3 365.393 2.970 20 30 FFEDHM C=CCSCCNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001588695263 1080159201 /nfs/dbraw/zinc/15/92/01/1080159201.db2.gz SBPHFRGDEBXMSU-UHFFFAOYSA-N -1 3 366.372 2.585 20 30 FFEDHM C=CCSCCNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001588695263 1080159204 /nfs/dbraw/zinc/15/92/04/1080159204.db2.gz SBPHFRGDEBXMSU-UHFFFAOYSA-N -1 3 366.372 2.585 20 30 FFEDHM C=CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)c(OC)c1 ZINC001588694166 1080159778 /nfs/dbraw/zinc/15/97/78/1080159778.db2.gz DQAVQDMDRDQXGS-UHFFFAOYSA-N -1 3 371.784 2.871 20 30 FFEDHM C=CCn1c(C)nnc1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588702754 1080162057 /nfs/dbraw/zinc/16/20/57/1080162057.db2.gz DLTNGCFLSQLZCQ-UHFFFAOYSA-N -1 3 357.443 2.514 20 30 FFEDHM C=CCn1c(C(C)C)nnc1N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588704828 1080162421 /nfs/dbraw/zinc/16/24/21/1080162421.db2.gz PMMNBYLIKLCXOI-ZDUSSCGKSA-N -1 3 352.446 2.965 20 30 FFEDHM C=CCn1c(C(C)C)nnc1N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588704828 1080162423 /nfs/dbraw/zinc/16/24/23/1080162423.db2.gz PMMNBYLIKLCXOI-ZDUSSCGKSA-N -1 3 352.446 2.965 20 30 FFEDHM CC#CCN(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001588747589 1080179760 /nfs/dbraw/zinc/17/97/60/1080179760.db2.gz NFYVZBQUQFQYJD-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CC#CCN(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001588747589 1080179763 /nfs/dbraw/zinc/17/97/63/1080179763.db2.gz NFYVZBQUQFQYJD-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2cnc(Cl)cc2-c2nnn[n-]2)cc1 ZINC001589036064 1080317683 /nfs/dbraw/zinc/31/76/83/1080317683.db2.gz MKWWRLNJCNFESN-UHFFFAOYSA-N -1 3 367.800 2.969 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2cnc(Cl)cc2-c2nn[n-]n2)cc1 ZINC001589036064 1080317689 /nfs/dbraw/zinc/31/76/89/1080317689.db2.gz MKWWRLNJCNFESN-UHFFFAOYSA-N -1 3 367.800 2.969 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@H]1CCC(N=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001589179154 1080399165 /nfs/dbraw/zinc/39/91/65/1080399165.db2.gz XJEZNHWNXTYKDL-LBPRGKRZSA-N -1 3 371.445 2.959 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@H]1CCC(N=Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001589179154 1080399172 /nfs/dbraw/zinc/39/91/72/1080399172.db2.gz XJEZNHWNXTYKDL-LBPRGKRZSA-N -1 3 371.445 2.959 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)N2CCC[C@H](C#N)C2)c1-c1nnn[n-]1 ZINC001589237634 1080440650 /nfs/dbraw/zinc/44/06/50/1080440650.db2.gz XWDPCKBCVFKQAF-SNVBAGLBSA-N -1 3 359.459 2.993 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)N2CCC[C@H](C#N)C2)c1-c1nn[n-]n1 ZINC001589237634 1080440654 /nfs/dbraw/zinc/44/06/54/1080440654.db2.gz XWDPCKBCVFKQAF-SNVBAGLBSA-N -1 3 359.459 2.993 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCC1(C#N)CCCC1 ZINC001589254262 1080449092 /nfs/dbraw/zinc/44/90/92/1080449092.db2.gz KKBZKIJGYWERPD-UHFFFAOYSA-N -1 3 356.434 2.629 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCC1(C#N)CCCC1 ZINC001589254262 1080449100 /nfs/dbraw/zinc/44/91/00/1080449100.db2.gz KKBZKIJGYWERPD-UHFFFAOYSA-N -1 3 356.434 2.629 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)ccc1F ZINC001589258080 1080450661 /nfs/dbraw/zinc/45/06/61/1080450661.db2.gz VCKUICWMMGMIIN-UHFFFAOYSA-N -1 3 353.361 2.686 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)ccc1F ZINC001589258080 1080450665 /nfs/dbraw/zinc/45/06/65/1080450665.db2.gz VCKUICWMMGMIIN-UHFFFAOYSA-N -1 3 353.361 2.686 20 30 FFEDHM CC(C)=CCC[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589370453 1080507001 /nfs/dbraw/zinc/50/70/01/1080507001.db2.gz AWEUXFRPOXGOSG-YOEHRIQHSA-N -1 3 352.442 2.800 20 30 FFEDHM CC(C)[C@@](C)(O)CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589427765 1080526187 /nfs/dbraw/zinc/52/61/87/1080526187.db2.gz BQELYKFQXQNZDU-IBGZPJMESA-N -1 3 369.473 2.611 20 30 FFEDHM CC(C)[C@@](C)(O)CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589427765 1080526192 /nfs/dbraw/zinc/52/61/92/1080526192.db2.gz BQELYKFQXQNZDU-IBGZPJMESA-N -1 3 369.473 2.611 20 30 FFEDHM C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)CN(C)C(=O)OC(C)(C)C ZINC001589876104 1080823565 /nfs/dbraw/zinc/82/35/65/1080823565.db2.gz OHHNQFVUTBOPNJ-GFCCVEGCSA-N -1 3 371.445 2.653 20 30 FFEDHM C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)CN(C)C(=O)OC(C)(C)C ZINC001589876104 1080823568 /nfs/dbraw/zinc/82/35/68/1080823568.db2.gz OHHNQFVUTBOPNJ-GFCCVEGCSA-N -1 3 371.445 2.653 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589895870 1080842781 /nfs/dbraw/zinc/84/27/81/1080842781.db2.gz BEZYNYOTMNDXMY-ZIAGYGMSSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589895870 1080842784 /nfs/dbraw/zinc/84/27/84/1080842784.db2.gz BEZYNYOTMNDXMY-ZIAGYGMSSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589915112 1080857826 /nfs/dbraw/zinc/85/78/26/1080857826.db2.gz FLDPJJAATKDSJY-KBXCAEBGSA-N -1 3 360.421 2.816 20 30 FFEDHM C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589926506 1080866918 /nfs/dbraw/zinc/86/69/18/1080866918.db2.gz SHOWHMQLFROQLH-LBPRGKRZSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589926506 1080866920 /nfs/dbraw/zinc/86/69/20/1080866920.db2.gz SHOWHMQLFROQLH-LBPRGKRZSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589937606 1080881739 /nfs/dbraw/zinc/88/17/39/1080881739.db2.gz INJYSLUVSZCEMR-UYHISHBKSA-N -1 3 358.405 2.719 20 30 FFEDHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589937606 1080881746 /nfs/dbraw/zinc/88/17/46/1080881746.db2.gz INJYSLUVSZCEMR-UYHISHBKSA-N -1 3 358.405 2.719 20 30 FFEDHM C[C@]1(C#N)CCN(c2ccc(-c3nnn[n-]3)c(Br)c2F)C1 ZINC001590056313 1080983926 /nfs/dbraw/zinc/98/39/26/1080983926.db2.gz GKPFBEPWXPTMNR-CYBMUJFWSA-N -1 3 351.183 2.508 20 30 FFEDHM C[C@]1(C#N)CCN(c2ccc(-c3nn[n-]n3)c(Br)c2F)C1 ZINC001590056313 1080983929 /nfs/dbraw/zinc/98/39/29/1080983929.db2.gz GKPFBEPWXPTMNR-CYBMUJFWSA-N -1 3 351.183 2.508 20 30 FFEDHM C[C@@]1(CNc2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)CCCO1 ZINC001590134835 1081041506 /nfs/dbraw/zinc/04/15/06/1081041506.db2.gz KWLBYFJTFFNIGA-IBGZPJMESA-N -1 3 367.457 2.773 20 30 FFEDHM C[C@@]1(CNc2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)CCCO1 ZINC001590134835 1081041516 /nfs/dbraw/zinc/04/15/16/1081041516.db2.gz KWLBYFJTFFNIGA-IBGZPJMESA-N -1 3 367.457 2.773 20 30 FFEDHM C[C@@H]1CCC[C@H](CCNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590245318 1081118775 /nfs/dbraw/zinc/11/87/75/1081118775.db2.gz ZVRRDHRXVNKXCV-IIDMSEBBSA-N -1 3 366.469 2.882 20 30 FFEDHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000152975132 251087085 /nfs/dbraw/zinc/08/70/85/251087085.db2.gz SPEHOXANGDTIHG-LBPRGKRZSA-N -1 3 364.446 2.997 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000173529979 251200669 /nfs/dbraw/zinc/20/06/69/251200669.db2.gz NDGBMMQNBICOON-LLVKDONJSA-N -1 3 369.396 2.749 20 30 FFEDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000276947231 256145672 /nfs/dbraw/zinc/14/56/72/256145672.db2.gz NVJHCVCVOJSWOL-ZJUUUORDSA-N -1 3 367.862 2.883 20 30 FFEDHM N#Cc1ccc(CN2CC[C@H]([N-]c3nnc(C(F)(F)F)s3)C2=O)cc1 ZINC000277491282 256203987 /nfs/dbraw/zinc/20/39/87/256203987.db2.gz UERDUXQSQMOHJK-NSHDSACASA-N -1 3 367.356 2.642 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3cccc(F)c3)C2)s1 ZINC000331607811 258193047 /nfs/dbraw/zinc/19/30/47/258193047.db2.gz JKPFCYRHNUOARK-ZDUSSCGKSA-N -1 3 365.455 2.706 20 30 FFEDHM C=C(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000377130590 512135685 /nfs/dbraw/zinc/13/56/85/512135685.db2.gz OQBFMWQVSCGXCM-GOSISDBHSA-N -1 3 350.418 2.826 20 30 FFEDHM C=CCOc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000056337585 506989497 /nfs/dbraw/zinc/98/94/97/506989497.db2.gz XTKOMVWBWZAWLI-GFCCVEGCSA-N -1 3 366.464 2.618 20 30 FFEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cnccn3)s2)cc1 ZINC000021055842 507241784 /nfs/dbraw/zinc/24/17/84/507241784.db2.gz XGFJBSBERDGETB-UHFFFAOYSA-N -1 3 354.420 2.744 20 30 FFEDHM COCCOc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2ccccn2)cc1OC ZINC000049457285 507621706 /nfs/dbraw/zinc/62/17/06/507621706.db2.gz HRFPFWSRDJMFKP-ZDUSSCGKSA-N -1 3 371.349 2.514 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)CCO2)c1 ZINC000371362833 512353586 /nfs/dbraw/zinc/35/35/86/512353586.db2.gz YAOPURYEHOUMKI-FQEVSTJZSA-N -1 3 359.385 2.613 20 30 FFEDHM COc1cccc(C(=O)C(C(=S)[N-]C2CC2)[n+]2cc([O-])ccc2C)c1 ZINC000063850935 507775536 /nfs/dbraw/zinc/77/55/36/507775536.db2.gz SVBAFGPZEOCCNB-UHFFFAOYSA-O -1 3 357.455 2.688 20 30 FFEDHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C#N)cc1 ZINC000052505479 507811188 /nfs/dbraw/zinc/81/11/88/507811188.db2.gz FACGUTNYAZVMLB-RDTXWAMCSA-N -1 3 363.417 2.746 20 30 FFEDHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000090165625 507912806 /nfs/dbraw/zinc/91/28/06/507912806.db2.gz BXAVBLAWRICZFL-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM C=CCOCCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000080434344 508073251 /nfs/dbraw/zinc/07/32/51/508073251.db2.gz DIUGGXXYAJRKGU-UHFFFAOYSA-N -1 3 372.462 2.824 20 30 FFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111355485 508093186 /nfs/dbraw/zinc/09/31/86/508093186.db2.gz WYLHFQQVDIFQJL-UHFFFAOYSA-N -1 3 354.409 2.700 20 30 FFEDHM CC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000075681705 508128512 /nfs/dbraw/zinc/12/85/12/508128512.db2.gz VVQJAGOHTKMGCV-QGZVFWFLSA-N -1 3 351.450 2.934 20 30 FFEDHM C=CCN(CC=C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000081459781 508177454 /nfs/dbraw/zinc/17/74/54/508177454.db2.gz FJTMQMDFZYVIIS-UHFFFAOYSA-N -1 3 365.389 2.807 20 30 FFEDHM C=CCN(CC=C)[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(C)C ZINC000081725029 508206690 /nfs/dbraw/zinc/20/66/90/508206690.db2.gz VIZPFDFPKSXZSJ-MRXNPFEDSA-N -1 3 374.529 2.804 20 30 FFEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000084057839 508264182 /nfs/dbraw/zinc/26/41/82/508264182.db2.gz TVYCZWBJBYTKAE-OAHLLOKOSA-N -1 3 358.829 2.640 20 30 FFEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000103443696 508312249 /nfs/dbraw/zinc/31/22/49/508312249.db2.gz AYBNXVVTAMGOPU-NSHDSACASA-N -1 3 371.890 2.791 20 30 FFEDHM CCO[C@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000127385215 508442203 /nfs/dbraw/zinc/44/22/03/508442203.db2.gz DSGSDOQHXUPYBD-ROUUACIJSA-N -1 3 371.481 2.602 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ncccc2F)c(C(F)(F)F)c1 ZINC000156679257 508461130 /nfs/dbraw/zinc/46/11/30/508461130.db2.gz VMJCWEJLDFINDJ-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM N#Cc1ccc([C@H](O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000122071031 508476885 /nfs/dbraw/zinc/47/68/85/508476885.db2.gz WGOYVBIGNRGFOX-HXUWFJFHSA-N -1 3 350.418 2.892 20 30 FFEDHM N#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000134261900 508514113 /nfs/dbraw/zinc/51/41/13/508514113.db2.gz TWAMIHNUCARRIH-KRWDZBQOSA-N -1 3 370.840 2.707 20 30 FFEDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cs1 ZINC000157065723 508518418 /nfs/dbraw/zinc/51/84/18/508518418.db2.gz BCJGAMJNPCHXOY-UHFFFAOYSA-N -1 3 353.444 2.798 20 30 FFEDHM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157267068 508544675 /nfs/dbraw/zinc/54/46/75/508544675.db2.gz ZPCYPSLSIPWKDB-HNNXBMFYSA-N -1 3 357.391 2.741 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCC(=O)Nc1ccccc1 ZINC000157547155 508579745 /nfs/dbraw/zinc/57/97/45/508579745.db2.gz KSIDQQZLHFGHBM-UHFFFAOYSA-N -1 3 363.826 2.519 20 30 FFEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000129075720 508679595 /nfs/dbraw/zinc/67/95/95/508679595.db2.gz IPSRWOAFRRPXOG-UHFFFAOYSA-N -1 3 362.282 2.507 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000142110408 508821707 /nfs/dbraw/zinc/82/17/07/508821707.db2.gz MYOMBFMWYYGAOV-LJQANCHMSA-N -1 3 365.433 2.865 20 30 FFEDHM COc1ccc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000159553190 508858211 /nfs/dbraw/zinc/85/82/11/508858211.db2.gz ZMTBXESTHCSRKC-UHFFFAOYSA-N -1 3 357.385 2.607 20 30 FFEDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000131472171 508936968 /nfs/dbraw/zinc/93/69/68/508936968.db2.gz VODBLICMRYFZHU-UHFFFAOYSA-N -1 3 356.451 2.658 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1ccc(Sc2nncn2C)c(Cl)c1 ZINC000120148203 508938050 /nfs/dbraw/zinc/93/80/50/508938050.db2.gz ONMYAURMXFOCFT-UHFFFAOYSA-N -1 3 358.876 2.938 20 30 FFEDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151105513 508957447 /nfs/dbraw/zinc/95/74/47/508957447.db2.gz LNGSFWQQLDDLSC-UHFFFAOYSA-N -1 3 363.414 2.750 20 30 FFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000160833887 509037694 /nfs/dbraw/zinc/03/76/94/509037694.db2.gz DHOWGRSQJMCXAC-ZETCQYMHSA-N -1 3 367.652 2.692 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000156023066 509111638 /nfs/dbraw/zinc/11/16/38/509111638.db2.gz JOYDEPTXDVSJSZ-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000164076774 509461105 /nfs/dbraw/zinc/46/11/05/509461105.db2.gz FRVLOTREHUGKAZ-KRWDZBQOSA-N -1 3 366.389 2.644 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000164166955 509470529 /nfs/dbraw/zinc/47/05/29/509470529.db2.gz PPIYPOYUKKRJCL-MSOLQXFVSA-N -1 3 360.410 2.647 20 30 FFEDHM C#CCN1CCC(C(=O)Nc2cc(C)cc(Br)c2[O-])CC1 ZINC000182931306 509500901 /nfs/dbraw/zinc/50/09/01/509500901.db2.gz VXLKLBCMZZQSNA-UHFFFAOYSA-N -1 3 351.244 2.747 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000183451539 509797883 /nfs/dbraw/zinc/79/78/83/509797883.db2.gz YVTSFFNYVZIWFI-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM CCS[C@H]1CC[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000174365357 510078901 /nfs/dbraw/zinc/07/89/01/510078901.db2.gz XRZJVNWCBFFUPZ-GJZGRUSLSA-N -1 3 361.511 2.929 20 30 FFEDHM C=CC1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000180802450 510118617 /nfs/dbraw/zinc/11/86/17/510118617.db2.gz WDRPGEYQRKJEMK-UHFFFAOYSA-N -1 3 367.446 2.696 20 30 FFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000187245641 510146089 /nfs/dbraw/zinc/14/60/89/510146089.db2.gz HYYHNGSXGNFREW-TZMCWYRMSA-N -1 3 372.874 2.726 20 30 FFEDHM N#Cc1cc(Cl)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000187263858 510159637 /nfs/dbraw/zinc/15/96/37/510159637.db2.gz INCQPJXRFKGPAS-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1cc(C)cc(C)c1 ZINC000184261200 510226450 /nfs/dbraw/zinc/22/64/50/510226450.db2.gz CZEAODUJZGPSCQ-SFHVURJKSA-N -1 3 372.446 2.509 20 30 FFEDHM CC(=O)c1cccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1 ZINC000181290861 510339952 /nfs/dbraw/zinc/33/99/52/510339952.db2.gz LHONWBCMFOXLMT-NSHDSACASA-N -1 3 366.299 2.589 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269362076 510361704 /nfs/dbraw/zinc/36/17/04/510361704.db2.gz UQKHOYQUMJSRSI-FQEVSTJZSA-N -1 3 370.453 2.533 20 30 FFEDHM C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)C(C)C ZINC000262957234 510494711 /nfs/dbraw/zinc/49/47/11/510494711.db2.gz IQZVOZXNDKQSTR-SQGPQFPESA-N -1 3 363.502 2.581 20 30 FFEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C12CCC2 ZINC000184922685 510586517 /nfs/dbraw/zinc/58/65/17/510586517.db2.gz CGTRFGPMXMRCDO-GJZGRUSLSA-N -1 3 354.859 2.838 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)CC1 ZINC000278273979 510986170 /nfs/dbraw/zinc/98/61/70/510986170.db2.gz AKHGOZVOIFKLRU-UHFFFAOYSA-N -1 3 351.428 2.672 20 30 FFEDHM C=CCN(C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C1CC1 ZINC000364835914 511105467 /nfs/dbraw/zinc/10/54/67/511105467.db2.gz XLWWHWGFBISGIZ-UHFFFAOYSA-N -1 3 366.421 2.527 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000298344261 511251602 /nfs/dbraw/zinc/25/16/02/511251602.db2.gz JRLLDEAVUDACFS-UHFFFAOYSA-N -1 3 364.405 2.732 20 30 FFEDHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000280059301 511319901 /nfs/dbraw/zinc/31/99/01/511319901.db2.gz YYRQGYANKQMGQI-HNNXBMFYSA-N -1 3 371.462 2.779 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000365430482 511447126 /nfs/dbraw/zinc/44/71/26/511447126.db2.gz WGCSTRWTAJMYTP-HNNXBMFYSA-N -1 3 371.466 2.621 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272509265 511497713 /nfs/dbraw/zinc/49/77/13/511497713.db2.gz FUCFEZPTQHMPOL-HNAYVOBHSA-N -1 3 365.433 2.871 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000363412542 511534968 /nfs/dbraw/zinc/53/49/68/511534968.db2.gz ZXTJBZIIOFMPRQ-KRWDZBQOSA-N -1 3 365.433 2.888 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H](NCc3cccc([O-])c3Cl)C2=O)cc1 ZINC000293205429 511881238 /nfs/dbraw/zinc/88/12/38/511881238.db2.gz IWXQRMRUSYOCHO-MRXNPFEDSA-N -1 3 355.825 2.808 20 30 FFEDHM CN(C)c1nc(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc(=O)[n-]1 ZINC000328791364 511933005 /nfs/dbraw/zinc/93/30/05/511933005.db2.gz ZHASTBGPCHSABG-AWEZNQCLSA-N -1 3 370.457 2.942 20 30 FFEDHM CC(=O)NC1(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)CCCCC1 ZINC000329212531 512006901 /nfs/dbraw/zinc/00/69/01/512006901.db2.gz HWICSRAWUNAYGU-DYVFJYSZSA-N -1 3 364.446 2.690 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000293555561 512007839 /nfs/dbraw/zinc/00/78/39/512007839.db2.gz VPWFDCRVIGTNKK-LBPRGKRZSA-N -1 3 351.428 2.692 20 30 FFEDHM CC(C)(C)[C@H](NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1cccs1 ZINC000329242724 512012975 /nfs/dbraw/zinc/01/29/75/512012975.db2.gz AIFMVSZFXNRULX-BXUZGUMPSA-N -1 3 364.471 2.868 20 30 FFEDHM C[C@@H]1CC(CNC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)C[C@@H](C)O1 ZINC000329480404 512054726 /nfs/dbraw/zinc/05/47/26/512054726.db2.gz CYQQUPSSNNEPIG-JCTQEILZSA-N -1 3 366.462 2.601 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1[O-] ZINC000411416735 512625910 /nfs/dbraw/zinc/62/59/10/512625910.db2.gz FFTKRDHFYPUOAI-UHFFFAOYSA-N -1 3 363.417 2.819 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000372049097 512694091 /nfs/dbraw/zinc/69/40/91/512694091.db2.gz PGWSIPYSPAAGHG-UYAOXDASSA-N -1 3 357.454 2.530 20 30 FFEDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CCC2 ZINC000372132799 512730299 /nfs/dbraw/zinc/73/02/99/512730299.db2.gz YEAFTYFNAOUWEV-GFCCVEGCSA-N -1 3 364.858 2.573 20 30 FFEDHM N#CCOc1cccc(CC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1 ZINC000372258473 512784913 /nfs/dbraw/zinc/78/49/13/512784913.db2.gz NRNAIEPRZORYQC-UHFFFAOYSA-N -1 3 369.331 2.833 20 30 FFEDHM N#CCOc1cccc(CC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1 ZINC000372258473 512784917 /nfs/dbraw/zinc/78/49/17/512784917.db2.gz NRNAIEPRZORYQC-UHFFFAOYSA-N -1 3 369.331 2.833 20 30 FFEDHM N#CCOc1cccc(CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000372258473 512784923 /nfs/dbraw/zinc/78/49/23/512784923.db2.gz NRNAIEPRZORYQC-UHFFFAOYSA-N -1 3 369.331 2.833 20 30 FFEDHM C=CCN(CCC#N)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000428843308 513207860 /nfs/dbraw/zinc/20/78/60/513207860.db2.gz SSJIXBRFMCSVMN-GFCCVEGCSA-N -1 3 374.466 2.932 20 30 FFEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(OCCO)c1 ZINC000446585888 513287282 /nfs/dbraw/zinc/28/72/82/513287282.db2.gz LHELLEMOWLEHGF-UHFFFAOYSA-N -1 3 369.421 2.527 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C#N)c(C#N)c1C ZINC000421561445 513309246 /nfs/dbraw/zinc/30/92/46/513309246.db2.gz SPDKLRJGGVODJN-UHFFFAOYSA-N -1 3 359.389 2.899 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C(=O)Cc1ccccc1 ZINC000440985777 513453802 /nfs/dbraw/zinc/45/38/02/513453802.db2.gz JSQUUXPOEHFLSK-OAHLLOKOSA-N -1 3 365.433 2.525 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2Br)s1 ZINC000435430114 513582842 /nfs/dbraw/zinc/58/28/42/513582842.db2.gz YEMWNKRHJLHNEF-UHFFFAOYSA-N -1 3 371.281 2.903 20 30 FFEDHM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435433828 513586348 /nfs/dbraw/zinc/58/63/48/513586348.db2.gz PEOJRKYEICOIIW-UHFFFAOYSA-N -1 3 350.465 2.984 20 30 FFEDHM Cc1[n-][nH]c(=NC(=O)c2cccc(C#N)c2)c1-c1ccc2c(c1)OCCO2 ZINC000435717290 513667172 /nfs/dbraw/zinc/66/71/72/513667172.db2.gz LNAWNXLCFFHNPS-UHFFFAOYSA-N -1 3 360.373 2.702 20 30 FFEDHM N#Cc1cc(NC(=O)NCc2ncccc2[O-])ccc1OC(F)(F)F ZINC000442185156 513681803 /nfs/dbraw/zinc/68/18/03/513681803.db2.gz QBOCZUFFIRQAMY-UHFFFAOYSA-N -1 3 352.272 2.879 20 30 FFEDHM CCOC(=O)c1nc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)oc1C ZINC000448394262 513749086 /nfs/dbraw/zinc/74/90/86/513749086.db2.gz ZCLMGQJJMQVDAO-UHFFFAOYSA-N -1 3 366.333 2.939 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)nc(C)n1 ZINC000442663408 513753309 /nfs/dbraw/zinc/75/33/09/513753309.db2.gz XHWZQDCZCXGTSG-GFCCVEGCSA-N -1 3 350.300 2.920 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000416461868 513784666 /nfs/dbraw/zinc/78/46/66/513784666.db2.gz ZNMNNFKMWMPELZ-CYBMUJFWSA-N -1 3 373.272 2.558 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000416465302 513786638 /nfs/dbraw/zinc/78/66/38/513786638.db2.gz LDGNKHODTBWXMJ-JSGCOSHPSA-N -1 3 361.492 2.747 20 30 FFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416528903 513818443 /nfs/dbraw/zinc/81/84/43/513818443.db2.gz IQDUEOWOXQTSAD-UHFFFAOYSA-N -1 3 356.245 2.539 20 30 FFEDHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC000443018209 513844582 /nfs/dbraw/zinc/84/45/82/513844582.db2.gz BKERXRCKOLULTH-UHFFFAOYSA-N -1 3 363.870 2.622 20 30 FFEDHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443066356 513861097 /nfs/dbraw/zinc/86/10/97/513861097.db2.gz HLWGPSFOSHSJSM-BETUJISGSA-N -1 3 355.891 2.753 20 30 FFEDHM COC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000451615408 513868017 /nfs/dbraw/zinc/86/80/17/513868017.db2.gz PWIHLQLGXIUTFH-UHFFFAOYSA-N -1 3 362.373 2.815 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCC[C@H](C)C1 ZINC000443108142 513873341 /nfs/dbraw/zinc/87/33/41/513873341.db2.gz MDFZFJKZKFGBKM-STQMWFEESA-N -1 3 355.891 2.610 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCC1 ZINC000416673410 513900413 /nfs/dbraw/zinc/90/04/13/513900413.db2.gz TUZAZMQPSDOODU-UHFFFAOYSA-N -1 3 352.309 2.696 20 30 FFEDHM COc1ccc(Br)c(CS(=O)(=O)[N-]CC2(C#N)CCC2)c1 ZINC000416671952 513900765 /nfs/dbraw/zinc/90/07/65/513900765.db2.gz PUQPPDDDIWDTEV-UHFFFAOYSA-N -1 3 373.272 2.571 20 30 FFEDHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443250694 513910247 /nfs/dbraw/zinc/91/02/47/513910247.db2.gz OIQAWWWNTMJWPI-QZTJIDSGSA-N -1 3 360.410 2.714 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000443261966 513913395 /nfs/dbraw/zinc/91/33/95/513913395.db2.gz GSBMMOFSTSBMRS-ZDUSSCGKSA-N -1 3 372.780 2.502 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H](CO)C(C)C ZINC000451852398 514022263 /nfs/dbraw/zinc/02/22/63/514022263.db2.gz KDDPBZNEIWQDAT-XJKSGUPXSA-N -1 3 358.891 2.779 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000452020165 514139265 /nfs/dbraw/zinc/13/92/65/514139265.db2.gz GPIUJQNJVYYJMY-NSHDSACASA-N -1 3 358.510 2.785 20 30 FFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000452046714 514158507 /nfs/dbraw/zinc/15/85/07/514158507.db2.gz WNIZGSYKQPDBFQ-UHFFFAOYSA-N -1 3 364.261 2.711 20 30 FFEDHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CCNCC1(F)F ZINC000423874281 514273181 /nfs/dbraw/zinc/27/31/81/514273181.db2.gz JJQOZDZUSHBZGJ-KCJUWKMLSA-N -1 3 358.257 2.929 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCCOc1ccc(Cl)cc1 ZINC000428231622 514426908 /nfs/dbraw/zinc/42/69/08/514426908.db2.gz RZOXOPNOUFXCFY-UHFFFAOYSA-N -1 3 365.842 2.744 20 30 FFEDHM CC(C)(C)c1ccccc1OCC[N-]S(=O)(=O)c1cccnc1C#N ZINC000428271385 514437187 /nfs/dbraw/zinc/43/71/87/514437187.db2.gz ZLNKMXOQAIIAHH-UHFFFAOYSA-N -1 3 359.451 2.608 20 30 FFEDHM C=CCN1CCC(NC(=O)c2nn(-c3ccccc3CC)cc2[O-])CC1 ZINC000438894733 514463653 /nfs/dbraw/zinc/46/36/53/514463653.db2.gz KRONBGASBAHKRS-UHFFFAOYSA-N -1 3 354.454 2.521 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1ccccc1Cl ZINC000428411665 514470045 /nfs/dbraw/zinc/47/00/45/514470045.db2.gz TWAYDSPDIMJSOD-GFCCVEGCSA-N -1 3 365.842 2.743 20 30 FFEDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000445706593 514507382 /nfs/dbraw/zinc/50/73/82/514507382.db2.gz FZQLQPCAPPGAAG-SNVBAGLBSA-N -1 3 365.333 2.722 20 30 FFEDHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000445761495 514519069 /nfs/dbraw/zinc/51/90/69/514519069.db2.gz ZUDUDDLJAKIXCK-INIZCTEOSA-N -1 3 356.875 2.821 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCc1cc2c(c(Br)c1)OCO2 ZINC000470824469 514630646 /nfs/dbraw/zinc/63/06/46/514630646.db2.gz GZMYQCPCEMQIOO-UHFFFAOYSA-N -1 3 370.228 2.953 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c(Cl)c1 ZINC000466545464 514684568 /nfs/dbraw/zinc/68/45/68/514684568.db2.gz OBFUTEQHWDHEBQ-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000480087707 514836858 /nfs/dbraw/zinc/83/68/58/514836858.db2.gz YDUDQRRNDJTRHR-STQMWFEESA-N -1 3 357.439 2.886 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000456059884 514928195 /nfs/dbraw/zinc/92/81/95/514928195.db2.gz RQHMJYMPUJJEIC-STQMWFEESA-N -1 3 368.393 2.753 20 30 FFEDHM CC#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000498580534 514983965 /nfs/dbraw/zinc/98/39/65/514983965.db2.gz MBAPICUGXAVJKD-UHFFFAOYSA-N -1 3 360.410 2.770 20 30 FFEDHM C=CCC1(CNC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000456490524 515218075 /nfs/dbraw/zinc/21/80/75/515218075.db2.gz XCJWLJUCTULHEG-LJQANCHMSA-N -1 3 355.438 2.608 20 30 FFEDHM C[C@@]1(c2ccc(CNc3c(Cl)cccc3C#N)cc2)NC(=O)[N-]C1=O ZINC000462806391 515253612 /nfs/dbraw/zinc/25/36/12/515253612.db2.gz XBPXGQCNAYKWRH-SFHVURJKSA-N -1 3 354.797 2.878 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1C ZINC000499455465 515332567 /nfs/dbraw/zinc/33/25/67/515332567.db2.gz NFYDSVUUFIPHMJ-JTQLQIEISA-N -1 3 351.284 2.716 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)cc1 ZINC000504674211 515354101 /nfs/dbraw/zinc/35/41/01/515354101.db2.gz XEQKRLFIQIRLRI-UHFFFAOYSA-N -1 3 372.384 2.763 20 30 FFEDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]1 ZINC000486627230 515569324 /nfs/dbraw/zinc/56/93/24/515569324.db2.gz HYVWFQCNSRRFFS-ZJUUUORDSA-N -1 3 367.862 2.883 20 30 FFEDHM CCN(Cc1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc1)C1CC1 ZINC000469188389 515711357 /nfs/dbraw/zinc/71/13/57/515711357.db2.gz CTWDJVVYPPJXEG-UHFFFAOYSA-N -1 3 351.454 2.994 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)Oc3ccccc3C#N)[n-]c21 ZINC000494116288 515737904 /nfs/dbraw/zinc/73/79/04/515737904.db2.gz WZCZIOMNDKOAFD-LLVKDONJSA-N -1 3 364.361 2.627 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3ccccc3C#N)nc21 ZINC000494116288 515737912 /nfs/dbraw/zinc/73/79/12/515737912.db2.gz WZCZIOMNDKOAFD-LLVKDONJSA-N -1 3 364.361 2.627 20 30 FFEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CC[C@H](C)C1 ZINC000482668101 515760670 /nfs/dbraw/zinc/76/06/70/515760670.db2.gz VEDQDJSQJBIFQY-BBRMVZONSA-N -1 3 359.470 2.872 20 30 FFEDHM Cc1c(C#N)cccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511324727 515863261 /nfs/dbraw/zinc/86/32/61/515863261.db2.gz XFPFTWOKXVCIHW-UHFFFAOYSA-N -1 3 355.195 2.951 20 30 FFEDHM C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCC1 ZINC000511952505 516090050 /nfs/dbraw/zinc/09/00/50/516090050.db2.gz LTSSJXGRJDZHAZ-UHFFFAOYSA-N -1 3 374.865 2.620 20 30 FFEDHM COCc1nc(Sc2c(C#N)cnc3c(OC)cc(OC)cc32)n[n-]1 ZINC000557625269 516341980 /nfs/dbraw/zinc/34/19/80/516341980.db2.gz KWUZJPHZJNMHRG-UHFFFAOYSA-N -1 3 357.395 2.539 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H](C)O1 ZINC000517897168 516484032 /nfs/dbraw/zinc/48/40/32/516484032.db2.gz UVZSEQWXLBNVDB-DDFAGTSDSA-N -1 3 373.272 2.555 20 30 FFEDHM Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000528552448 516524886 /nfs/dbraw/zinc/52/48/86/516524886.db2.gz LATWQRWOOLZFHU-UHFFFAOYSA-N -1 3 374.437 2.990 20 30 FFEDHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)o1 ZINC000561483368 516612139 /nfs/dbraw/zinc/61/21/39/516612139.db2.gz GAXPCDQQTFMZSQ-UHFFFAOYSA-N -1 3 369.240 2.743 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]2CCCO[C@H]21 ZINC000548122707 516777919 /nfs/dbraw/zinc/77/79/19/516777919.db2.gz WCDGLNYRVJHWFX-KCPJHIHWSA-N -1 3 354.859 2.694 20 30 FFEDHM Cc1cncn1CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528911496 516790321 /nfs/dbraw/zinc/79/03/21/516790321.db2.gz AILOOIYSWVPVNY-LBPRGKRZSA-N -1 3 367.434 2.657 20 30 FFEDHM CN1CCC(C#N)(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000536688535 516894127 /nfs/dbraw/zinc/89/41/27/516894127.db2.gz ANBTUWZBNSAZPD-UHFFFAOYSA-N -1 3 365.433 2.689 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)C1CCCCC1 ZINC000555415030 516918386 /nfs/dbraw/zinc/91/83/86/516918386.db2.gz XXWQGJVMTGHSGP-AWEZNQCLSA-N -1 3 356.875 2.679 20 30 FFEDHM C[C@@]1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000541386655 517024330 /nfs/dbraw/zinc/02/43/30/517024330.db2.gz GEKZYYXXPZSUDI-HUUCEWRRSA-N -1 3 374.384 2.813 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)c(F)c1 ZINC000545183922 517091582 /nfs/dbraw/zinc/09/15/82/517091582.db2.gz NJOOXEQLDDTZEX-UHFFFAOYSA-N -1 3 368.393 2.633 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCOc1cccc(Cl)c1Cl ZINC000559242658 517128675 /nfs/dbraw/zinc/12/86/75/517128675.db2.gz XVAPBKDFLDERLS-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1noc(-c2ccccc2)n1 ZINC000545364446 517199974 /nfs/dbraw/zinc/19/99/74/517199974.db2.gz WBSILAUPTDTIEY-CYBMUJFWSA-N -1 3 360.439 2.801 20 30 FFEDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000537743788 517321795 /nfs/dbraw/zinc/32/17/95/517321795.db2.gz TYDSZSLKUVLIDK-ZYHUDNBSSA-N -1 3 362.373 2.670 20 30 FFEDHM COC(=O)c1cc(C)nc2nc(SCc3cccc(C#N)c3)[n-]c(=O)c21 ZINC000520554433 517433125 /nfs/dbraw/zinc/43/31/25/517433125.db2.gz PKFSREJVDZLSFI-UHFFFAOYSA-N -1 3 366.402 2.989 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549311366 517504825 /nfs/dbraw/zinc/50/48/25/517504825.db2.gz VDMGCLKGNLWEME-LLVKDONJSA-N -1 3 357.439 2.895 20 30 FFEDHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCC1 ZINC000538282871 517540534 /nfs/dbraw/zinc/54/05/34/517540534.db2.gz IBPPPMHYZGQIOF-LBPRGKRZSA-N -1 3 356.875 2.679 20 30 FFEDHM N#CC(=C([O-])c1ccc(CNC(=O)c2cccs2)cc1)c1ccncn1 ZINC000546152194 517570073 /nfs/dbraw/zinc/57/00/73/517570073.db2.gz AKCOPGVXBALGPZ-HNNXBMFYSA-N -1 3 362.414 2.958 20 30 FFEDHM N#CC(=C([O-])c1ccc(CNC(=O)c2cccs2)cc1)c1ccncn1 ZINC000546152195 517571063 /nfs/dbraw/zinc/57/10/63/517571063.db2.gz AKCOPGVXBALGPZ-OAHLLOKOSA-N -1 3 362.414 2.958 20 30 FFEDHM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000563223465 517753161 /nfs/dbraw/zinc/75/31/61/517753161.db2.gz ABCWKIPKPLLVKV-UHFFFAOYSA-N -1 3 351.472 2.896 20 30 FFEDHM CCc1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1[O-] ZINC000542820674 517763765 /nfs/dbraw/zinc/76/37/65/517763765.db2.gz LBWURHQPZYTYEN-SFHVURJKSA-N -1 3 363.417 2.752 20 30 FFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000522054966 517968331 /nfs/dbraw/zinc/96/83/31/517968331.db2.gz XKSLNDMTTZEAAK-UHFFFAOYSA-N -1 3 366.370 2.777 20 30 FFEDHM C=CCSCCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000543605565 518150212 /nfs/dbraw/zinc/15/02/12/518150212.db2.gz SHOYDDFTQXZDIB-UHFFFAOYSA-N -1 3 361.423 2.590 20 30 FFEDHM C=CCc1cc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1OC ZINC000563896411 518218835 /nfs/dbraw/zinc/21/88/35/518218835.db2.gz JGTJSTLYHIPUJV-UHFFFAOYSA-N -1 3 369.421 2.735 20 30 FFEDHM N#Cc1ccncc1N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000569768393 518279295 /nfs/dbraw/zinc/27/92/95/518279295.db2.gz DCFOJGRBHPUDHE-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000581732690 518430727 /nfs/dbraw/zinc/43/07/27/518430727.db2.gz GTFAUKCZXHGGID-YVEFUNNKSA-N -1 3 368.430 2.753 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccccn1 ZINC000585708261 518569719 /nfs/dbraw/zinc/56/97/19/518569719.db2.gz LDYADRWBGFTANO-SNVBAGLBSA-N -1 3 366.240 2.755 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000585739725 518581362 /nfs/dbraw/zinc/58/13/62/518581362.db2.gz AGHBDKGXYWBSTK-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc2c[nH]nc2c1 ZINC000585739796 518581420 /nfs/dbraw/zinc/58/14/20/518581420.db2.gz JZZPLHDAVLTIPG-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]2(CCSC2)C1 ZINC000579322263 518624682 /nfs/dbraw/zinc/62/46/82/518624682.db2.gz LTESYWPKXQNBOD-IBGZPJMESA-N -1 3 359.495 2.954 20 30 FFEDHM CN1CCC(Oc2ccc(CNC(=O)c3cc([O-])cc(C#N)c3)cc2)CC1 ZINC000586840311 518659549 /nfs/dbraw/zinc/65/95/49/518659549.db2.gz VIPGSJIIOTUPFO-UHFFFAOYSA-N -1 3 365.433 2.667 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000589976424 519116041 /nfs/dbraw/zinc/11/60/41/519116041.db2.gz HTYAONSGQABEFV-SECBINFHSA-N -1 3 354.325 2.941 20 30 FFEDHM CSc1nc(C2CC2)cc(-c2nc(-c3cc(=O)[n-]cn3)no2)c1C#N ZINC000566217586 519374619 /nfs/dbraw/zinc/37/46/19/519374619.db2.gz UGSSCVOCOQGMDF-UHFFFAOYSA-N -1 3 352.379 2.765 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN(Cc3ccccc3)C2)o1 ZINC000578178494 519460507 /nfs/dbraw/zinc/46/05/07/519460507.db2.gz WUSLKTBBTQCXGN-QGZVFWFLSA-N -1 3 373.478 2.732 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1F ZINC000569416825 519535370 /nfs/dbraw/zinc/53/53/70/519535370.db2.gz IBHVJJWQPJOQQI-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM C=CCSc1ccccc1C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000566730977 519626517 /nfs/dbraw/zinc/62/65/17/519626517.db2.gz YZYDDKJLDPENFA-BFUOFWGJSA-N -1 3 373.478 2.558 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@H]12 ZINC000594485106 519995466 /nfs/dbraw/zinc/99/54/66/519995466.db2.gz WKKMTQSCJVZFNB-LSDHHAIUSA-N -1 3 353.875 2.507 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594485156 519995777 /nfs/dbraw/zinc/99/57/77/519995777.db2.gz XOOOBCVVYHCKMS-HUUCEWRRSA-N -1 3 353.875 2.507 20 30 FFEDHM N#C[C@]1([N-]S(=O)(=O)CCc2ccccc2F)CCc2ccccc2C1 ZINC000594723088 520113880 /nfs/dbraw/zinc/11/38/80/520113880.db2.gz LFVGUTXINZLZSM-IBGZPJMESA-N -1 3 358.438 2.739 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@]1(C)CCCOC1 ZINC000594768951 520145316 /nfs/dbraw/zinc/14/53/16/520145316.db2.gz YZJDFDUMAOSLSB-INIZCTEOSA-N -1 3 350.465 2.929 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@]1(C)CCO[C@@H]1C ZINC000594773344 520149395 /nfs/dbraw/zinc/14/93/95/520149395.db2.gz RBSQZAQOHJVHKA-BDJLRTHQSA-N -1 3 350.465 2.927 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1(F)F ZINC000594849892 520187908 /nfs/dbraw/zinc/18/79/08/520187908.db2.gz AVPOYQKHIYSGCR-LLVKDONJSA-N -1 3 354.300 2.901 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000617036096 520295271 /nfs/dbraw/zinc/29/52/71/520295271.db2.gz ZDFOJBJMLSRNLB-HOCLYGCPSA-N -1 3 368.474 2.745 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000617034860 520295315 /nfs/dbraw/zinc/29/53/15/520295315.db2.gz FGUQHKFIAZOBBO-KBPBESRZSA-N -1 3 356.513 2.668 20 30 FFEDHM CC(C)C[C@@H](C#N)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000609576847 520363780 /nfs/dbraw/zinc/36/37/80/520363780.db2.gz DFUPFIXIMYGVKG-NSHDSACASA-N -1 3 362.227 2.959 20 30 FFEDHM N#Cc1cccc(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c1 ZINC000604031150 520431584 /nfs/dbraw/zinc/43/15/84/520431584.db2.gz LMVBNGZTBHABEY-UHFFFAOYSA-N -1 3 353.403 2.833 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C#N)cc2)cc1OC ZINC000604187177 520476287 /nfs/dbraw/zinc/47/62/87/520476287.db2.gz LRUKPNSUBWKDQJ-UHFFFAOYSA-N -1 3 359.407 2.581 20 30 FFEDHM COc1ccc2c(c1)CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000598225192 520504831 /nfs/dbraw/zinc/50/48/31/520504831.db2.gz UZYIHAMWZXNLOC-UHFFFAOYSA-N -1 3 365.433 2.802 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)c3ccc4[nH][n-]c(=O)c4c3)CCOCC2)c1 ZINC000598245709 520516119 /nfs/dbraw/zinc/51/61/19/520516119.db2.gz GYVYUNZSAFXYGJ-UHFFFAOYSA-N -1 3 362.389 2.576 20 30 FFEDHM Cc1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C#N ZINC000600905376 520522547 /nfs/dbraw/zinc/52/25/47/520522547.db2.gz JLNUCKQCPUKSIA-XMMPIXPASA-N -1 3 355.341 2.830 20 30 FFEDHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610083026 520532970 /nfs/dbraw/zinc/53/29/70/520532970.db2.gz AGGYLBSIJAXKTC-LLVKDONJSA-N -1 3 352.362 2.582 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c(F)c1 ZINC000610085416 520533637 /nfs/dbraw/zinc/53/36/37/520533637.db2.gz ODOSQELQUXIBTJ-UHFFFAOYSA-N -1 3 360.410 2.682 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c(C2CCC2)cnn1C ZINC000598323967 520557027 /nfs/dbraw/zinc/55/70/27/520557027.db2.gz RCYSKSSRRSSZHH-UHFFFAOYSA-N -1 3 367.453 2.526 20 30 FFEDHM COc1ccc2c(c1)OCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610265627 520611528 /nfs/dbraw/zinc/61/15/28/520611528.db2.gz DMCXVQHXRVREQS-OAHLLOKOSA-N -1 3 362.382 2.508 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1ccc(F)cc1 ZINC000610269745 520615890 /nfs/dbraw/zinc/61/58/90/520615890.db2.gz SROLJSQXIVHPTK-LLVKDONJSA-N -1 3 352.362 2.582 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000610366417 520652638 /nfs/dbraw/zinc/65/26/38/520652638.db2.gz AAUISJHBFWWTGR-CQSZACIVSA-N -1 3 351.406 2.570 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000598620993 520748908 /nfs/dbraw/zinc/74/89/08/520748908.db2.gz DFBVUBSENUMMAS-JTQLQIEISA-N -1 3 354.300 2.901 20 30 FFEDHM C=CCc1cc(C(=O)Nc2cnc(C(=O)OCC)[n-]2)cc(OC)c1OC ZINC000617871687 520764999 /nfs/dbraw/zinc/76/49/99/520764999.db2.gz FBWHNVHVBZIBPM-UHFFFAOYSA-N -1 3 359.382 2.584 20 30 FFEDHM C=CCc1cc(C(=O)Nc2c[n-]c(C(=O)OCC)n2)cc(OC)c1OC ZINC000617871687 520765005 /nfs/dbraw/zinc/76/50/05/520765005.db2.gz FBWHNVHVBZIBPM-UHFFFAOYSA-N -1 3 359.382 2.584 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc3n2CCCCC3)n1 ZINC000598670428 520778449 /nfs/dbraw/zinc/77/84/49/520778449.db2.gz ATTJKAJESGJTFD-LLVKDONJSA-N -1 3 358.423 2.733 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000614079695 520788354 /nfs/dbraw/zinc/78/83/54/520788354.db2.gz QVZSVQJTIHVTHE-CQSZACIVSA-N -1 3 374.890 2.972 20 30 FFEDHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611021814 520950793 /nfs/dbraw/zinc/95/07/93/520950793.db2.gz IMRDJHWLYUZIFD-MLGOLLRUSA-N -1 3 364.854 2.655 20 30 FFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000611113718 520991049 /nfs/dbraw/zinc/99/10/49/520991049.db2.gz GNXFBBGXJXJJHF-NSHDSACASA-N -1 3 361.261 2.674 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc2c1CCOC2 ZINC000601856446 520992084 /nfs/dbraw/zinc/99/20/84/520992084.db2.gz PLODXNUFVVPQNR-UHFFFAOYSA-N -1 3 365.433 2.597 20 30 FFEDHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593525957 521051237 /nfs/dbraw/zinc/05/12/37/521051237.db2.gz PLPHUGQDHDEIJW-UHFFFAOYSA-N -1 3 360.464 2.647 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)CCC(=O)N2 ZINC000593532327 521054090 /nfs/dbraw/zinc/05/40/90/521054090.db2.gz NUPZDPFJTPPLAX-JTQLQIEISA-N -1 3 361.448 2.544 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(F)c1 ZINC000593591378 521095590 /nfs/dbraw/zinc/09/55/90/521095590.db2.gz VKBIBGGKNQHGBI-UHFFFAOYSA-N -1 3 368.430 2.611 20 30 FFEDHM N#CC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000596495293 521099395 /nfs/dbraw/zinc/09/93/95/521099395.db2.gz SWTLARFQBNZJNO-LLVKDONJSA-N -1 3 352.232 2.990 20 30 FFEDHM COCCCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593599804 521100547 /nfs/dbraw/zinc/10/05/47/521100547.db2.gz WTWRRIJJKUEPNC-UHFFFAOYSA-N -1 3 366.464 2.514 20 30 FFEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000599333007 521159715 /nfs/dbraw/zinc/15/97/15/521159715.db2.gz ZJZICZBHTRJSBL-VHSXEESVSA-N -1 3 361.236 2.867 20 30 FFEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614922274 521195436 /nfs/dbraw/zinc/19/54/36/521195436.db2.gz YVVQSHPKZPJABN-UHFFFAOYSA-N -1 3 369.343 2.656 20 30 FFEDHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461731 521579181 /nfs/dbraw/zinc/57/91/81/521579181.db2.gz XQVQROGWHQEUQO-UHFFFAOYSA-N -1 3 371.462 2.699 20 30 FFEDHM CCc1[n-][nH]c(=NC(=O)c2cc(C#N)ccn2)c1-c1ccc2c(c1)OCO2 ZINC000499878311 561560475 /nfs/dbraw/zinc/56/04/75/561560475.db2.gz XRWQPKOEHKYSCS-UHFFFAOYSA-N -1 3 361.361 2.887 20 30 FFEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000622887766 556295832 /nfs/dbraw/zinc/29/58/32/556295832.db2.gz HLDLLYAKUAESCQ-SNVBAGLBSA-N -1 3 352.744 2.508 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC000601961027 567887228 /nfs/dbraw/zinc/88/72/28/567887228.db2.gz XVUPRHLTVUKHET-MRXNPFEDSA-N -1 3 365.480 2.716 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1c(Cl)cccc1Cl ZINC000737676766 598826017 /nfs/dbraw/zinc/82/60/17/598826017.db2.gz XMARJNRDAGFUMG-LBPRGKRZSA-N -1 3 374.191 2.563 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1c(Cl)cccc1Cl ZINC000737676766 598826018 /nfs/dbraw/zinc/82/60/18/598826018.db2.gz XMARJNRDAGFUMG-LBPRGKRZSA-N -1 3 374.191 2.563 20 30 FFEDHM N#Cc1cc(NC(=O)c2sccc2OC(F)F)ccc1-c1nnn[n-]1 ZINC000737708788 598926732 /nfs/dbraw/zinc/92/67/32/598926732.db2.gz HARBIKIIXOUJRB-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM N#Cc1cc(NC(=O)c2sccc2OC(F)F)ccc1-c1nn[n-]n1 ZINC000737708788 598926733 /nfs/dbraw/zinc/92/67/33/598926733.db2.gz HARBIKIIXOUJRB-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCOC2CCCCCC2)nc1N ZINC000737706313 598938865 /nfs/dbraw/zinc/93/88/65/598938865.db2.gz XBFQONIPROKNAE-UHFFFAOYSA-N -1 3 359.459 2.547 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCOC2CCCCCC2)nc1N ZINC000737706313 598938867 /nfs/dbraw/zinc/93/88/67/598938867.db2.gz XBFQONIPROKNAE-UHFFFAOYSA-N -1 3 359.459 2.547 20 30 FFEDHM COc1ccc(CC(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821786720 607254416 /nfs/dbraw/zinc/25/44/16/607254416.db2.gz IKJWGBYTTIECNA-UHFFFAOYSA-N -1 3 366.425 2.592 20 30 FFEDHM COc1ccc(CC(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821786720 607254417 /nfs/dbraw/zinc/25/44/17/607254417.db2.gz IKJWGBYTTIECNA-UHFFFAOYSA-N -1 3 366.425 2.592 20 30 FFEDHM C#CCOc1cccc([C@H](C)OC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735381593 599027354 /nfs/dbraw/zinc/02/73/54/599027354.db2.gz WGBIGROBIHWLDN-NSHDSACASA-N -1 3 354.391 2.858 20 30 FFEDHM Cc1c(NCc2nnc(-c3ccc(C#N)cc3)o2)cccc1-c1nnn[n-]1 ZINC000822122797 607257507 /nfs/dbraw/zinc/25/75/07/607257507.db2.gz QSOWORUTEGYSFE-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1c(NCc2nnc(-c3ccc(C#N)cc3)o2)cccc1-c1nn[n-]n1 ZINC000822122797 607257508 /nfs/dbraw/zinc/25/75/08/607257508.db2.gz QSOWORUTEGYSFE-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1c(C#N)cccc1NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822016089 607258083 /nfs/dbraw/zinc/25/80/83/607258083.db2.gz UZRDEJSDBLKUHC-UHFFFAOYSA-N -1 3 367.800 2.751 20 30 FFEDHM Cc1c(C#N)cccc1NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822016089 607258084 /nfs/dbraw/zinc/25/80/84/607258084.db2.gz UZRDEJSDBLKUHC-UHFFFAOYSA-N -1 3 367.800 2.751 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822825264 599071232 /nfs/dbraw/zinc/07/12/32/599071232.db2.gz AKMKMUKAVYKYAK-UHFFFAOYSA-N -1 3 363.278 2.903 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822825264 599071234 /nfs/dbraw/zinc/07/12/34/599071234.db2.gz AKMKMUKAVYKYAK-UHFFFAOYSA-N -1 3 363.278 2.903 20 30 FFEDHM O=C1C(=Cc2ccccc2-n2cncn2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505174 599114959 /nfs/dbraw/zinc/11/49/59/599114959.db2.gz YMASECLJHLZXDH-XNTDXEJSSA-N -1 3 369.388 2.660 20 30 FFEDHM O=C1C(=Cc2ccccc2-n2cncn2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505174 599114961 /nfs/dbraw/zinc/11/49/61/599114961.db2.gz YMASECLJHLZXDH-XNTDXEJSSA-N -1 3 369.388 2.660 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822497241 599116791 /nfs/dbraw/zinc/11/67/91/599116791.db2.gz ZBUVWJRCLHLVQA-FLIBITNWSA-N -1 3 354.801 2.775 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822497241 599116794 /nfs/dbraw/zinc/11/67/94/599116794.db2.gz ZBUVWJRCLHLVQA-FLIBITNWSA-N -1 3 354.801 2.775 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)CO2 ZINC000737116592 599155977 /nfs/dbraw/zinc/15/59/77/599155977.db2.gz UYKFQGUGRZYWOK-GHXNOFRVSA-N -1 3 364.361 2.543 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)CO2 ZINC000737116592 599155980 /nfs/dbraw/zinc/15/59/80/599155980.db2.gz UYKFQGUGRZYWOK-GHXNOFRVSA-N -1 3 364.361 2.543 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2cc(-c3ccccc3)on2)cc1-c1nnn[n-]1 ZINC000737716594 599192702 /nfs/dbraw/zinc/19/27/02/599192702.db2.gz SKHZGSNCIJSDQO-UHFFFAOYSA-N -1 3 371.360 2.575 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2cc(-c3ccccc3)on2)cc1-c1nn[n-]n1 ZINC000737716594 599192705 /nfs/dbraw/zinc/19/27/05/599192705.db2.gz SKHZGSNCIJSDQO-UHFFFAOYSA-N -1 3 371.360 2.575 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1-c1nnn[n-]1 ZINC000737716253 599195969 /nfs/dbraw/zinc/19/59/69/599195969.db2.gz NTXJVROMSVNGRB-UHFFFAOYSA-N -1 3 361.340 2.540 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1-c1nn[n-]n1 ZINC000737716253 599195971 /nfs/dbraw/zinc/19/59/71/599195971.db2.gz NTXJVROMSVNGRB-UHFFFAOYSA-N -1 3 361.340 2.540 20 30 FFEDHM C#CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735380347 599196196 /nfs/dbraw/zinc/19/61/96/599196196.db2.gz GCYGUWZUSMCSEG-UHFFFAOYSA-N -1 3 353.769 2.675 20 30 FFEDHM C=CCOc1ccc(OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819758996 599203845 /nfs/dbraw/zinc/20/38/45/599203845.db2.gz KISJZQNUCWXOTF-ZDUSSCGKSA-N -1 3 366.377 2.804 20 30 FFEDHM N#CCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737696434 599217889 /nfs/dbraw/zinc/21/78/89/599217889.db2.gz RCGUOWGXVTUTQW-UHFFFAOYSA-N -1 3 355.741 2.993 20 30 FFEDHM N#CCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737696434 599217890 /nfs/dbraw/zinc/21/78/90/599217890.db2.gz RCGUOWGXVTUTQW-UHFFFAOYSA-N -1 3 355.741 2.993 20 30 FFEDHM C#Cc1cccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000819709532 607298606 /nfs/dbraw/zinc/29/86/06/607298606.db2.gz IETZVVOIPJOEEW-UHFFFAOYSA-N -1 3 374.404 2.596 20 30 FFEDHM C#Cc1cccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000819709532 607298607 /nfs/dbraw/zinc/29/86/07/607298607.db2.gz IETZVVOIPJOEEW-UHFFFAOYSA-N -1 3 374.404 2.596 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819709487 599280163 /nfs/dbraw/zinc/28/01/63/599280163.db2.gz GPSFLYROCKUFIG-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819709487 599280166 /nfs/dbraw/zinc/28/01/66/599280166.db2.gz GPSFLYROCKUFIG-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000819740454 607325224 /nfs/dbraw/zinc/32/52/24/607325224.db2.gz ZWGWBBPXGFNFCS-UHFFFAOYSA-N -1 3 366.425 2.703 20 30 FFEDHM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000819740454 607325225 /nfs/dbraw/zinc/32/52/25/607325225.db2.gz ZWGWBBPXGFNFCS-UHFFFAOYSA-N -1 3 366.425 2.703 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000737065017 598316021 /nfs/dbraw/zinc/31/60/21/598316021.db2.gz GHCYNBGOHALOPI-SOFGYWHQSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000737065017 598316022 /nfs/dbraw/zinc/31/60/22/598316022.db2.gz GHCYNBGOHALOPI-SOFGYWHQSA-N -1 3 363.377 2.730 20 30 FFEDHM N#Cc1ccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737718131 598323467 /nfs/dbraw/zinc/32/34/67/598323467.db2.gz FQGSIPMADNYVHB-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM N#Cc1ccc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737718131 598323469 /nfs/dbraw/zinc/32/34/69/598323469.db2.gz FQGSIPMADNYVHB-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM N#Cc1ccc(CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737712749 598478214 /nfs/dbraw/zinc/47/82/14/598478214.db2.gz SELMFTUGYZBHKJ-UHFFFAOYSA-N -1 3 373.420 2.613 20 30 FFEDHM N#Cc1ccc(CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737712749 598478215 /nfs/dbraw/zinc/47/82/15/598478215.db2.gz SELMFTUGYZBHKJ-UHFFFAOYSA-N -1 3 373.420 2.613 20 30 FFEDHM C#CCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735382328 598558002 /nfs/dbraw/zinc/55/80/02/598558002.db2.gz YOEAKKKDVKQUNG-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM C#CCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735382328 598558003 /nfs/dbraw/zinc/55/80/03/598558003.db2.gz YOEAKKKDVKQUNG-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1F ZINC000737082725 598639122 /nfs/dbraw/zinc/63/91/22/598639122.db2.gz YPZNQDFLFDMPTB-FNORWQNLSA-N -1 3 367.384 2.967 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1F ZINC000737082725 598639123 /nfs/dbraw/zinc/63/91/23/598639123.db2.gz YPZNQDFLFDMPTB-FNORWQNLSA-N -1 3 367.384 2.967 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737511706 598641288 /nfs/dbraw/zinc/64/12/88/598641288.db2.gz MNHVRLGEEXCCOU-SREVYHEPSA-N -1 3 371.832 2.514 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737511706 598641289 /nfs/dbraw/zinc/64/12/89/598641289.db2.gz MNHVRLGEEXCCOU-SREVYHEPSA-N -1 3 371.832 2.514 20 30 FFEDHM CC(C)CN(CCC#N)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735827178 598684530 /nfs/dbraw/zinc/68/45/30/598684530.db2.gz HZPYGVMWNLBYPB-UHFFFAOYSA-N -1 3 370.457 2.814 20 30 FFEDHM CC(C)CN(CCC#N)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735827178 598684531 /nfs/dbraw/zinc/68/45/31/598684531.db2.gz HZPYGVMWNLBYPB-UHFFFAOYSA-N -1 3 370.457 2.814 20 30 FFEDHM C#CCOc1ccccc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735387583 598699488 /nfs/dbraw/zinc/69/94/88/598699488.db2.gz AICUICOPDOWMIZ-UHFFFAOYSA-N -1 3 350.378 2.727 20 30 FFEDHM CCn1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000736722548 598741646 /nfs/dbraw/zinc/74/16/46/598741646.db2.gz POJWQIMRDLZVGF-UHFFFAOYSA-N -1 3 350.308 2.548 20 30 FFEDHM CCn1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000736722548 598741648 /nfs/dbraw/zinc/74/16/48/598741648.db2.gz POJWQIMRDLZVGF-UHFFFAOYSA-N -1 3 350.308 2.548 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735416909 598754301 /nfs/dbraw/zinc/75/43/01/598754301.db2.gz TXLGGHKNWJIGJX-UHFFFAOYSA-N -1 3 354.458 2.874 20 30 FFEDHM COc1ccc(OC(F)F)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737107574 598789224 /nfs/dbraw/zinc/78/92/24/598789224.db2.gz CTPVKFBSGQNJFS-UHFFFAOYSA-N -1 3 360.324 2.923 20 30 FFEDHM COc1ccc(OC(F)F)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737107574 598789225 /nfs/dbraw/zinc/78/92/25/598789225.db2.gz CTPVKFBSGQNJFS-UHFFFAOYSA-N -1 3 360.324 2.923 20 30 FFEDHM C[C@@H](CC#N)NN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820219863 607373950 /nfs/dbraw/zinc/37/39/50/607373950.db2.gz KOTGXERDTIEZQS-AWEZNQCLSA-N -1 3 361.409 2.671 20 30 FFEDHM C[C@@H](CC#N)NN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820219863 607373952 /nfs/dbraw/zinc/37/39/52/607373952.db2.gz KOTGXERDTIEZQS-AWEZNQCLSA-N -1 3 361.409 2.671 20 30 FFEDHM C=CCCCN(C)C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000735413512 599467728 /nfs/dbraw/zinc/46/77/28/599467728.db2.gz VZTFZEXWFPKLKV-UHFFFAOYSA-N -1 3 360.487 2.704 20 30 FFEDHM C=CCCCN(C)C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000735413512 599467730 /nfs/dbraw/zinc/46/77/30/599467730.db2.gz VZTFZEXWFPKLKV-UHFFFAOYSA-N -1 3 360.487 2.704 20 30 FFEDHM C=CCCCN(C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000735413211 599491847 /nfs/dbraw/zinc/49/18/47/599491847.db2.gz PZRNFMYJLGTERI-UHFFFAOYSA-N -1 3 360.487 2.708 20 30 FFEDHM C=CCCCN(C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000735413211 599491849 /nfs/dbraw/zinc/49/18/49/599491849.db2.gz PZRNFMYJLGTERI-UHFFFAOYSA-N -1 3 360.487 2.708 20 30 FFEDHM CC(C)(C)CN(CCC#N)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819914099 599575337 /nfs/dbraw/zinc/57/53/37/599575337.db2.gz LCZHXYHKANGTLU-UHFFFAOYSA-N -1 3 366.429 2.678 20 30 FFEDHM CC(C)(C)CN(CCC#N)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819914099 599575338 /nfs/dbraw/zinc/57/53/38/599575338.db2.gz LCZHXYHKANGTLU-UHFFFAOYSA-N -1 3 366.429 2.678 20 30 FFEDHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820248986 599689398 /nfs/dbraw/zinc/68/93/98/599689398.db2.gz QJGSEANAWZAVKI-CYBMUJFWSA-N -1 3 362.393 2.782 20 30 FFEDHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820248986 599689399 /nfs/dbraw/zinc/68/93/99/599689399.db2.gz QJGSEANAWZAVKI-CYBMUJFWSA-N -1 3 362.393 2.782 20 30 FFEDHM C#CCOc1ccc(Br)cc1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000736076678 599859562 /nfs/dbraw/zinc/85/95/62/599859562.db2.gz SJQZDXCFGAYPAO-AWEZNQCLSA-N -1 3 367.243 2.693 20 30 FFEDHM N#Cc1ccccc1C=CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826386978 607424192 /nfs/dbraw/zinc/42/41/92/607424192.db2.gz APAGDAROCXKEDR-HJWRWDBZSA-N -1 3 356.389 2.557 20 30 FFEDHM N#Cc1ccccc1C=CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826386978 607424193 /nfs/dbraw/zinc/42/41/93/607424193.db2.gz APAGDAROCXKEDR-HJWRWDBZSA-N -1 3 356.389 2.557 20 30 FFEDHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(N2CCOCC2)c1 ZINC000832933879 601560714 /nfs/dbraw/zinc/56/07/14/601560714.db2.gz KAUFSUWCAKPQLO-HXUWFJFHSA-N -1 3 365.433 2.619 20 30 FFEDHM N#Cc1cc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)ccn1 ZINC000826383755 607549484 /nfs/dbraw/zinc/54/94/84/607549484.db2.gz ORQRSPYFAMKKNV-UHFFFAOYSA-N -1 3 370.376 2.933 20 30 FFEDHM C#CCN1CCC(C(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)CC1 ZINC000738462157 602358477 /nfs/dbraw/zinc/35/84/77/602358477.db2.gz WZPUUFKXUSOOSD-IBGZPJMESA-N -1 3 371.481 2.580 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2ccccc2CN(CC)C(=O)[O-])CC1 ZINC000738492417 603348828 /nfs/dbraw/zinc/34/88/28/603348828.db2.gz QTTVZIHSYJMRCK-UHFFFAOYSA-N -1 3 360.458 2.958 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826180284 607645480 /nfs/dbraw/zinc/64/54/80/607645480.db2.gz AFSZWWIYFJUSMS-BJMVGYQFSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826180284 607645482 /nfs/dbraw/zinc/64/54/82/607645482.db2.gz AFSZWWIYFJUSMS-BJMVGYQFSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C=C2Cc3c(cc(F)cc3F)C2=O)cc1-c1nnn[n-]1 ZINC000826191087 607681526 /nfs/dbraw/zinc/68/15/26/607681526.db2.gz WQMDXAZTGAYVRE-ONNFQVAWSA-N -1 3 354.316 2.976 20 30 FFEDHM COc1ccc(C=C2Cc3c(cc(F)cc3F)C2=O)cc1-c1nn[n-]n1 ZINC000826191087 607681528 /nfs/dbraw/zinc/68/15/28/607681528.db2.gz WQMDXAZTGAYVRE-ONNFQVAWSA-N -1 3 354.316 2.976 20 30 FFEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000833414938 605181018 /nfs/dbraw/zinc/18/10/18/605181018.db2.gz TUSKYHQYYDQSDU-OAHLLOKOSA-N -1 3 357.435 3.000 20 30 FFEDHM N#C[C@@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000822801943 606183698 /nfs/dbraw/zinc/18/36/98/606183698.db2.gz RYMCAUIOJFDYQC-OFAQMXQXSA-N -1 3 359.389 2.806 20 30 FFEDHM N#C[C@@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000822801943 606183699 /nfs/dbraw/zinc/18/36/99/606183699.db2.gz RYMCAUIOJFDYQC-OFAQMXQXSA-N -1 3 359.389 2.806 20 30 FFEDHM COc1cccc(C(C)=CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000821860026 606254989 /nfs/dbraw/zinc/25/49/89/606254989.db2.gz WHZMYLGUKBHIMF-XYOKQWHBSA-N -1 3 360.377 2.789 20 30 FFEDHM COc1cccc(C(C)=CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000821860026 606254991 /nfs/dbraw/zinc/25/49/91/606254991.db2.gz WHZMYLGUKBHIMF-XYOKQWHBSA-N -1 3 360.377 2.789 20 30 FFEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cn2)cc1 ZINC000822833357 606268786 /nfs/dbraw/zinc/26/87/86/606268786.db2.gz OLQYVYBLCSYGRE-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cn2)cc1 ZINC000822833357 606268787 /nfs/dbraw/zinc/26/87/87/606268787.db2.gz OLQYVYBLCSYGRE-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000822805735 606301769 /nfs/dbraw/zinc/30/17/69/606301769.db2.gz BKMIEQWGYIDNSN-ACJLOTCBSA-N -1 3 358.405 2.956 20 30 FFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000822805735 606301771 /nfs/dbraw/zinc/30/17/71/606301771.db2.gz BKMIEQWGYIDNSN-ACJLOTCBSA-N -1 3 358.405 2.956 20 30 FFEDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1C#N ZINC000820556601 606328825 /nfs/dbraw/zinc/32/88/25/606328825.db2.gz USRXZZBZRCRWSW-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1C#N ZINC000820556601 606328827 /nfs/dbraw/zinc/32/88/27/606328827.db2.gz USRXZZBZRCRWSW-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000822802008 606445534 /nfs/dbraw/zinc/44/55/34/606445534.db2.gz UDIUWFMPFMARCY-GJZGRUSLSA-N -1 3 364.434 2.840 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000822802008 606445536 /nfs/dbraw/zinc/44/55/36/606445536.db2.gz UDIUWFMPFMARCY-GJZGRUSLSA-N -1 3 364.434 2.840 20 30 FFEDHM CC(C)CN(C(=O)Cc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081526 606504521 /nfs/dbraw/zinc/50/45/21/606504521.db2.gz KGURWWDESQIABF-UHFFFAOYSA-N -1 3 360.421 2.970 20 30 FFEDHM CC(C)CN(C(=O)Cc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081526 606504523 /nfs/dbraw/zinc/50/45/23/606504523.db2.gz KGURWWDESQIABF-UHFFFAOYSA-N -1 3 360.421 2.970 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820122039 606504858 /nfs/dbraw/zinc/50/48/58/606504858.db2.gz XWZXEUSOIOEXGL-UHFFFAOYSA-N -1 3 360.421 2.718 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820122039 606504859 /nfs/dbraw/zinc/50/48/59/606504859.db2.gz XWZXEUSOIOEXGL-UHFFFAOYSA-N -1 3 360.421 2.718 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)c1C ZINC000819758671 606564817 /nfs/dbraw/zinc/56/48/17/606564817.db2.gz FIDNSPPNHYYZDS-UHFFFAOYSA-N -1 3 371.422 2.572 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)c1C ZINC000819758671 606564818 /nfs/dbraw/zinc/56/48/18/606564818.db2.gz FIDNSPPNHYYZDS-UHFFFAOYSA-N -1 3 371.422 2.572 20 30 FFEDHM COc1cccc([C@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000821859509 606603852 /nfs/dbraw/zinc/60/38/52/606603852.db2.gz PCNRGSNUSXIFOT-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1cccc([C@H](C)CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000821859509 606603854 /nfs/dbraw/zinc/60/38/54/606603854.db2.gz PCNRGSNUSXIFOT-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM N#Cc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000822825431 606759534 /nfs/dbraw/zinc/75/95/34/606759534.db2.gz FOYKTPPXYVXDMA-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000822825431 606759536 /nfs/dbraw/zinc/75/95/36/606759536.db2.gz FOYKTPPXYVXDMA-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM CC(Cn1nc(C)cc1C)=NOCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820306666 606837007 /nfs/dbraw/zinc/83/70/07/606837007.db2.gz BOITWQFWNKWQGO-UHFFFAOYSA-N -1 3 369.429 2.542 20 30 FFEDHM CC(Cn1nc(C)cc1C)=NOCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820306666 606837009 /nfs/dbraw/zinc/83/70/09/606837009.db2.gz BOITWQFWNKWQGO-UHFFFAOYSA-N -1 3 369.429 2.542 20 30 FFEDHM C=CCC(CC=C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000819734056 606918136 /nfs/dbraw/zinc/91/81/36/606918136.db2.gz HFEFLJYJRDNSKC-UHFFFAOYSA-N -1 3 357.483 2.985 20 30 FFEDHM C=CCC(CC=C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000819734056 606918138 /nfs/dbraw/zinc/91/81/38/606918138.db2.gz HFEFLJYJRDNSKC-UHFFFAOYSA-N -1 3 357.483 2.985 20 30 FFEDHM COc1cc(C#N)ccc1OCCOc1cc(-c2nnn[n-]2)ccc1C ZINC000821703015 607031694 /nfs/dbraw/zinc/03/16/94/607031694.db2.gz KYRLHVQPKCTVLU-UHFFFAOYSA-N -1 3 351.366 2.513 20 30 FFEDHM COc1cc(C#N)ccc1OCCOc1cc(-c2nn[n-]n2)ccc1C ZINC000821703015 607031695 /nfs/dbraw/zinc/03/16/95/607031695.db2.gz KYRLHVQPKCTVLU-UHFFFAOYSA-N -1 3 351.366 2.513 20 30 FFEDHM N#Cc1ccc(F)cc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822830086 607088019 /nfs/dbraw/zinc/08/80/19/607088019.db2.gz UFTZKNVTAQZNEL-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1ccc(F)cc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822830086 607088020 /nfs/dbraw/zinc/08/80/20/607088020.db2.gz UFTZKNVTAQZNEL-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM COc1ccc(CCNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000821790786 607149242 /nfs/dbraw/zinc/14/92/42/607149242.db2.gz UCQYYKOFGPJOOI-UHFFFAOYSA-N -1 3 361.409 2.523 20 30 FFEDHM COc1ccc(CCNN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000821790786 607149244 /nfs/dbraw/zinc/14/92/44/607149244.db2.gz UCQYYKOFGPJOOI-UHFFFAOYSA-N -1 3 361.409 2.523 20 30 FFEDHM N#CCOc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822814544 607242378 /nfs/dbraw/zinc/24/23/78/607242378.db2.gz ITKLTNBMGQNAKK-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM N#CCOc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822814544 607242379 /nfs/dbraw/zinc/24/23/79/607242379.db2.gz ITKLTNBMGQNAKK-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM C#CC[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823837279 607964068 /nfs/dbraw/zinc/96/40/68/607964068.db2.gz AEVIMIPASDONGB-HNNXBMFYSA-N -1 3 353.332 2.639 20 30 FFEDHM C#CC[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823837279 607964069 /nfs/dbraw/zinc/96/40/69/607964069.db2.gz AEVIMIPASDONGB-HNNXBMFYSA-N -1 3 353.332 2.639 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823953707 608093327 /nfs/dbraw/zinc/09/33/27/608093327.db2.gz MOOXPYXGFHAVNJ-UHFFFAOYSA-N -1 3 357.296 2.716 20 30 FFEDHM C=CCOc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000823931608 608534559 /nfs/dbraw/zinc/53/45/59/608534559.db2.gz BCULNONLMBLCLI-UHFFFAOYSA-N -1 3 355.789 2.926 20 30 FFEDHM C=CCOc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000823931608 608534561 /nfs/dbraw/zinc/53/45/61/608534561.db2.gz BCULNONLMBLCLI-UHFFFAOYSA-N -1 3 355.789 2.926 20 30 FFEDHM COc1cc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1F ZINC000826177836 608539017 /nfs/dbraw/zinc/53/90/17/608539017.db2.gz XKDXALKKAXQZOX-UHFFFAOYSA-N -1 3 361.768 2.899 20 30 FFEDHM COc1cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1F ZINC000826177836 608539018 /nfs/dbraw/zinc/53/90/18/608539018.db2.gz XKDXALKKAXQZOX-UHFFFAOYSA-N -1 3 361.768 2.899 20 30 FFEDHM Fc1cccc2c1OCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826378125 608541650 /nfs/dbraw/zinc/54/16/50/608541650.db2.gz WGOSNDPDAFHAPK-UHFFFAOYSA-N -1 3 359.752 2.653 20 30 FFEDHM C=CCN(Cc1cnc2nc(C)cc(C)n12)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915101 608632441 /nfs/dbraw/zinc/63/24/41/608632441.db2.gz RZFTWEFENMHRJO-UHFFFAOYSA-N -1 3 374.452 2.714 20 30 FFEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824394181 608750310 /nfs/dbraw/zinc/75/03/10/608750310.db2.gz WEWVHTCNOSMDDH-LBPRGKRZSA-N -1 3 373.461 2.636 20 30 FFEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824394181 608750314 /nfs/dbraw/zinc/75/03/14/608750314.db2.gz WEWVHTCNOSMDDH-LBPRGKRZSA-N -1 3 373.461 2.636 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C#N)c2n1CCC2 ZINC000826234279 608879496 /nfs/dbraw/zinc/87/94/96/608879496.db2.gz ORKKAELKDBTDGA-ALCCZGGFSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C#N)c2n1CCC2 ZINC000826234279 608879497 /nfs/dbraw/zinc/87/94/97/608879497.db2.gz ORKKAELKDBTDGA-ALCCZGGFSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C#N)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234099 608879523 /nfs/dbraw/zinc/87/95/23/608879523.db2.gz IDUXPDHXHAUANO-ALCCZGGFSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C#N)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234099 608879526 /nfs/dbraw/zinc/87/95/26/608879526.db2.gz IDUXPDHXHAUANO-ALCCZGGFSA-N -1 3 362.368 2.830 20 30 FFEDHM CC(N=Nc1ncnc2ccsc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962912 609160961 /nfs/dbraw/zinc/16/09/61/609160961.db2.gz RIHORHOTVARDGK-UHFFFAOYSA-N -1 3 354.374 2.847 20 30 FFEDHM CC(N=Nc1ncnc2ccsc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962912 609160963 /nfs/dbraw/zinc/16/09/63/609160963.db2.gz RIHORHOTVARDGK-UHFFFAOYSA-N -1 3 354.374 2.847 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826163384 609271790 /nfs/dbraw/zinc/27/17/90/609271790.db2.gz RWEIOXVXZKCXNO-VQHVLOKHSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826163384 609271791 /nfs/dbraw/zinc/27/17/91/609271791.db2.gz RWEIOXVXZKCXNO-VQHVLOKHSA-N -1 3 368.368 2.927 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953839 609273462 /nfs/dbraw/zinc/27/34/62/609273462.db2.gz RYUMHQFMCJGJKA-UHFFFAOYSA-N -1 3 373.392 2.856 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953839 609273464 /nfs/dbraw/zinc/27/34/64/609273464.db2.gz RYUMHQFMCJGJKA-UHFFFAOYSA-N -1 3 373.392 2.856 20 30 FFEDHM N#Cc1ccccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826387337 609279578 /nfs/dbraw/zinc/27/95/78/609279578.db2.gz QDWFJNIIJAWLRO-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824033751 609375073 /nfs/dbraw/zinc/37/50/73/609375073.db2.gz AHGWGCVSOFTBRW-ZDUSSCGKSA-N -1 3 362.393 2.891 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824033751 609375076 /nfs/dbraw/zinc/37/50/76/609375076.db2.gz AHGWGCVSOFTBRW-ZDUSSCGKSA-N -1 3 362.393 2.891 20 30 FFEDHM C#CCCCCCC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823841383 609641864 /nfs/dbraw/zinc/64/18/64/609641864.db2.gz MAWGFIGRUPVFGR-UHFFFAOYSA-N -1 3 366.381 2.544 20 30 FFEDHM C#CCCCCCC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823841383 609641865 /nfs/dbraw/zinc/64/18/65/609641865.db2.gz MAWGFIGRUPVFGR-UHFFFAOYSA-N -1 3 366.381 2.544 20 30 FFEDHM C=C(C)CCOC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744305286 735347142 /nfs/dbraw/zinc/34/71/42/735347142.db2.gz XKISJJCUSNCBTK-HNNXBMFYSA-N -1 3 364.467 2.793 20 30 FFEDHM COC(=O)C[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000018137957 727830059 /nfs/dbraw/zinc/83/00/59/727830059.db2.gz XPPXDHADWKUOEJ-BCUFPXHISA-N -1 3 362.813 2.965 20 30 FFEDHM Cc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000113653394 728556394 /nfs/dbraw/zinc/55/63/94/728556394.db2.gz PGMWGNORMFDTMZ-LBPRGKRZSA-N -1 3 351.193 2.997 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000134607721 728731344 /nfs/dbraw/zinc/73/13/44/728731344.db2.gz KINWJVYLWTZBRJ-KRWDZBQOSA-N -1 3 351.468 2.579 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C)ccc1F ZINC000172661945 729030218 /nfs/dbraw/zinc/03/02/18/729030218.db2.gz TVKAVRLCKUHQMS-OLZOCXBDSA-N -1 3 354.447 2.551 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)ccc1F ZINC000178288998 729158850 /nfs/dbraw/zinc/15/88/50/729158850.db2.gz AQWMDFASRQJNOQ-GJZGRUSLSA-N -1 3 366.458 2.552 20 30 FFEDHM C#CCn1ccc(CN(CC)C(=O)c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000857196715 730384504 /nfs/dbraw/zinc/38/45/04/730384504.db2.gz RRGBAGHGEOABMI-UHFFFAOYSA-N -1 3 351.328 2.903 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000857373812 730394117 /nfs/dbraw/zinc/39/41/17/730394117.db2.gz FVKUPQIVTSZMFL-LLVKDONJSA-N -1 3 356.253 2.908 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)nc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865363219 730946450 /nfs/dbraw/zinc/94/64/50/730946450.db2.gz KTAAVQYEWBAOGX-UHFFFAOYSA-N -1 3 368.340 2.833 20 30 FFEDHM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000870135721 731473438 /nfs/dbraw/zinc/47/34/38/731473438.db2.gz DJXSYZKCDXYYSI-TZMCWYRMSA-N -1 3 355.419 2.917 20 30 FFEDHM O=C(Nc1cccc(C2SCCS2)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878086790 732480316 /nfs/dbraw/zinc/48/03/16/732480316.db2.gz BNYBDHVNHVISMA-GFCCVEGCSA-N -1 3 353.469 2.667 20 30 FFEDHM Cc1cc(Br)c([O-])c(CN=Nc2ncnc3c2cnn3C)c1 ZINC000781589438 738639293 /nfs/dbraw/zinc/63/92/93/738639293.db2.gz LMYPRHWRHMZNTP-UHFFFAOYSA-N -1 3 361.203 2.586 20 30 FFEDHM COc1cc(C(=O)/C=C/c2c(Br)cnn2C)c(OC)cc1[O-] ZINC000782348428 738712269 /nfs/dbraw/zinc/71/22/69/738712269.db2.gz RCAURPQGETYIDS-SNAWJCMRSA-N -1 3 367.199 2.802 20 30 FFEDHM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(F)ccc1[O-] ZINC000726424077 734422954 /nfs/dbraw/zinc/42/29/54/734422954.db2.gz UHFQJDVCJPPWKC-UHFFFAOYSA-N -1 3 363.414 2.808 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)c1 ZINC000728766822 734542859 /nfs/dbraw/zinc/54/28/59/734542859.db2.gz MAFNCGJFINKJPS-AWEZNQCLSA-N -1 3 356.403 2.791 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3(SC)CC3)no2)ccc1F ZINC000896787192 735183464 /nfs/dbraw/zinc/18/34/64/735183464.db2.gz IWMGOHRVFHVCLI-UHFFFAOYSA-N -1 3 369.443 2.692 20 30 FFEDHM CCC[C@H](C)OC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000748101490 735617439 /nfs/dbraw/zinc/61/74/39/735617439.db2.gz GUUNWENUUVOHFA-ZFWWWQNUSA-N -1 3 366.483 2.872 20 30 FFEDHM O=C([C@H]1CCCCS1(=O)=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379028 735772398 /nfs/dbraw/zinc/77/23/98/735772398.db2.gz OUGOKFDIQDMHJA-GFCCVEGCSA-N -1 3 352.239 2.679 20 30 FFEDHM Cc1nn(C)c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000901380185 735772423 /nfs/dbraw/zinc/77/24/23/735772423.db2.gz OCGIUDHYAFRWBP-UHFFFAOYSA-N -1 3 359.169 2.975 20 30 FFEDHM O=C(CON=C(c1ccccc1)C(F)(F)F)[N-]C(=O)c1cccs1 ZINC000751955835 735940484 /nfs/dbraw/zinc/94/04/84/735940484.db2.gz VKSCFOLIVVPONV-UHFFFAOYSA-N -1 3 356.325 2.988 20 30 FFEDHM C#C[C@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000754394388 736156081 /nfs/dbraw/zinc/15/60/81/736156081.db2.gz YWODYDNSHSQCOC-CQSZACIVSA-N -1 3 360.410 2.768 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1F ZINC000754697499 736189348 /nfs/dbraw/zinc/18/93/48/736189348.db2.gz NUBGAMHPYLLIRO-UMVBOHGHSA-N -1 3 368.474 2.845 20 30 FFEDHM O=C(c1cn(C[C@@H]2CCOC2)nn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178595 736230632 /nfs/dbraw/zinc/23/06/32/736230632.db2.gz PASJMLSNHDVFSF-JTQLQIEISA-N -1 3 371.224 2.653 20 30 FFEDHM [O-]c1ccc(CN=Nc2nc(Br)cn3ccnc23)cc1F ZINC000755758081 736276773 /nfs/dbraw/zinc/27/67/73/736276773.db2.gz MTWRITIVVNWAPT-UHFFFAOYSA-N -1 3 350.151 2.783 20 30 FFEDHM O=[N+]([O-])c1ccc(N=NCc2cc(O)c([O-])c(Br)c2)nc1 ZINC000757578233 736411320 /nfs/dbraw/zinc/41/13/20/736411320.db2.gz LQYIACFZSJWQCQ-UHFFFAOYSA-N -1 3 353.132 2.610 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(CC)CCCC2)ccc1F ZINC000760719165 736663092 /nfs/dbraw/zinc/66/30/92/736663092.db2.gz LFYLHYYOXZHQNB-UHFFFAOYSA-N -1 3 368.474 2.990 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908885124 736851988 /nfs/dbraw/zinc/85/19/88/736851988.db2.gz RATODBBVNUWOJP-BMFZPTHFSA-N -1 3 365.861 2.717 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908885128 736852217 /nfs/dbraw/zinc/85/22/17/736852217.db2.gz RATODBBVNUWOJP-BPUTZDHNSA-N -1 3 365.861 2.717 20 30 FFEDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(C#N)c(C)c2)c1C ZINC000766178914 737203136 /nfs/dbraw/zinc/20/31/36/737203136.db2.gz MIJCWNARFKYUOM-UHFFFAOYSA-N -1 3 362.407 2.756 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCCCC)ccc1F ZINC000914456873 737579805 /nfs/dbraw/zinc/57/98/05/737579805.db2.gz FPDDTXWSDWYVGY-CYBMUJFWSA-N -1 3 356.463 2.989 20 30 FFEDHM O=C1Nc2ccc([N+](=O)[O-])cc2C1=N[N-]c1ncccc1C(F)(F)F ZINC000915051369 737604338 /nfs/dbraw/zinc/60/43/38/737604338.db2.gz QVKBRLQDZRNOBM-UHFFFAOYSA-N -1 3 351.244 2.777 20 30 FFEDHM COc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1C#N ZINC000770513838 737634330 /nfs/dbraw/zinc/63/43/30/737634330.db2.gz HHSCFKJCINMXSL-UHFFFAOYSA-N -1 3 361.423 2.559 20 30 FFEDHM Oc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000916320763 737696749 /nfs/dbraw/zinc/69/67/49/737696749.db2.gz JALVXHIDOOYKEI-OAHLLOKOSA-N -1 3 354.391 2.667 20 30 FFEDHM N#CCc1ccc(CS(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000921317964 737959952 /nfs/dbraw/zinc/95/99/52/737959952.db2.gz MKPUJXJNSHSBPV-SJLPKXTDSA-N -1 3 360.410 2.644 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C(F)F)n2)cc1Cl ZINC000776076276 738158970 /nfs/dbraw/zinc/15/89/70/738158970.db2.gz DUMIZTZGHNQGFE-VIFPVBQESA-N -1 3 368.727 2.901 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccncc1 ZINC000778624101 738399481 /nfs/dbraw/zinc/39/94/81/738399481.db2.gz IBUYROGKKCQOPB-CYBMUJFWSA-N -1 3 364.423 2.619 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(C)F ZINC000785925657 739010968 /nfs/dbraw/zinc/01/09/68/739010968.db2.gz WJZDYKUKWIJPPD-CYBMUJFWSA-N -1 3 370.446 2.575 20 30 FFEDHM N#Cc1ccc([C@H](OC(=O)c2cc3sccc3c([O-])c2)C(N)=O)cc1 ZINC000786139791 739028205 /nfs/dbraw/zinc/02/82/05/739028205.db2.gz JRAZIWBFZAARLP-INIZCTEOSA-N -1 3 352.371 2.862 20 30 FFEDHM COc1ccc(CN=Nc2nc3ccccn3n2)c(Br)c1[O-] ZINC000790193747 739425298 /nfs/dbraw/zinc/42/52/98/739425298.db2.gz LENVMEBZJYKRJZ-UHFFFAOYSA-N -1 3 362.187 2.652 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C)c1SC ZINC000791772101 739601247 /nfs/dbraw/zinc/60/12/47/739601247.db2.gz WJQJOBPKYMDNKG-LLVKDONJSA-N -1 3 358.423 2.502 20 30 FFEDHM Cc1cc(C)nc(N=NCc2c(Br)n[n-]c2Br)n1 ZINC000792867457 739713949 /nfs/dbraw/zinc/71/39/49/739713949.db2.gz VRJHCQLEZFKKSF-UHFFFAOYSA-N -1 3 374.040 2.788 20 30 FFEDHM CCCCCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc2c(c1)CCO2 ZINC000799800013 740453643 /nfs/dbraw/zinc/45/36/43/740453643.db2.gz YWKPZCCQNXLCKG-KRWDZBQOSA-N -1 3 369.483 2.725 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccccc1OCc1ccccc1Cl ZINC000816692753 742053417 /nfs/dbraw/zinc/05/34/17/742053417.db2.gz VGJSICWHKGLBBN-OAHLLOKOSA-N -1 3 360.797 2.639 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000816695749 742053910 /nfs/dbraw/zinc/05/39/10/742053910.db2.gz KCQLGUGZAGWGHL-SNVBAGLBSA-N -1 3 359.432 2.745 20 30 FFEDHM O=C(CCCOc1cccc(Cl)c1Cl)N[C@H]1CCCN([O-])C1=O ZINC000816754153 742059150 /nfs/dbraw/zinc/05/91/50/742059150.db2.gz YCAMYRKGAHTDLD-NSHDSACASA-N -1 3 361.225 2.649 20 30 FFEDHM CC1(C)Cc2cc(C(=O)N[C@@H]3CCN([O-])C3=O)sc2-c2ccccc21 ZINC000820179136 742471217 /nfs/dbraw/zinc/47/12/17/742471217.db2.gz GOMQINLZRJLMDW-CQSZACIVSA-N -1 3 356.447 2.969 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1ncc(C#N)cc1Cl ZINC001043064048 743130071 /nfs/dbraw/zinc/13/00/71/743130071.db2.gz IMWFDFPKQZUZSB-IAQYHMDHSA-N -1 3 356.813 2.885 20 30 FFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000832417533 745695412 /nfs/dbraw/zinc/69/54/12/745695412.db2.gz HLRADUBYRUYXAE-CHWSQXEVSA-N -1 3 358.182 2.838 20 30 FFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Br)cc1 ZINC000833231644 745780508 /nfs/dbraw/zinc/78/05/08/745780508.db2.gz YOVPCVKIUKXXMN-GFCCVEGCSA-N -1 3 358.182 2.790 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)ccc1F ZINC000839444706 746829503 /nfs/dbraw/zinc/82/95/03/746829503.db2.gz JBHHNEQKYZPVON-GXTWGEPZSA-N -1 3 366.414 2.529 20 30 FFEDHM C[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000842290841 747564792 /nfs/dbraw/zinc/56/47/92/747564792.db2.gz TWMKBCSFBFCMFJ-WDEREUQCSA-N -1 3 350.802 2.965 20 30 FFEDHM C=C(C)CO[N-]C(=O)CCOc1ccccc1I ZINC000846535302 748498346 /nfs/dbraw/zinc/49/83/46/748498346.db2.gz XAFMAUWKBCUXFZ-UHFFFAOYSA-N -1 3 361.179 2.684 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccc(Br)cc2s1 ZINC000848132257 748850175 /nfs/dbraw/zinc/85/01/75/748850175.db2.gz PCUOVRWBWVRVHT-JTQLQIEISA-N -1 3 369.240 2.774 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000050821943 845208565 /nfs/dbraw/zinc/20/85/65/845208565.db2.gz PNTQYQIXRXBOMW-UHFFFAOYSA-N -1 3 361.379 2.509 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)CC1 ZINC000908945275 939360767 /nfs/dbraw/zinc/36/07/67/939360767.db2.gz DRLLJSXWIZUPAJ-SFHVURJKSA-N -1 3 359.470 2.769 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823903550 946510096 /nfs/dbraw/zinc/51/00/96/946510096.db2.gz CTXMILBIPMCIRP-UHFFFAOYSA-N -1 3 356.361 2.861 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823903550 946510105 /nfs/dbraw/zinc/51/01/05/946510105.db2.gz CTXMILBIPMCIRP-UHFFFAOYSA-N -1 3 356.361 2.861 20 30 FFEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)C1CCC1 ZINC001573283031 946704588 /nfs/dbraw/zinc/70/45/88/946704588.db2.gz QQJNCFJGAZCHTM-UHFFFAOYSA-N -1 3 362.441 2.527 20 30 FFEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)C1CCC1 ZINC001573283031 946704595 /nfs/dbraw/zinc/70/45/95/946704595.db2.gz QQJNCFJGAZCHTM-UHFFFAOYSA-N -1 3 362.441 2.527 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)CCNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573297665 947063149 /nfs/dbraw/zinc/06/31/49/947063149.db2.gz JLZPOYFPTIPRLP-LBPRGKRZSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573297665 947063159 /nfs/dbraw/zinc/06/31/59/947063159.db2.gz JLZPOYFPTIPRLP-LBPRGKRZSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573306340 947172233 /nfs/dbraw/zinc/17/22/33/947172233.db2.gz KHJOEONAWJVHPS-UHFFFAOYSA-N -1 3 358.446 2.667 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573306340 947172240 /nfs/dbraw/zinc/17/22/40/947172240.db2.gz KHJOEONAWJVHPS-UHFFFAOYSA-N -1 3 358.446 2.667 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573307198 947179342 /nfs/dbraw/zinc/17/93/42/947179342.db2.gz QNZFDHLQZFXOJZ-UHFFFAOYSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573307198 947179348 /nfs/dbraw/zinc/17/93/48/947179348.db2.gz QNZFDHLQZFXOJZ-UHFFFAOYSA-N -1 3 358.421 2.669 20 30 FFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000825560567 947220122 /nfs/dbraw/zinc/22/01/22/947220122.db2.gz RWAKEUXPOXALET-QPJJXVBHSA-N -1 3 356.313 2.672 20 30 FFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000825560567 947220125 /nfs/dbraw/zinc/22/01/25/947220125.db2.gz RWAKEUXPOXALET-QPJJXVBHSA-N -1 3 356.313 2.672 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573314911 947240556 /nfs/dbraw/zinc/24/05/56/947240556.db2.gz HVJHUJXGLMZBTC-CYBMUJFWSA-N -1 3 374.876 2.771 20 30 FFEDHM C=CC[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N)c1ccccc1 ZINC001573319123 947326168 /nfs/dbraw/zinc/32/61/68/947326168.db2.gz KHERNMJAVRMNSA-LBPRGKRZSA-N -1 3 352.373 2.886 20 30 FFEDHM C=CC[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001573319123 947326174 /nfs/dbraw/zinc/32/61/74/947326174.db2.gz KHERNMJAVRMNSA-LBPRGKRZSA-N -1 3 352.373 2.886 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573319505 947332148 /nfs/dbraw/zinc/33/21/48/947332148.db2.gz OSMWOVDPFWNHQK-ZDUSSCGKSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573319505 947332162 /nfs/dbraw/zinc/33/21/62/947332162.db2.gz OSMWOVDPFWNHQK-ZDUSSCGKSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCC(F)(F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001573326823 947381813 /nfs/dbraw/zinc/38/18/13/947381813.db2.gz WWOAIGLRSCLCSE-UHFFFAOYSA-N -1 3 358.146 2.779 20 30 FFEDHM C=CCC(F)(F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001573326823 947381827 /nfs/dbraw/zinc/38/18/27/947381827.db2.gz WWOAIGLRSCLCSE-UHFFFAOYSA-N -1 3 358.146 2.779 20 30 FFEDHM COCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826163114 947510810 /nfs/dbraw/zinc/51/08/10/947510810.db2.gz HDCVDNNNXHJMTO-YVMONPNESA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826163114 947510820 /nfs/dbraw/zinc/51/08/20/947510820.db2.gz HDCVDNNNXHJMTO-YVMONPNESA-N -1 3 368.368 2.927 20 30 FFEDHM C=CCOc1ccc(CNC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)cc1 ZINC001573348012 947579956 /nfs/dbraw/zinc/57/99/56/947579956.db2.gz LHGGKNOLNJMXMH-UHFFFAOYSA-N -1 3 363.421 2.978 20 30 FFEDHM C=CCOc1ccc(CNC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC001573348012 947579968 /nfs/dbraw/zinc/57/99/68/947579968.db2.gz LHGGKNOLNJMXMH-UHFFFAOYSA-N -1 3 363.421 2.978 20 30 FFEDHM Cc1cc(C(=O)OCC2(C#N)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826261080 947756108 /nfs/dbraw/zinc/75/61/08/947756108.db2.gz PVMLTTXAGALXRW-UHFFFAOYSA-N -1 3 362.393 2.735 20 30 FFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)COc2c(F)ccc(F)c21 ZINC000826475748 948377062 /nfs/dbraw/zinc/37/70/62/948377062.db2.gz PBMSDTPTDMMKIC-BJMVGYQFSA-N -1 3 358.279 2.943 20 30 FFEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)COc2c(F)ccc(F)c21 ZINC000826475748 948377069 /nfs/dbraw/zinc/37/70/69/948377069.db2.gz PBMSDTPTDMMKIC-BJMVGYQFSA-N -1 3 358.279 2.943 20 30 FFEDHM C=C(C)CN1C[C@@]2(F)CN(Cc3ccc(Cl)cc3[O-])C[C@@]2(F)C1=O ZINC001275896364 1013157780 /nfs/dbraw/zinc/15/77/80/1013157780.db2.gz YHWCNNLBCKJLOY-DLBZAZTESA-N -1 3 356.800 2.696 20 30 FFEDHM CCn1c2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2[nH]c1=O ZINC000654972193 959221782 /nfs/dbraw/zinc/22/17/82/959221782.db2.gz HJAGMZBMDGFHOZ-CYBMUJFWSA-N -1 3 364.409 2.570 20 30 FFEDHM CCOc1ccccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000007674075 1013197437 /nfs/dbraw/zinc/19/74/37/1013197437.db2.gz BCPWQLYKSAXQAZ-UHFFFAOYSA-N -1 3 354.406 2.938 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccncc1)C1CC1 ZINC000890922311 961038705 /nfs/dbraw/zinc/03/87/05/961038705.db2.gz VBLGARURZJCBDP-LJQANCHMSA-N -1 3 350.422 2.871 20 30 FFEDHM COc1ccc(F)cc1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000894512910 965432772 /nfs/dbraw/zinc/43/27/72/965432772.db2.gz LRRJYNCAZADGJS-UHFFFAOYSA-N -1 3 371.412 2.715 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCc2c(C)n[nH]c2C)c(C)c1[O-] ZINC001177039341 1013836205 /nfs/dbraw/zinc/83/62/05/1013836205.db2.gz DTFUWMRZULTCAQ-UHFFFAOYSA-N -1 3 370.409 2.660 20 30 FFEDHM Cc1csc([C@@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)n1 ZINC000874489747 1013843272 /nfs/dbraw/zinc/84/32/72/1013843272.db2.gz UYTZPIUDEDCVAK-CQSZACIVSA-N -1 3 370.478 2.989 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000122213486 969834041 /nfs/dbraw/zinc/83/40/41/969834041.db2.gz IGOITFYOABBYDD-MRXNPFEDSA-N -1 3 373.416 2.559 20 30 FFEDHM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001271434929 973000554 /nfs/dbraw/zinc/00/05/54/973000554.db2.gz ZASJMCADOGWFKS-UHFFFAOYSA-N -1 3 358.438 2.519 20 30 FFEDHM Cc1ccc2c(n1)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000876491259 1014285069 /nfs/dbraw/zinc/28/50/69/1014285069.db2.gz WAAHWBQJZOOTGO-UHFFFAOYSA-N -1 3 350.422 2.891 20 30 FFEDHM O=C(C1C[C@H]2CC[C@@H](C1)S2)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904187133 980204607 /nfs/dbraw/zinc/20/46/07/980204607.db2.gz GXIUYPJXKGQAFK-AGUYFDCRSA-N -1 3 374.462 2.565 20 30 FFEDHM CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000878304952 1014977075 /nfs/dbraw/zinc/97/70/75/1014977075.db2.gz SNVGUIWOXWCVQQ-MRXNPFEDSA-N -1 3 371.441 2.557 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000172592225 985605462 /nfs/dbraw/zinc/60/54/62/985605462.db2.gz PJHCIQUAGUOPEY-HNNXBMFYSA-N -1 3 371.462 2.893 20 30 FFEDHM N#C[C@@]1(c2ccccn2)CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878889014 1015270074 /nfs/dbraw/zinc/27/00/74/1015270074.db2.gz RMDQSGJTBKNEJB-FQEVSTJZSA-N -1 3 361.405 2.895 20 30 FFEDHM C=C[C@@H](CC(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC)c1ccccc1 ZINC001128210476 987392229 /nfs/dbraw/zinc/39/22/29/987392229.db2.gz YJWQOKZRNCTTHI-LBPRGKRZSA-N -1 3 356.378 2.886 20 30 FFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](CO)c1ccccc1 ZINC000922103584 987656725 /nfs/dbraw/zinc/65/67/25/987656725.db2.gz ITCZOTRNGZLONV-LJQANCHMSA-N -1 3 367.449 2.790 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(N2CCCCCC2)nc1 ZINC000193531391 988555658 /nfs/dbraw/zinc/55/56/58/988555658.db2.gz DYDGMSJLIWSLCG-MRXNPFEDSA-N -1 3 363.421 2.818 20 30 FFEDHM C#CCN(CC)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780614171 989279628 /nfs/dbraw/zinc/27/96/28/989279628.db2.gz NXFKVXRZEOBSGY-LJQANCHMSA-N -1 3 350.418 2.735 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)o1 ZINC000134147873 989519479 /nfs/dbraw/zinc/51/94/79/989519479.db2.gz KIWIAARSRNIGMN-INIZCTEOSA-N -1 3 353.378 2.559 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nc1C ZINC000916896941 990013948 /nfs/dbraw/zinc/01/39/48/990013948.db2.gz QXBBFARKFXOFPN-MRXNPFEDSA-N -1 3 365.389 2.836 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000916933592 990036172 /nfs/dbraw/zinc/03/61/72/990036172.db2.gz GWCFBBXBNGPYSV-AWEZNQCLSA-N -1 3 369.333 2.573 20 30 FFEDHM NCc1nc(=O)[n-]n1-c1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001168762116 990776297 /nfs/dbraw/zinc/77/62/97/990776297.db2.gz CHMOMLMRDJWSHV-UHFFFAOYSA-N -1 3 370.416 2.996 20 30 FFEDHM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1 ZINC000175116683 991158995 /nfs/dbraw/zinc/15/89/95/991158995.db2.gz KHLJZAZKZZNMQI-OAHLLOKOSA-N -1 3 353.378 2.559 20 30 FFEDHM CCn1ncc(Br)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001517045016 991282700 /nfs/dbraw/zinc/28/27/00/991282700.db2.gz ADAKCKVCMKZJRA-ZETCQYMHSA-N -1 3 356.611 2.542 20 30 FFEDHM C#CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C1CCCC1 ZINC000183118540 992363435 /nfs/dbraw/zinc/36/34/35/992363435.db2.gz YWPKHZASJYKFGH-UHFFFAOYSA-N -1 3 367.405 2.959 20 30 FFEDHM COc1ccc(-c2nc(COC(=O)c3cc([O-])cc(C#N)c3)no2)cc1 ZINC000811186665 995052036 /nfs/dbraw/zinc/05/20/36/995052036.db2.gz SZHORCBICYFBDU-UHFFFAOYSA-N -1 3 351.318 2.679 20 30 FFEDHM Cc1cc(C)c(CCNC(=O)COC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000811185524 995052585 /nfs/dbraw/zinc/05/25/85/995052585.db2.gz NMIGXTNDAGMMBB-UHFFFAOYSA-N -1 3 366.417 2.705 20 30 FFEDHM COc1ccc([C@@H](CNc2ccc(C(=O)[O-])nc2C#N)N2CCCC2)cc1 ZINC001599517257 997412015 /nfs/dbraw/zinc/41/20/15/997412015.db2.gz SPVPLEZGQWYUPV-LJQANCHMSA-N -1 3 366.421 2.909 20 30 FFEDHM COC(=O)c1cccc([C@H](NCc2ccc(C#N)c(Cl)c2)C(=O)[O-])c1 ZINC001598997162 998790663 /nfs/dbraw/zinc/79/06/63/998790663.db2.gz YEQQBGBADCVJHE-INIZCTEOSA-N -1 3 358.781 2.914 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787848050 1001723645 /nfs/dbraw/zinc/72/36/45/1001723645.db2.gz KHIWAPBYBDHENM-YJYMSZOUSA-N -1 3 364.417 2.840 20 30 FFEDHM Cc1ccccc1NC(=S)NN=C1C(=O)[N-]c2c1cc([N+](=O)[O-])cc2F ZINC000774323008 1001860812 /nfs/dbraw/zinc/86/08/12/1001860812.db2.gz YOMRZPHRQUMPKW-UHFFFAOYSA-N -1 3 373.369 2.685 20 30 FFEDHM N#Cc1cccc(C(F)(F)F)c1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182971723 1002110415 /nfs/dbraw/zinc/11/04/15/1002110415.db2.gz IYJDAXFBSZMXSE-UHFFFAOYSA-N -1 3 363.295 2.651 20 30 FFEDHM C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000790105931 1002276247 /nfs/dbraw/zinc/27/62/47/1002276247.db2.gz IEGLEDMEAASBIP-UHFFFAOYSA-N -1 3 355.438 2.634 20 30 FFEDHM CCOC(Cc1c(NC(=O)Nc2ccc(C#N)cc2)nc[n-]c1=O)OCC ZINC001184718108 1002696778 /nfs/dbraw/zinc/69/67/78/1002696778.db2.gz ZFZOHILZIQNEBU-UHFFFAOYSA-N -1 3 371.397 2.639 20 30 FFEDHM CCCCc1nc(NC(=O)COc2cccc(C#N)c2)c(C(=O)OCC)[n-]1 ZINC000792554513 1003033450 /nfs/dbraw/zinc/03/34/50/1003033450.db2.gz BUPFDEJLWZBYCA-UHFFFAOYSA-N -1 3 370.409 2.818 20 30 FFEDHM C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001186853820 1003432761 /nfs/dbraw/zinc/43/27/61/1003432761.db2.gz GPJJBRKLYRJALP-YUMQZZPRSA-N -1 3 351.819 2.844 20 30 FFEDHM N#Cc1ccc(CC2CCN(C(=O)c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC001186998668 1003526043 /nfs/dbraw/zinc/52/60/43/1003526043.db2.gz GHGYDRHNYYIAMF-UHFFFAOYSA-N -1 3 372.432 2.833 20 30 FFEDHM N#Cc1ccc(CC2CCN(C(=O)c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC001186998668 1003526047 /nfs/dbraw/zinc/52/60/47/1003526047.db2.gz GHGYDRHNYYIAMF-UHFFFAOYSA-N -1 3 372.432 2.833 20 30 FFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(=O)n(CC2CC2)c1 ZINC001196710678 1003923443 /nfs/dbraw/zinc/92/34/43/1003923443.db2.gz BWIMFIDAGYINEQ-UHFFFAOYSA-N -1 3 363.826 2.584 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccnc(OCC3CCOCC3)c2)ccc1[O-] ZINC001191883256 1003987910 /nfs/dbraw/zinc/98/79/10/1003987910.db2.gz CWRCHFDETJYSBH-UHFFFAOYSA-N -1 3 353.378 2.717 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cnccc1C(F)(F)F ZINC001192798865 1004281237 /nfs/dbraw/zinc/28/12/37/1004281237.db2.gz NTSZKMXBPYDQLT-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM CC(=O)Nc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1C#N ZINC001197600421 1004295029 /nfs/dbraw/zinc/29/50/29/1004295029.db2.gz LTUVJTPFZRXXCO-UHFFFAOYSA-N -1 3 365.361 2.737 20 30 FFEDHM N#CCS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1Br ZINC001192971990 1004344350 /nfs/dbraw/zinc/34/43/50/1004344350.db2.gz DJISXYBVTKIWSK-UHFFFAOYSA-N -1 3 359.123 2.613 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)cc1N1CCCC1 ZINC001193157145 1004392831 /nfs/dbraw/zinc/39/28/31/1004392831.db2.gz BMQOAKYBNUCVIV-JTQLQIEISA-N -1 3 358.261 2.703 20 30 FFEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC001193385795 1004471141 /nfs/dbraw/zinc/47/11/41/1004471141.db2.gz BHCDEGKOCADMFS-UHFFFAOYSA-N -1 3 360.863 2.792 20 30 FFEDHM C=CCCOc1ccc(C(=O)Nc2c(C(=O)OC)c[n-]c2C(=O)OC)cc1 ZINC001195125286 1004898575 /nfs/dbraw/zinc/89/85/75/1004898575.db2.gz VKQSFJVCVRKCAN-UHFFFAOYSA-N -1 3 372.377 2.795 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccnc1OC(F)F ZINC001195724793 1005021754 /nfs/dbraw/zinc/02/17/54/1005021754.db2.gz DMLPGLHEJUDGOW-UHFFFAOYSA-N -1 3 353.306 2.655 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2cccnc2)c(C)c1[O-] ZINC001199901769 1005047095 /nfs/dbraw/zinc/04/70/95/1005047095.db2.gz ZEOUYIAWHGUCOV-UHFFFAOYSA-N -1 3 356.407 2.953 20 30 FFEDHM CC(C)(C)C#CC[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201898865 1005281036 /nfs/dbraw/zinc/28/10/36/1005281036.db2.gz KQBDALXAXRBWQA-UHFFFAOYSA-N -1 3 358.463 2.988 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201899449 1005281249 /nfs/dbraw/zinc/28/12/49/1005281249.db2.gz ZNUCZXDTDNUIOV-MRXNPFEDSA-N -1 3 359.451 2.877 20 30 FFEDHM COCc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000850759873 1005837224 /nfs/dbraw/zinc/83/72/24/1005837224.db2.gz SCJWYNNBAZESEK-ZDUSSCGKSA-N -1 3 374.418 2.873 20 30 FFEDHM CC(C)(C)n1nnc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)n1 ZINC000850759900 1005837387 /nfs/dbraw/zinc/83/73/87/1005837387.db2.gz OMNUMUVECDZVAY-CQSZACIVSA-N -1 3 362.393 2.542 20 30 FFEDHM COC(=O)c1cc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C ZINC000851353265 1005876776 /nfs/dbraw/zinc/87/67/76/1005876776.db2.gz OKNURHSWXYAUQB-UHFFFAOYSA-N -1 3 368.389 2.909 20 30 FFEDHM N#CC(C(=O)C=Cc1ccc(C(N)=O)o1)=C([O-])c1cc2c(s1)CCCC2 ZINC000853131513 1006308404 /nfs/dbraw/zinc/30/84/04/1006308404.db2.gz JDVRLGKAGFKVCQ-VUDGCMKMSA-N -1 3 368.414 2.924 20 30 FFEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1ccc(C(N)=O)o1 ZINC000853131513 1006308418 /nfs/dbraw/zinc/30/84/18/1006308418.db2.gz JDVRLGKAGFKVCQ-VUDGCMKMSA-N -1 3 368.414 2.924 20 30 FFEDHM N#Cc1ccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC001188087552 1006404125 /nfs/dbraw/zinc/40/41/25/1006404125.db2.gz JFIKAPDMBPDCPA-UHFFFAOYSA-N -1 3 356.234 2.781 20 30 FFEDHM CCC1(CC)[C@H](OC)C[C@@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000130942535 1006633560 /nfs/dbraw/zinc/63/35/60/1006633560.db2.gz CUOVZMKHWUUQJU-SJORKVTESA-N -1 3 360.454 2.933 20 30 FFEDHM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)ccn1 ZINC000815908104 1006822035 /nfs/dbraw/zinc/82/20/35/1006822035.db2.gz SEXUXCKCTVZSCA-OAHLLOKOSA-N -1 3 350.378 2.637 20 30 FFEDHM O=C(CCN1c2ccccc2Sc2ccccc21)N[C@@H]1CCN([O-])C1=O ZINC000816694856 1007169119 /nfs/dbraw/zinc/16/91/19/1007169119.db2.gz PHCWTHPJXVTWOI-CYBMUJFWSA-N -1 3 369.446 2.786 20 30 FFEDHM Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CCCN([O-])C2=O)cc1C ZINC000816754274 1007191868 /nfs/dbraw/zinc/19/18/68/1007191868.db2.gz ABSVUWZVBUORCD-INIZCTEOSA-N -1 3 371.462 2.960 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000855439055 1007337764 /nfs/dbraw/zinc/33/77/64/1007337764.db2.gz UMVVWSOREFHDAU-CQSZACIVSA-N -1 3 368.474 2.941 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000855716847 1007518048 /nfs/dbraw/zinc/51/80/48/1007518048.db2.gz UMGMURUASQVQGQ-QZTJIDSGSA-N -1 3 351.406 2.503 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCSCc2ccccc2)c1 ZINC001190666150 1007724145 /nfs/dbraw/zinc/72/41/45/1007724145.db2.gz WPXZYBGXBSWSIN-UHFFFAOYSA-N -1 3 350.440 2.909 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2Br)c1 ZINC001190655639 1007736699 /nfs/dbraw/zinc/73/66/99/1007736699.db2.gz IKFRHMGFSLZALO-UHFFFAOYSA-N -1 3 371.187 2.966 20 30 FFEDHM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)N[C@@H]1CCN([O-])C1=O ZINC000820156822 1008294995 /nfs/dbraw/zinc/29/49/95/1008294995.db2.gz OHOJVESJGUCFPI-QGZVFWFLSA-N -1 3 374.824 2.568 20 30 FFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c(C)n1[C@@H](C)c1ccccc1 ZINC000820482002 1008339911 /nfs/dbraw/zinc/33/99/11/1008339911.db2.gz CAQAQRKMWWMNOK-KSSFIOAISA-N -1 3 355.438 2.824 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C3CC3)nn2)cc1 ZINC000860470392 1009017444 /nfs/dbraw/zinc/01/74/44/1009017444.db2.gz OZQCJQFTAJHNMS-MRXNPFEDSA-N -1 3 351.410 2.917 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(Cc3ccccc3)n2)c1 ZINC000773975104 1010390621 /nfs/dbraw/zinc/39/06/21/1010390621.db2.gz JOKARCIZZNRKLK-SFHVURJKSA-N -1 3 374.400 2.901 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(F)c1 ZINC000774052956 1010442087 /nfs/dbraw/zinc/44/20/87/1010442087.db2.gz NFNPTAYFHPRZBQ-ZDUSSCGKSA-N -1 3 369.352 2.754 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CC2CC2)c1 ZINC000870140578 1012189851 /nfs/dbraw/zinc/18/98/51/1012189851.db2.gz IEOQOVRQKBIZMD-OAHLLOKOSA-N -1 3 352.394 2.653 20 30 FFEDHM C=C(Br)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001095180611 1012659147 /nfs/dbraw/zinc/65/91/47/1012659147.db2.gz XLZFRUIISWQZMO-XBFCOCLRSA-N -1 3 351.244 2.636 20 30 FFEDHM C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc([O-])c(F)c3)[nH]n2)c1C ZINC001137439743 1018457335 /nfs/dbraw/zinc/45/73/35/1018457335.db2.gz DXLAHODWKDJRTO-UHFFFAOYSA-N -1 3 369.400 2.851 20 30 FFEDHM O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901374852 1019016214 /nfs/dbraw/zinc/01/62/14/1019016214.db2.gz UMZQKNQVTKAHAC-UHFFFAOYSA-N -1 3 356.313 2.951 20 30 FFEDHM C=CCOC[C@H](NCc1cc2ccccc2nc1N1CCCCC1)C(=O)[O-] ZINC000901808620 1019489779 /nfs/dbraw/zinc/48/97/79/1019489779.db2.gz ICUWSDFPVMFDNO-IBGZPJMESA-N -1 3 369.465 2.971 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)OCCCO2 ZINC000726759973 1020519013 /nfs/dbraw/zinc/51/90/13/1020519013.db2.gz IQTMNKBAFNLBBX-UHFFFAOYSA-N -1 3 368.389 2.975 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC001117787312 1021891034 /nfs/dbraw/zinc/89/10/34/1021891034.db2.gz LEYZNLQWHQOHGX-UHFFFAOYSA-N -1 3 364.358 2.589 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]c4cccc(C#N)c43)nc21 ZINC001137749469 1033013866 /nfs/dbraw/zinc/01/38/66/1033013866.db2.gz FOGGXLDJODZYKR-UHFFFAOYSA-N -1 3 359.345 2.955 20 30 FFEDHM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC001119434975 1022763316 /nfs/dbraw/zinc/76/33/16/1022763316.db2.gz KDCKZYSBQDEDBJ-LJQANCHMSA-N -1 3 372.446 2.509 20 30 FFEDHM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nc(N)c2ccccc2n1 ZINC001122496113 1023303810 /nfs/dbraw/zinc/30/38/10/1023303810.db2.gz BQJTWIRYOMJUAP-INIZCTEOSA-N -1 3 354.373 2.888 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC001122496476 1023305315 /nfs/dbraw/zinc/30/53/15/1023305315.db2.gz WQXBATQPMGNBKY-ZIAGYGMSSA-N -1 3 359.430 2.609 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC(F)(F)CC[C@H]1C ZINC001122566109 1023342853 /nfs/dbraw/zinc/34/28/53/1023342853.db2.gz BSQCDSRBDMZOIL-LLVKDONJSA-N -1 3 350.373 2.641 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(Cl)c2)cc1OC ZINC001122624865 1023376092 /nfs/dbraw/zinc/37/60/92/1023376092.db2.gz KCUSKYBNAZOSGF-GFCCVEGCSA-N -1 3 359.769 2.713 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(F)cc2OCC#N)c([O-])c1 ZINC000755494682 1023605209 /nfs/dbraw/zinc/60/52/09/1023605209.db2.gz MSXPCIFGAZSHSO-UHFFFAOYSA-N -1 3 371.368 2.501 20 30 FFEDHM C=CCCCCCN(C)c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCOC1 ZINC001123057191 1023613667 /nfs/dbraw/zinc/61/36/67/1023613667.db2.gz YINUUUPELNYURC-AWEZNQCLSA-N -1 3 361.446 2.858 20 30 FFEDHM C#CC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000757925646 1023885277 /nfs/dbraw/zinc/88/52/77/1023885277.db2.gz PWOAJCBGQPJXGY-GOSISDBHSA-N -1 3 350.418 2.701 20 30 FFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759329612 1024564334 /nfs/dbraw/zinc/56/43/34/1024564334.db2.gz JPWXSZMVSLFDEQ-AWEZNQCLSA-N -1 3 373.430 2.988 20 30 FFEDHM C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C2 ZINC001095852925 1025084199 /nfs/dbraw/zinc/08/41/99/1025084199.db2.gz LFXUOPLRUZYEMF-RDBSUJKOSA-N -1 3 364.877 2.702 20 30 FFEDHM C=CCOC(=O)N[C@H]1CCCN(C(=O)c2c(O)cc3ccccc3c2[O-])C1 ZINC001154028439 1028117974 /nfs/dbraw/zinc/11/79/74/1028117974.db2.gz XXUXQUSVBADJQD-AWEZNQCLSA-N -1 3 370.405 2.768 20 30 FFEDHM CNC(=O)c1cccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155913935 1028973492 /nfs/dbraw/zinc/97/34/92/1028973492.db2.gz CSZLECBPJYMBCT-UHFFFAOYSA-N -1 3 354.288 2.588 20 30 FFEDHM NC(=S)Nc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001155914535 1028973719 /nfs/dbraw/zinc/97/37/19/1028973719.db2.gz VIHJSFVTGYZMEH-UHFFFAOYSA-N -1 3 371.344 2.884 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(=O)[C@H]3CCCC[C@H]32)n1 ZINC001163791390 1029063739 /nfs/dbraw/zinc/06/37/39/1029063739.db2.gz RTFLZYJRXXMFOT-MKYLUNOYSA-N -1 3 354.863 2.998 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000782195031 1029607630 /nfs/dbraw/zinc/60/76/30/1029607630.db2.gz ZRVOIDXWZDLLHJ-RNVQKBRISA-N -1 3 363.458 2.843 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nnn(C(C)C)c1C ZINC000796744355 1030902112 /nfs/dbraw/zinc/90/21/12/1030902112.db2.gz INCFKVNZMFTQJF-ZDUSSCGKSA-N -1 3 355.398 2.527 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2cccc(C#N)c2)n1 ZINC000798817501 1031554066 /nfs/dbraw/zinc/55/40/66/1031554066.db2.gz YNCGZBVUPZJKFQ-KRWDZBQOSA-N -1 3 355.357 2.705 20 30 FFEDHM CCCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000798816288 1031555273 /nfs/dbraw/zinc/55/52/73/1031555273.db2.gz JVZMKUROBQIHRA-CQSZACIVSA-N -1 3 354.362 2.964 20 30 FFEDHM N#CCCN(CCC#N)C(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150468202 1031718632 /nfs/dbraw/zinc/71/86/32/1031718632.db2.gz RVLBVIUYWKTWFY-UHFFFAOYSA-N -1 3 362.311 2.816 20 30 FFEDHM O=C1CCC(=O)N1CCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001224555545 1033927967 /nfs/dbraw/zinc/92/79/67/1033927967.db2.gz BYYDNIHGZUKNEG-GOBJLOIFSA-N -1 3 352.390 2.772 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[n-]1 ZINC001225469200 1034268303 /nfs/dbraw/zinc/26/83/03/1034268303.db2.gz HWSQEJQCJDFCGD-NSHDSACASA-N -1 3 358.329 2.672 20 30 FFEDHM [O-]/N=C/c1ccnc(O[C@@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC001226256678 1034595145 /nfs/dbraw/zinc/59/51/45/1034595145.db2.gz VALHRCQBLBHMDX-UHPUNMKFSA-N -1 3 363.215 2.705 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@H]2Oc2nccc(/C=N/[O-])n2)C1 ZINC001226253357 1034595364 /nfs/dbraw/zinc/59/53/64/1034595364.db2.gz GYRWSVDYDAHVRQ-GZSHILNYSA-N -1 3 362.430 2.843 20 30 FFEDHM CCc1cnc(=S)[n-]c1O[C@@H]1C[C@@H](C#N)N(C(=O)OC(C)(C)C)C1 ZINC001227062677 1034925169 /nfs/dbraw/zinc/92/51/69/1034925169.db2.gz YPUSSTQXLVUACT-NWDGAFQWSA-N -1 3 350.444 2.608 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001221839585 1035107080 /nfs/dbraw/zinc/10/70/80/1035107080.db2.gz ZJEXESHAXDSCGE-NVXWUHKLSA-N -1 3 370.497 2.695 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)CC2 ZINC001140493666 1035498786 /nfs/dbraw/zinc/49/87/86/1035498786.db2.gz HNKCZUARNHNAOE-UHFFFAOYSA-N -1 3 361.442 2.550 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](COc1cc(C#N)ccc1[O-])O2 ZINC001227344822 1035513621 /nfs/dbraw/zinc/51/36/21/1035513621.db2.gz DXUFERYWZLOGOK-AWEZNQCLSA-N -1 3 360.410 2.811 20 30 FFEDHM N#Cc1ccc([O-])c(CN2CCN(c3ccc(Br)cn3)CC2)c1 ZINC001232673593 1035932128 /nfs/dbraw/zinc/93/21/28/1035932128.db2.gz JRJITZGQOYJRNC-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698072 1036267115 /nfs/dbraw/zinc/26/71/15/1036267115.db2.gz SBGIIQHKACMXGE-CQSZACIVSA-N -1 3 357.414 2.811 20 30 FFEDHM N#Cc1ccnc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)c1 ZINC001233418347 1036610670 /nfs/dbraw/zinc/61/06/70/1036610670.db2.gz CMZHLCRNCJVNIC-UHFFFAOYSA-N -1 3 362.355 3.000 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](COc1cc([O-])cc(C#N)c1)O2 ZINC001234138609 1036934023 /nfs/dbraw/zinc/93/40/23/1036934023.db2.gz BQKHUIHOZGKNMP-HNNXBMFYSA-N -1 3 360.410 2.811 20 30 FFEDHM C=CC(=O)OC[C@H](COC(=O)C(=C)C)Oc1c(Cl)ccc([O-])c1F ZINC001234263670 1036979583 /nfs/dbraw/zinc/97/95/83/1036979583.db2.gz GPKNMDDHGWKTBF-SNVBAGLBSA-N -1 3 358.749 2.781 20 30 FFEDHM COC(=O)[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1F ZINC001234513977 1037066833 /nfs/dbraw/zinc/06/68/33/1037066833.db2.gz PZCSYONRBVKEKB-HNNXBMFYSA-N -1 3 353.309 2.639 20 30 FFEDHM N#C[C@@H]1CC[C@@H](Oc2nc(=O)[n-]c3c2CCN(Cc2ccccc2)C3)C1 ZINC001230189751 1037137356 /nfs/dbraw/zinc/13/73/56/1037137356.db2.gz VVBIFHOPCHIPFJ-HZPDHXFCSA-N -1 3 350.422 2.812 20 30 FFEDHM C#CCNC(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001278022952 1038328025 /nfs/dbraw/zinc/32/80/25/1038328025.db2.gz FLEPHAJISORSTE-CYBMUJFWSA-N -1 3 350.821 2.536 20 30 FFEDHM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1N1CCCC1 ZINC001258131872 1039207605 /nfs/dbraw/zinc/20/76/05/1039207605.db2.gz CZCBYMDWIYGUSW-UHFFFAOYSA-N -1 3 357.435 2.968 20 30 FFEDHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)c1F ZINC001258133046 1039210036 /nfs/dbraw/zinc/21/00/36/1039210036.db2.gz WQEZLYMYCLFREA-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(Br)n1 ZINC001258942406 1039604936 /nfs/dbraw/zinc/60/49/36/1039604936.db2.gz VOKXLHGWIUTMRS-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001260827121 1040831104 /nfs/dbraw/zinc/83/11/04/1040831104.db2.gz NYUNUXMBFTUYEB-CQSZACIVSA-N -1 3 366.266 2.921 20 30 FFEDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c(OC)c1 ZINC001214042198 1041183372 /nfs/dbraw/zinc/18/33/72/1041183372.db2.gz DJYWCRYACQYMMJ-SNVBAGLBSA-N -1 3 352.437 2.676 20 30 FFEDHM Cc1cc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1Br ZINC001261364709 1041185347 /nfs/dbraw/zinc/18/53/47/1041185347.db2.gz SQUVIZVRWHKONE-UHFFFAOYSA-N -1 3 365.252 2.996 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001262957385 1041988360 /nfs/dbraw/zinc/98/83/60/1041988360.db2.gz ROMQHTHZDNZBPW-MRXNPFEDSA-N -1 3 362.437 2.929 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001262987617 1042011940 /nfs/dbraw/zinc/01/19/40/1042011940.db2.gz CFDGNBLZUGWGBE-INIZCTEOSA-N -1 3 362.384 2.561 20 30 FFEDHM Cn1ccnc1C(C#N)=C([O-])c1cn(C(C)(C)C)nc1Br ZINC001263332400 1042245780 /nfs/dbraw/zinc/24/57/80/1042245780.db2.gz OJCNKBYDORDVEI-VIFPVBQESA-N -1 3 350.220 2.624 20 30 FFEDHM C=C1CCC(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC001313258825 1044289434 /nfs/dbraw/zinc/28/94/34/1044289434.db2.gz VPULPBCHIHPCIM-UHFFFAOYSA-N -1 3 357.454 2.606 20 30 FFEDHM COC(=O)C1CCN(c2ncc(-c3ccc4c(c3)CC/C4=N/[O-])cn2)CC1 ZINC001242687023 1044775497 /nfs/dbraw/zinc/77/54/97/1044775497.db2.gz YRONFMDCLLCFDT-NKFKGCMQSA-N -1 3 366.421 2.658 20 30 FFEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccnc1 ZINC001317748220 1045130303 /nfs/dbraw/zinc/13/03/03/1045130303.db2.gz GIWKKTAPNXHVHI-UHFFFAOYSA-N -1 3 352.419 2.992 20 30 FFEDHM CC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(OC)c(OC)c1 ZINC001322504830 1046110078 /nfs/dbraw/zinc/11/00/78/1046110078.db2.gz QIFNWCTWVVWLCL-AWEZNQCLSA-N -1 3 360.435 2.894 20 30 FFEDHM C=C(C)C[C@@H](NCc1c(Br)cc(OC)cc1OC)C(=O)[O-] ZINC001329311654 1048663551 /nfs/dbraw/zinc/66/35/51/1048663551.db2.gz WUYKWNDRXIUSLM-CYBMUJFWSA-N -1 3 358.232 2.975 20 30 FFEDHM N#Cc1cc(F)c(C(F)(F)F)cc1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001339843359 1050264145 /nfs/dbraw/zinc/26/41/45/1050264145.db2.gz OONHRIAAULTHJM-JTQLQIEISA-N -1 3 367.306 2.903 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1C#N ZINC001340288480 1050691558 /nfs/dbraw/zinc/69/15/58/1050691558.db2.gz NDILARPMLBJDMI-CQSZACIVSA-N -1 3 368.462 2.514 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001342259546 1050852062 /nfs/dbraw/zinc/85/20/62/1050852062.db2.gz PDJCOPBOCHVAKY-OAHLLOKOSA-N -1 3 352.394 2.622 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(CC)CCC(=O)NC)n2CC)c1[O-] ZINC001341195632 1051554409 /nfs/dbraw/zinc/55/44/09/1051554409.db2.gz JKXXYYUURFAZJH-UHFFFAOYSA-N -1 3 371.485 2.752 20 30 FFEDHM CN1CCN([C@@H](C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC001306899330 1052216368 /nfs/dbraw/zinc/21/63/68/1052216368.db2.gz ZUOWEANOQBUAJG-LJQANCHMSA-N -1 3 357.429 2.532 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(C(F)(F)F)CC1 ZINC001343669155 1052365433 /nfs/dbraw/zinc/36/54/33/1052365433.db2.gz OKNNIRKKEZKGQW-UHFFFAOYSA-N -1 3 368.363 2.796 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001345812762 1052624272 /nfs/dbraw/zinc/62/42/72/1052624272.db2.gz XEIPHHCRSSGXKO-YCRPNKLZSA-N -1 3 356.466 2.915 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001345975376 1052691551 /nfs/dbraw/zinc/69/15/51/1052691551.db2.gz WMVWOFLKTWXZHK-ZIAGYGMSSA-N -1 3 372.498 2.515 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)nc2OC)cc1 ZINC001346249255 1052803797 /nfs/dbraw/zinc/80/37/97/1052803797.db2.gz WAKUGWDKJANVOZ-DOMZBBRYSA-N -1 3 354.410 2.903 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C[C@H]1CCCO1 ZINC001347778027 1054308537 /nfs/dbraw/zinc/30/85/37/1054308537.db2.gz CWOQLVZDYSINBS-OAHLLOKOSA-N -1 3 372.473 2.721 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3nc(C#N)c(Cl)s3)C2)n1 ZINC001348301323 1054617561 /nfs/dbraw/zinc/61/75/61/1054617561.db2.gz FIWOVICQSDFTGV-VIFPVBQESA-N -1 3 350.835 2.553 20 30 FFEDHM CCn1c(-c2c[n-]c3c(F)c(F)ccc3c2=O)nnc1N(C)[C@H](C)CC#N ZINC001356264507 1055424239 /nfs/dbraw/zinc/42/42/39/1055424239.db2.gz FVQQGBACKYJKCY-SNVBAGLBSA-N -1 3 372.379 2.823 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1CCO[C@@H]1CCCCO1 ZINC001357598811 1055959406 /nfs/dbraw/zinc/95/94/06/1055959406.db2.gz LALBUCQABAKHEK-RDTXWAMCSA-N -1 3 372.400 2.759 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 ZINC001339014065 1056016147 /nfs/dbraw/zinc/01/61/47/1056016147.db2.gz CIZHEQXJIAQVPG-KBPBESRZSA-N -1 3 359.430 2.609 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C(C)(C)C)n2)cc1OC ZINC000847623641 1056195963 /nfs/dbraw/zinc/19/59/63/1056195963.db2.gz CVEODDNEPWODFH-ZDUSSCGKSA-N -1 3 370.409 2.616 20 30 FFEDHM C#CC1CCN(c2nnc(-c3nn(-c4ccccc4)cc3[O-])n2CC)CC1 ZINC001339364668 1056374351 /nfs/dbraw/zinc/37/43/51/1056374351.db2.gz SWXPPTSHIVELKF-UHFFFAOYSA-N -1 3 362.437 2.706 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2nnc(Cl)[n-]2)n1C[C@H]1CCOC1 ZINC001519771234 1059050214 /nfs/dbraw/zinc/05/02/14/1059050214.db2.gz DTBOGCHSALOEQW-GFCCVEGCSA-N -1 3 365.869 2.546 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2n[n-]c(Cl)n2)n1C[C@H]1CCOC1 ZINC001519771234 1059050235 /nfs/dbraw/zinc/05/02/35/1059050235.db2.gz DTBOGCHSALOEQW-GFCCVEGCSA-N -1 3 365.869 2.546 20 30 FFEDHM Cc1ccccc1COc1cccc(CC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000848138180 1059113862 /nfs/dbraw/zinc/11/38/62/1059113862.db2.gz KBZQLAZXHSWXSL-LJQANCHMSA-N -1 3 368.433 2.613 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=Cc1nccs1 ZINC001515116017 1059345590 /nfs/dbraw/zinc/34/55/90/1059345590.db2.gz ZXYHFWXNEXCXOH-FOQNGQEVSA-N -1 3 371.418 2.870 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1nccs1 ZINC001515116017 1059345611 /nfs/dbraw/zinc/34/56/11/1059345611.db2.gz ZXYHFWXNEXCXOH-FOQNGQEVSA-N -1 3 371.418 2.870 20 30 FFEDHM CCCCCCN([O-])C(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001458012850 1060491089 /nfs/dbraw/zinc/49/10/89/1060491089.db2.gz YKFATARLUSGOTE-UHFFFAOYSA-N -1 3 355.435 2.550 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)CCCOc1ccccc1 ZINC001355969257 1060770682 /nfs/dbraw/zinc/77/06/82/1060770682.db2.gz QMIDPLFHUHAKPF-UHFFFAOYSA-N -1 3 366.425 2.532 20 30 FFEDHM C=CCn1cc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)nn1 ZINC001435273977 1062435191 /nfs/dbraw/zinc/43/51/91/1062435191.db2.gz SGEALWPDIRBWHU-UHFFFAOYSA-N -1 3 358.452 2.957 20 30 FFEDHM C=C1CCC(C[N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC001464456632 1062621778 /nfs/dbraw/zinc/62/17/78/1062621778.db2.gz CHGKXBHAXQTDJJ-UHFFFAOYSA-N -1 3 359.469 2.568 20 30 FFEDHM C#C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Br)cc1 ZINC001468452405 1063988185 /nfs/dbraw/zinc/98/81/85/1063988185.db2.gz YNRBGTSFNSTBDX-ZDUSSCGKSA-N -1 3 373.185 2.964 20 30 FFEDHM Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1C(=O)[O-] ZINC001574678710 1078057782 /nfs/dbraw/zinc/05/77/82/1078057782.db2.gz NJHMZPZOIKLXAK-UHFFFAOYSA-N -1 3 365.433 2.769 20 30 FFEDHM C[C@@H]1CC[C@@H](C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC001472618646 1065112750 /nfs/dbraw/zinc/11/27/50/1065112750.db2.gz BDWQTOXNMDHYDG-RBSFLKMASA-N -1 3 358.438 2.963 20 30 FFEDHM CSc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1C#N ZINC001580233427 1078771045 /nfs/dbraw/zinc/77/10/45/1078771045.db2.gz NJANXUKSFKLMTM-UHFFFAOYSA-N -1 3 368.397 2.529 20 30 FFEDHM CSc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1C#N ZINC001580233427 1078771053 /nfs/dbraw/zinc/77/10/53/1078771053.db2.gz NJANXUKSFKLMTM-UHFFFAOYSA-N -1 3 368.397 2.529 20 30 FFEDHM N#CCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC001581858192 1079008577 /nfs/dbraw/zinc/00/85/77/1079008577.db2.gz UTYYPQFNDRSRSK-UHFFFAOYSA-N -1 3 354.320 2.705 20 30 FFEDHM N#CCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC001581858192 1079008587 /nfs/dbraw/zinc/00/85/87/1079008587.db2.gz UTYYPQFNDRSRSK-UHFFFAOYSA-N -1 3 354.320 2.705 20 30 FFEDHM N#Cc1c[nH]nc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001581876986 1079012459 /nfs/dbraw/zinc/01/24/59/1079012459.db2.gz NYCKFTDSYRVRRU-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM Cc1ccccc1N1CCC[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1=O ZINC001551294524 1074680025 /nfs/dbraw/zinc/68/00/25/1074680025.db2.gz OVGVSEARJGZHPQ-CBVHTYNASA-N -1 3 353.422 2.511 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cnc(-c3ccccn3)s2)ncc2c1COCC2 ZINC001584216298 1079323545 /nfs/dbraw/zinc/32/35/45/1079323545.db2.gz HKNPIJXHSDSUJW-UHFFFAOYSA-N -1 3 363.402 2.797 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCN(c3ccc(F)cc3F)C2)c1[O-] ZINC001551953191 1074874848 /nfs/dbraw/zinc/87/48/48/1074874848.db2.gz ZMHJSXDRXLWWTL-GEWRFBTQSA-N -1 3 361.392 2.812 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC001556750149 1075771358 /nfs/dbraw/zinc/77/13/58/1075771358.db2.gz ATNSYJKTZDZVIS-AWEZNQCLSA-N -1 3 364.760 2.991 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001557751630 1075883556 /nfs/dbraw/zinc/88/35/56/1075883556.db2.gz JRHBYQNBTXKVNP-UHFFFAOYSA-N -1 3 366.421 2.795 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC001557794504 1075892169 /nfs/dbraw/zinc/89/21/69/1075892169.db2.gz CMWZVSQRCHOMGO-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC001557794504 1075892172 /nfs/dbraw/zinc/89/21/72/1075892172.db2.gz CMWZVSQRCHOMGO-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM CCOc1nnc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[n-]1 ZINC001558011317 1075926853 /nfs/dbraw/zinc/92/68/53/1075926853.db2.gz HTSQVEYYJHMGKE-UHFFFAOYSA-N -1 3 350.338 2.515 20 30 FFEDHM CCOc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n[n-]1 ZINC001558011317 1075926856 /nfs/dbraw/zinc/92/68/56/1075926856.db2.gz HTSQVEYYJHMGKE-UHFFFAOYSA-N -1 3 350.338 2.515 20 30 FFEDHM CCOc1n[n-]c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC001558011317 1075926860 /nfs/dbraw/zinc/92/68/60/1075926860.db2.gz HTSQVEYYJHMGKE-UHFFFAOYSA-N -1 3 350.338 2.515 20 30 FFEDHM C=CCc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc(OC)c1OC ZINC001558559122 1076032239 /nfs/dbraw/zinc/03/22/39/1076032239.db2.gz NNFCUMKKUBDUIB-UHFFFAOYSA-N -1 3 373.409 2.973 20 30 FFEDHM C=CCc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc(OC)c1OC ZINC001558559122 1076032240 /nfs/dbraw/zinc/03/22/40/1076032240.db2.gz NNFCUMKKUBDUIB-UHFFFAOYSA-N -1 3 373.409 2.973 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001561562861 1076393011 /nfs/dbraw/zinc/39/30/11/1076393011.db2.gz OTPYYFXEMFYNTN-CQSZACIVSA-N -1 3 352.481 2.724 20 30 FFEDHM N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCN([O-])C3=O)cc2)cc1 ZINC001562281981 1076486846 /nfs/dbraw/zinc/48/68/46/1076486846.db2.gz YNWOLVKIVSUCNG-QGZVFWFLSA-N -1 3 366.377 2.852 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001573196679 1077586006 /nfs/dbraw/zinc/58/60/06/1077586006.db2.gz YJDORFUGRBZOMW-MNVSYLFESA-N -1 3 369.469 2.575 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CCC1 ZINC001573307862 1077666055 /nfs/dbraw/zinc/66/60/55/1077666055.db2.gz WLGTUZKSHRNFAO-UHFFFAOYSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CCC1 ZINC001573307862 1077666059 /nfs/dbraw/zinc/66/60/59/1077666059.db2.gz WLGTUZKSHRNFAO-UHFFFAOYSA-N -1 3 369.473 2.623 20 30 FFEDHM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573362287 1077683004 /nfs/dbraw/zinc/68/30/04/1077683004.db2.gz DCOGJLCOEDTBAW-ZOCIIQOWSA-N -1 3 363.417 2.685 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2nc(-c3cccnc3Cl)ns2)nn1 ZINC001586076214 1079541336 /nfs/dbraw/zinc/54/13/36/1079541336.db2.gz BJBHAXWCKVZZAI-UHFFFAOYSA-N -1 3 361.818 2.673 20 30 FFEDHM C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001588329475 1079984935 /nfs/dbraw/zinc/98/49/35/1079984935.db2.gz HBMJVSYOXTXJPN-KSZLIROESA-N -1 3 361.380 2.600 20 30 FFEDHM C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001588329475 1079984938 /nfs/dbraw/zinc/98/49/38/1079984938.db2.gz HBMJVSYOXTXJPN-KSZLIROESA-N -1 3 361.380 2.600 20 30 FFEDHM C#C[C@H](Nc1ncc(Br)cc1-c1nnn[n-]1)c1ccccc1 ZINC001588328513 1079984971 /nfs/dbraw/zinc/98/49/71/1079984971.db2.gz ITISAGVWZVFYFV-ZDUSSCGKSA-N -1 3 355.199 2.811 20 30 FFEDHM C#C[C@H](Nc1ncc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC001588328513 1079984974 /nfs/dbraw/zinc/98/49/74/1079984974.db2.gz ITISAGVWZVFYFV-ZDUSSCGKSA-N -1 3 355.199 2.811 20 30 FFEDHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccc(Cl)cc1 ZINC001588329673 1079985584 /nfs/dbraw/zinc/98/55/84/1079985584.db2.gz LFLHUYZBTJHZJI-GFCCVEGCSA-N -1 3 373.203 2.673 20 30 FFEDHM C#CC1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC(=C)C)CC1 ZINC001588331033 1079986600 /nfs/dbraw/zinc/98/66/00/1079986600.db2.gz NMBZJDBNHOECBM-UHFFFAOYSA-N -1 3 374.452 2.551 20 30 FFEDHM C#CC1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC(=C)C)CC1 ZINC001588331033 1079986603 /nfs/dbraw/zinc/98/66/03/1079986603.db2.gz NMBZJDBNHOECBM-UHFFFAOYSA-N -1 3 374.452 2.551 20 30 FFEDHM C#CC[C@H](C)OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC001588331698 1079987298 /nfs/dbraw/zinc/98/72/98/1079987298.db2.gz RCJJIJLYEFEBQE-LBPRGKRZSA-N -1 3 352.350 2.607 20 30 FFEDHM C#CC[C@H](C)OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC001588331698 1079987306 /nfs/dbraw/zinc/98/73/06/1079987306.db2.gz RCJJIJLYEFEBQE-LBPRGKRZSA-N -1 3 352.350 2.607 20 30 FFEDHM C#CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC001588333221 1079987538 /nfs/dbraw/zinc/98/75/38/1079987538.db2.gz HGEVAENGUKSOKV-UHFFFAOYSA-N -1 3 364.331 2.953 20 30 FFEDHM C#CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC001588333221 1079987546 /nfs/dbraw/zinc/98/75/46/1079987546.db2.gz HGEVAENGUKSOKV-UHFFFAOYSA-N -1 3 364.331 2.953 20 30 FFEDHM C#CCC(C)(C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1Br ZINC001588330753 1079987771 /nfs/dbraw/zinc/98/77/71/1079987771.db2.gz DKXOFXRZIXBMRG-UHFFFAOYSA-N -1 3 363.215 2.722 20 30 FFEDHM C#CCC(C)(C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1Br ZINC001588330753 1079987774 /nfs/dbraw/zinc/98/77/74/1079987774.db2.gz DKXOFXRZIXBMRG-UHFFFAOYSA-N -1 3 363.215 2.722 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)cc1 ZINC001588346877 1079990607 /nfs/dbraw/zinc/99/06/07/1079990607.db2.gz BCKMMEWQRYRVTB-UHFFFAOYSA-N -1 3 369.331 2.799 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)cc1 ZINC001588346877 1079990613 /nfs/dbraw/zinc/99/06/13/1079990613.db2.gz BCKMMEWQRYRVTB-UHFFFAOYSA-N -1 3 369.331 2.799 20 30 FFEDHM C#CCCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588347067 1079990790 /nfs/dbraw/zinc/99/07/90/1079990790.db2.gz HOTFEXGGRCLTLI-CQSZACIVSA-N -1 3 361.405 2.760 20 30 FFEDHM C#CCCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588347067 1079990792 /nfs/dbraw/zinc/99/07/92/1079990792.db2.gz HOTFEXGGRCLTLI-CQSZACIVSA-N -1 3 361.405 2.760 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)c2)cc1 ZINC001588373394 1079996493 /nfs/dbraw/zinc/99/64/93/1079996493.db2.gz IZDYHYYMYLCYJU-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)c2)cc1 ZINC001588373394 1079996502 /nfs/dbraw/zinc/99/65/02/1079996502.db2.gz IZDYHYYMYLCYJU-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588392662 1080006054 /nfs/dbraw/zinc/00/60/54/1080006054.db2.gz FLJHLQFDEKDBAW-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588392662 1080006063 /nfs/dbraw/zinc/00/60/63/1080006063.db2.gz FLJHLQFDEKDBAW-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nnn[n-]1 ZINC001588410804 1080014190 /nfs/dbraw/zinc/01/41/90/1080014190.db2.gz VZZSZEOXXUNSJV-UHFFFAOYSA-N -1 3 357.462 2.515 20 30 FFEDHM C=C(C)CCC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nn[n-]n1 ZINC001588410804 1080014200 /nfs/dbraw/zinc/01/42/00/1080014200.db2.gz VZZSZEOXXUNSJV-UHFFFAOYSA-N -1 3 357.462 2.515 20 30 FFEDHM C=C(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588430639 1080025254 /nfs/dbraw/zinc/02/52/54/1080025254.db2.gz SIHFKESYXYGTRH-UHFFFAOYSA-N -1 3 351.370 2.752 20 30 FFEDHM C=C(C)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588430639 1080025262 /nfs/dbraw/zinc/02/52/62/1080025262.db2.gz SIHFKESYXYGTRH-UHFFFAOYSA-N -1 3 351.370 2.752 20 30 FFEDHM C=C(C)Cn1c(CC2CC2)nnc1N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588437733 1080026900 /nfs/dbraw/zinc/02/69/00/1080026900.db2.gz HZYAISBWGAQDKG-UHFFFAOYSA-N -1 3 370.486 2.685 20 30 FFEDHM C=C(C)Cn1c(CC2CC2)nnc1N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588437733 1080026903 /nfs/dbraw/zinc/02/69/03/1080026903.db2.gz HZYAISBWGAQDKG-UHFFFAOYSA-N -1 3 370.486 2.685 20 30 FFEDHM C=C(Cl)COc1ccc(-c2nnn[n-]2)cc1I ZINC001588447244 1080029503 /nfs/dbraw/zinc/02/95/03/1080029503.db2.gz BSVKNZWJYSYAML-UHFFFAOYSA-N -1 3 362.558 2.603 20 30 FFEDHM C=C(Cl)COc1ccc(-c2nn[n-]n2)cc1I ZINC001588447244 1080029511 /nfs/dbraw/zinc/02/95/11/1080029511.db2.gz BSVKNZWJYSYAML-UHFFFAOYSA-N -1 3 362.558 2.603 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](C)CCCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588475873 1080041206 /nfs/dbraw/zinc/04/12/06/1080041206.db2.gz PSOXFYHDVDGANM-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](C)CCCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588475873 1080041216 /nfs/dbraw/zinc/04/12/16/1080041216.db2.gz PSOXFYHDVDGANM-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588483483 1080046385 /nfs/dbraw/zinc/04/63/85/1080046385.db2.gz LSBPNOKDBNWBQC-NSHDSACASA-N -1 3 363.491 2.541 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001588482204 1080046714 /nfs/dbraw/zinc/04/67/14/1080046714.db2.gz SKZLRKOOGKFMIC-CYBMUJFWSA-N -1 3 374.514 2.563 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001588482204 1080046719 /nfs/dbraw/zinc/04/67/19/1080046719.db2.gz SKZLRKOOGKFMIC-CYBMUJFWSA-N -1 3 374.514 2.563 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588483499 1080046963 /nfs/dbraw/zinc/04/69/63/1080046963.db2.gz MCIKPHZBCQIHGH-ZDUSSCGKSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001588484756 1080048743 /nfs/dbraw/zinc/04/87/43/1080048743.db2.gz MAUHEZPAWFNYPU-JTQLQIEISA-N -1 3 363.491 2.541 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588484334 1080049070 /nfs/dbraw/zinc/04/90/70/1080049070.db2.gz AYJCIDOPBDSKTO-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588484334 1080049079 /nfs/dbraw/zinc/04/90/79/1080049079.db2.gz AYJCIDOPBDSKTO-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001588484757 1080049130 /nfs/dbraw/zinc/04/91/30/1080049130.db2.gz MAUHEZPAWFNYPU-SNVBAGLBSA-N -1 3 363.491 2.541 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588488209 1080051892 /nfs/dbraw/zinc/05/18/92/1080051892.db2.gz FXHCWCMZVGLWEY-SVGDTCPJSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588488209 1080051899 /nfs/dbraw/zinc/05/18/99/1080051899.db2.gz FXHCWCMZVGLWEY-SVGDTCPJSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@@](C)(CCOC)COC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588499941 1080061427 /nfs/dbraw/zinc/06/14/27/1080061427.db2.gz PJPNBEIBXSAFKH-IBGZPJMESA-N -1 3 358.442 2.798 20 30 FFEDHM C=C[C@@](C)(CCOC)COC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588499941 1080061435 /nfs/dbraw/zinc/06/14/35/1080061435.db2.gz PJPNBEIBXSAFKH-IBGZPJMESA-N -1 3 358.442 2.798 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588521246 1080072446 /nfs/dbraw/zinc/07/24/46/1080072446.db2.gz KBQDBYPUGXJAEO-GJZGRUSLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588521246 1080072455 /nfs/dbraw/zinc/07/24/55/1080072455.db2.gz KBQDBYPUGXJAEO-GJZGRUSLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588521775 1080075788 /nfs/dbraw/zinc/07/57/88/1080075788.db2.gz SXSNWDVNCSLVHP-HUUCEWRRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588521775 1080075795 /nfs/dbraw/zinc/07/57/95/1080075795.db2.gz SXSNWDVNCSLVHP-HUUCEWRRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OC ZINC001588526580 1080078111 /nfs/dbraw/zinc/07/81/11/1080078111.db2.gz ZATQLNZQSAAGPA-KRWDZBQOSA-N -1 3 365.393 2.585 20 30 FFEDHM C=C[C@H](Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OC ZINC001588526580 1080078119 /nfs/dbraw/zinc/07/81/19/1080078119.db2.gz ZATQLNZQSAAGPA-KRWDZBQOSA-N -1 3 365.393 2.585 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588532890 1080084106 /nfs/dbraw/zinc/08/41/06/1080084106.db2.gz ITNMFDUWBMDTAM-AWEZNQCLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588532890 1080084111 /nfs/dbraw/zinc/08/41/11/1080084111.db2.gz ITNMFDUWBMDTAM-AWEZNQCLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC[C@@H](CO)CNC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588544396 1080089022 /nfs/dbraw/zinc/08/90/22/1080089022.db2.gz FASIVIXOKYSVCK-SNVBAGLBSA-N -1 3 364.475 2.532 20 30 FFEDHM C=CC[C@@H](CO)CNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588544396 1080089031 /nfs/dbraw/zinc/08/90/31/1080089031.db2.gz FASIVIXOKYSVCK-SNVBAGLBSA-N -1 3 364.475 2.532 20 30 FFEDHM C=CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccncc1 ZINC001588547913 1080090508 /nfs/dbraw/zinc/09/05/08/1080090508.db2.gz AFTHEVCUNUKHNR-INIZCTEOSA-N -1 3 367.388 2.517 20 30 FFEDHM C=CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccncc1 ZINC001588547913 1080090515 /nfs/dbraw/zinc/09/05/15/1080090515.db2.gz AFTHEVCUNUKHNR-INIZCTEOSA-N -1 3 367.388 2.517 20 30 FFEDHM C=CCC1(NC(=O)NCc2ccc(-c3nnn[n-]3)c(OC)c2)CCCC1 ZINC001588557397 1080095012 /nfs/dbraw/zinc/09/50/12/1080095012.db2.gz OZWOHQYOUIHEMJ-UHFFFAOYSA-N -1 3 356.430 2.563 20 30 FFEDHM C=CCC1(NC(=O)NCc2ccc(-c3nn[n-]n3)c(OC)c2)CCCC1 ZINC001588557397 1080095018 /nfs/dbraw/zinc/09/50/18/1080095018.db2.gz OZWOHQYOUIHEMJ-UHFFFAOYSA-N -1 3 356.430 2.563 20 30 FFEDHM C=CCC1(CN[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001588557854 1080096499 /nfs/dbraw/zinc/09/64/99/1080096499.db2.gz VRUWKOJNZPWVCP-MRXNPFEDSA-N -1 3 355.442 2.807 20 30 FFEDHM C=CCC1(CN[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001588557854 1080096501 /nfs/dbraw/zinc/09/65/01/1080096501.db2.gz VRUWKOJNZPWVCP-MRXNPFEDSA-N -1 3 355.442 2.807 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588561331 1080098939 /nfs/dbraw/zinc/09/89/39/1080098939.db2.gz ZSUNYQIBPBCKOG-QAPCUYQASA-N -1 3 366.469 2.650 20 30 FFEDHM C=CCCC(=O)N[C@H]1CC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588569572 1080102543 /nfs/dbraw/zinc/10/25/43/1080102543.db2.gz CVEFCNCBBDRVDA-STQMWFEESA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCC(=O)N[C@H]1CC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588569572 1080102544 /nfs/dbraw/zinc/10/25/44/1080102544.db2.gz CVEFCNCBBDRVDA-STQMWFEESA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCC(=O)N[C@@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC[C@H]1C ZINC001588571940 1080104259 /nfs/dbraw/zinc/10/42/59/1080104259.db2.gz TZUPUTBMSWHTLL-AUUYWEPGSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)N[C@@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC[C@H]1C ZINC001588571940 1080104262 /nfs/dbraw/zinc/10/42/62/1080104262.db2.gz TZUPUTBMSWHTLL-AUUYWEPGSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001588577243 1080104974 /nfs/dbraw/zinc/10/49/74/1080104974.db2.gz DPPCOUWCTOYCIS-UHFFFAOYSA-N -1 3 374.445 2.758 20 30 FFEDHM C=CCCC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001588577243 1080104977 /nfs/dbraw/zinc/10/49/77/1080104977.db2.gz DPPCOUWCTOYCIS-UHFFFAOYSA-N -1 3 374.445 2.758 20 30 FFEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588581879 1080107665 /nfs/dbraw/zinc/10/76/65/1080107665.db2.gz CCJWATRMFLQSHC-LLVKDONJSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588581879 1080107668 /nfs/dbraw/zinc/10/76/68/1080107668.db2.gz CCJWATRMFLQSHC-LLVKDONJSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCCN(C)C(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001588603641 1080120285 /nfs/dbraw/zinc/12/02/85/1080120285.db2.gz STUCWPQFTVCELQ-UHFFFAOYSA-N -1 3 363.425 2.522 20 30 FFEDHM C=CCCN(C)C(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001588603641 1080120290 /nfs/dbraw/zinc/12/02/90/1080120290.db2.gz STUCWPQFTVCELQ-UHFFFAOYSA-N -1 3 363.425 2.522 20 30 FFEDHM C=CCCc1ccc(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588621311 1080125359 /nfs/dbraw/zinc/12/53/59/1080125359.db2.gz ZVUZKPCMCKAVOB-UHFFFAOYSA-N -1 3 356.407 2.753 20 30 FFEDHM C=CCCc1ccc(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588621311 1080125365 /nfs/dbraw/zinc/12/53/65/1080125365.db2.gz ZVUZKPCMCKAVOB-UHFFFAOYSA-N -1 3 356.407 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001588641417 1080134563 /nfs/dbraw/zinc/13/45/63/1080134563.db2.gz FDZSQKXOOZQVMP-MGHWNKPDSA-N -1 3 366.469 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001588641417 1080134568 /nfs/dbraw/zinc/13/45/68/1080134568.db2.gz FDZSQKXOOZQVMP-MGHWNKPDSA-N -1 3 366.469 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC=CCC1 ZINC001588641352 1080134601 /nfs/dbraw/zinc/13/46/01/1080134601.db2.gz CZURHPNHKXWXSG-HNNXBMFYSA-N -1 3 352.442 2.921 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC=CCC1 ZINC001588641352 1080134605 /nfs/dbraw/zinc/13/46/05/1080134605.db2.gz CZURHPNHKXWXSG-HNNXBMFYSA-N -1 3 352.442 2.921 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001588653765 1080143276 /nfs/dbraw/zinc/14/32/76/1080143276.db2.gz YOBDQNYNYUMQBD-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001588653765 1080143281 /nfs/dbraw/zinc/14/32/81/1080143281.db2.gz YOBDQNYNYUMQBD-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM C=CCN1CC[C@H](Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)C1=O ZINC001588657699 1080144735 /nfs/dbraw/zinc/14/47/35/1080144735.db2.gz TWTHZZFNCVZKPJ-SFHVURJKSA-N -1 3 361.405 2.699 20 30 FFEDHM C=CCN1CC[C@H](Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)C1=O ZINC001588657699 1080144740 /nfs/dbraw/zinc/14/47/40/1080144740.db2.gz TWTHZZFNCVZKPJ-SFHVURJKSA-N -1 3 361.405 2.699 20 30 FFEDHM C=CCc1cccc(F)c1OS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588694098 1080159372 /nfs/dbraw/zinc/15/93/72/1080159372.db2.gz CCYZFBHRYZFZMG-UHFFFAOYSA-N -1 3 374.397 2.810 20 30 FFEDHM C=CCc1cccc(F)c1OS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588694098 1080159377 /nfs/dbraw/zinc/15/93/77/1080159377.db2.gz CCYZFBHRYZFZMG-UHFFFAOYSA-N -1 3 374.397 2.810 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588694301 1080159513 /nfs/dbraw/zinc/15/95/13/1080159513.db2.gz HCWFLNOSPHNBOY-UHFFFAOYSA-N -1 3 356.407 2.671 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588694301 1080159516 /nfs/dbraw/zinc/15/95/16/1080159516.db2.gz HCWFLNOSPHNBOY-UHFFFAOYSA-N -1 3 356.407 2.671 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001588699515 1080160992 /nfs/dbraw/zinc/16/09/92/1080160992.db2.gz JZEQEMLULYJYIN-OLZOCXBDSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001588699515 1080160993 /nfs/dbraw/zinc/16/09/93/1080160993.db2.gz JZEQEMLULYJYIN-OLZOCXBDSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc21 ZINC001588716762 1080166996 /nfs/dbraw/zinc/16/69/96/1080166996.db2.gz KWMNKWHCFJHSLH-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc21 ZINC001588716762 1080166997 /nfs/dbraw/zinc/16/69/97/1080166997.db2.gz KWMNKWHCFJHSLH-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588719007 1080169622 /nfs/dbraw/zinc/16/96/22/1080169622.db2.gz VQLGPHZNBFLIDM-KOLCDFICSA-N -1 3 368.210 2.914 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588719007 1080169625 /nfs/dbraw/zinc/16/96/25/1080169625.db2.gz VQLGPHZNBFLIDM-KOLCDFICSA-N -1 3 368.210 2.914 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588728642 1080173927 /nfs/dbraw/zinc/17/39/27/1080173927.db2.gz UGYYVSQJBBLZEP-ZANVPECISA-N -1 3 350.220 2.632 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588728642 1080173932 /nfs/dbraw/zinc/17/39/32/1080173932.db2.gz UGYYVSQJBBLZEP-ZANVPECISA-N -1 3 350.220 2.632 20 30 FFEDHM CC#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC001588745759 1080179023 /nfs/dbraw/zinc/17/90/23/1080179023.db2.gz CLKZXPWKGAUNEK-UHFFFAOYSA-N -1 3 363.215 2.866 20 30 FFEDHM CC#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC001588745759 1080179026 /nfs/dbraw/zinc/17/90/26/1080179026.db2.gz CLKZXPWKGAUNEK-UHFFFAOYSA-N -1 3 363.215 2.866 20 30 FFEDHM CC(=NN[C@@H](C)COc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC001588776503 1080191148 /nfs/dbraw/zinc/19/11/48/1080191148.db2.gz PQNYWFBZOABAAE-LBPRGKRZSA-N -1 3 354.389 2.787 20 30 FFEDHM CC(=NN[C@@H](C)COc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776503 1080191157 /nfs/dbraw/zinc/19/11/57/1080191157.db2.gz PQNYWFBZOABAAE-LBPRGKRZSA-N -1 3 354.389 2.787 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588936552 1080272763 /nfs/dbraw/zinc/27/27/63/1080272763.db2.gz JKZRKAUQJXVUOR-UHOFOFEASA-N -1 3 374.404 2.900 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588936552 1080272772 /nfs/dbraw/zinc/27/27/72/1080272772.db2.gz JKZRKAUQJXVUOR-UHOFOFEASA-N -1 3 374.404 2.900 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1F ZINC001589015218 1080304396 /nfs/dbraw/zinc/30/43/96/1080304396.db2.gz HNOZVTSKVRFNJZ-SECBINFHSA-N -1 3 354.320 2.759 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1F ZINC001589015218 1080304402 /nfs/dbraw/zinc/30/44/02/1080304402.db2.gz HNOZVTSKVRFNJZ-SECBINFHSA-N -1 3 354.320 2.759 20 30 FFEDHM CC(C)(C(=O)N1CCc2ccc(C#N)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001589041885 1080320015 /nfs/dbraw/zinc/32/00/15/1080320015.db2.gz NXOGQIINDGQUSH-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)(C(=O)N1CCc2ccc(C#N)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001589041885 1080320021 /nfs/dbraw/zinc/32/00/21/1080320021.db2.gz NXOGQIINDGQUSH-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589389144 1080513091 /nfs/dbraw/zinc/51/30/91/1080513091.db2.gz WMGUFYGABMGNNL-KBAYOESNSA-N -1 3 369.465 2.518 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CC[C@H](C#N)C1 ZINC001589488553 1080559557 /nfs/dbraw/zinc/55/95/57/1080559557.db2.gz STSAQOBRXHCZGV-ZENOOKHLSA-N -1 3 355.398 2.506 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CC[C@H](C#N)C1 ZINC001589488553 1080559563 /nfs/dbraw/zinc/55/95/63/1080559563.db2.gz STSAQOBRXHCZGV-ZENOOKHLSA-N -1 3 355.398 2.506 20 30 FFEDHM CC(C)[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589507268 1080571290 /nfs/dbraw/zinc/57/12/90/1080571290.db2.gz GFPHSQGEUKLHPA-AEFFLSMTSA-N -1 3 366.469 2.834 20 30 FFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001589787608 1080742242 /nfs/dbraw/zinc/74/22/42/1080742242.db2.gz LXDFSWPBVHQUDQ-MRVPVSSYSA-N -1 3 369.307 2.531 20 30 FFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589787608 1080742251 /nfs/dbraw/zinc/74/22/51/1080742251.db2.gz LXDFSWPBVHQUDQ-MRVPVSSYSA-N -1 3 369.307 2.531 20 30 FFEDHM C[C@@H](C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1)NC(=O)C#CC(C)(C)C ZINC001589800278 1080755709 /nfs/dbraw/zinc/75/57/09/1080755709.db2.gz XORVEXXAOWJFBQ-STQMWFEESA-N -1 3 372.448 2.751 20 30 FFEDHM C[C@@H](C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1)NC(=O)C#CC(C)(C)C ZINC001589800278 1080755713 /nfs/dbraw/zinc/75/57/13/1080755713.db2.gz XORVEXXAOWJFBQ-STQMWFEESA-N -1 3 372.448 2.751 20 30 FFEDHM C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001589915325 1080858079 /nfs/dbraw/zinc/85/80/79/1080858079.db2.gz GXTMSTGKDJXGEN-SUMWQHHRSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589926505 1080867299 /nfs/dbraw/zinc/86/72/99/1080867299.db2.gz SHOWHMQLFROQLH-GFCCVEGCSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589926505 1080867317 /nfs/dbraw/zinc/86/73/17/1080867317.db2.gz SHOWHMQLFROQLH-GFCCVEGCSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2cccc(C#N)c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589930899 1080871747 /nfs/dbraw/zinc/87/17/47/1080871747.db2.gz HSUMVALGZPNJPJ-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2cccc(C#N)c2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589930899 1080871752 /nfs/dbraw/zinc/87/17/52/1080871752.db2.gz HSUMVALGZPNJPJ-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589937605 1080881431 /nfs/dbraw/zinc/88/14/31/1080881431.db2.gz INJYSLUVSZCEMR-OCBCSQNSSA-N -1 3 358.405 2.719 20 30 FFEDHM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589937605 1080881437 /nfs/dbraw/zinc/88/14/37/1080881437.db2.gz INJYSLUVSZCEMR-OCBCSQNSSA-N -1 3 358.405 2.719 20 30 FFEDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C#N)cc1 ZINC001589942909 1080885841 /nfs/dbraw/zinc/88/58/41/1080885841.db2.gz IMWVKMYQDYTTMY-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C#N)cc1 ZINC001589942909 1080885850 /nfs/dbraw/zinc/88/58/50/1080885850.db2.gz IMWVKMYQDYTTMY-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@H](ON=Cc1ccc(-n2cncn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590021012 1080947407 /nfs/dbraw/zinc/94/74/07/1080947407.db2.gz RLCGHMZLQHFGKA-ZDUSSCGKSA-N -1 3 360.381 2.559 20 30 FFEDHM C[C@H](ON=Cc1ccc(-n2cncn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590021012 1080947413 /nfs/dbraw/zinc/94/74/13/1080947413.db2.gz RLCGHMZLQHFGKA-ZDUSSCGKSA-N -1 3 360.381 2.559 20 30 FFEDHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590033325 1080958578 /nfs/dbraw/zinc/95/85/78/1080958578.db2.gz SKYQXJLAQGHXMZ-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590033325 1080958584 /nfs/dbraw/zinc/95/85/84/1080958584.db2.gz SKYQXJLAQGHXMZ-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NC1(C#N)CCC1 ZINC001590033558 1080959699 /nfs/dbraw/zinc/95/96/99/1080959699.db2.gz XKDPCNBZOPVXEE-VIFPVBQESA-N -1 3 362.846 2.563 20 30 FFEDHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NC1(C#N)CCC1 ZINC001590033558 1080959705 /nfs/dbraw/zinc/95/97/05/1080959705.db2.gz XKDPCNBZOPVXEE-VIFPVBQESA-N -1 3 362.846 2.563 20 30 FFEDHM CC1(C#N)CCC(Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC001590054117 1080982447 /nfs/dbraw/zinc/98/24/47/1080982447.db2.gz ITUNGFBZFCDBMQ-UHFFFAOYSA-N -1 3 362.441 2.996 20 30 FFEDHM CC1(C#N)CCC(Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001590054117 1080982451 /nfs/dbraw/zinc/98/24/51/1080982451.db2.gz ITUNGFBZFCDBMQ-UHFFFAOYSA-N -1 3 362.441 2.996 20 30 FFEDHM CC1(C)COc2c1cccc2C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590111116 1081020272 /nfs/dbraw/zinc/02/02/72/1081020272.db2.gz HJCICLYRTHZPRW-UHFFFAOYSA-N -1 3 360.377 2.661 20 30 FFEDHM CC1(C)COc2c1cccc2C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590111116 1081020279 /nfs/dbraw/zinc/02/02/79/1081020279.db2.gz HJCICLYRTHZPRW-UHFFFAOYSA-N -1 3 360.377 2.661 20 30 FFEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)OCCc2sccc21 ZINC001590133398 1081039897 /nfs/dbraw/zinc/03/98/97/1081039897.db2.gz BHKZICZHRSLCPK-KRWDZBQOSA-N -1 3 352.423 2.700 20 30 FFEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)OCCc2sccc21 ZINC001590133398 1081039902 /nfs/dbraw/zinc/03/99/02/1081039902.db2.gz BHKZICZHRSLCPK-KRWDZBQOSA-N -1 3 352.423 2.700 20 30 FFEDHM C[C@@H]1CC[C@H](OC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC001590241731 1081116388 /nfs/dbraw/zinc/11/63/88/1081116388.db2.gz XYBZQVYTLAGOME-GFOFROLCSA-N -1 3 353.426 2.917 20 30 FFEDHM C[C@@H]1CC[C@H](OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC001590241731 1081116390 /nfs/dbraw/zinc/11/63/90/1081116390.db2.gz XYBZQVYTLAGOME-GFOFROLCSA-N -1 3 353.426 2.917 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000173529966 251200727 /nfs/dbraw/zinc/20/07/27/251200727.db2.gz NDGBMMQNBICOON-NSHDSACASA-N -1 3 369.396 2.749 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000288705880 257219507 /nfs/dbraw/zinc/21/95/07/257219507.db2.gz YXUVJLIQRQDIMD-DJJJIMSYSA-N -1 3 351.406 2.847 20 30 FFEDHM CCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000055918370 506887151 /nfs/dbraw/zinc/88/71/51/506887151.db2.gz IVPSGISKMUDHSK-UHFFFAOYSA-N -1 3 357.385 2.973 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(C)(C)C)ns1 ZINC000068073537 507099893 /nfs/dbraw/zinc/09/98/93/507099893.db2.gz KSBVGPYRBWWYPP-UHFFFAOYSA-N -1 3 359.455 2.584 20 30 FFEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n(C(C)(C)C)n1 ZINC000047234147 507289323 /nfs/dbraw/zinc/28/93/23/507289323.db2.gz JFASHNNRZUATLZ-UHFFFAOYSA-N -1 3 355.442 2.695 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OCC#N)cc3)nc2)n1 ZINC000068699836 507301860 /nfs/dbraw/zinc/30/18/60/507301860.db2.gz YNRMZOQSIULGFM-UHFFFAOYSA-N -1 3 361.405 2.909 20 30 FFEDHM CCOc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1[N+](=O)[O-] ZINC000064372435 507792932 /nfs/dbraw/zinc/79/29/32/507792932.db2.gz HMTLLHZRNAGXLT-UHFFFAOYSA-N -1 3 354.326 2.810 20 30 FFEDHM CCOc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1[N+](=O)[O-] ZINC000064372435 507792936 /nfs/dbraw/zinc/79/29/36/507792936.db2.gz HMTLLHZRNAGXLT-UHFFFAOYSA-N -1 3 354.326 2.810 20 30 FFEDHM N#Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)nc2ccccc12 ZINC000089589541 507848384 /nfs/dbraw/zinc/84/83/84/507848384.db2.gz HZBIZNXIMSPCML-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1cccc(C#N)c1 ZINC000078768295 507905734 /nfs/dbraw/zinc/90/57/34/507905734.db2.gz PUNRKJZKHYDHSM-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000091056499 507948333 /nfs/dbraw/zinc/94/83/33/507948333.db2.gz LFIYRUARHKZAPU-OAHLLOKOSA-N -1 3 352.362 2.502 20 30 FFEDHM C=CCOc1ccccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000092937683 508108972 /nfs/dbraw/zinc/10/89/72/508108972.db2.gz JCPXVDSSFUEVGB-UHFFFAOYSA-N -1 3 352.434 2.915 20 30 FFEDHM N#CC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCOCC1 ZINC000094151352 508170412 /nfs/dbraw/zinc/17/04/12/508170412.db2.gz XEQHVQXLNIKJTE-UHFFFAOYSA-N -1 3 350.418 2.980 20 30 FFEDHM CSc1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccn21 ZINC000076841929 508257507 /nfs/dbraw/zinc/25/75/07/508257507.db2.gz QDZARBPAFCBWRA-LBPRGKRZSA-N -1 3 366.450 2.864 20 30 FFEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1OC ZINC000076937407 508264107 /nfs/dbraw/zinc/26/41/07/508264107.db2.gz IJQJBYOJIBHONT-UHFFFAOYSA-N -1 3 350.371 2.824 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000084187966 508268591 /nfs/dbraw/zinc/26/85/91/508268591.db2.gz BWQYOOVLJLYLRV-UHFFFAOYSA-N -1 3 369.462 2.526 20 30 FFEDHM O=S(=O)([N-]CCOCC(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000103153334 508299673 /nfs/dbraw/zinc/29/96/73/508299673.db2.gz LBHWBBXGQAYYMW-UHFFFAOYSA-N -1 3 369.258 2.702 20 30 FFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](C)c1cccnc1 ZINC000115227473 508376842 /nfs/dbraw/zinc/37/68/42/508376842.db2.gz FKGWSHDNGFNJKG-OAHLLOKOSA-N -1 3 352.438 2.801 20 30 FFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000088780539 508384589 /nfs/dbraw/zinc/38/45/89/508384589.db2.gz PEZPTIHEFLEWQI-UHFFFAOYSA-N -1 3 353.831 2.803 20 30 FFEDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000156524462 508433225 /nfs/dbraw/zinc/43/32/25/508433225.db2.gz JNJZBAQKDZEXMI-INIZCTEOSA-N -1 3 364.854 2.786 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C#N)C(C)(C)C)ccc1F ZINC000122405500 508529788 /nfs/dbraw/zinc/52/97/88/508529788.db2.gz IKUVZLSOQABQMX-AWEZNQCLSA-N -1 3 369.462 2.571 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153224218 508560382 /nfs/dbraw/zinc/56/03/82/508560382.db2.gz HFPYFJNGXGVCCC-IBGZPJMESA-N -1 3 362.433 2.957 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1F ZINC000157648983 508591564 /nfs/dbraw/zinc/59/15/64/508591564.db2.gz JXRDFDHWFMQOSE-RISCZKNCSA-N -1 3 352.337 2.810 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000157649263 508591843 /nfs/dbraw/zinc/59/18/43/508591843.db2.gz JXRDFDHWFMQOSE-BXUZGUMPSA-N -1 3 352.337 2.810 20 30 FFEDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157830361 508619515 /nfs/dbraw/zinc/61/95/15/508619515.db2.gz NXZUKRCRXQYFDV-VIFPVBQESA-N -1 3 353.831 2.726 20 30 FFEDHM N#Cc1ccccc1N1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000129208691 508698709 /nfs/dbraw/zinc/69/87/09/508698709.db2.gz GITWRNJUADPLNN-UHFFFAOYSA-N -1 3 355.825 2.809 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000151308696 508997003 /nfs/dbraw/zinc/99/70/03/508997003.db2.gz KBYWSUIALSOFNN-NRFANRHFSA-N -1 3 369.465 2.950 20 30 FFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000126108879 509063893 /nfs/dbraw/zinc/06/38/93/509063893.db2.gz SPGWYVVUHKYWIR-UHFFFAOYSA-N -1 3 353.831 2.803 20 30 FFEDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCC1 ZINC000126540569 509092467 /nfs/dbraw/zinc/09/24/67/509092467.db2.gz QYQRFWOIAWXWTF-UHFFFAOYSA-N -1 3 354.447 2.963 20 30 FFEDHM C[C@H]1CCCC[C@H]1[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cccc([O-])c1 ZINC000151928594 509112783 /nfs/dbraw/zinc/11/27/83/509112783.db2.gz NSXAYWVJCIHQBA-XJKSGUPXSA-O -1 3 373.502 2.520 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)C2(C#N)CCCC2)ccc1F ZINC000133261989 509139346 /nfs/dbraw/zinc/13/93/46/509139346.db2.gz QLBDNBSENVHMTA-UHFFFAOYSA-N -1 3 367.446 2.925 20 30 FFEDHM Cc1nc(C(=O)[N-]c2nn(C(C)(C)C)cc2C#N)nn1-c1ccc(F)cc1 ZINC000266852183 509224657 /nfs/dbraw/zinc/22/46/57/509224657.db2.gz LLOGIUUCTUYSNN-UHFFFAOYSA-N -1 3 367.388 2.790 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nccn1-c1ccccc1 ZINC000192015099 509298922 /nfs/dbraw/zinc/29/89/22/509298922.db2.gz GAQKHJSEJSLEHA-UHFFFAOYSA-N -1 3 361.405 2.620 20 30 FFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000179364087 509401672 /nfs/dbraw/zinc/40/16/72/509401672.db2.gz MCPKZAXTKMDDGT-CYBMUJFWSA-N -1 3 358.529 2.696 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(Br)c1 ZINC000164964610 509548668 /nfs/dbraw/zinc/54/86/68/509548668.db2.gz KDUNVJBAKQWJNZ-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000186580849 509782392 /nfs/dbraw/zinc/78/23/92/509782392.db2.gz TYUQHVFKMNQQCC-ZBEGNZNMSA-N -1 3 370.858 2.877 20 30 FFEDHM COC(=O)c1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C ZINC000173840854 509810431 /nfs/dbraw/zinc/81/04/31/509810431.db2.gz WTKGLUGDFRNLDD-UHFFFAOYSA-N -1 3 367.405 2.530 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)[C@H](C)CC#N)cs2)c1 ZINC000183566553 509865047 /nfs/dbraw/zinc/86/50/47/509865047.db2.gz HUGACFAJHBLKSX-GFCCVEGCSA-N -1 3 372.450 2.713 20 30 FFEDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000187843110 510466120 /nfs/dbraw/zinc/46/61/20/510466120.db2.gz RQWYRLVLCKFBIG-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c1 ZINC000269742712 510533773 /nfs/dbraw/zinc/53/37/73/510533773.db2.gz WGUHQMNRWKMBIB-AWEZNQCLSA-N -1 3 364.448 2.858 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(C)c2C#N)cs1 ZINC000269769614 510542489 /nfs/dbraw/zinc/54/24/89/510542489.db2.gz FNPVZOCBSFRHGN-NSHDSACASA-N -1 3 351.453 2.509 20 30 FFEDHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000184961728 510606305 /nfs/dbraw/zinc/60/63/05/510606305.db2.gz UPJPTGBGIAKDKH-UHFFFAOYSA-N -1 3 355.872 2.752 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1F ZINC000178538160 510652727 /nfs/dbraw/zinc/65/27/27/510652727.db2.gz SGRMVWQFXNYNRJ-UHFFFAOYSA-N -1 3 372.780 2.847 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000178792218 510773645 /nfs/dbraw/zinc/77/36/45/510773645.db2.gz UZGPVVBEAWBXPD-CQSZACIVSA-N -1 3 364.854 2.656 20 30 FFEDHM Cc1ccc(C(=O)N2CCC(/N=C/c3c([O-])c(C)ncc3CO)CC2)cc1 ZINC000263844250 510852850 /nfs/dbraw/zinc/85/28/50/510852850.db2.gz MHZAAIRVEWSDCD-FSJBWODESA-N -1 3 367.449 2.620 20 30 FFEDHM O=C(N[C@H]1CCCS(=O)(=O)C1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000330235240 510944390 /nfs/dbraw/zinc/94/43/90/510944390.db2.gz TUSJSUBXDABLOG-QMMMGPOBSA-N -1 3 359.860 2.673 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000330849209 511023252 /nfs/dbraw/zinc/02/32/52/511023252.db2.gz PDQBIIABEJYKDU-VIFPVBQESA-N -1 3 351.653 2.929 20 30 FFEDHM CCN(CC)C(=O)c1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000298385672 511266858 /nfs/dbraw/zinc/26/68/58/511266858.db2.gz FGTSGKSHWWWKKO-CIAFOILYSA-N -1 3 355.438 2.689 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(C)o1 ZINC000272184018 511457312 /nfs/dbraw/zinc/45/73/12/511457312.db2.gz TVNWLLIAFDOOAQ-AWEZNQCLSA-N -1 3 352.387 2.655 20 30 FFEDHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000273575262 511539741 /nfs/dbraw/zinc/53/97/41/511539741.db2.gz HAIBIHXQLXZNDK-UHFFFAOYSA-N -1 3 364.389 2.918 20 30 FFEDHM O=C(Cc1ccc(/N=C/c2cccc([O-])c2O)cc1)N1CCSCC1 ZINC000299511416 511661340 /nfs/dbraw/zinc/66/13/40/511661340.db2.gz MMGJXFCNTRIUMC-DEDYPNTBSA-N -1 3 356.447 2.966 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(I)ccc1C ZINC000304180784 511757216 /nfs/dbraw/zinc/75/72/16/511757216.db2.gz AYWVITLTJDLYGA-SNVBAGLBSA-N -1 3 364.208 2.644 20 30 FFEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C2C3CC4CC(C3)CC2C4)s1 ZINC000328715240 511919835 /nfs/dbraw/zinc/91/98/35/511919835.db2.gz DHCZVXWYKFJGCJ-UHFFFAOYSA-N -1 3 355.485 2.854 20 30 FFEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C12CCCC2 ZINC000329267842 512017697 /nfs/dbraw/zinc/01/76/97/512017697.db2.gz HWOKOVUFZCTNLA-RYUDHWBXSA-N -1 3 373.500 2.767 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000364302604 512075922 /nfs/dbraw/zinc/07/59/22/512075922.db2.gz LPMNFXVVIMUBJF-IAGOWNOFSA-N -1 3 371.481 2.874 20 30 FFEDHM Cc1ccc([O-])c(NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 ZINC000329764649 512094618 /nfs/dbraw/zinc/09/46/18/512094618.db2.gz VYKUNJRLUWPSKT-CYBMUJFWSA-N -1 3 369.377 2.508 20 30 FFEDHM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000329883589 512105309 /nfs/dbraw/zinc/10/53/09/512105309.db2.gz RFRQWJRRPOGNHV-TXEJJXNPSA-N -1 3 369.462 2.727 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000372049094 512693690 /nfs/dbraw/zinc/69/36/90/512693690.db2.gz PGWSIPYSPAAGHG-AZUAARDMSA-N -1 3 357.454 2.530 20 30 FFEDHM C[C@H](NC(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(C)(F)F ZINC000411578138 512699842 /nfs/dbraw/zinc/69/98/42/512699842.db2.gz RQGZAZXSOIVUET-WKEGUHRASA-N -1 3 374.256 2.844 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000376523635 512857398 /nfs/dbraw/zinc/85/73/98/512857398.db2.gz WPMLCLMAWBTFHM-BUXKBTBVSA-N -1 3 369.396 2.986 20 30 FFEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)s1 ZINC000421510024 513289851 /nfs/dbraw/zinc/28/98/51/513289851.db2.gz NHZDRXVNSAGIRH-UHFFFAOYSA-N -1 3 361.448 2.549 20 30 FFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000440658303 513372681 /nfs/dbraw/zinc/37/26/81/513372681.db2.gz ZAPUOSCYSMRNSH-UHFFFAOYSA-N -1 3 353.806 2.741 20 30 FFEDHM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429579774 513415597 /nfs/dbraw/zinc/41/55/97/513415597.db2.gz RTTFBCHSJHOHQD-OAHLLOKOSA-N -1 3 361.405 2.848 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000425178195 513439387 /nfs/dbraw/zinc/43/93/87/513439387.db2.gz KAZLZLZMRPIWJT-CABZTGNLSA-N -1 3 366.266 2.871 20 30 FFEDHM N#Cc1ccc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)cc1[O-] ZINC000430098932 513551083 /nfs/dbraw/zinc/55/10/83/513551083.db2.gz KUBNSUJYILGYAZ-GOSISDBHSA-N -1 3 367.474 2.611 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000435422620 513577627 /nfs/dbraw/zinc/57/76/27/513577627.db2.gz MUKGMQOUZCPVDQ-UHFFFAOYSA-N -1 3 357.800 2.660 20 30 FFEDHM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435439661 513589318 /nfs/dbraw/zinc/58/93/18/513589318.db2.gz UHQBTBUHPBDOAX-ZBEGNZNMSA-N -1 3 366.464 2.683 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)ccc1C#N ZINC000435729263 513671199 /nfs/dbraw/zinc/67/11/99/513671199.db2.gz ABMABDWWLXTHPF-UHFFFAOYSA-N -1 3 359.382 2.691 20 30 FFEDHM N#CCC1(CNC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000435962926 513728709 /nfs/dbraw/zinc/72/87/09/513728709.db2.gz UEIJNRKTZCEAMV-UHFFFAOYSA-N -1 3 360.211 2.714 20 30 FFEDHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000451449765 513757618 /nfs/dbraw/zinc/75/76/18/513757618.db2.gz XZQNOKHJCIBAJS-LBPRGKRZSA-N -1 3 370.780 2.652 20 30 FFEDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416457711 513781785 /nfs/dbraw/zinc/78/17/85/513781785.db2.gz OPJLEWBRPAKWNU-NSHDSACASA-N -1 3 363.302 2.741 20 30 FFEDHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000443019595 513844530 /nfs/dbraw/zinc/84/45/30/513844530.db2.gz DFFCIOZFMDSSQV-UHFFFAOYSA-N -1 3 368.846 2.629 20 30 FFEDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@H](C)O1 ZINC000416609829 513865666 /nfs/dbraw/zinc/86/56/66/513865666.db2.gz VUMVJYTXOBTIIA-SCVCMEIPSA-N -1 3 362.373 2.669 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2CCC3(CCCCC3)CC2)s1 ZINC000443083560 513867031 /nfs/dbraw/zinc/86/70/31/513867031.db2.gz DCPKJMCYWDGJKS-UHFFFAOYSA-N -1 3 367.540 2.944 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCC[C@@H](C)C1 ZINC000443108139 513873572 /nfs/dbraw/zinc/87/35/72/513873572.db2.gz MDFZFJKZKFGBKM-OLZOCXBDSA-N -1 3 355.891 2.610 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N1CCCC[C@H]1C ZINC000443106059 513873669 /nfs/dbraw/zinc/87/36/69/513873669.db2.gz QYZCTMJQIGYJHU-CHWSQXEVSA-N -1 3 355.891 2.753 20 30 FFEDHM COC1([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000416624585 513873975 /nfs/dbraw/zinc/87/39/75/513873975.db2.gz ZPSDICXZGBFXCS-SNVBAGLBSA-N -1 3 362.373 2.813 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000416626570 513875459 /nfs/dbraw/zinc/87/54/59/513875459.db2.gz DBRAMDNZKBUWLP-CQSZACIVSA-N -1 3 365.480 2.567 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000451637458 513878795 /nfs/dbraw/zinc/87/87/95/513878795.db2.gz BGGRCOGEHSQNPP-SNVBAGLBSA-N -1 3 359.354 2.570 20 30 FFEDHM N#Cc1nnc2ccccc2c1NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436960697 514051459 /nfs/dbraw/zinc/05/14/59/514051459.db2.gz LBYVETDYLGBUQD-UHFFFAOYSA-N -1 3 373.416 2.924 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC)c(Oc2ccc(C)nn2)c1 ZINC000416955918 514066793 /nfs/dbraw/zinc/06/67/93/514066793.db2.gz MOUVEGVMUIUBPM-ZDUSSCGKSA-N -1 3 362.411 2.630 20 30 FFEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cn2cncn2)c1 ZINC000437936513 514272739 /nfs/dbraw/zinc/27/27/39/514272739.db2.gz SQAKMLXXDNVKHD-UHFFFAOYSA-N -1 3 373.825 2.652 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)C(=O)[N-]c1scc(C)c1C(=O)OCC ZINC000427674650 514284469 /nfs/dbraw/zinc/28/44/69/514284469.db2.gz QVADBQDIDCLTGY-GFCCVEGCSA-N -1 3 350.440 2.739 20 30 FFEDHM COc1ccc(C2([N-]S(=O)(=O)c3cccnc3C#N)CCCC2)cc1 ZINC000428239390 514431086 /nfs/dbraw/zinc/43/10/86/514431086.db2.gz GVBDRDRPEDNOOG-UHFFFAOYSA-N -1 3 357.435 2.710 20 30 FFEDHM COc1ccc2cc(C[N-]S(=O)(=O)c3cccnc3C#N)ccc2c1 ZINC000428248057 514431619 /nfs/dbraw/zinc/43/16/19/514431619.db2.gz RRVJYVKNBRWDGK-UHFFFAOYSA-N -1 3 353.403 2.594 20 30 FFEDHM CCCc1c([N-]S(=O)(=O)N2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000438817916 514447915 /nfs/dbraw/zinc/44/79/15/514447915.db2.gz IEDXHHJBWXAEOY-UHFFFAOYSA-N -1 3 373.482 2.839 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000438831713 514450542 /nfs/dbraw/zinc/45/05/42/514450542.db2.gz ZLXWZHCYOKWRRG-UHFFFAOYSA-N -1 3 363.417 2.607 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000452817573 514506022 /nfs/dbraw/zinc/50/60/22/514506022.db2.gz CQJDOJRCGIWHHN-MAUKXSAKSA-N -1 3 359.470 2.776 20 30 FFEDHM C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000450183016 514527650 /nfs/dbraw/zinc/52/76/50/514527650.db2.gz JDHGJTBJHSPCAI-UHFFFAOYSA-N -1 3 356.513 2.669 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCCC[C@@H]1C ZINC000475540025 514706973 /nfs/dbraw/zinc/70/69/73/514706973.db2.gz AFVTZKCFDRQOOQ-STQMWFEESA-N -1 3 355.891 2.753 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000475800012 514814396 /nfs/dbraw/zinc/81/43/96/514814396.db2.gz VEAZZXAICGSPED-UHFFFAOYSA-N -1 3 359.382 2.577 20 30 FFEDHM N#CC1(NC(=O)Cc2ccc(Br)cc2[O-])CCSCC1 ZINC000489581652 514905449 /nfs/dbraw/zinc/90/54/49/514905449.db2.gz ZWHFYKNCEXKZQK-UHFFFAOYSA-N -1 3 355.257 2.603 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000489724674 514951219 /nfs/dbraw/zinc/95/12/19/514951219.db2.gz ZTZXBDLAZXPIDC-INIZCTEOSA-N -1 3 353.484 2.825 20 30 FFEDHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000480742550 515066593 /nfs/dbraw/zinc/06/65/93/515066593.db2.gz CJGSBISEJHLFIT-LLVKDONJSA-N -1 3 358.847 2.610 20 30 FFEDHM COc1c(C)cnc(Cn2cnc([N-]C(=O)c3cscc3C#N)n2)c1C ZINC000509235960 515086375 /nfs/dbraw/zinc/08/63/75/515086375.db2.gz QLPXITBFLYXLNH-UHFFFAOYSA-N -1 3 368.422 2.532 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)c1C#N ZINC000480940399 515143903 /nfs/dbraw/zinc/14/39/03/515143903.db2.gz UGJQOWOZLYXQTR-UHFFFAOYSA-N -1 3 362.180 2.636 20 30 FFEDHM C=CCC1(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000456484390 515212831 /nfs/dbraw/zinc/21/28/31/515212831.db2.gz JNHNHILTXHQPSJ-UHFFFAOYSA-N -1 3 356.513 2.669 20 30 FFEDHM C=CC(C)(C)CNC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000458984346 515247858 /nfs/dbraw/zinc/24/78/58/515247858.db2.gz FYXJTCSXXUUGNY-UHFFFAOYSA-N -1 3 371.441 2.660 20 30 FFEDHM C=CC(C)(C)CNC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000458984346 515247864 /nfs/dbraw/zinc/24/78/64/515247864.db2.gz FYXJTCSXXUUGNY-UHFFFAOYSA-N -1 3 371.441 2.660 20 30 FFEDHM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccc(CC(F)(F)F)cc1 ZINC000485993849 515289240 /nfs/dbraw/zinc/28/92/40/515289240.db2.gz MHILMKBETRGNCZ-UHFFFAOYSA-N -1 3 353.259 2.970 20 30 FFEDHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)C#N)ccc2C)cc1 ZINC000510364065 515519036 /nfs/dbraw/zinc/51/90/36/515519036.db2.gz SRDPRIICHNCREQ-CYBMUJFWSA-N -1 3 373.434 2.903 20 30 FFEDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000482239133 515620365 /nfs/dbraw/zinc/62/03/65/515620365.db2.gz ZCGAQUZVYNHOEE-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000482239133 515620372 /nfs/dbraw/zinc/62/03/72/515620372.db2.gz ZCGAQUZVYNHOEE-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000482239133 515620384 /nfs/dbraw/zinc/62/03/84/515620384.db2.gz ZCGAQUZVYNHOEE-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM N#Cc1cccnc1-n1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cn1 ZINC000469555790 515862785 /nfs/dbraw/zinc/86/27/85/515862785.db2.gz DTDCWTZSNLVGLH-UHFFFAOYSA-N -1 3 365.368 2.945 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000474300064 515979518 /nfs/dbraw/zinc/97/95/18/515979518.db2.gz WFGZTQKPCPXUSR-UHFFFAOYSA-N -1 3 354.291 2.690 20 30 FFEDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000474369148 516014950 /nfs/dbraw/zinc/01/49/50/516014950.db2.gz HSPOAHNXSWBTAX-CYBMUJFWSA-N -1 3 364.389 2.916 20 30 FFEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511905036 516073829 /nfs/dbraw/zinc/07/38/29/516073829.db2.gz HUEXIBSOEQSRNS-UHFFFAOYSA-N -1 3 363.421 2.844 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000528416512 516419542 /nfs/dbraw/zinc/41/95/42/516419542.db2.gz NVVYRRMEULBXAV-VHSXEESVSA-N -1 3 364.345 2.564 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C2(C#N)CC(C)C2)c(F)cc1F ZINC000531563671 516528008 /nfs/dbraw/zinc/52/80/08/516528008.db2.gz JGSOZSSGXYNHEH-UHFFFAOYSA-N -1 3 371.409 2.995 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc2C1 ZINC000558095276 516590624 /nfs/dbraw/zinc/59/06/24/516590624.db2.gz KQLKRJXSMXYGDA-LBPRGKRZSA-N -1 3 366.801 2.633 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)C[C@H](C)C#N)nc(=O)c2c1C ZINC000513763556 516745042 /nfs/dbraw/zinc/74/50/42/516745042.db2.gz ZEKNQNXSFDJCKQ-MWLCHTKSSA-N -1 3 362.455 2.622 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C3CC3)c2)cc1Cl ZINC000528921115 516797005 /nfs/dbraw/zinc/79/70/05/516797005.db2.gz SYQBENHJYCADLY-CYBMUJFWSA-N -1 3 358.785 2.841 20 30 FFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccnc4c3nnn4C)sc2C1 ZINC000558670628 516876623 /nfs/dbraw/zinc/87/66/23/516876623.db2.gz ZFOGSOLKSITGGB-VIFPVBQESA-N -1 3 352.423 2.674 20 30 FFEDHM C=CC[C@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000562079059 516910793 /nfs/dbraw/zinc/91/07/93/516910793.db2.gz GIQFVFOHJDSCNQ-AWEZNQCLSA-N -1 3 374.528 2.861 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc3c(c2)ncn3C)no1 ZINC000545731805 517347247 /nfs/dbraw/zinc/34/72/47/517347247.db2.gz RWZFUPVLUJJUIE-UHFFFAOYSA-N -1 3 374.404 2.998 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000527043295 517467927 /nfs/dbraw/zinc/46/79/27/517467927.db2.gz RZRLHRHDJHSWRM-WCQYABFASA-N -1 3 360.863 2.724 20 30 FFEDHM N#Cc1cnccc1[N-]C(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000520920205 517551157 /nfs/dbraw/zinc/55/11/57/517551157.db2.gz BQPMZOWFSDUKHJ-UHFFFAOYSA-N -1 3 355.448 2.899 20 30 FFEDHM CCCc1[nH]nc(C(=O)[N-]c2nc(C)c(SCC#N)s2)c1[N+](=O)[O-] ZINC000521036441 517586471 /nfs/dbraw/zinc/58/64/71/517586471.db2.gz HDBAPUZCXQLIOT-UHFFFAOYSA-N -1 3 366.428 2.903 20 30 FFEDHM N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc4c(cc3[O-])CCCC4)C2)nc1 ZINC000553243260 517596531 /nfs/dbraw/zinc/59/65/31/517596531.db2.gz LHPHVDVVROHLFX-KRWDZBQOSA-N -1 3 363.417 2.831 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000553439785 517714119 /nfs/dbraw/zinc/71/41/19/517714119.db2.gz NEIMJSIFLUSRFN-UHFFFAOYSA-N -1 3 370.453 2.504 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000542765513 517725574 /nfs/dbraw/zinc/72/55/74/517725574.db2.gz IBJDCAXRMSYJQC-GFCCVEGCSA-N -1 3 353.831 2.700 20 30 FFEDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCCC1 ZINC000530617759 517882958 /nfs/dbraw/zinc/88/29/58/517882958.db2.gz UGDLBAYFAIFENE-MRXNPFEDSA-N -1 3 354.447 2.961 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000516943205 517929735 /nfs/dbraw/zinc/92/97/35/517929735.db2.gz UEFBZFCSNFVNPB-SNVBAGLBSA-N -1 3 351.653 2.929 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H](C(=O)OC)c1c(F)cccc1Cl ZINC000543143266 517930833 /nfs/dbraw/zinc/93/08/33/517930833.db2.gz DVMNZEDYJJADQL-NSHDSACASA-N -1 3 357.794 2.969 20 30 FFEDHM Cc1cc([C@H](C#N)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)nc(C)n1 ZINC000539198596 517946585 /nfs/dbraw/zinc/94/65/85/517946585.db2.gz RRWBACOTIYOGDM-INIZCTEOSA-N -1 3 374.404 2.810 20 30 FFEDHM C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(C)C ZINC000563518873 517955736 /nfs/dbraw/zinc/95/57/36/517955736.db2.gz DPNYOJSASOOUMH-SJORKVTESA-N -1 3 351.491 2.581 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)CCCC1 ZINC000517072545 518012428 /nfs/dbraw/zinc/01/24/28/518012428.db2.gz XIKPFFJJDVPFEN-OAHLLOKOSA-N -1 3 368.524 2.955 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nc2c(s1)CCC2 ZINC000569694464 518244952 /nfs/dbraw/zinc/24/49/52/518244952.db2.gz VIHBNFBCBUWDMQ-JTQLQIEISA-N -1 3 365.455 2.823 20 30 FFEDHM N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCc2c(=O)[n-]cnc2C1 ZINC000581386812 518260429 /nfs/dbraw/zinc/26/04/29/518260429.db2.gz OKKHLHPKGMMVAD-UHFFFAOYSA-N -1 3 357.295 2.582 20 30 FFEDHM N#CC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000584448223 518345858 /nfs/dbraw/zinc/34/58/58/518345858.db2.gz YSMPKUFNPMCSGF-UHFFFAOYSA-N -1 3 373.409 2.660 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000581885599 518485873 /nfs/dbraw/zinc/48/58/73/518485873.db2.gz FQOAHLRUSOQGRT-MAUKXSAKSA-N -1 3 357.454 2.626 20 30 FFEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1F ZINC000570394050 518584262 /nfs/dbraw/zinc/58/42/62/518584262.db2.gz DLBCBSMKMMYHNS-CYBMUJFWSA-N -1 3 355.373 2.592 20 30 FFEDHM N#Cc1ccc(Oc2cccc(C(=O)NCCCc3cc(=O)[nH][n-]3)c2)cc1 ZINC000588875975 518855287 /nfs/dbraw/zinc/85/52/87/518855287.db2.gz NLAWVGYRNDWLEL-UHFFFAOYSA-N -1 3 362.389 2.736 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000582662949 518863951 /nfs/dbraw/zinc/86/39/51/518863951.db2.gz HVLUNCWPKRDWMK-RYUDHWBXSA-N -1 3 361.236 2.880 20 30 FFEDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1 ZINC000574108693 518990645 /nfs/dbraw/zinc/99/06/45/518990645.db2.gz YIXKSTRHKVWIFS-SNVBAGLBSA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000565512464 518991413 /nfs/dbraw/zinc/99/14/13/518991413.db2.gz WTJDJEOSKHUSFC-UHFFFAOYSA-N -1 3 371.281 2.903 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1ccc2ccccc2c1 ZINC000583349568 519200417 /nfs/dbraw/zinc/20/04/17/519200417.db2.gz MXTFRIURQHRQFB-QGZVFWFLSA-N -1 3 374.462 2.913 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN(c3ccccc3)C2)s1 ZINC000577699071 519209449 /nfs/dbraw/zinc/20/94/49/519209449.db2.gz JEXYSNUNHJGUOX-CQSZACIVSA-N -1 3 361.492 2.815 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)co1 ZINC000590610270 519289100 /nfs/dbraw/zinc/28/91/00/519289100.db2.gz SFKXNPFSPDDZJB-UHFFFAOYSA-N -1 3 354.288 2.854 20 30 FFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000590618013 519290997 /nfs/dbraw/zinc/29/09/97/519290997.db2.gz RHRTTZBKLNGXGS-SFHVURJKSA-N -1 3 371.387 2.622 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000591326753 519591904 /nfs/dbraw/zinc/59/19/04/519591904.db2.gz RQGBHPSMRIGLEI-SNVBAGLBSA-N -1 3 365.199 2.787 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594473521 519984787 /nfs/dbraw/zinc/98/47/87/519984787.db2.gz LACFIDYFPWMPNZ-HOCLYGCPSA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594492603 520001883 /nfs/dbraw/zinc/00/18/83/520001883.db2.gz YRHMBQCTKBMXEL-GFCCVEGCSA-N -1 3 354.859 2.982 20 30 FFEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)CC ZINC000594719782 520109928 /nfs/dbraw/zinc/10/99/28/520109928.db2.gz GRFLSWQFFZXYRR-NSHDSACASA-N -1 3 361.261 2.818 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@H](O)C(F)F ZINC000594777238 520150822 /nfs/dbraw/zinc/15/08/22/520150822.db2.gz PIOPGMVMWLTUCO-YPMHNXCESA-N -1 3 374.434 2.764 20 30 FFEDHM CC[C@@]1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCOC1 ZINC000594781666 520154894 /nfs/dbraw/zinc/15/48/94/520154894.db2.gz WWMRPVKVGISVAR-MRXNPFEDSA-N -1 3 350.465 2.929 20 30 FFEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CC1 ZINC000594780587 520154961 /nfs/dbraw/zinc/15/49/61/520154961.db2.gz FCNWBMWRFJNXLY-UHFFFAOYSA-N -1 3 373.272 2.820 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000594819420 520171799 /nfs/dbraw/zinc/17/17/99/520171799.db2.gz QBGDAKBCVZTBTD-GFCCVEGCSA-N -1 3 356.410 2.736 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000594846836 520185711 /nfs/dbraw/zinc/18/57/11/520185711.db2.gz UUWAJRSQCQHLID-UHFFFAOYSA-N -1 3 360.819 2.652 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1(F)F ZINC000594858975 520193705 /nfs/dbraw/zinc/19/37/05/520193705.db2.gz WMQSWWXGJJFHKX-LLVKDONJSA-N -1 3 365.199 2.644 20 30 FFEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594869447 520198595 /nfs/dbraw/zinc/19/85/95/520198595.db2.gz KXBUXZUNDMCINE-UHFFFAOYSA-N -1 3 370.858 2.879 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1 ZINC000594884871 520206435 /nfs/dbraw/zinc/20/64/35/520206435.db2.gz XPSYLJDOZJEMIE-UHFFFAOYSA-N -1 3 368.430 2.755 20 30 FFEDHM CC(C)(C)OC(=O)COc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000595244736 520368516 /nfs/dbraw/zinc/36/85/16/520368516.db2.gz LHPGWXOHVQAEFK-HNNXBMFYSA-N -1 3 353.378 2.687 20 30 FFEDHM CCO[C@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)C1CC1 ZINC000600646530 520373213 /nfs/dbraw/zinc/37/32/13/520373213.db2.gz QMQDSBKYWZBGPZ-QGZVFWFLSA-N -1 3 352.456 2.926 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000592466686 520401659 /nfs/dbraw/zinc/40/16/59/520401659.db2.gz KKYUXDSQXNACKY-UHFFFAOYSA-N -1 3 367.453 2.930 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(CC#N)c2)cc1OC ZINC000604187029 520477709 /nfs/dbraw/zinc/47/77/09/520477709.db2.gz ABIPHHNQICVLMA-UHFFFAOYSA-N -1 3 373.434 2.775 20 30 FFEDHM N#Cc1cccc(COc2cccc(CN[C@@H](C(=O)[O-])[C@@H]3CCCO3)c2)c1 ZINC000600943032 520549209 /nfs/dbraw/zinc/54/92/09/520549209.db2.gz POCVMNCDFUELSG-VQTJNVASSA-N -1 3 366.417 2.859 20 30 FFEDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000592948792 520658040 /nfs/dbraw/zinc/65/80/40/520658040.db2.gz ARWKJPFGIKKFDB-CQSZACIVSA-N -1 3 355.417 2.739 20 30 FFEDHM CC(C)([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)Nc1ccccc1 ZINC000613920047 520727566 /nfs/dbraw/zinc/72/75/66/520727566.db2.gz VZPCMVXZKZVLLV-UHFFFAOYSA-N -1 3 363.483 2.797 20 30 FFEDHM Cc1nc([N-]C(=O)c2ccc(F)c(F)c2F)n(-c2ccc(C#N)cc2)n1 ZINC000610704323 520804740 /nfs/dbraw/zinc/80/47/40/520804740.db2.gz WGJIULIVVJWHRL-UHFFFAOYSA-N -1 3 357.295 2.539 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c(F)c1 ZINC000610711804 520808206 /nfs/dbraw/zinc/80/82/06/520808206.db2.gz LBOTXYDJBSKBPA-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3noc4c3CCCC4)sc2C1 ZINC000598888340 520902818 /nfs/dbraw/zinc/90/28/18/520902818.db2.gz KHDCJTVLSHJWDX-UHFFFAOYSA-N -1 3 370.434 2.643 20 30 FFEDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000611026063 520952141 /nfs/dbraw/zinc/95/21/41/520952141.db2.gz OKHUINLNQDVIEB-UHFFFAOYSA-N -1 3 365.842 2.526 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(F)c1 ZINC000611114193 520991721 /nfs/dbraw/zinc/99/17/21/520991721.db2.gz NRKXNEPMPWZFBL-OAHLLOKOSA-N -1 3 353.419 2.535 20 30 FFEDHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000611144602 521007103 /nfs/dbraw/zinc/00/71/03/521007103.db2.gz JRXNBIFKYQOZPQ-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](CN1CCCC1)c1ccccc1 ZINC000593527780 521051056 /nfs/dbraw/zinc/05/10/56/521051056.db2.gz JTSRVRVPMBTAFK-HNNXBMFYSA-N -1 3 361.492 2.735 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000593537604 521061212 /nfs/dbraw/zinc/06/12/12/521061212.db2.gz GKQRQXIKVMTUTR-UHFFFAOYSA-N -1 3 350.465 2.895 20 30 FFEDHM O=C(CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[N-]CC(F)(F)F ZINC000618449713 521069798 /nfs/dbraw/zinc/06/97/98/521069798.db2.gz IMWNTLZCPAXKDW-RNFRBKRXSA-N -1 3 360.220 2.728 20 30 FFEDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Cl)cc1 ZINC000593593691 521096923 /nfs/dbraw/zinc/09/69/23/521096923.db2.gz YIDZAXWYVWWMPB-CYBMUJFWSA-N -1 3 369.899 2.854 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cncc(C#N)c2)c2cc(F)ccc2O1 ZINC000593636936 521123189 /nfs/dbraw/zinc/12/31/89/521123189.db2.gz PFVBCRJERHYAJN-HNNXBMFYSA-N -1 3 361.398 2.673 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000615744591 521519310 /nfs/dbraw/zinc/51/93/10/521519310.db2.gz XYLKIAOYFWXWOE-NSHDSACASA-N -1 3 360.863 2.582 20 30 FFEDHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619753414 521854280 /nfs/dbraw/zinc/85/42/80/521854280.db2.gz DZADILBSZMHYPA-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM C=CC(C)(C)CCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000626474081 522215994 /nfs/dbraw/zinc/21/59/94/522215994.db2.gz UMTCYSVOIMPDGE-UHFFFAOYSA-N -1 3 369.462 2.990 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625240174 523282795 /nfs/dbraw/zinc/28/27/95/523282795.db2.gz XHASCOCNXGCSNG-JTQLQIEISA-N -1 3 366.252 2.502 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CNc3ccc(C#N)cn3)c2)n1 ZINC000497637332 561505354 /nfs/dbraw/zinc/50/53/54/561505354.db2.gz SRJMRHQMJYFFME-UHFFFAOYSA-N -1 3 374.404 2.729 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-n2cccn2)cc1 ZINC000819773969 607252468 /nfs/dbraw/zinc/25/24/68/607252468.db2.gz YXLLWIPOORNUTE-UHFFFAOYSA-N -1 3 358.409 2.566 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC000819773969 607252469 /nfs/dbraw/zinc/25/24/69/607252469.db2.gz YXLLWIPOORNUTE-UHFFFAOYSA-N -1 3 358.409 2.566 20 30 FFEDHM C[C@H](C#N)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735504447 598895797 /nfs/dbraw/zinc/89/57/97/598895797.db2.gz NPKHNCXFQMFIRS-CYBMUJFWSA-N -1 3 364.384 2.694 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000737716133 598915750 /nfs/dbraw/zinc/91/57/50/598915750.db2.gz LNLAGGPEOAQUNG-BQYQJAHWSA-N -1 3 373.401 3.000 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000737716133 598915752 /nfs/dbraw/zinc/91/57/52/598915752.db2.gz LNLAGGPEOAQUNG-BQYQJAHWSA-N -1 3 373.401 3.000 20 30 FFEDHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736056706 598924542 /nfs/dbraw/zinc/92/45/42/598924542.db2.gz CULNLHKQJLGWRZ-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736056706 598924544 /nfs/dbraw/zinc/92/45/44/598924544.db2.gz CULNLHKQJLGWRZ-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1-c1nnn[n-]1 ZINC000737708774 598927031 /nfs/dbraw/zinc/92/70/31/598927031.db2.gz IPKZTKWZDXJAJB-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1-c1nn[n-]n1 ZINC000737708774 598927032 /nfs/dbraw/zinc/92/70/32/598927032.db2.gz IPKZTKWZDXJAJB-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1ccc(NC(=O)c2sccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000737719765 598927426 /nfs/dbraw/zinc/92/74/26/598927426.db2.gz VQYKPLNZDWJDBT-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM N#Cc1ccc(NC(=O)c2sccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000737719765 598927428 /nfs/dbraw/zinc/92/74/28/598927428.db2.gz VQYKPLNZDWJDBT-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM C=CCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000819759053 607253701 /nfs/dbraw/zinc/25/37/01/607253701.db2.gz MSWZYLFXJBZXKK-UHFFFAOYSA-N -1 3 364.409 2.564 20 30 FFEDHM C=CCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000819759053 607253702 /nfs/dbraw/zinc/25/37/02/607253702.db2.gz MSWZYLFXJBZXKK-UHFFFAOYSA-N -1 3 364.409 2.564 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCN(CCC#N)CC(C)(C)C ZINC000737031333 598986176 /nfs/dbraw/zinc/98/61/76/598986176.db2.gz GCXZFJHEJRQPGO-UHFFFAOYSA-N -1 3 358.446 2.516 20 30 FFEDHM C=CCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1-c1nnn[n-]1 ZINC000735443169 599030179 /nfs/dbraw/zinc/03/01/79/599030179.db2.gz RTVJVBMNBVPZMD-UHFFFAOYSA-N -1 3 364.438 2.549 20 30 FFEDHM C=CCn1c(-c2cnn(C)c2)csc1=Nc1ccccc1-c1nn[n-]n1 ZINC000735443169 599030181 /nfs/dbraw/zinc/03/01/81/599030181.db2.gz RTVJVBMNBVPZMD-UHFFFAOYSA-N -1 3 364.438 2.549 20 30 FFEDHM CN(Cc1cccc(C#N)c1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736822710 599041371 /nfs/dbraw/zinc/04/13/71/599041371.db2.gz QNAYWWRBMHUYCR-UHFFFAOYSA-N -1 3 359.315 2.789 20 30 FFEDHM CN(Cc1cccc(C#N)c1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736822710 599041373 /nfs/dbraw/zinc/04/13/73/599041373.db2.gz QNAYWWRBMHUYCR-UHFFFAOYSA-N -1 3 359.315 2.789 20 30 FFEDHM N#CCc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737698157 599066305 /nfs/dbraw/zinc/06/63/05/599066305.db2.gz UKEVOVMUQOXAAN-UHFFFAOYSA-N -1 3 368.397 2.803 20 30 FFEDHM N#CCc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737698157 599066307 /nfs/dbraw/zinc/06/63/07/599066307.db2.gz UKEVOVMUQOXAAN-UHFFFAOYSA-N -1 3 368.397 2.803 20 30 FFEDHM CCn1nc(C)c(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1C ZINC000736727029 599154084 /nfs/dbraw/zinc/15/40/84/599154084.db2.gz ACEICQKGZSGKRG-SOFGYWHQSA-N -1 3 352.398 2.605 20 30 FFEDHM CCn1nc(C)c(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1C ZINC000736727029 599154087 /nfs/dbraw/zinc/15/40/87/599154087.db2.gz ACEICQKGZSGKRG-SOFGYWHQSA-N -1 3 352.398 2.605 20 30 FFEDHM COCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737017228 599154430 /nfs/dbraw/zinc/15/44/30/599154430.db2.gz LSXGCMPIOZXUEV-MDZDMXLPSA-N -1 3 363.421 2.965 20 30 FFEDHM COCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737017228 599154433 /nfs/dbraw/zinc/15/44/33/599154433.db2.gz LSXGCMPIOZXUEV-MDZDMXLPSA-N -1 3 363.421 2.965 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1C#N ZINC000737081667 599155646 /nfs/dbraw/zinc/15/56/46/599155646.db2.gz RCITVZIRVKKKGH-ALCCZGGFSA-N -1 3 374.404 2.699 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1C#N ZINC000737081667 599155647 /nfs/dbraw/zinc/15/56/47/599155647.db2.gz RCITVZIRVKKKGH-ALCCZGGFSA-N -1 3 374.404 2.699 20 30 FFEDHM COc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc2ccccc21 ZINC000737158733 599192303 /nfs/dbraw/zinc/19/23/03/599192303.db2.gz GWCUQQQKIMIIKG-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM COc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc2ccccc21 ZINC000737158733 599192305 /nfs/dbraw/zinc/19/23/05/599192305.db2.gz GWCUQQQKIMIIKG-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@H]2CCc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000737703538 599196494 /nfs/dbraw/zinc/19/64/94/599196494.db2.gz CCJRSIZWCYHUIY-ZDUSSCGKSA-N -1 3 358.405 2.872 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@H]2CCc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000737703538 599196497 /nfs/dbraw/zinc/19/64/97/599196497.db2.gz CCJRSIZWCYHUIY-ZDUSSCGKSA-N -1 3 358.405 2.872 20 30 FFEDHM N#Cc1cc(NC(=O)CCOc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737705133 599194304 /nfs/dbraw/zinc/19/43/04/599194304.db2.gz MZCHNPIOBCUBQD-UHFFFAOYSA-N -1 3 368.784 2.799 20 30 FFEDHM N#Cc1cc(NC(=O)CCOc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000737705133 599194306 /nfs/dbraw/zinc/19/43/06/599194306.db2.gz MZCHNPIOBCUBQD-UHFFFAOYSA-N -1 3 368.784 2.799 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000737716383 599198748 /nfs/dbraw/zinc/19/87/48/599198748.db2.gz QFRFHFMKQHNXMW-OCCSQVGLSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000737716383 599198749 /nfs/dbraw/zinc/19/87/49/599198749.db2.gz QFRFHFMKQHNXMW-OCCSQVGLSA-N -1 3 366.331 2.759 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736245582 599201943 /nfs/dbraw/zinc/20/19/43/599201943.db2.gz SXIGEOUSNAOJAE-YVEFUNNKSA-N -1 3 356.455 2.547 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736245582 599201946 /nfs/dbraw/zinc/20/19/46/599201946.db2.gz SXIGEOUSNAOJAE-YVEFUNNKSA-N -1 3 356.455 2.547 20 30 FFEDHM Cc1c(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822061636 607321614 /nfs/dbraw/zinc/32/16/14/607321614.db2.gz SRBRMFMGFIFXAH-SFHVURJKSA-N -1 3 373.420 2.654 20 30 FFEDHM Cc1c(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822061636 607321615 /nfs/dbraw/zinc/32/16/15/607321615.db2.gz SRBRMFMGFIFXAH-SFHVURJKSA-N -1 3 373.420 2.654 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000737293279 598324143 /nfs/dbraw/zinc/32/41/43/598324143.db2.gz AEGUYDDVJDKCKC-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000737293279 598324144 /nfs/dbraw/zinc/32/41/44/598324144.db2.gz AEGUYDDVJDKCKC-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(C)n(CC)c1=S ZINC000735426845 598333855 /nfs/dbraw/zinc/33/38/55/598333855.db2.gz YRBWAMYHMBNFHP-UHFFFAOYSA-N -1 3 370.486 2.568 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(C)n(CC)c1=S ZINC000735426845 598333857 /nfs/dbraw/zinc/33/38/57/598333857.db2.gz YRBWAMYHMBNFHP-UHFFFAOYSA-N -1 3 370.486 2.568 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204253 598379131 /nfs/dbraw/zinc/37/91/31/598379131.db2.gz YNQDTQZHSHURIS-FPLPWBNLSA-N -1 3 363.377 2.548 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204253 598379132 /nfs/dbraw/zinc/37/91/32/598379132.db2.gz YNQDTQZHSHURIS-FPLPWBNLSA-N -1 3 363.377 2.548 20 30 FFEDHM Cc1c(C(=O)C=Cc2c[nH]nc2C(C)(C)C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202006 598640919 /nfs/dbraw/zinc/64/09/19/598640919.db2.gz IJHCEMMIWZCKTM-FPLPWBNLSA-N -1 3 365.441 2.840 20 30 FFEDHM Cc1c(C(=O)C=Cc2c[nH]nc2C(C)(C)C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202006 598640921 /nfs/dbraw/zinc/64/09/21/598640921.db2.gz IJHCEMMIWZCKTM-FPLPWBNLSA-N -1 3 365.441 2.840 20 30 FFEDHM N#Cc1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1Cl ZINC000737718803 598669835 /nfs/dbraw/zinc/66/98/35/598669835.db2.gz PIQTWJAMOPOWHM-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM N#Cc1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1Cl ZINC000737718803 598669838 /nfs/dbraw/zinc/66/98/38/598669838.db2.gz PIQTWJAMOPOWHM-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM N#Cc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737727038 598669916 /nfs/dbraw/zinc/66/99/16/598669916.db2.gz CJNVICMSALFAMV-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM N#Cc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737727038 598669919 /nfs/dbraw/zinc/66/99/19/598669919.db2.gz CJNVICMSALFAMV-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM N#Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737715800 598698517 /nfs/dbraw/zinc/69/85/17/598698517.db2.gz DZLDKCALFYLPSL-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1ccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737715800 598698518 /nfs/dbraw/zinc/69/85/18/598698518.db2.gz DZLDKCALFYLPSL-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1ccccc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737728026 598716027 /nfs/dbraw/zinc/71/60/27/598716027.db2.gz WYLSYBCLHKMGNF-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM N#Cc1ccccc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737728026 598716029 /nfs/dbraw/zinc/71/60/29/598716029.db2.gz WYLSYBCLHKMGNF-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736184577 598762404 /nfs/dbraw/zinc/76/24/04/598762404.db2.gz LXKQJPSHMZQJHO-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736184577 598762406 /nfs/dbraw/zinc/76/24/06/598762406.db2.gz LXKQJPSHMZQJHO-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1COc2ccccc21 ZINC000735419042 598822299 /nfs/dbraw/zinc/82/22/99/598822299.db2.gz PFHZEJZMLNMFOK-KRWDZBQOSA-N -1 3 361.405 2.558 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1COc2ccccc21 ZINC000735419042 598822300 /nfs/dbraw/zinc/82/23/00/598822300.db2.gz PFHZEJZMLNMFOK-KRWDZBQOSA-N -1 3 361.405 2.558 20 30 FFEDHM C[C@@H](CC#N)NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820220832 607372923 /nfs/dbraw/zinc/37/29/23/607372923.db2.gz YEZHBFVJNOBZKN-AWEZNQCLSA-N -1 3 361.409 2.671 20 30 FFEDHM C[C@@H](CC#N)NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820220832 607372925 /nfs/dbraw/zinc/37/29/25/607372925.db2.gz YEZHBFVJNOBZKN-AWEZNQCLSA-N -1 3 361.409 2.671 20 30 FFEDHM COc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737117251 599461012 /nfs/dbraw/zinc/46/10/12/599461012.db2.gz YOUXMAIVTRENNF-JYRVWZFOSA-N -1 3 372.388 2.736 20 30 FFEDHM COc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737117251 599461015 /nfs/dbraw/zinc/46/10/15/599461015.db2.gz YOUXMAIVTRENNF-JYRVWZFOSA-N -1 3 372.388 2.736 20 30 FFEDHM C=CC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819729639 599548360 /nfs/dbraw/zinc/54/83/60/599548360.db2.gz JXWPUNCCSXVFKP-UHFFFAOYSA-N -1 3 351.370 2.726 20 30 FFEDHM C=CC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819729639 599548362 /nfs/dbraw/zinc/54/83/62/599548362.db2.gz JXWPUNCCSXVFKP-UHFFFAOYSA-N -1 3 351.370 2.726 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)ccc1-c1nnn[n-]1 ZINC000822823704 599631354 /nfs/dbraw/zinc/63/13/54/599631354.db2.gz XUXJITSHYBVTSE-GHTZIAJQSA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)ccc1-c1nn[n-]n1 ZINC000822823704 599631355 /nfs/dbraw/zinc/63/13/55/599631355.db2.gz XUXJITSHYBVTSE-GHTZIAJQSA-N -1 3 370.416 2.971 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCCOc1ccc(C#N)cc1 ZINC000826252333 607388149 /nfs/dbraw/zinc/38/81/49/607388149.db2.gz ZHPWBJKIIPDMSW-UHFFFAOYSA-N -1 3 363.377 2.673 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCCOc1ccc(C#N)cc1 ZINC000826252333 607388151 /nfs/dbraw/zinc/38/81/51/607388151.db2.gz ZHPWBJKIIPDMSW-UHFFFAOYSA-N -1 3 363.377 2.673 20 30 FFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737369338 599934268 /nfs/dbraw/zinc/93/42/68/599934268.db2.gz GKQQOYUHBYLAJA-UHFFFAOYSA-N -1 3 366.421 2.852 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000819722537 607461473 /nfs/dbraw/zinc/46/14/73/607461473.db2.gz MDBARKFZZSFDJC-SDQBBNPISA-N -1 3 361.427 2.783 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000819722537 607461475 /nfs/dbraw/zinc/46/14/75/607461475.db2.gz MDBARKFZZSFDJC-SDQBBNPISA-N -1 3 361.427 2.783 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000830519401 601323793 /nfs/dbraw/zinc/32/37/93/601323793.db2.gz QXQNPKXSMGQKEC-HZPDHXFCSA-N -1 3 359.426 2.625 20 30 FFEDHM CCOc1ccc(O)c(C=NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000825643799 607527045 /nfs/dbraw/zinc/52/70/45/607527045.db2.gz VJENHEKTPKNLEL-YBFXNURJSA-N -1 3 353.382 2.599 20 30 FFEDHM CCOc1ccc(O)c(C=NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000825643799 607527046 /nfs/dbraw/zinc/52/70/46/607527046.db2.gz VJENHEKTPKNLEL-YBFXNURJSA-N -1 3 353.382 2.599 20 30 FFEDHM C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)N1C(=O)[O-] ZINC000739178883 602830767 /nfs/dbraw/zinc/83/07/67/602830767.db2.gz SRBPBLPHOWSEJA-UPJWGTAASA-N -1 3 372.450 2.545 20 30 FFEDHM COc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000826205495 607599063 /nfs/dbraw/zinc/59/90/63/607599063.db2.gz YGKFPIIYMNMJGY-CLFYSBASSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000826205495 607599064 /nfs/dbraw/zinc/59/90/64/607599064.db2.gz YGKFPIIYMNMJGY-CLFYSBASSA-N -1 3 361.361 2.504 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823932326 607599622 /nfs/dbraw/zinc/59/96/22/607599622.db2.gz UUZUXMXPZQVUIL-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823932326 607599623 /nfs/dbraw/zinc/59/96/23/607599623.db2.gz UUZUXMXPZQVUIL-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(C)=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826180277 607652737 /nfs/dbraw/zinc/65/27/37/607652737.db2.gz ACEUZPWPRZUFRI-UHFFFAOYSA-N -1 3 365.397 2.670 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(C)=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826180277 607652738 /nfs/dbraw/zinc/65/27/38/607652738.db2.gz ACEUZPWPRZUFRI-UHFFFAOYSA-N -1 3 365.397 2.670 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824385183 607733917 /nfs/dbraw/zinc/73/39/17/607733917.db2.gz NRZSSPLPJNGAJM-SNVBAGLBSA-N -1 3 353.411 2.841 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824385183 607733918 /nfs/dbraw/zinc/73/39/18/607733918.db2.gz NRZSSPLPJNGAJM-SNVBAGLBSA-N -1 3 353.411 2.841 20 30 FFEDHM CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)C1CCN(C(=O)[O-])CC1 ZINC000833854413 605670705 /nfs/dbraw/zinc/67/07/05/605670705.db2.gz VQLFDCPLVBGRLD-UHFFFAOYSA-N -1 3 362.430 2.561 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821128142 606283099 /nfs/dbraw/zinc/28/30/99/606283099.db2.gz PVZRISAMXWGTFC-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821128142 606283101 /nfs/dbraw/zinc/28/31/01/606283101.db2.gz PVZRISAMXWGTFC-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@@H]2CCc3ccc(F)cc32)nc1N ZINC000822818976 606328302 /nfs/dbraw/zinc/32/83/02/606328302.db2.gz JPXUBRMGJBZLCF-CYBMUJFWSA-N -1 3 353.386 2.634 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@@H]2CCc3ccc(F)cc32)nc1N ZINC000822818976 606328305 /nfs/dbraw/zinc/32/83/05/606328305.db2.gz JPXUBRMGJBZLCF-CYBMUJFWSA-N -1 3 353.386 2.634 20 30 FFEDHM N#Cc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1-c1nnn[n-]1 ZINC000822829996 606338204 /nfs/dbraw/zinc/33/82/04/606338204.db2.gz SIDNSEMDHUIKNH-UHFFFAOYSA-N -1 3 362.246 2.547 20 30 FFEDHM N#Cc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1-c1nn[n-]n1 ZINC000822829996 606338205 /nfs/dbraw/zinc/33/82/05/606338205.db2.gz SIDNSEMDHUIKNH-UHFFFAOYSA-N -1 3 362.246 2.547 20 30 FFEDHM N#Cc1cccnc1NCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000822842642 606461246 /nfs/dbraw/zinc/46/12/46/606461246.db2.gz RQOMUUHUKMJYED-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819759190 606492777 /nfs/dbraw/zinc/49/27/77/606492777.db2.gz PQSUUFYHBQNOQF-UHFFFAOYSA-N -1 3 350.378 2.752 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819759190 606492778 /nfs/dbraw/zinc/49/27/78/606492778.db2.gz PQSUUFYHBQNOQF-UHFFFAOYSA-N -1 3 350.378 2.752 20 30 FFEDHM COc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821769102 606596822 /nfs/dbraw/zinc/59/68/22/606596822.db2.gz CYYWWQBNCYNDKN-UHFFFAOYSA-N -1 3 372.335 2.960 20 30 FFEDHM COc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821769102 606596824 /nfs/dbraw/zinc/59/68/24/606596824.db2.gz CYYWWQBNCYNDKN-UHFFFAOYSA-N -1 3 372.335 2.960 20 30 FFEDHM C=C(C)COCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819722394 606804967 /nfs/dbraw/zinc/80/49/67/606804967.db2.gz IISDYSLJZGDNHG-UHFFFAOYSA-N -1 3 370.335 2.600 20 30 FFEDHM C=C(C)COCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819722394 606804968 /nfs/dbraw/zinc/80/49/68/606804968.db2.gz IISDYSLJZGDNHG-UHFFFAOYSA-N -1 3 370.335 2.600 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](Sc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000822842524 607013821 /nfs/dbraw/zinc/01/38/21/607013821.db2.gz MJVNBVVTZNIOKJ-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](Sc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000822842524 607013823 /nfs/dbraw/zinc/01/38/23/607013823.db2.gz MJVNBVVTZNIOKJ-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](Sc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000822842523 607014068 /nfs/dbraw/zinc/01/40/68/607014068.db2.gz MJVNBVVTZNIOKJ-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](Sc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000822842523 607014070 /nfs/dbraw/zinc/01/40/70/607014070.db2.gz MJVNBVVTZNIOKJ-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000821128646 607043201 /nfs/dbraw/zinc/04/32/01/607043201.db2.gz YPLVCDBQPAIVQS-UHFFFAOYSA-N -1 3 353.411 2.874 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000821128646 607043202 /nfs/dbraw/zinc/04/32/02/607043202.db2.gz YPLVCDBQPAIVQS-UHFFFAOYSA-N -1 3 353.411 2.874 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821719403 607151021 /nfs/dbraw/zinc/15/10/21/607151021.db2.gz DJIMALOKWBVDLR-HYXAFXHYSA-N -1 3 360.370 2.981 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820549577 607191717 /nfs/dbraw/zinc/19/17/17/607191717.db2.gz PCYBPVRMKWTQOP-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820549577 607191718 /nfs/dbraw/zinc/19/17/18/607191718.db2.gz PCYBPVRMKWTQOP-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1-c1nnn[n-]1 ZINC000822829656 607238548 /nfs/dbraw/zinc/23/85/48/607238548.db2.gz CAFMOZYAGRDYBZ-UHFFFAOYSA-N -1 3 374.404 2.635 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1-c1nn[n-]n1 ZINC000822829656 607238549 /nfs/dbraw/zinc/23/85/49/607238549.db2.gz CAFMOZYAGRDYBZ-UHFFFAOYSA-N -1 3 374.404 2.635 20 30 FFEDHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000825376704 607800037 /nfs/dbraw/zinc/80/00/37/607800037.db2.gz LQDLVYDSJBONHA-UHFFFAOYSA-N -1 3 364.434 2.884 20 30 FFEDHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000825376704 607800038 /nfs/dbraw/zinc/80/00/38/607800038.db2.gz LQDLVYDSJBONHA-UHFFFAOYSA-N -1 3 364.434 2.884 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000824034049 607833662 /nfs/dbraw/zinc/83/36/62/607833662.db2.gz GJFLOOPNCPEWBM-LBPRGKRZSA-N -1 3 369.429 2.810 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000824034049 607833663 /nfs/dbraw/zinc/83/36/63/607833663.db2.gz GJFLOOPNCPEWBM-LBPRGKRZSA-N -1 3 369.429 2.810 20 30 FFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000824004678 607915420 /nfs/dbraw/zinc/91/54/20/607915420.db2.gz CSNAACUQBMLCRY-SOFGYWHQSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000824004678 607915421 /nfs/dbraw/zinc/91/54/21/607915421.db2.gz CSNAACUQBMLCRY-SOFGYWHQSA-N -1 3 351.341 2.860 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000823909336 607927720 /nfs/dbraw/zinc/92/77/20/607927720.db2.gz AAWYMMYCOUZXMK-DLBZAZTESA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)[C@H]1CCCO1 ZINC000823909336 607927721 /nfs/dbraw/zinc/92/77/21/607927721.db2.gz AAWYMMYCOUZXMK-DLBZAZTESA-N -1 3 370.457 2.522 20 30 FFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ncc(Br)s1 ZINC000823962882 607930761 /nfs/dbraw/zinc/93/07/61/607930761.db2.gz QJPQNEMELSJYHT-UHFFFAOYSA-N -1 3 364.232 2.922 20 30 FFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ncc(Br)s1 ZINC000823962882 607930762 /nfs/dbraw/zinc/93/07/62/607930762.db2.gz QJPQNEMELSJYHT-UHFFFAOYSA-N -1 3 364.232 2.922 20 30 FFEDHM C#CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838850 607956545 /nfs/dbraw/zinc/95/65/45/607956545.db2.gz VXCNGIDSQFJXNR-KRWDZBQOSA-N -1 3 363.446 2.840 20 30 FFEDHM C#CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838850 607956546 /nfs/dbraw/zinc/95/65/46/607956546.db2.gz VXCNGIDSQFJXNR-KRWDZBQOSA-N -1 3 363.446 2.840 20 30 FFEDHM CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823954059 608092191 /nfs/dbraw/zinc/09/21/91/608092191.db2.gz XEVLRLUZFLLOKD-KOLCDFICSA-N -1 3 363.516 2.695 20 30 FFEDHM CC(=NNc1ccc(Br)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958341 608094711 /nfs/dbraw/zinc/09/47/11/608094711.db2.gz KDQNHLQTBNXNGG-UHFFFAOYSA-N -1 3 364.232 2.922 20 30 FFEDHM CCOc1ccc(C=NOCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000825639207 608150360 /nfs/dbraw/zinc/15/03/60/608150360.db2.gz UZIANFAFCIVSNB-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM CCOc1ccc(C=NOCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000825639207 608150362 /nfs/dbraw/zinc/15/03/62/608150362.db2.gz UZIANFAFCIVSNB-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM N#Cc1ccc2nc(NCCOc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000826386794 608230511 /nfs/dbraw/zinc/23/05/11/608230511.db2.gz SWKYDRPCGGKKKS-UHFFFAOYSA-N -1 3 357.377 2.777 20 30 FFEDHM Cc1nn2c(C=NNc3cccc(-c4nn[n-]n4)c3)c(C(C)C)nc2s1 ZINC000826335039 608319134 /nfs/dbraw/zinc/31/91/34/608319134.db2.gz VGVNMAJNQRVMFG-UHFFFAOYSA-N -1 3 367.442 2.849 20 30 FFEDHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)c(Cl)c1 ZINC000825376425 608345306 /nfs/dbraw/zinc/34/53/06/608345306.db2.gz GRQDNSGPNSSDBH-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)c(Cl)c1 ZINC000825376425 608345307 /nfs/dbraw/zinc/34/53/07/608345307.db2.gz GRQDNSGPNSSDBH-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(C#N)cc1 ZINC000824633853 608461442 /nfs/dbraw/zinc/46/14/42/608461442.db2.gz QVRUHMROUXUQRG-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(C#N)cc1 ZINC000824633853 608461443 /nfs/dbraw/zinc/46/14/43/608461443.db2.gz QVRUHMROUXUQRG-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)ncc1C ZINC000823909371 608476161 /nfs/dbraw/zinc/47/61/61/608476161.db2.gz APBKQQIZDNPEHI-UHFFFAOYSA-N -1 3 363.425 2.521 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)ncc1C ZINC000823909371 608476162 /nfs/dbraw/zinc/47/61/62/608476162.db2.gz APBKQQIZDNPEHI-UHFFFAOYSA-N -1 3 363.425 2.521 20 30 FFEDHM Fc1cccc2[nH]cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c21 ZINC000826378075 608537953 /nfs/dbraw/zinc/53/79/53/608537953.db2.gz TVPLLBFJGMSXOG-UHFFFAOYSA-N -1 3 356.752 2.982 20 30 FFEDHM Fc1cccc2[nH]cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c21 ZINC000826378075 608537954 /nfs/dbraw/zinc/53/79/54/608537954.db2.gz TVPLLBFJGMSXOG-UHFFFAOYSA-N -1 3 356.752 2.982 20 30 FFEDHM C=CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1cccc(C#N)c1 ZINC000823920178 608633309 /nfs/dbraw/zinc/63/33/09/608633309.db2.gz ZLZNBMWBRLBUOR-UHFFFAOYSA-N -1 3 370.420 2.574 20 30 FFEDHM C=CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1cccc(C#N)c1 ZINC000823920178 608633310 /nfs/dbraw/zinc/63/33/10/608633310.db2.gz ZLZNBMWBRLBUOR-UHFFFAOYSA-N -1 3 370.420 2.574 20 30 FFEDHM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962277 609159599 /nfs/dbraw/zinc/15/95/99/609159599.db2.gz IUIZGBBYDOSXPU-UHFFFAOYSA-N -1 3 372.314 2.996 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccccc1CC#N ZINC000824293613 609162208 /nfs/dbraw/zinc/16/22/08/609162208.db2.gz UFISXXAPXWUKSU-UHFFFAOYSA-N -1 3 374.448 2.912 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccccc1CC#N ZINC000824293613 609162210 /nfs/dbraw/zinc/16/22/10/609162210.db2.gz UFISXXAPXWUKSU-UHFFFAOYSA-N -1 3 374.448 2.912 20 30 FFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401100 609273102 /nfs/dbraw/zinc/27/31/02/609273102.db2.gz PMZMSDDXEMVBBC-KTAJNNJTSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401100 609273103 /nfs/dbraw/zinc/27/31/03/609273103.db2.gz PMZMSDDXEMVBBC-KTAJNNJTSA-N -1 3 352.325 2.673 20 30 FFEDHM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963073 609276102 /nfs/dbraw/zinc/27/61/02/609276102.db2.gz UZBNPLQNWZKOIF-UHFFFAOYSA-N -1 3 350.361 2.729 20 30 FFEDHM C=CCC(CC=C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823888541 609286299 /nfs/dbraw/zinc/28/62/99/609286299.db2.gz PRHHGDRHPAWPON-UHFFFAOYSA-N -1 3 367.388 2.898 20 30 FFEDHM Cn1cc(C=NNc2ccc(C#N)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360828 609304901 /nfs/dbraw/zinc/30/49/01/609304901.db2.gz ZSTTWPCFAKNJND-UHFFFAOYSA-N -1 3 369.392 2.585 20 30 FFEDHM Cn1cc(C=NNc2ccc(C#N)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360828 609304902 /nfs/dbraw/zinc/30/49/02/609304902.db2.gz ZSTTWPCFAKNJND-UHFFFAOYSA-N -1 3 369.392 2.585 20 30 FFEDHM CC(C)(C#N)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824059187 609356840 /nfs/dbraw/zinc/35/68/40/609356840.db2.gz OCVJKUDDKGRLGX-UHFFFAOYSA-N -1 3 367.365 2.745 20 30 FFEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)n1 ZINC000826178089 609368940 /nfs/dbraw/zinc/36/89/40/609368940.db2.gz JJPRBCRMXQHIET-SREVYHEPSA-N -1 3 353.357 2.922 20 30 FFEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)n1 ZINC000826178089 609368943 /nfs/dbraw/zinc/36/89/43/609368943.db2.gz JJPRBCRMXQHIET-SREVYHEPSA-N -1 3 353.357 2.922 20 30 FFEDHM OCC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000826507504 609472844 /nfs/dbraw/zinc/47/28/44/609472844.db2.gz PYPHMXAFFWCQPZ-UHFFFAOYSA-N -1 3 364.743 2.607 20 30 FFEDHM OCC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000826507504 609472847 /nfs/dbraw/zinc/47/28/47/609472847.db2.gz PYPHMXAFFWCQPZ-UHFFFAOYSA-N -1 3 364.743 2.607 20 30 FFEDHM Cc1cc(C)n2c(C=NNc3ccc(-c4nnn[n-]4)c(Cl)c3)cnc2n1 ZINC000826265655 609474286 /nfs/dbraw/zinc/47/42/86/609474286.db2.gz IHUKLXYNRRMMBG-UHFFFAOYSA-N -1 3 367.804 2.626 20 30 FFEDHM Cc1cc(C)n2c(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)cnc2n1 ZINC000826265655 609474288 /nfs/dbraw/zinc/47/42/88/609474288.db2.gz IHUKLXYNRRMMBG-UHFFFAOYSA-N -1 3 367.804 2.626 20 30 FFEDHM O=C1Nc2ccc(Cl)cc2C1=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826505812 609474613 /nfs/dbraw/zinc/47/46/13/609474613.db2.gz FXAKQMQBLKWNRN-UHFFFAOYSA-N -1 3 374.191 2.942 20 30 FFEDHM O=C1Nc2ccc(Cl)cc2C1=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826505812 609474615 /nfs/dbraw/zinc/47/46/15/609474615.db2.gz FXAKQMQBLKWNRN-UHFFFAOYSA-N -1 3 374.191 2.942 20 30 FFEDHM COCCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(F)cc1 ZINC000743448148 735298208 /nfs/dbraw/zinc/29/82/08/735298208.db2.gz AHJRLDPRCHUZOG-UHFFFAOYSA-N -1 3 364.442 2.728 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1CCC1 ZINC000744199467 735338246 /nfs/dbraw/zinc/33/82/46/735338246.db2.gz WAKLIOSTGHNZFD-HNNXBMFYSA-N -1 3 364.467 2.627 20 30 FFEDHM C=C(C)CCOC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744305287 735347118 /nfs/dbraw/zinc/34/71/18/735347118.db2.gz XKISJJCUSNCBTK-OAHLLOKOSA-N -1 3 364.467 2.793 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(F)c2)ccc1F ZINC000028999378 727889058 /nfs/dbraw/zinc/88/90/58/727889058.db2.gz OVWYEUHPHIVJDR-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2c(s1)CCOC2 ZINC000103330258 728495914 /nfs/dbraw/zinc/49/59/14/728495914.db2.gz GMLDWLPVERYTKP-GFCCVEGCSA-N -1 3 356.403 2.791 20 30 FFEDHM C=CCn1c(-c2sc(NC(=O)c3cncc(O)c3)nc2C)n[n-]c1=S ZINC000109942241 728529927 /nfs/dbraw/zinc/52/99/27/728529927.db2.gz LQLHQXVZCWJPLR-UHFFFAOYSA-N -1 3 374.451 2.912 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2Br)c(F)c1 ZINC000121373689 728625671 /nfs/dbraw/zinc/62/56/71/728625671.db2.gz GUAYKUUIUGDQNZ-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C1CCCC1 ZINC000163857570 728961849 /nfs/dbraw/zinc/96/18/49/728961849.db2.gz ZDCVYJZJJQFXAC-UHFFFAOYSA-N -1 3 366.458 2.530 20 30 FFEDHM CCC[C@H](C)[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000778749128 738409580 /nfs/dbraw/zinc/40/95/80/738409580.db2.gz CCKKLMJIKWFGEW-MJBXVCDLSA-N -1 3 366.483 2.872 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000179777291 729194288 /nfs/dbraw/zinc/19/42/88/729194288.db2.gz WQRDQBUPCQTFDG-GFCCVEGCSA-N -1 3 354.447 2.741 20 30 FFEDHM CCCCCCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000862358324 730691336 /nfs/dbraw/zinc/69/13/36/730691336.db2.gz CFBGZJSGPCITLG-CQSZACIVSA-N -1 3 365.499 2.590 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)cn1 ZINC000862423118 730700506 /nfs/dbraw/zinc/70/05/06/730700506.db2.gz OVQXKHOQYMNQSC-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)CCC2 ZINC000779942828 738500423 /nfs/dbraw/zinc/50/04/23/738500423.db2.gz RBPNJKHYWFMDJQ-CYBMUJFWSA-N -1 3 351.428 2.818 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000657149735 731739101 /nfs/dbraw/zinc/73/91/01/731739101.db2.gz OMNASPUWTLOVFO-UHFFFAOYSA-N -1 3 357.325 2.595 20 30 FFEDHM O=C1Nc2c(cc(Cl)cc2Br)C1=N[N-]c1cnccn1 ZINC000735612147 734953048 /nfs/dbraw/zinc/95/30/48/734953048.db2.gz FMTHCYJAGXELIJ-UHFFFAOYSA-N -1 3 352.579 2.661 20 30 FFEDHM N#Cc1csc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000748075331 735615333 /nfs/dbraw/zinc/61/53/33/735615333.db2.gz DFJGBIAZLWRILB-CQSZACIVSA-N -1 3 369.431 2.895 20 30 FFEDHM C[C@@]1(CS(=O)(=O)[N-]c2nc3cc(C#N)ccc3[nH]2)CC1(Cl)Cl ZINC000903197063 736053756 /nfs/dbraw/zinc/05/37/56/736053756.db2.gz JFDHBSCPOJDPNU-LBPRGKRZSA-N -1 3 359.238 2.760 20 30 FFEDHM O=C([C@H]1CCCN1C(=O)C(F)(F)F)N([O-])Cc1ccccc1Cl ZINC000904190135 736231970 /nfs/dbraw/zinc/23/19/70/736231970.db2.gz ICUWNDFEMBNHCF-LLVKDONJSA-N -1 3 350.724 2.611 20 30 FFEDHM Cc1cccc([C@H]([N-]S(=O)(=O)CCCCC#N)C(=O)OC(C)(C)C)c1 ZINC000907661283 736653533 /nfs/dbraw/zinc/65/35/33/736653533.db2.gz NUGROJAGXYEYDB-INIZCTEOSA-N -1 3 366.483 2.991 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908995721 736869217 /nfs/dbraw/zinc/86/92/17/736869217.db2.gz BQUGIKJXAZKGOF-HOTGVXAUSA-N -1 3 365.861 2.546 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909094977 736883263 /nfs/dbraw/zinc/88/32/63/736883263.db2.gz QTBDGKALHXRYSL-BMFZPTHFSA-N -1 3 365.861 2.544 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H](C#N)C(C)(C)C)cc1 ZINC000765634737 737139766 /nfs/dbraw/zinc/13/97/66/737139766.db2.gz QNGRDPYFYYCTNL-HNNXBMFYSA-N -1 3 368.455 2.697 20 30 FFEDHM Cc1cc(Br)cc2c1NC(=O)C2=N[N-]c1ccc(Cl)nn1 ZINC000915049464 737604145 /nfs/dbraw/zinc/60/41/45/737604145.db2.gz VYEVVHDZJCCVRB-UHFFFAOYSA-N -1 3 366.606 2.969 20 30 FFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000770390240 737621637 /nfs/dbraw/zinc/62/16/37/737621637.db2.gz FJQISAIZAKAKLW-SECBINFHSA-N -1 3 364.236 2.677 20 30 FFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000770392983 737622130 /nfs/dbraw/zinc/62/21/30/737622130.db2.gz IPDGTSCTKKNTDU-SNVBAGLBSA-N -1 3 364.236 2.677 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C)CC2)ccc1F ZINC000785636953 738984801 /nfs/dbraw/zinc/98/48/01/738984801.db2.gz DLEGGXSNDOBEQJ-ZFWWWQNUSA-N -1 3 368.474 2.989 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000773200972 737880078 /nfs/dbraw/zinc/88/00/78/737880078.db2.gz NDRIAWSKSIZRRA-CQSZACIVSA-N -1 3 367.471 2.539 20 30 FFEDHM CCCn1c(C=N[N-]S(=O)(=O)Cc2ccccc2)nc2ccccc21 ZINC000920383574 737904333 /nfs/dbraw/zinc/90/43/33/737904333.db2.gz GXZCZZKVLAYNLJ-UHFFFAOYSA-N -1 3 356.451 2.900 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000776015965 738152620 /nfs/dbraw/zinc/15/26/20/738152620.db2.gz PPDBMGQVNBRYHB-NSHDSACASA-N -1 3 372.437 2.880 20 30 FFEDHM C=C[C@@](C)(CCOC)COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000784614870 738908416 /nfs/dbraw/zinc/90/84/16/738908416.db2.gz QXJNAIWKLQVGLP-INIZCTEOSA-N -1 3 359.419 2.583 20 30 FFEDHM N#Cc1ccc([C@@H](OC(=O)c2cc3sccc3c([O-])c2)C(N)=O)cc1 ZINC000786139817 739028119 /nfs/dbraw/zinc/02/81/19/739028119.db2.gz JRAZIWBFZAARLP-MRXNPFEDSA-N -1 3 352.371 2.862 20 30 FFEDHM COc1ncc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1Cl ZINC000789001432 739307046 /nfs/dbraw/zinc/30/70/46/739307046.db2.gz YKOKYXGNFJSWSD-UHFFFAOYSA-N -1 3 353.831 2.587 20 30 FFEDHM Cc1ccsc1C(=O)[N-]n1c(C)c(Br)c(C)c(C#N)c1=O ZINC000791173898 739535285 /nfs/dbraw/zinc/53/52/85/739535285.db2.gz ZDHDDNWNRMHZMR-UHFFFAOYSA-N -1 3 366.240 2.853 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000797841713 740279355 /nfs/dbraw/zinc/27/93/55/740279355.db2.gz OKAQPOWRSAWBMD-SKDRFNHKSA-N -1 3 351.255 2.648 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](NCc2cc(Cl)ccc2[O-])[C@@H](C#N)C1 ZINC000798274776 740318755 /nfs/dbraw/zinc/31/87/55/740318755.db2.gz KJMBBALCXHAFTC-JSGCOSHPSA-N -1 3 351.834 2.894 20 30 FFEDHM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000798485287 740337512 /nfs/dbraw/zinc/33/75/12/740337512.db2.gz CEHBKXARIJJLKN-CYBMUJFWSA-N -1 3 370.883 2.516 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cnn(C2CCCC2)c1 ZINC000799881929 740460106 /nfs/dbraw/zinc/46/01/06/740460106.db2.gz VSXSMDLFRBALSQ-UHFFFAOYSA-N -1 3 360.483 2.884 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(-c2ccccc2Cl)n1 ZINC000816759637 742059442 /nfs/dbraw/zinc/05/94/42/742059442.db2.gz QVMXUFWCOFFYFI-LLVKDONJSA-N -1 3 351.815 2.574 20 30 FFEDHM C#Cc1cnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc1 ZINC000827411503 743570650 /nfs/dbraw/zinc/57/06/50/743570650.db2.gz WWMOHJPNFCXEQR-UHFFFAOYSA-N -1 3 356.813 2.672 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CC(C)(C)C)ccc1F ZINC000837228509 746397319 /nfs/dbraw/zinc/39/73/19/746397319.db2.gz IYBFQUQGXYZRDX-LBPRGKRZSA-N -1 3 356.463 2.845 20 30 FFEDHM CS(=O)(=O)CC1(C/N=C/c2cc(Br)ccc2[O-])CCC1 ZINC000840712028 747163729 /nfs/dbraw/zinc/16/37/29/747163729.db2.gz FJMVJBDCWKHNKV-LZYBPNLTSA-N -1 3 360.273 2.789 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2ccccc2Br)c1[O-] ZINC000840709081 747164010 /nfs/dbraw/zinc/16/40/10/747164010.db2.gz HFXZWABUYZSQQK-CYBCDMBKSA-N -1 3 365.227 2.503 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2ccccc2Br)c1[O-] ZINC000840709083 747164023 /nfs/dbraw/zinc/16/40/23/747164023.db2.gz HFXZWABUYZSQQK-RWMLIFJVSA-N -1 3 365.227 2.503 20 30 FFEDHM C=C(C)CONC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000845592897 748288828 /nfs/dbraw/zinc/28/88/28/748288828.db2.gz SHMOYLKHCORZDY-UHFFFAOYSA-N -1 3 367.833 2.913 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(C#CC(=O)[N-]OCCC(F)(F)F)CC1 ZINC000847771281 748776635 /nfs/dbraw/zinc/77/66/35/748776635.db2.gz VOPMWEGKBLPSFB-UHFFFAOYSA-N -1 3 364.364 2.637 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000848133602 748850965 /nfs/dbraw/zinc/85/09/65/748850965.db2.gz CHHMCWSVUONRAI-LBPRGKRZSA-N -1 3 357.237 2.912 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Br)cc2ccccc21 ZINC000848139441 748851086 /nfs/dbraw/zinc/85/10/86/748851086.db2.gz WEPZYWFKMPNJDF-CQSZACIVSA-N -1 3 363.211 2.712 20 30 FFEDHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135104 748851441 /nfs/dbraw/zinc/85/14/41/748851441.db2.gz KKBILTOTWYILMC-LBPRGKRZSA-N -1 3 367.377 2.507 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000849412315 749140309 /nfs/dbraw/zinc/14/03/09/749140309.db2.gz KXFNXBXKDFDFNY-NWDGAFQWSA-N -1 3 372.874 2.935 20 30 FFEDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736772232 944887815 /nfs/dbraw/zinc/88/78/15/944887815.db2.gz CMMXSKPRBHXAIS-ZWKOTPCHSA-N -1 3 373.420 2.547 20 30 FFEDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736772232 944887821 /nfs/dbraw/zinc/88/78/21/944887821.db2.gz CMMXSKPRBHXAIS-ZWKOTPCHSA-N -1 3 373.420 2.547 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823894466 946503980 /nfs/dbraw/zinc/50/39/80/946503980.db2.gz QQJBJGASMKTAIN-AWEZNQCLSA-N -1 3 370.457 2.837 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823894466 946503987 /nfs/dbraw/zinc/50/39/87/946503987.db2.gz QQJBJGASMKTAIN-AWEZNQCLSA-N -1 3 370.457 2.837 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823894776 946507019 /nfs/dbraw/zinc/50/70/19/946507019.db2.gz XDVNSLZGOXMBET-RHSMWYFYSA-N -1 3 354.458 2.697 20 30 FFEDHM C#CCN(Cc1ccccc1)c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001573282166 946685740 /nfs/dbraw/zinc/68/57/40/946685740.db2.gz GILDWZHVXVNFNA-UHFFFAOYSA-N -1 3 369.226 2.664 20 30 FFEDHM C#CCN(Cc1ccccc1)c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001573282166 946685745 /nfs/dbraw/zinc/68/57/45/946685745.db2.gz GILDWZHVXVNFNA-UHFFFAOYSA-N -1 3 369.226 2.664 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC001573283860 946727721 /nfs/dbraw/zinc/72/77/21/946727721.db2.gz WUHFTZBEESPBRH-UHFFFAOYSA-N -1 3 351.341 2.660 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC001573283860 946727731 /nfs/dbraw/zinc/72/77/31/946727731.db2.gz WUHFTZBEESPBRH-UHFFFAOYSA-N -1 3 351.341 2.660 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCN(CC)c1cccc(F)c1-c1nnn[n-]1 ZINC001573293389 946955650 /nfs/dbraw/zinc/95/56/50/946955650.db2.gz VEBLJYLHBFJJKH-UHFFFAOYSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCN(CC)c1cccc(F)c1-c1nn[n-]n1 ZINC001573293389 946955657 /nfs/dbraw/zinc/95/56/57/946955657.db2.gz VEBLJYLHBFJJKH-UHFFFAOYSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573314777 947236614 /nfs/dbraw/zinc/23/66/14/947236614.db2.gz HADTWGSWIVOMCF-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573314777 947236627 /nfs/dbraw/zinc/23/66/27/947236627.db2.gz HADTWGSWIVOMCF-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573316674 947280433 /nfs/dbraw/zinc/28/04/33/947280433.db2.gz YCDXXRYAHOJSFR-KBPBESRZSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573316674 947280440 /nfs/dbraw/zinc/28/04/40/947280440.db2.gz YCDXXRYAHOJSFR-KBPBESRZSA-N -1 3 372.448 2.693 20 30 FFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400678 948219162 /nfs/dbraw/zinc/21/91/62/948219162.db2.gz FAYDYSPMUXUVJT-KTAJNNJTSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400678 948219170 /nfs/dbraw/zinc/21/91/70/948219170.db2.gz FAYDYSPMUXUVJT-KTAJNNJTSA-N -1 3 352.325 2.673 20 30 FFEDHM C[C@H](NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001575254222 949199140 /nfs/dbraw/zinc/19/91/40/949199140.db2.gz VFIVXOOMJOTETO-NSHDSACASA-N -1 3 368.347 2.708 20 30 FFEDHM C[C@H](NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001575254222 949199132 /nfs/dbraw/zinc/19/91/32/949199132.db2.gz VFIVXOOMJOTETO-NSHDSACASA-N -1 3 368.347 2.708 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC(=O)OC(C)(C)C ZINC000785117847 966244368 /nfs/dbraw/zinc/24/43/68/966244368.db2.gz NNBHLAQCEDETLY-UHFFFAOYSA-N -1 3 362.426 2.873 20 30 FFEDHM C=C[C@H](C)ONC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875699912 1014063965 /nfs/dbraw/zinc/06/39/65/1014063965.db2.gz BWHHPTJUECASNV-NWDGAFQWSA-N -1 3 371.359 2.875 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])cc1 ZINC000976297705 974039035 /nfs/dbraw/zinc/03/90/35/974039035.db2.gz JENKKJAVJDSJNF-RTBURBONSA-N -1 3 362.429 2.845 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049391337 975091594 /nfs/dbraw/zinc/09/15/94/975091594.db2.gz MNGXULVKDSBUKL-HNNXBMFYSA-N -1 3 360.377 2.696 20 30 FFEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCNc1ccc(C#N)cn1 ZINC000760528457 975453049 /nfs/dbraw/zinc/45/30/49/975453049.db2.gz YGNPDOHVCYORKY-UHFFFAOYSA-N -1 3 374.397 2.537 20 30 FFEDHM C=CCN1CC[C@]2(CCN(C(=O)c3ccc([O-])c4ccccc34)C2)C1=O ZINC001271970854 979378508 /nfs/dbraw/zinc/37/85/08/979378508.db2.gz OUMVHQPZUKCVIU-OAQYLSRUSA-N -1 3 350.418 2.796 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908810114 981541743 /nfs/dbraw/zinc/54/17/43/981541743.db2.gz UKZRXQMRHQIJSL-MSOLQXFVSA-N -1 3 359.470 2.542 20 30 FFEDHM C=CCC[C@H](NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908810247 981543095 /nfs/dbraw/zinc/54/30/95/981543095.db2.gz URSGABYPKLPIRK-MSOLQXFVSA-N -1 3 359.470 2.542 20 30 FFEDHM COc1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc(OC)c1[O-] ZINC000912931265 984151049 /nfs/dbraw/zinc/15/10/49/984151049.db2.gz IUPSIFGERRJXLT-UHFFFAOYSA-N -1 3 367.405 2.696 20 30 FFEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)n[nH]1 ZINC000916943840 990062188 /nfs/dbraw/zinc/06/21/88/990062188.db2.gz ZPNIZAOABNBPLZ-OAHLLOKOSA-N -1 3 368.393 2.500 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)cc1 ZINC000747616401 994844696 /nfs/dbraw/zinc/84/46/96/994844696.db2.gz SQILIIJVVRQQAR-MLPAPPSSSA-N -1 3 371.414 2.686 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000811187746 995053646 /nfs/dbraw/zinc/05/36/46/995053646.db2.gz WREXOQLDCKZBPR-STQMWFEESA-N -1 3 350.374 2.787 20 30 FFEDHM Cc1cc(C=NN2CC(=O)[N-]C2=O)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000727254620 995730089 /nfs/dbraw/zinc/73/00/89/995730089.db2.gz YXOYCPHOIJWRDP-UHFFFAOYSA-N -1 3 362.336 2.581 20 30 FFEDHM Cc1ccccc1COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496605 999916438 /nfs/dbraw/zinc/91/64/38/999916438.db2.gz NKJQRLQEPXDIIX-AWEZNQCLSA-N -1 3 372.446 2.556 20 30 FFEDHM O=C1c2ccccc2C(=O)C(Nc2ccccc2-c2nnn[n-]2)=C1Cl ZINC001169047215 1000018487 /nfs/dbraw/zinc/01/84/87/1000018487.db2.gz GAIMPHDAWGKKQU-UHFFFAOYSA-N -1 3 351.753 2.808 20 30 FFEDHM O=C1c2ccccc2C(=O)C(Nc2ccccc2-c2nn[n-]n2)=C1Cl ZINC001169047215 1000018489 /nfs/dbraw/zinc/01/84/89/1000018489.db2.gz GAIMPHDAWGKKQU-UHFFFAOYSA-N -1 3 351.753 2.808 20 30 FFEDHM CC(C)CCOc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000769808426 1000607812 /nfs/dbraw/zinc/60/78/12/1000607812.db2.gz GOXDWYKOCDASAM-UHFFFAOYSA-N -1 3 354.414 2.940 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc2nc(C(F)(F)F)cn2c1 ZINC000770841201 1000936085 /nfs/dbraw/zinc/93/60/85/1000936085.db2.gz KUYMVQNEYXWOTK-NSHDSACASA-N -1 3 373.294 2.709 20 30 FFEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000771260497 1001062692 /nfs/dbraw/zinc/06/26/92/1001062692.db2.gz GRGYMKLNYXPXFY-HNNXBMFYSA-N -1 3 365.389 2.998 20 30 FFEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000771260499 1001062851 /nfs/dbraw/zinc/06/28/51/1001062851.db2.gz GRGYMKLNYXPXFY-OAHLLOKOSA-N -1 3 365.389 2.998 20 30 FFEDHM N#Cc1c2ccccc2sc1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182967708 1002108361 /nfs/dbraw/zinc/10/83/61/1002108361.db2.gz JILITETUKTUGEC-UHFFFAOYSA-N -1 3 351.387 2.847 20 30 FFEDHM C#Cc1cccc(NC(=O)CNC(=O)c2ccc(OCCCC)cc2[O-])c1 ZINC000789743748 1002187401 /nfs/dbraw/zinc/18/74/01/1002187401.db2.gz YZYGOPSYNNPSCV-UHFFFAOYSA-N -1 3 366.417 2.921 20 30 FFEDHM COCCN(C)c1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cn1 ZINC000790221797 1002315282 /nfs/dbraw/zinc/31/52/82/1002315282.db2.gz FTWRMHABKFURMY-ALCCZGGFSA-N -1 3 372.421 2.783 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2C[C@@]23CCCOC3)c(C)c1[O-] ZINC001183720860 1002363711 /nfs/dbraw/zinc/36/37/11/1002363711.db2.gz ATOMMYNPWXVOQJ-AUUYWEPGSA-N -1 3 358.394 2.504 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000790482439 1002389130 /nfs/dbraw/zinc/38/91/30/1002389130.db2.gz KRVUUSVHONUQFC-UHFFFAOYSA-N -1 3 357.295 2.876 20 30 FFEDHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N([O-])Cc1cccc2ccccc21 ZINC001184339055 1002573953 /nfs/dbraw/zinc/57/39/53/1002573953.db2.gz BPUPZQLDTRWPRJ-HDICACEKSA-N -1 3 366.417 2.733 20 30 FFEDHM N#Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)ccc1F ZINC001096823132 1016653323 /nfs/dbraw/zinc/65/33/23/1016653323.db2.gz FVYTWNVKJYYSOQ-LZQZEXGQSA-N -1 3 365.408 2.938 20 30 FFEDHM Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)c3ccccc3[O-])C2)c(C#N)cn1 ZINC001092492431 1003068383 /nfs/dbraw/zinc/06/83/83/1003068383.db2.gz VFRAPYWAUVVMOH-GDBMZVCRSA-N -1 3 364.449 2.860 20 30 FFEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000792583069 1003071634 /nfs/dbraw/zinc/07/16/34/1003071634.db2.gz AOGNJCZEONLTGW-MRXNPFEDSA-N -1 3 371.824 2.774 20 30 FFEDHM C=CC[C@]1(C(=O)NCc2ncccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000792611114 1003099580 /nfs/dbraw/zinc/09/95/80/1003099580.db2.gz WORLZVUJTGSONW-LJQANCHMSA-N -1 3 361.442 2.749 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC(=O)N1CCCCC1 ZINC000805371825 1004011543 /nfs/dbraw/zinc/01/15/43/1004011543.db2.gz ORGUAPVHTCTHOS-UHFFFAOYSA-N -1 3 373.453 2.544 20 30 FFEDHM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc([O-])cc1C#N ZINC001192762652 1004261362 /nfs/dbraw/zinc/26/13/62/1004261362.db2.gz RHPNYZHHHLWQCV-KRWDZBQOSA-N -1 3 353.378 2.560 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C1CCOCC1 ZINC001192789761 1004261744 /nfs/dbraw/zinc/26/17/44/1004261744.db2.gz WWYDPTLEYNJBDC-GFCCVEGCSA-N -1 3 370.883 2.656 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](c2ccc([N-]S(=O)(=O)CC#N)cc2)C1 ZINC001192981137 1004332637 /nfs/dbraw/zinc/33/26/37/1004332637.db2.gz XSZQLWWKBBSEMT-CQSZACIVSA-N -1 3 365.455 2.676 20 30 FFEDHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(C#C[Si](C)(C)C)cc1 ZINC001193058716 1004370373 /nfs/dbraw/zinc/37/03/73/1004370373.db2.gz WWCYPRRKLVYXOB-UHFFFAOYSA-N -1 3 367.543 2.999 20 30 FFEDHM CCCN1CCc2c(N)sc(NC(=O)c3ccc([O-])c(C#N)c3)c2C1 ZINC001193499434 1004496366 /nfs/dbraw/zinc/49/63/66/1004496366.db2.gz RIUKQFDWHZTIGF-UHFFFAOYSA-N -1 3 356.451 2.928 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(OC)c(F)c(OC)c1 ZINC001194287488 1004707367 /nfs/dbraw/zinc/70/73/67/1004707367.db2.gz OBZAJJHEZMZADU-UHFFFAOYSA-N -1 3 364.354 2.815 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(C#CBr)cc1 ZINC001194813307 1004822150 /nfs/dbraw/zinc/82/21/50/1004822150.db2.gz WKCQJZQCGNDHIU-UHFFFAOYSA-N -1 3 358.195 2.830 20 30 FFEDHM C#Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1F ZINC001194992314 1004866318 /nfs/dbraw/zinc/86/63/18/1004866318.db2.gz ZCMCQPBDPMUFTO-UHFFFAOYSA-N -1 3 350.346 2.570 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(C3CCCC3)n2)c1 ZINC000121521695 1004915620 /nfs/dbraw/zinc/91/56/20/1004915620.db2.gz XYLPITSGGGMFSC-INIZCTEOSA-N -1 3 352.394 2.968 20 30 FFEDHM CCOC(=O)CCCc1ccc(C#N)cc1NC([S-])=NC(=O)OCC ZINC001195492129 1004977630 /nfs/dbraw/zinc/97/76/30/1004977630.db2.gz CHJGYFRGYFCIKD-UHFFFAOYSA-N -1 3 363.439 2.887 20 30 FFEDHM CCOC(=O)CCCc1ccc(C#N)cc1NC(=S)[N-]C(=O)OCC ZINC001195492129 1004977635 /nfs/dbraw/zinc/97/76/35/1004977635.db2.gz CHJGYFRGYFCIKD-UHFFFAOYSA-N -1 3 363.439 2.887 20 30 FFEDHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(F)c1 ZINC001201287416 1005188016 /nfs/dbraw/zinc/18/80/16/1005188016.db2.gz JPVWTVDZJAUKPA-UHFFFAOYSA-N -1 3 362.382 2.983 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000776274305 1005340428 /nfs/dbraw/zinc/34/04/28/1005340428.db2.gz NGBOQIRTVFPKNN-AWEZNQCLSA-N -1 3 363.373 2.756 20 30 FFEDHM Cc1ccc(C#N)c(NC(=O)C23CC([N-]C(=O)C(F)(F)C(F)F)(C2)C3)c1 ZINC001273539686 1006062064 /nfs/dbraw/zinc/06/20/64/1006062064.db2.gz KVWVZRWKWXUDTL-UHFFFAOYSA-N -1 3 369.318 2.745 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@@]1(=O)CCc2ccccc21 ZINC001134009041 1006096155 /nfs/dbraw/zinc/09/61/55/1006096155.db2.gz DDBMSMIWMUMUGC-AREMUKBSSA-N -1 3 369.446 2.818 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2nn(CC)nc2C)cc1 ZINC000815908085 1006821634 /nfs/dbraw/zinc/82/16/34/1006821634.db2.gz RYFPDMUZPOETIF-MRXNPFEDSA-N -1 3 353.426 2.910 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000135330219 1007504574 /nfs/dbraw/zinc/50/45/74/1007504574.db2.gz JAJMRHUJFUCZCL-HNNXBMFYSA-N -1 3 371.462 2.893 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2c(Cl)cncc2Cl)c1 ZINC001190665830 1007724419 /nfs/dbraw/zinc/72/44/19/1007724419.db2.gz PGOQOEBFIUIROF-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM CSc1ccc(OCC[N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190669436 1007725644 /nfs/dbraw/zinc/72/56/44/1007725644.db2.gz QTUNFOHEIIPTTB-UHFFFAOYSA-N -1 3 366.439 2.777 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-][C@@H](Cc2ccc3ccccc3c2)C(=O)OC)CC1 ZINC001190844053 1007806761 /nfs/dbraw/zinc/80/67/61/1007806761.db2.gz XJHXIDZYPCYGGV-SFHVURJKSA-N -1 3 373.474 2.952 20 30 FFEDHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190919727 1007848101 /nfs/dbraw/zinc/84/81/01/1007848101.db2.gz FOZLWKPQZLTWAR-UHFFFAOYSA-N -1 3 369.377 2.641 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cccc(Oc2ccccc2)n1 ZINC001191146263 1007915698 /nfs/dbraw/zinc/91/56/98/1007915698.db2.gz JDQBANLMOFNLPR-UHFFFAOYSA-N -1 3 363.333 2.809 20 30 FFEDHM Cc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1C#N ZINC000859500094 1008533000 /nfs/dbraw/zinc/53/30/00/1008533000.db2.gz XERPOIXOYGLMHL-SFHVURJKSA-N -1 3 364.401 2.920 20 30 FFEDHM COC(=O)CCc1ccc([O-])c(NC(=O)c2ccc(C#N)c(OC)c2)c1 ZINC001177800486 1008751916 /nfs/dbraw/zinc/75/19/16/1008751916.db2.gz JKXSSOLEHDFXDU-UHFFFAOYSA-N -1 3 354.362 2.630 20 30 FFEDHM C#CC[C@H](CCOC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000860467763 1009015705 /nfs/dbraw/zinc/01/57/05/1009015705.db2.gz ACDFBWSXJCPNGI-OAHLLOKOSA-N -1 3 354.410 2.708 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN2C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1=O ZINC001274109168 1009404656 /nfs/dbraw/zinc/40/46/56/1009404656.db2.gz KYRMBOAHNDJCGO-KRWDZBQOSA-N -1 3 368.355 2.804 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN2C(=O)c2ccc(C(C)(C)C)cc2[O-])C1=O ZINC001274150808 1009462280 /nfs/dbraw/zinc/46/22/80/1009462280.db2.gz YGXUZNSYRBQRPT-NRFANRHFSA-N -1 3 354.450 2.530 20 30 FFEDHM C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2c(F)ccc([O-])c2F)C1=O ZINC000794483609 1010112176 /nfs/dbraw/zinc/11/21/76/1010112176.db2.gz QRVPMDQMBRTSQV-LJQANCHMSA-N -1 3 373.359 2.948 20 30 FFEDHM COc1cc(C(C)=NNc2ccnc(C)c2)ccc1OCCCC(=O)[O-] ZINC000863159512 1010117621 /nfs/dbraw/zinc/11/76/21/1010117621.db2.gz USKRQDDKGBVOQH-UHFFFAOYSA-N -1 3 357.410 2.900 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCCOC)c2)cc1 ZINC000777302286 1010476854 /nfs/dbraw/zinc/47/68/54/1010476854.db2.gz KJWYJPQYIYKQGD-KRWDZBQOSA-N -1 3 367.405 2.630 20 30 FFEDHM Cc1ccc(C#N)c(N[C@@H]2CC[C@H](CNC(=O)c3ccccc3[O-])C2)n1 ZINC001047160888 1019002248 /nfs/dbraw/zinc/00/22/48/1019002248.db2.gz IQIHSWZGAADWLO-GOEBONIOSA-N -1 3 350.422 2.978 20 30 FFEDHM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375055 1019017082 /nfs/dbraw/zinc/01/70/82/1019017082.db2.gz ARDIJFNDRHZEHY-IBGZPJMESA-N -1 3 369.396 2.772 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1 ZINC000796634850 1019456879 /nfs/dbraw/zinc/45/68/79/1019456879.db2.gz VMCSFWVDJYDHPK-CYBMUJFWSA-N -1 3 368.780 2.885 20 30 FFEDHM C=C(Br)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001098732042 1021089232 /nfs/dbraw/zinc/08/92/32/1021089232.db2.gz XNVJBYFDWCLOLU-GUYCJALGSA-N -1 3 365.271 2.885 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC001116408806 1021203078 /nfs/dbraw/zinc/20/30/78/1021203078.db2.gz NGUROBMBJVUKHY-UHFFFAOYSA-N -1 3 364.358 2.589 20 30 FFEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CNC[C@@H]2C#N)c1 ZINC001218199450 1033045727 /nfs/dbraw/zinc/04/57/27/1033045727.db2.gz AIPYSVXGPQPUJX-VYVRGQSISA-N -1 3 364.401 2.787 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ncc(Cl)c(C)c3C#N)C2)n1 ZINC001120870637 1023503112 /nfs/dbraw/zinc/50/31/12/1023503112.db2.gz CPLCTNNQTMUIQS-GFCCVEGCSA-N -1 3 358.833 2.800 20 30 FFEDHM N#Cc1c[n-]c2cnc(Cl)cc2c1=Nc1cccn(CC2CC2)c1=O ZINC001158527009 1027053460 /nfs/dbraw/zinc/05/34/60/1027053460.db2.gz DBIWKYFWGOOQPJ-UHFFFAOYSA-N -1 3 351.797 2.892 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]2C2CCCC2)ccc1F ZINC001159402685 1027379580 /nfs/dbraw/zinc/37/95/80/1027379580.db2.gz RJXBGFVODMEJSJ-MRXNPFEDSA-N -1 3 366.458 2.695 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)[N-]c3c(C#N)ccc(F)c3F)n[nH]c21 ZINC001154147463 1028165604 /nfs/dbraw/zinc/16/56/04/1028165604.db2.gz TZKLBTUTEGQVJS-UHFFFAOYSA-N -1 3 356.288 2.752 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3ccc(F)c(C#N)c3F)[n-]nc21 ZINC001154147391 1028166272 /nfs/dbraw/zinc/16/62/72/1028166272.db2.gz XESBQFIKMCHNFB-UHFFFAOYSA-N -1 3 356.288 2.752 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3ccc(F)c(C#N)c3F)n[n-]c21 ZINC001154147391 1028166280 /nfs/dbraw/zinc/16/62/80/1028166280.db2.gz XESBQFIKMCHNFB-UHFFFAOYSA-N -1 3 356.288 2.752 20 30 FFEDHM Cc1ncc(Nc2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)c(=O)[n-]1 ZINC001162299822 1028496213 /nfs/dbraw/zinc/49/62/13/1028496213.db2.gz DTHGJQJXTHGAFP-CQSZACIVSA-N -1 3 356.748 2.618 20 30 FFEDHM Cc1c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cncc1C(N)=O ZINC001163768996 1029055023 /nfs/dbraw/zinc/05/50/23/1029055023.db2.gz JWOLQAGNPRDZSX-UHFFFAOYSA-N -1 3 354.288 2.635 20 30 FFEDHM CSCC[C@@H](Nc1nc(SC)nc(Cl)c1/C=N/[O-])C(C)(C)O ZINC001157430226 1029584212 /nfs/dbraw/zinc/58/42/12/1029584212.db2.gz FGNVCIDDYRXOSS-NEFPKRPYSA-N -1 3 364.924 2.965 20 30 FFEDHM C=CCCN(OCc1ccccc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000783987247 1030392680 /nfs/dbraw/zinc/39/26/80/1030392680.db2.gz RXHUHUWTDVDHKY-UHFFFAOYSA-N -1 3 354.406 2.659 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(F)c1 ZINC000784096961 1030465784 /nfs/dbraw/zinc/46/57/84/1030465784.db2.gz ZDRPDIPKHOYSGE-UHFFFAOYSA-N -1 3 357.272 2.949 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3c[nH]nc3c2)c(C)c1[O-] ZINC001149355519 1031494368 /nfs/dbraw/zinc/49/43/68/1031494368.db2.gz FDNRRNSJTUFZDD-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C2CC2)cc1 ZINC000798817287 1031555509 /nfs/dbraw/zinc/55/55/09/1031555509.db2.gz WYXKDUDNLJIYMN-INIZCTEOSA-N -1 3 365.389 2.820 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc([N+](=O)[O-])o1 ZINC001115823751 1031975472 /nfs/dbraw/zinc/97/54/72/1031975472.db2.gz UVQPZBXXDYVSIB-UHFFFAOYSA-N -1 3 360.351 2.542 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1nc2ccc(Br)cc2[nH]1 ZINC001151826201 1032039030 /nfs/dbraw/zinc/03/90/30/1032039030.db2.gz BIGFNCWUGKVWPK-UHFFFAOYSA-N -1 3 374.198 2.765 20 30 FFEDHM C#CC1CCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CC1 ZINC000830333748 1033574129 /nfs/dbraw/zinc/57/41/29/1033574129.db2.gz HUMZVWZMGLKZBP-LBPRGKRZSA-N -1 3 373.478 2.876 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cn(CC(=O)[O-])c4ccccc34)CC2)cc1 ZINC001138193257 1033937989 /nfs/dbraw/zinc/93/79/89/1033937989.db2.gz VSLWYRHDRGTSFK-UHFFFAOYSA-N -1 3 374.444 2.920 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2[n-]c(=S)ncc2C2CC2)[C@H](C#N)C1 ZINC001226117425 1034532690 /nfs/dbraw/zinc/53/26/90/1034532690.db2.gz MUFVKLJVTCLFDR-YPMHNXCESA-N -1 3 362.455 2.781 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](Oc2nccc(/C=N/[O-])n2)CC1 ZINC001226253827 1034595429 /nfs/dbraw/zinc/59/54/29/1034595429.db2.gz MJYNFBWRQKZGPJ-FWUUIEFMSA-N -1 3 350.419 2.842 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597614 1034752449 /nfs/dbraw/zinc/75/24/49/1034752449.db2.gz VMALLLFMKUWOEZ-GXTWGEPZSA-N -1 3 372.377 2.636 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)C1 ZINC001227585787 1035621740 /nfs/dbraw/zinc/62/17/40/1035621740.db2.gz FIZUORYWKVSGBG-GXSJLCMTSA-N -1 3 373.331 2.944 20 30 FFEDHM C=CCOC[C@H]1CN(Cc2cccc([O-])c2F)Cc2nnn(CC3CC3)c21 ZINC001233051202 1036294371 /nfs/dbraw/zinc/29/43/71/1036294371.db2.gz NXIPBMTZFKZPDK-MRXNPFEDSA-N -1 3 372.444 2.835 20 30 FFEDHM N#Cc1ccc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)c([O-])c1 ZINC001233385184 1036584521 /nfs/dbraw/zinc/58/45/21/1036584521.db2.gz XRDGDPUIKCPDBJ-KRWDZBQOSA-N -1 3 352.438 2.519 20 30 FFEDHM N#Cc1ccc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c([O-])c1 ZINC001233385135 1036587017 /nfs/dbraw/zinc/58/70/17/1036587017.db2.gz VUDUIXCQVGWDCW-YVWKXTFCSA-N -1 3 365.433 2.717 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2[O-])CCC1(F)F ZINC001233387235 1036589274 /nfs/dbraw/zinc/58/92/74/1036589274.db2.gz ATTYEPWVDJDXLH-OAHLLOKOSA-N -1 3 367.396 2.998 20 30 FFEDHM CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](Oc3cc([O-])cc(C#N)c3)CC[C@@H]21 ZINC001234141651 1036936678 /nfs/dbraw/zinc/93/66/78/1036936678.db2.gz PYLADBOJQVXXJC-ULQDDVLXSA-N -1 3 360.410 2.810 20 30 FFEDHM C[N+](C)(C)C[C@@H](CC#N)Oc1cc([O-])cc2oc3c([O-])cccc3c(=O)c12 ZINC001234742284 1037161978 /nfs/dbraw/zinc/16/19/78/1037161978.db2.gz OLPMMGFWLPXOLK-CYBMUJFWSA-O -1 3 369.397 2.725 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2[n-]c(=O)nc3cccc(Cl)c32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001230886277 1037393866 /nfs/dbraw/zinc/39/38/66/1037393866.db2.gz PQFPZGXTVDFIRK-NHULGOKLSA-N -1 3 364.785 2.799 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2Br)cc1 ZINC001258039704 1039138148 /nfs/dbraw/zinc/13/81/48/1039138148.db2.gz ZIGDKULWHXGRMD-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM COc1ccc(Br)c(Nc2ccc([O-])c(C#N)c2)c1C(N)=O ZINC001210533135 1039596710 /nfs/dbraw/zinc/59/67/10/1039596710.db2.gz MWRDMKPBJURARJ-UHFFFAOYSA-N -1 3 362.183 2.877 20 30 FFEDHM COc1cccc2c1OC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259117152 1039726363 /nfs/dbraw/zinc/72/63/63/1039726363.db2.gz QZCPTZQWZPJXSM-ZDUSSCGKSA-N -1 3 364.810 2.632 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-][C@H](c2ccc(O)cc2)C(F)(F)F)c1 ZINC001259127295 1039734167 /nfs/dbraw/zinc/73/41/67/1039734167.db2.gz KWVSSRIURURQOV-CQSZACIVSA-N -1 3 356.325 2.846 20 30 FFEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2ccccc2F)c(Br)c1 ZINC001260621429 1040672636 /nfs/dbraw/zinc/67/26/36/1040672636.db2.gz FZNLODITNBPCRY-UHFFFAOYSA-N -1 3 370.203 2.797 20 30 FFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC001260858546 1040856037 /nfs/dbraw/zinc/85/60/37/1040856037.db2.gz NVEYEJUYVKXWNK-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001216095175 1041950521 /nfs/dbraw/zinc/95/05/21/1041950521.db2.gz JUPPGGGROFEDPZ-GFCCVEGCSA-N -1 3 363.381 2.725 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001216095175 1041950523 /nfs/dbraw/zinc/95/05/23/1041950523.db2.gz JUPPGGGROFEDPZ-GFCCVEGCSA-N -1 3 363.381 2.725 20 30 FFEDHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N[C@H]1CCCN([O-])C1=O ZINC001216287118 1041994330 /nfs/dbraw/zinc/99/43/30/1041994330.db2.gz SBAOFYURFFFXTL-INIZCTEOSA-N -1 3 365.393 2.527 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001262990752 1042015189 /nfs/dbraw/zinc/01/51/89/1042015189.db2.gz NCPUUKOYFHEZNY-NSHDSACASA-N -1 3 371.832 2.690 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001262990752 1042015194 /nfs/dbraw/zinc/01/51/94/1042015194.db2.gz NCPUUKOYFHEZNY-NSHDSACASA-N -1 3 371.832 2.690 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2OC)cc1 ZINC001263295355 1042226155 /nfs/dbraw/zinc/22/61/55/1042226155.db2.gz WNURSLNLOXHEQB-WFASDCNBSA-N -1 3 354.410 2.903 20 30 FFEDHM C=CCOC[C@@H]1CN(Cc2cc([O-])cc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001237278166 1043086570 /nfs/dbraw/zinc/08/65/70/1043086570.db2.gz JMGXFIFKFODKER-INIZCTEOSA-N -1 3 372.444 2.835 20 30 FFEDHM N#Cc1ccc(N2CCCN(Cc3ccc(F)cc3C(=O)[O-])CC2)nc1 ZINC001238235134 1043618883 /nfs/dbraw/zinc/61/88/83/1043618883.db2.gz HYDIIRULSKKMNZ-UHFFFAOYSA-N -1 3 354.385 2.503 20 30 FFEDHM C=C1CCC(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC001313258705 1044290421 /nfs/dbraw/zinc/29/04/21/1044290421.db2.gz VBKVPBBSQMBYFS-UHFFFAOYSA-N -1 3 357.454 2.606 20 30 FFEDHM CCOc1cc(C=NNC(=S)NCc2cccnc2)cc(Cl)c1[O-] ZINC001317699929 1045122019 /nfs/dbraw/zinc/12/20/19/1045122019.db2.gz YDMFLIHQVMRJKK-UHFFFAOYSA-N -1 3 364.858 2.838 20 30 FFEDHM C=C(C)C[C@@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC001331912933 1048168260 /nfs/dbraw/zinc/16/82/60/1048168260.db2.gz NZKKLCLNTVGAML-GFCCVEGCSA-N -1 3 363.170 2.939 20 30 FFEDHM CC[C@@H](OC1CCCC1)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306893563 1048276038 /nfs/dbraw/zinc/27/60/38/1048276038.db2.gz YAAGBEQDQSSYAF-QGZVFWFLSA-N -1 3 374.437 2.628 20 30 FFEDHM COc1nc(Cl)c(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)n1C ZINC001333246315 1048781600 /nfs/dbraw/zinc/78/16/00/1048781600.db2.gz UQPOSNVFAXTUPZ-AATRIKPKSA-N -1 3 352.774 2.701 20 30 FFEDHM O=C(CC1c2ccccc2Oc2ccccc21)N[C@@H]1CCCN([O-])C1=O ZINC001329916421 1048967187 /nfs/dbraw/zinc/96/71/87/1048967187.db2.gz RVXKIFXTWBEEGG-MRXNPFEDSA-N -1 3 352.390 2.811 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(CCF)CC1 ZINC001341836999 1050448575 /nfs/dbraw/zinc/44/85/75/1050448575.db2.gz BNKMWBDYURDHAI-UHFFFAOYSA-N -1 3 360.437 2.901 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)[n-]n1 ZINC001299814447 1050612852 /nfs/dbraw/zinc/61/28/52/1050612852.db2.gz VFDIHKBZOVTODJ-UHFFFAOYSA-N -1 3 352.394 2.907 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n[n-]1 ZINC001299814447 1050612865 /nfs/dbraw/zinc/61/28/65/1050612865.db2.gz VFDIHKBZOVTODJ-UHFFFAOYSA-N -1 3 352.394 2.907 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@@H](CF)C1 ZINC001340224775 1050632674 /nfs/dbraw/zinc/63/26/74/1050632674.db2.gz WVVFFNYQAFGWTE-LBPRGKRZSA-N -1 3 358.421 2.690 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cn(C)nc1OC ZINC001342037852 1050635147 /nfs/dbraw/zinc/63/51/47/1050635147.db2.gz VVROQOZPFNJVHN-CQSZACIVSA-N -1 3 354.410 2.515 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001342088745 1050684363 /nfs/dbraw/zinc/68/43/63/1050684363.db2.gz RCVPLYJDGARIBE-LSDHHAIUSA-N -1 3 373.457 2.858 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001340573957 1050959736 /nfs/dbraw/zinc/95/97/36/1050959736.db2.gz ZYQHHZBALWKHEJ-OAHLLOKOSA-N -1 3 368.363 2.714 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001340733786 1051092471 /nfs/dbraw/zinc/09/24/71/1051092471.db2.gz TVDVQERZOYOKJA-OAHLLOKOSA-N -1 3 365.894 2.626 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001340733786 1051092476 /nfs/dbraw/zinc/09/24/76/1051092476.db2.gz TVDVQERZOYOKJA-OAHLLOKOSA-N -1 3 365.894 2.626 20 30 FFEDHM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306899790 1052216598 /nfs/dbraw/zinc/21/65/98/1052216598.db2.gz BOCNFXQOTWLJDK-SFHVURJKSA-N -1 3 356.397 2.777 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(CCC#N)cc1)c1nc(C(C)(C)C)no1 ZINC001309254649 1052585313 /nfs/dbraw/zinc/58/53/13/1052585313.db2.gz KTBKLCIWZROHDH-GFCCVEGCSA-N -1 3 362.455 2.863 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)C1 ZINC001346032368 1052714926 /nfs/dbraw/zinc/71/49/26/1052714926.db2.gz QPOZLZAEDLLZCS-LBPRGKRZSA-N -1 3 355.423 2.598 20 30 FFEDHM C#CCN(C)c1nnc(CCc2cccc(Cl)c2[O-])n1C[C@@H]1CCCO1 ZINC001344559170 1052834643 /nfs/dbraw/zinc/83/46/43/1052834643.db2.gz SFPNZEFJAMOXSY-HNNXBMFYSA-N -1 3 374.872 2.671 20 30 FFEDHM CC[C@H](C#N)N(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001338327774 1055421597 /nfs/dbraw/zinc/42/15/97/1055421597.db2.gz GHFHMYOOSKJAKK-CYBMUJFWSA-N -1 3 369.462 2.667 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@]4(CCOC4)C3)n2C)c1[O-] ZINC001338675551 1055721251 /nfs/dbraw/zinc/72/12/51/1055721251.db2.gz LZMUJYVHKSVTMP-HXUWFJFHSA-N -1 3 354.454 2.923 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001339014542 1056015825 /nfs/dbraw/zinc/01/58/25/1056015825.db2.gz IWYHPJZRBBKOLS-ZDUSSCGKSA-N -1 3 367.409 2.827 20 30 FFEDHM C[C@@H](CC#N)N(C)c1nnc(-c2nnc(Cl)[n-]2)n1CCc1ccccc1 ZINC001357969007 1056083378 /nfs/dbraw/zinc/08/33/78/1056083378.db2.gz CLOVDUKTZYDICV-LBPRGKRZSA-N -1 3 370.848 2.698 20 30 FFEDHM C[C@@H](CC#N)N(C)c1nnc(-c2n[n-]c(Cl)n2)n1CCc1ccccc1 ZINC001357969007 1056083387 /nfs/dbraw/zinc/08/33/87/1056083387.db2.gz CLOVDUKTZYDICV-LBPRGKRZSA-N -1 3 370.848 2.698 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001200392687 1056576350 /nfs/dbraw/zinc/57/63/50/1056576350.db2.gz DQBXJOBQORDLGT-STQMWFEESA-N -1 3 359.455 2.714 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1ccc(OCC)cc1 ZINC001339606087 1056629230 /nfs/dbraw/zinc/62/92/30/1056629230.db2.gz GCTGKSCTPHVRDB-UHFFFAOYSA-N -1 3 366.425 2.662 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000849661987 1056963273 /nfs/dbraw/zinc/96/32/73/1056963273.db2.gz BYWBMLZIOHNRQP-UHFFFAOYSA-N -1 3 373.340 2.999 20 30 FFEDHM Cc1nc(C)c(CC(=O)OCc2ccc(C#N)cc2C(F)(F)F)c(=O)[n-]1 ZINC000849688686 1056971526 /nfs/dbraw/zinc/97/15/26/1056971526.db2.gz IKIXRQYOWAYQDB-UHFFFAOYSA-N -1 3 365.311 2.975 20 30 FFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@]2(C#N)CCSC2)s1 ZINC001442990123 1058173365 /nfs/dbraw/zinc/17/33/65/1058173365.db2.gz YYLWJGGURODJJM-CQSZACIVSA-N -1 3 354.457 2.619 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(-c2cccc3ccccc32)n1 ZINC001450157453 1058986719 /nfs/dbraw/zinc/98/67/19/1058986719.db2.gz NMHHWFUIHYTHOS-AWEZNQCLSA-N -1 3 353.403 2.683 20 30 FFEDHM C=C[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001520152888 1059431886 /nfs/dbraw/zinc/43/18/86/1059431886.db2.gz MEJZSYQZEGPSPU-HNNXBMFYSA-N -1 3 354.372 2.873 20 30 FFEDHM COCCn1cc(C(=O)N([O-])Cc2cccc3ccccc32)c(=O)cc1C ZINC001458019358 1060490020 /nfs/dbraw/zinc/49/00/20/1060490020.db2.gz VTUPFJHCECKSKD-UHFFFAOYSA-N -1 3 366.417 2.988 20 30 FFEDHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C(C)C ZINC001475200439 1060995012 /nfs/dbraw/zinc/99/50/12/1060995012.db2.gz HIAUBUSPUGTGKT-INIZCTEOSA-N -1 3 358.454 2.942 20 30 FFEDHM COc1cc(OC)nc(C(=O)[N-]c2cccc(OC(F)(F)F)c2C#N)n1 ZINC001460822151 1061114664 /nfs/dbraw/zinc/11/46/64/1061114664.db2.gz ZXLPICHPWXPLHL-UHFFFAOYSA-N -1 3 368.271 2.516 20 30 FFEDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(SC)c(C#N)c2)s1 ZINC001475669455 1061192778 /nfs/dbraw/zinc/19/27/78/1061192778.db2.gz WFDFAFSUJDSLDU-UHFFFAOYSA-N -1 3 353.494 2.778 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)OC ZINC001464254025 1062507608 /nfs/dbraw/zinc/50/76/08/1062507608.db2.gz FDZXQENCVQSGQA-NSHDSACASA-N -1 3 369.336 2.631 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCc2ccc(O)cc2C1 ZINC001523811730 1062629402 /nfs/dbraw/zinc/62/94/02/1062629402.db2.gz HFBRCJQVHSMZAN-UHFFFAOYSA-N -1 3 371.832 2.561 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCc2ccc(O)cc2C1 ZINC001523811730 1062629407 /nfs/dbraw/zinc/62/94/07/1062629407.db2.gz HFBRCJQVHSMZAN-UHFFFAOYSA-N -1 3 371.832 2.561 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(C#N)c2)sc1Br ZINC001464835102 1062856238 /nfs/dbraw/zinc/85/62/38/1062856238.db2.gz HEBPUHWRXBPVDQ-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM COc1ccc(C#N)cc1NC(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC001442491074 1063539383 /nfs/dbraw/zinc/53/93/83/1063539383.db2.gz PFCRJIBUEBTNNE-UHFFFAOYSA-N -1 3 355.300 2.939 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCc2ccccc2NC1=O ZINC001469664860 1064188274 /nfs/dbraw/zinc/18/82/74/1064188274.db2.gz KTZWGUWVKYOFQT-MRXNPFEDSA-N -1 3 355.344 2.720 20 30 FFEDHM CC(C)(C)C(=O)Cn1cc(C(=O)N([O-])CCCCc2ccccc2)nn1 ZINC001472619333 1065113024 /nfs/dbraw/zinc/11/30/24/1065113024.db2.gz IDIMBUYRJKPPDM-UHFFFAOYSA-N -1 3 358.442 2.748 20 30 FFEDHM COC(=O)c1ccc(CC(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001472622036 1065114502 /nfs/dbraw/zinc/11/45/02/1065114502.db2.gz DIHJJKCZYLEWTM-UHFFFAOYSA-N -1 3 350.374 2.982 20 30 FFEDHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNc2cc(F)ccc2C#N)n1 ZINC001472836398 1065154427 /nfs/dbraw/zinc/15/44/27/1065154427.db2.gz KFJFBIIGQZBEGY-UHFFFAOYSA-N -1 3 373.388 2.830 20 30 FFEDHM CCC(=O)c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001576484183 1078234421 /nfs/dbraw/zinc/23/44/21/1078234421.db2.gz FAKJBHSYBVROAQ-MRXNPFEDSA-N -1 3 374.404 2.780 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(C#N)c(Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001580310782 1078785367 /nfs/dbraw/zinc/78/53/67/1078785367.db2.gz NEZBFPAWEMAWSV-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(C#N)c(Cl)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001580310782 1078785375 /nfs/dbraw/zinc/78/53/75/1078785375.db2.gz NEZBFPAWEMAWSV-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)NCCc1ccc(C#N)cc1 ZINC001580931630 1078894487 /nfs/dbraw/zinc/89/44/87/1078894487.db2.gz ILLKEEJNXCQANO-UHFFFAOYSA-N -1 3 365.372 2.550 20 30 FFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)NCCc1ccc(C#N)cc1 ZINC001580931630 1078894492 /nfs/dbraw/zinc/89/44/92/1078894492.db2.gz ILLKEEJNXCQANO-UHFFFAOYSA-N -1 3 365.372 2.550 20 30 FFEDHM N#Cc1cccc(C(=O)N[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC001581875053 1079013368 /nfs/dbraw/zinc/01/33/68/1079013368.db2.gz TZWPGDYPMTXAEW-CQSZACIVSA-N -1 3 372.310 2.772 20 30 FFEDHM N#Cc1cccc(C(=O)N[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC001581875053 1079013377 /nfs/dbraw/zinc/01/33/77/1079013377.db2.gz TZWPGDYPMTXAEW-CQSZACIVSA-N -1 3 372.310 2.772 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(C#N)c2)c(Cl)c1 ZINC001584621079 1079371414 /nfs/dbraw/zinc/37/14/14/1079371414.db2.gz LBJJGKPUDWCOMN-UHFFFAOYSA-N -1 3 367.789 2.975 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cnc(-c3ccco3)s2)ncc2c1COCC2 ZINC001585440885 1079463318 /nfs/dbraw/zinc/46/33/18/1079463318.db2.gz LGTHBWPHPZPNIW-UHFFFAOYSA-N -1 3 352.375 2.995 20 30 FFEDHM COc1ccc(C(=O)N2CCC[C@H]2C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001559036944 1076118613 /nfs/dbraw/zinc/11/86/13/1076118613.db2.gz CEQRVLYZIPFRBN-SFHVURJKSA-N -1 3 372.396 2.857 20 30 FFEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3ccc(Br)o3)n[nH]2)c1 ZINC001559044885 1076119963 /nfs/dbraw/zinc/11/99/63/1076119963.db2.gz CTQXOOOMVOVDST-UHFFFAOYSA-N -1 3 358.155 2.951 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)cc1F ZINC001574281543 1077947619 /nfs/dbraw/zinc/94/76/19/1077947619.db2.gz NINRWYDYUSMIKO-UHFFFAOYSA-N -1 3 364.384 2.928 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)cc1F ZINC001574281543 1077947624 /nfs/dbraw/zinc/94/76/24/1077947624.db2.gz NINRWYDYUSMIKO-UHFFFAOYSA-N -1 3 364.384 2.928 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCN1CCCC1)c1ccccc1 ZINC001586583505 1079652005 /nfs/dbraw/zinc/65/20/05/1079652005.db2.gz OHEQLHPDEVHPKY-UHFFFAOYSA-N -1 3 350.422 2.710 20 30 FFEDHM C#C[C@H](NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001588329368 1079985656 /nfs/dbraw/zinc/98/56/56/1079985656.db2.gz FAUYDUYZXUFKLK-OALUTQOASA-N -1 3 372.432 2.918 20 30 FFEDHM C#C[C@H](NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001588329368 1079985660 /nfs/dbraw/zinc/98/56/60/1079985660.db2.gz FAUYDUYZXUFKLK-OALUTQOASA-N -1 3 372.432 2.918 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccc(F)cc1 ZINC001588329313 1079985849 /nfs/dbraw/zinc/98/58/49/1079985849.db2.gz DARRNRZWCBLOKC-HNNXBMFYSA-N -1 3 350.357 2.810 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccc(F)cc1 ZINC001588329313 1079985854 /nfs/dbraw/zinc/98/58/54/1079985854.db2.gz DARRNRZWCBLOKC-HNNXBMFYSA-N -1 3 350.357 2.810 20 30 FFEDHM C#C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2F)C1 ZINC001588332614 1079986859 /nfs/dbraw/zinc/98/68/59/1079986859.db2.gz NVVOPCMMCAUQGJ-SECBINFHSA-N -1 3 350.195 2.618 20 30 FFEDHM C#C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2F)C1 ZINC001588332614 1079986861 /nfs/dbraw/zinc/98/68/61/1079986861.db2.gz NVVOPCMMCAUQGJ-SECBINFHSA-N -1 3 350.195 2.618 20 30 FFEDHM C#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC001588330356 1079987105 /nfs/dbraw/zinc/98/71/05/1079987105.db2.gz ZSKWZEQXUQPCCJ-OAHLLOKOSA-N -1 3 355.760 2.764 20 30 FFEDHM C#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC001588330356 1079987107 /nfs/dbraw/zinc/98/71/07/1079987107.db2.gz ZSKWZEQXUQPCCJ-OAHLLOKOSA-N -1 3 355.760 2.764 20 30 FFEDHM C#CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C(C)=O)CCCCC1 ZINC001588334769 1079988554 /nfs/dbraw/zinc/98/85/54/1079988554.db2.gz KMXLKSYWXXARCR-UHFFFAOYSA-N -1 3 351.410 2.982 20 30 FFEDHM C#CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C(C)=O)CCCCC1 ZINC001588334769 1079988559 /nfs/dbraw/zinc/98/85/59/1079988559.db2.gz KMXLKSYWXXARCR-UHFFFAOYSA-N -1 3 351.410 2.982 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588393348 1080004530 /nfs/dbraw/zinc/00/45/30/1080004530.db2.gz OGEAUEVBHUWTGB-UHFFFAOYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588393348 1080004537 /nfs/dbraw/zinc/00/45/37/1080004537.db2.gz OGEAUEVBHUWTGB-UHFFFAOYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588400868 1080009558 /nfs/dbraw/zinc/00/95/58/1080009558.db2.gz HSBKKJAQWRKYBU-CQSZACIVSA-N -1 3 355.442 2.839 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588400868 1080009564 /nfs/dbraw/zinc/00/95/64/1080009564.db2.gz HSBKKJAQWRKYBU-CQSZACIVSA-N -1 3 355.442 2.839 20 30 FFEDHM C=C(C)C(C)(C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588402627 1080010839 /nfs/dbraw/zinc/01/08/39/1080010839.db2.gz JGONCSADWMCAPF-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)C(C)(C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588402627 1080010846 /nfs/dbraw/zinc/01/08/46/1080010846.db2.gz JGONCSADWMCAPF-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001588404736 1080012373 /nfs/dbraw/zinc/01/23/73/1080012373.db2.gz JWCGKJJNDIIXFF-ZDUSSCGKSA-N -1 3 367.409 2.939 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC001588404736 1080012381 /nfs/dbraw/zinc/01/23/81/1080012381.db2.gz JWCGKJJNDIIXFF-ZDUSSCGKSA-N -1 3 367.409 2.939 20 30 FFEDHM C=C(C)C[C@@H](Nc1ncc(-c2nnn[n-]2)c2ccsc21)C(=O)OCC ZINC001588409880 1080014312 /nfs/dbraw/zinc/01/43/12/1080014312.db2.gz IQKWTLBYWAAGDI-GFCCVEGCSA-N -1 3 358.427 2.786 20 30 FFEDHM C=C(C)C[C@@H](Nc1ncc(-c2nn[n-]n2)c2ccsc21)C(=O)OCC ZINC001588409880 1080014319 /nfs/dbraw/zinc/01/43/19/1080014319.db2.gz IQKWTLBYWAAGDI-GFCCVEGCSA-N -1 3 358.427 2.786 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588411589 1080016150 /nfs/dbraw/zinc/01/61/50/1080016150.db2.gz DYUVOOQPSGMCIP-GOEBONIOSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588411589 1080016155 /nfs/dbraw/zinc/01/61/55/1080016155.db2.gz DYUVOOQPSGMCIP-GOEBONIOSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCC(=O)NC1CC(CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588416875 1080021158 /nfs/dbraw/zinc/02/11/58/1080021158.db2.gz ZNCGEAUTSRMDQR-UHFFFAOYSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C(C)CCC(=O)NC1CC(CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588416875 1080021169 /nfs/dbraw/zinc/02/11/69/1080021169.db2.gz ZNCGEAUTSRMDQR-UHFFFAOYSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC001588426095 1080024399 /nfs/dbraw/zinc/02/43/99/1080024399.db2.gz LIYICNSRNQSJKL-UHFFFAOYSA-N -1 3 352.446 2.617 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC001588426095 1080024408 /nfs/dbraw/zinc/02/44/08/1080024408.db2.gz LIYICNSRNQSJKL-UHFFFAOYSA-N -1 3 352.446 2.617 20 30 FFEDHM C=C1CCC(C(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCOCC2)CC1 ZINC001588461368 1080036317 /nfs/dbraw/zinc/03/63/17/1080036317.db2.gz NTYJDIAZOPVQJH-UHFFFAOYSA-N -1 3 367.453 2.735 20 30 FFEDHM C=C1CCC(C(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCOCC2)CC1 ZINC001588461368 1080036323 /nfs/dbraw/zinc/03/63/23/1080036323.db2.gz NTYJDIAZOPVQJH-UHFFFAOYSA-N -1 3 367.453 2.735 20 30 FFEDHM C=CCOc1ccc(CN([C@H]2CCN(CC(=O)[O-])C2=O)C(C)(C)C)cc1 ZINC001588466445 1080038988 /nfs/dbraw/zinc/03/89/88/1080038988.db2.gz QHNRGRQTPYRAHZ-KRWDZBQOSA-N -1 3 360.454 2.537 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588474333 1080040848 /nfs/dbraw/zinc/04/08/48/1080040848.db2.gz BDLMTRFYPDTBBP-LBPRGKRZSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588474333 1080040858 /nfs/dbraw/zinc/04/08/58/1080040858.db2.gz BDLMTRFYPDTBBP-LBPRGKRZSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588476142 1080045100 /nfs/dbraw/zinc/04/51/00/1080045100.db2.gz RMMNYOUDLFREDT-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588476142 1080045111 /nfs/dbraw/zinc/04/51/11/1080045111.db2.gz RMMNYOUDLFREDT-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588484971 1080050855 /nfs/dbraw/zinc/05/08/55/1080050855.db2.gz TXAAJAZPKOZIHF-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588484971 1080050861 /nfs/dbraw/zinc/05/08/61/1080050861.db2.gz TXAAJAZPKOZIHF-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588492887 1080056201 /nfs/dbraw/zinc/05/62/01/1080056201.db2.gz XJYGZVBFDBFRHU-GOSISDBHSA-N -1 3 360.437 2.503 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588492887 1080056210 /nfs/dbraw/zinc/05/62/10/1080056210.db2.gz XJYGZVBFDBFRHU-GOSISDBHSA-N -1 3 360.437 2.503 20 30 FFEDHM C=C[C@@](C)(CCOC)COC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588500237 1080061325 /nfs/dbraw/zinc/06/13/25/1080061325.db2.gz TVWATQRIRZVZAE-INIZCTEOSA-N -1 3 350.806 2.906 20 30 FFEDHM C=C[C@@](C)(CCOC)COC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588500237 1080061335 /nfs/dbraw/zinc/06/13/35/1080061335.db2.gz TVWATQRIRZVZAE-INIZCTEOSA-N -1 3 350.806 2.906 20 30 FFEDHM C=C[C@](C)(O)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588507599 1080063258 /nfs/dbraw/zinc/06/32/58/1080063258.db2.gz JHAYPLVQNUMGLC-IBGZPJMESA-N -1 3 365.393 2.925 20 30 FFEDHM C=C[C@](C)(O)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588507599 1080063264 /nfs/dbraw/zinc/06/32/64/1080063264.db2.gz JHAYPLVQNUMGLC-IBGZPJMESA-N -1 3 365.393 2.925 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588521217 1080073507 /nfs/dbraw/zinc/07/35/07/1080073507.db2.gz JUTUVAUXXPBLNM-BFUOFWGJSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588521217 1080073517 /nfs/dbraw/zinc/07/35/17/1080073517.db2.gz JUTUVAUXXPBLNM-BFUOFWGJSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588522023 1080075483 /nfs/dbraw/zinc/07/54/83/1080075483.db2.gz YPQQVFKGFCTSON-AWEZNQCLSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CC1(CC(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001588527693 1080077623 /nfs/dbraw/zinc/07/76/23/1080077623.db2.gz UPAYAMQGIOPLRY-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC1(CC(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001588527693 1080077630 /nfs/dbraw/zinc/07/76/30/1080077630.db2.gz UPAYAMQGIOPLRY-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC1(CC(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001588527692 1080077669 /nfs/dbraw/zinc/07/76/69/1080077669.db2.gz UPAYAMQGIOPLRY-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC1(CC(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001588527692 1080077676 /nfs/dbraw/zinc/07/76/76/1080077676.db2.gz UPAYAMQGIOPLRY-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588531368 1080079532 /nfs/dbraw/zinc/07/95/32/1080079532.db2.gz AAQDLTQJCSTZHH-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588531368 1080079541 /nfs/dbraw/zinc/07/95/41/1080079541.db2.gz AAQDLTQJCSTZHH-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588538438 1080086171 /nfs/dbraw/zinc/08/61/71/1080086171.db2.gz QPLAHTNKKVRKJI-UONOGXRCSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588538438 1080086178 /nfs/dbraw/zinc/08/61/78/1080086178.db2.gz QPLAHTNKKVRKJI-UONOGXRCSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC1(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588553282 1080093049 /nfs/dbraw/zinc/09/30/49/1080093049.db2.gz LOLLSANARTXUJU-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588553282 1080093054 /nfs/dbraw/zinc/09/30/54/1080093054.db2.gz LOLLSANARTXUJU-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001588556115 1080094736 /nfs/dbraw/zinc/09/47/36/1080094736.db2.gz DYVZHZKZMSLAIX-ZDUSSCGKSA-N -1 3 369.425 2.873 20 30 FFEDHM C=CCC1(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001588556115 1080094741 /nfs/dbraw/zinc/09/47/41/1080094741.db2.gz DYVZHZKZMSLAIX-ZDUSSCGKSA-N -1 3 369.425 2.873 20 30 FFEDHM C=CCCC(=O)N(C)C1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001588564677 1080099548 /nfs/dbraw/zinc/09/95/48/1080099548.db2.gz QMARBBAKSKHGOR-UHFFFAOYSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC(=O)N(C)C1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001588564677 1080099558 /nfs/dbraw/zinc/09/95/58/1080099558.db2.gz QMARBBAKSKHGOR-UHFFFAOYSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC(=O)N[C@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC[C@@H]1C ZINC001588571943 1080103821 /nfs/dbraw/zinc/10/38/21/1080103821.db2.gz TZUPUTBMSWHTLL-LIRRHRJNSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)N[C@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC[C@@H]1C ZINC001588571943 1080103828 /nfs/dbraw/zinc/10/38/28/1080103828.db2.gz TZUPUTBMSWHTLL-LIRRHRJNSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)N[C@H](C)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588576252 1080104924 /nfs/dbraw/zinc/10/49/24/1080104924.db2.gz JIFIKTYRXNCIND-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC(=O)N[C@H](C)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588576252 1080104926 /nfs/dbraw/zinc/10/49/26/1080104926.db2.gz JIFIKTYRXNCIND-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588582841 1080108919 /nfs/dbraw/zinc/10/89/19/1080108919.db2.gz PRMAKEMFJCWUBD-ZBFHGGJFSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588582841 1080108923 /nfs/dbraw/zinc/10/89/23/1080108923.db2.gz PRMAKEMFJCWUBD-ZBFHGGJFSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CCCCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588588679 1080112346 /nfs/dbraw/zinc/11/23/46/1080112346.db2.gz WNOOZXGHOPFAHK-HNNXBMFYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=CCCCC(=O)N1CCCCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588588679 1080112352 /nfs/dbraw/zinc/11/23/52/1080112352.db2.gz WNOOZXGHOPFAHK-HNNXBMFYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001588590414 1080113613 /nfs/dbraw/zinc/11/36/13/1080113613.db2.gz LYFSFEVANBGGQA-YUELXQCFSA-N -1 3 370.432 2.588 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001588590414 1080113618 /nfs/dbraw/zinc/11/36/18/1080113618.db2.gz LYFSFEVANBGGQA-YUELXQCFSA-N -1 3 370.432 2.588 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C(=O)OC)c1ccccc1 ZINC001588648415 1080137728 /nfs/dbraw/zinc/13/77/28/1080137728.db2.gz KRZGTCSFHIAAKR-GOSISDBHSA-N -1 3 363.421 2.769 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C(=O)OC)c1ccccc1 ZINC001588648415 1080137733 /nfs/dbraw/zinc/13/77/33/1080137733.db2.gz KRZGTCSFHIAAKR-GOSISDBHSA-N -1 3 363.421 2.769 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C#N)ccc1C ZINC001588648957 1080139613 /nfs/dbraw/zinc/13/96/13/1080139613.db2.gz FHSVTSQTKUYIHW-UHFFFAOYSA-N -1 3 358.405 2.875 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C#N)ccc1C ZINC001588648957 1080139618 /nfs/dbraw/zinc/13/96/18/1080139618.db2.gz FHSVTSQTKUYIHW-UHFFFAOYSA-N -1 3 358.405 2.875 20 30 FFEDHM C=CCOc1cccnc1C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588688247 1080154171 /nfs/dbraw/zinc/15/41/71/1080154171.db2.gz BJFRFNVXMGMGDE-ZDUSSCGKSA-N -1 3 364.409 2.660 20 30 FFEDHM C=CCOc1cccnc1C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588688247 1080154175 /nfs/dbraw/zinc/15/41/75/1080154175.db2.gz BJFRFNVXMGMGDE-ZDUSSCGKSA-N -1 3 364.409 2.660 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H](C)C1 ZINC001588699807 1080160512 /nfs/dbraw/zinc/16/05/12/1080160512.db2.gz NTOHSDHYNCCJKZ-CYBMUJFWSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H](C)C1 ZINC001588699807 1080160517 /nfs/dbraw/zinc/16/05/17/1080160517.db2.gz NTOHSDHYNCCJKZ-CYBMUJFWSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c([C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)nnc1N(C)C1CC1 ZINC001588705057 1080163323 /nfs/dbraw/zinc/16/33/23/1080163323.db2.gz RIQHELUDWCJLOO-CYBMUJFWSA-N -1 3 364.457 2.589 20 30 FFEDHM C=CCn1c([C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)nnc1N(C)C1CC1 ZINC001588705057 1080163327 /nfs/dbraw/zinc/16/33/27/1080163327.db2.gz RIQHELUDWCJLOO-CYBMUJFWSA-N -1 3 364.457 2.589 20 30 FFEDHM CC#CCCCC(=O)OCc1ccc(Br)cc1-c1nnn[n-]1 ZINC001588746400 1080178288 /nfs/dbraw/zinc/17/82/88/1080178288.db2.gz QVPAVNBPWBHJHV-UHFFFAOYSA-N -1 3 363.215 2.866 20 30 FFEDHM CC#CCCCC(=O)OCc1ccc(Br)cc1-c1nn[n-]n1 ZINC001588746400 1080178292 /nfs/dbraw/zinc/17/82/92/1080178292.db2.gz QVPAVNBPWBHJHV-UHFFFAOYSA-N -1 3 363.215 2.866 20 30 FFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nccnc1C ZINC001588777070 1080190960 /nfs/dbraw/zinc/19/09/60/1080190960.db2.gz AQIRFMQZNZQBJV-UHFFFAOYSA-N -1 3 362.319 2.820 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nccnc1C ZINC001588777070 1080190964 /nfs/dbraw/zinc/19/09/64/1080190964.db2.gz AQIRFMQZNZQBJV-UHFFFAOYSA-N -1 3 362.319 2.820 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1nnn(-c2ccc(C)cc2)c1C ZINC001588780920 1080193199 /nfs/dbraw/zinc/19/31/99/1080193199.db2.gz SYNVCXUPTPUXGQ-UHFFFAOYSA-N -1 3 373.424 2.900 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC001588780827 1080193492 /nfs/dbraw/zinc/19/34/92/1080193492.db2.gz PDJGLPYUKVUCPZ-UHFFFAOYSA-N -1 3 363.381 2.659 20 30 FFEDHM CC(C)(C)OC(=O)CCCCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001589151548 1080387768 /nfs/dbraw/zinc/38/77/68/1080387768.db2.gz GDBKZSKMWVIIRQ-UHFFFAOYSA-N -1 3 365.825 2.825 20 30 FFEDHM CC(C)(C)OC(=O)CCCCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001589151548 1080387778 /nfs/dbraw/zinc/38/77/78/1080387778.db2.gz GDBKZSKMWVIIRQ-UHFFFAOYSA-N -1 3 365.825 2.825 20 30 FFEDHM CC(C)(NC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001589317703 1080479685 /nfs/dbraw/zinc/47/96/85/1080479685.db2.gz UZEUFSFEDVNPCQ-UHFFFAOYSA-N -1 3 368.347 2.682 20 30 FFEDHM CC(C)(NC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001589317703 1080479691 /nfs/dbraw/zinc/47/96/91/1080479691.db2.gz UZEUFSFEDVNPCQ-UHFFFAOYSA-N -1 3 368.347 2.682 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC001589335073 1080487094 /nfs/dbraw/zinc/48/70/94/1080487094.db2.gz MXBPYIUAKUYVMI-DJJJIMSYSA-N -1 3 352.390 2.828 20 30 FFEDHM CC(C)C(=O)N1CCC(=NO[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589395715 1080513893 /nfs/dbraw/zinc/51/38/93/1080513893.db2.gz VKVVOAZMMGBAAF-ZDUSSCGKSA-N -1 3 356.430 2.579 20 30 FFEDHM CC(C)C(=O)N1CCC(=NO[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589395715 1080513899 /nfs/dbraw/zinc/51/38/99/1080513899.db2.gz VKVVOAZMMGBAAF-ZDUSSCGKSA-N -1 3 356.430 2.579 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#Cc1cccs1 ZINC001589695846 1080675230 /nfs/dbraw/zinc/67/52/30/1080675230.db2.gz XAINEWDSSNTKNI-UHFFFAOYSA-N -1 3 351.435 2.717 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#Cc1cccs1 ZINC001589695846 1080675236 /nfs/dbraw/zinc/67/52/36/1080675236.db2.gz XAINEWDSSNTKNI-UHFFFAOYSA-N -1 3 351.435 2.717 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(CC#N)c1 ZINC001589702265 1080679084 /nfs/dbraw/zinc/67/90/84/1080679084.db2.gz ZZYKIJUTAKNSCS-UHFFFAOYSA-N -1 3 360.421 2.984 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(CC#N)c1 ZINC001589702265 1080679086 /nfs/dbraw/zinc/67/90/86/1080679086.db2.gz ZZYKIJUTAKNSCS-UHFFFAOYSA-N -1 3 360.421 2.984 20 30 FFEDHM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589813973 1080769298 /nfs/dbraw/zinc/76/92/98/1080769298.db2.gz ZPDALGFESCNNHV-LBPRGKRZSA-N -1 3 371.445 2.844 20 30 FFEDHM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589813973 1080769305 /nfs/dbraw/zinc/76/93/05/1080769305.db2.gz ZPDALGFESCNNHV-LBPRGKRZSA-N -1 3 371.445 2.844 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC001589894090 1080839184 /nfs/dbraw/zinc/83/91/84/1080839184.db2.gz MFVCQBNZJBYTIM-ZIAGYGMSSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC001589894090 1080839188 /nfs/dbraw/zinc/83/91/88/1080839188.db2.gz MFVCQBNZJBYTIM-ZIAGYGMSSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC001589894456 1080841491 /nfs/dbraw/zinc/84/14/91/1080841491.db2.gz OOKXISACMOODRG-SUMWQHHRSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC001589894456 1080841497 /nfs/dbraw/zinc/84/14/97/1080841497.db2.gz OOKXISACMOODRG-SUMWQHHRSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589917323 1080857799 /nfs/dbraw/zinc/85/77/99/1080857799.db2.gz JNMVVQKKHYISPX-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589917323 1080857803 /nfs/dbraw/zinc/85/78/03/1080857803.db2.gz JNMVVQKKHYISPX-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589917324 1080858010 /nfs/dbraw/zinc/85/80/10/1080858010.db2.gz JNMVVQKKHYISPX-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589917324 1080858020 /nfs/dbraw/zinc/85/80/20/1080858020.db2.gz JNMVVQKKHYISPX-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589918065 1080859812 /nfs/dbraw/zinc/85/98/12/1080859812.db2.gz NULWVFFJWRPGOI-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589918065 1080859816 /nfs/dbraw/zinc/85/98/16/1080859816.db2.gz NULWVFFJWRPGOI-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC001589942994 1080884984 /nfs/dbraw/zinc/88/49/84/1080884984.db2.gz MCQYHNHFNFJXMF-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC001589942994 1080884990 /nfs/dbraw/zinc/88/49/90/1080884990.db2.gz MCQYHNHFNFJXMF-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)c(Cl)n1 ZINC001590043559 1080970663 /nfs/dbraw/zinc/97/06/63/1080970663.db2.gz OVGOABJNMXPREW-SNVBAGLBSA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)c(Cl)n1 ZINC001590043559 1080970666 /nfs/dbraw/zinc/97/06/66/1080970666.db2.gz OVGOABJNMXPREW-SNVBAGLBSA-N -1 3 367.800 2.620 20 30 FFEDHM CC1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)[C@@H]1C#N ZINC001590097085 1081010092 /nfs/dbraw/zinc/01/00/92/1081010092.db2.gz OTPCNBWIRBPRLT-ARFHVFGLSA-N -1 3 350.426 2.511 20 30 FFEDHM CC1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)[C@@H]1C#N ZINC001590097085 1081010100 /nfs/dbraw/zinc/01/01/00/1081010100.db2.gz OTPCNBWIRBPRLT-ARFHVFGLSA-N -1 3 350.426 2.511 20 30 FFEDHM C[C@@H]1CCCC[C@H]1COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590254564 1081125898 /nfs/dbraw/zinc/12/58/98/1081125898.db2.gz WTSQVMJFHYYWQP-COXVUDFISA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@@H]1CCCC[C@H]1COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590254564 1081125900 /nfs/dbraw/zinc/12/59/00/1081125900.db2.gz WTSQVMJFHYYWQP-COXVUDFISA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC001590285959 1081139626 /nfs/dbraw/zinc/13/96/26/1081139626.db2.gz XEVTVJDZKOMMMS-BBRMVZONSA-N -1 3 358.405 2.699 20 30 FFEDHM C[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001590285959 1081139627 /nfs/dbraw/zinc/13/96/27/1081139627.db2.gz XEVTVJDZKOMMMS-BBRMVZONSA-N -1 3 358.405 2.699 20 30 FFEDHM CC(C)OCCS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282950658 256808559 /nfs/dbraw/zinc/80/85/59/256808559.db2.gz HRTPTQQPWJGMJU-UHFFFAOYSA-N -1 3 352.334 2.624 20 30 FFEDHM Cc1ccc(CN2C[C@H](C(=O)Nc3nnc(C(F)(F)F)[n-]3)CC2=O)cc1 ZINC000071869393 221385175 /nfs/dbraw/zinc/38/51/75/221385175.db2.gz ZHZVUMKWDVNYSN-LLVKDONJSA-N -1 3 367.331 2.769 20 30 FFEDHM Cc1ccc(CN2C[C@H](C(=O)Nc3nc(C(F)(F)F)n[n-]3)CC2=O)cc1 ZINC000071869393 221385177 /nfs/dbraw/zinc/38/51/77/221385177.db2.gz ZHZVUMKWDVNYSN-LLVKDONJSA-N -1 3 367.331 2.769 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cccs1 ZINC000289961966 257308840 /nfs/dbraw/zinc/30/88/40/257308840.db2.gz TVIOPUVUXSINCD-OAHLLOKOSA-N -1 3 350.465 2.658 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cccs1 ZINC000289961961 257308962 /nfs/dbraw/zinc/30/89/62/257308962.db2.gz TVIOPUVUXSINCD-HNNXBMFYSA-N -1 3 350.465 2.658 20 30 FFEDHM Cc1cccc2c1OC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000290600599 257345656 /nfs/dbraw/zinc/34/56/56/257345656.db2.gz DKWYIOJTKOPAAP-MRXNPFEDSA-N -1 3 365.433 2.637 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)nc1NCCCNC(=O)c1cccc([O-])c1 ZINC000301246609 258037037 /nfs/dbraw/zinc/03/70/37/258037037.db2.gz AVXBAQHZMSXPKR-UHFFFAOYSA-N -1 3 364.327 2.910 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000330875121 258172622 /nfs/dbraw/zinc/17/26/22/258172622.db2.gz UDBWBGZQLUAECI-ASSNKEHSSA-N -1 3 373.497 2.902 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1(F)F ZINC000594850724 520187051 /nfs/dbraw/zinc/18/70/51/520187051.db2.gz FBKLLBMKAFEGLS-LLVKDONJSA-N -1 3 365.199 2.644 20 30 FFEDHM Cc1cc(Br)c(C[N-]S(=O)(=O)CC2(C#N)CCC2)s1 ZINC000594853945 520190002 /nfs/dbraw/zinc/19/00/02/520190002.db2.gz BBJKTDJJLCLCSW-UHFFFAOYSA-N -1 3 363.302 2.932 20 30 FFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000065880106 506385389 /nfs/dbraw/zinc/38/53/89/506385389.db2.gz YYRHFTQJOCHBTB-ZDUSSCGKSA-N -1 3 366.356 2.647 20 30 FFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000065880106 506385396 /nfs/dbraw/zinc/38/53/96/506385396.db2.gz YYRHFTQJOCHBTB-ZDUSSCGKSA-N -1 3 366.356 2.647 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000065880106 506385399 /nfs/dbraw/zinc/38/53/99/506385399.db2.gz YYRHFTQJOCHBTB-ZDUSSCGKSA-N -1 3 366.356 2.647 20 30 FFEDHM Cc1nc(C)c(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(=O)[n-]1 ZINC000066856229 506670465 /nfs/dbraw/zinc/67/04/65/506670465.db2.gz PXWBMCGSDRULEN-NSHDSACASA-N -1 3 356.451 2.962 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)CNC(=O)c2ccsc2)n[n-]1 ZINC000055248175 506708130 /nfs/dbraw/zinc/70/81/30/506708130.db2.gz ACNSTSCHLUFLRD-UHFFFAOYSA-N -1 3 357.395 2.560 20 30 FFEDHM CCOc1cccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000044641202 506870367 /nfs/dbraw/zinc/87/03/67/506870367.db2.gz FCXMXUYBJQBGNH-UHFFFAOYSA-N -1 3 353.422 2.511 20 30 FFEDHM Cc1ccccc1OCCN(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000016147680 507075618 /nfs/dbraw/zinc/07/56/18/507075618.db2.gz QEKQIKAHDIPLFQ-UHFFFAOYSA-N -1 3 367.449 2.642 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2OC[C@@H]1C ZINC000072532335 507803623 /nfs/dbraw/zinc/80/36/23/507803623.db2.gz SWXVMKUQIMHPDM-LBPRGKRZSA-N -1 3 351.406 2.610 20 30 FFEDHM Cc1c(C(=O)[N-]c2sccc2C#N)nnn1-c1ccc2c(c1)OCCO2 ZINC000109098350 507939025 /nfs/dbraw/zinc/93/90/25/507939025.db2.gz ILRGHRBXSHMQOC-UHFFFAOYSA-N -1 3 367.390 2.532 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000110426152 508027428 /nfs/dbraw/zinc/02/74/28/508027428.db2.gz KVXRVYUMOQATJU-UHFFFAOYSA-N -1 3 365.433 2.677 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000127832570 508507295 /nfs/dbraw/zinc/50/72/95/508507295.db2.gz MANCHIPLIPLUMI-IUODEOHRSA-N -1 3 356.875 2.821 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000128218289 508564838 /nfs/dbraw/zinc/56/48/38/508564838.db2.gz UNHCKPVHHMULBS-ZDUSSCGKSA-N -1 3 368.418 2.789 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000118275382 508643453 /nfs/dbraw/zinc/64/34/53/508643453.db2.gz PATAXLZPYYRJKO-DNVCBOLYSA-N -1 3 373.497 2.754 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)c(F)c1 ZINC000136242505 508681917 /nfs/dbraw/zinc/68/19/17/508681917.db2.gz NRZFYWBNERPRFJ-UHFFFAOYSA-N -1 3 373.815 2.948 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1 ZINC000153960786 508686350 /nfs/dbraw/zinc/68/63/50/508686350.db2.gz HPUYXLXWHOTCEK-UHFFFAOYSA-N -1 3 373.503 2.908 20 30 FFEDHM COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccc1 ZINC000124435052 508831549 /nfs/dbraw/zinc/83/15/49/508831549.db2.gz BQXVOLGCKOKLKA-KDOFPFPSSA-N -1 3 372.446 2.695 20 30 FFEDHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000125696129 509017960 /nfs/dbraw/zinc/01/79/60/509017960.db2.gz UPLPRMGJEHEXNA-OKHZJLECSA-N -1 3 374.915 2.570 20 30 FFEDHM N#Cc1ccccc1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151642313 509057991 /nfs/dbraw/zinc/05/79/91/509057991.db2.gz ADLFGGAYKJYGHC-UHFFFAOYSA-N -1 3 361.195 2.722 20 30 FFEDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(C#N)CCOCC1 ZINC000121003300 509107399 /nfs/dbraw/zinc/10/73/99/509107399.db2.gz VVJDCXAJHXMYMI-UHFFFAOYSA-N -1 3 367.243 2.824 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000156191837 509142387 /nfs/dbraw/zinc/14/23/87/509142387.db2.gz GWALXDPPMWAUCC-ZDUSSCGKSA-N -1 3 359.407 2.939 20 30 FFEDHM Cn1cc(-c2ncc(C(=O)[N-]c3nc4c(cc3C#N)CCCC4)s2)cn1 ZINC000182655961 509354025 /nfs/dbraw/zinc/35/40/25/509354025.db2.gz CHPUYCUEYQKJEM-UHFFFAOYSA-N -1 3 364.434 2.941 20 30 FFEDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000179862314 509652468 /nfs/dbraw/zinc/65/24/68/509652468.db2.gz DGXPLHNBXFGSHH-HOTGVXAUSA-N -1 3 354.447 2.959 20 30 FFEDHM C=CCNc1ncc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)s1 ZINC000183259817 509685675 /nfs/dbraw/zinc/68/56/75/509685675.db2.gz XSBSYXCPMPFGFU-UHFFFAOYSA-N -1 3 358.402 2.841 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1cc(OC)c(Br)c(OC)c1 ZINC000180013704 509710173 /nfs/dbraw/zinc/71/01/73/509710173.db2.gz IFBHQSBEEKILES-UHFFFAOYSA-N -1 3 350.234 2.784 20 30 FFEDHM COc1ccc(OC(F)F)c(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000268099349 509755937 /nfs/dbraw/zinc/75/59/37/509755937.db2.gz NEBMLILWYJXGFT-DNTJNYDQSA-N -1 3 352.337 2.817 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC000180168426 509790619 /nfs/dbraw/zinc/79/06/19/509790619.db2.gz LPIUYJULJZHLGC-CYBMUJFWSA-N -1 3 354.859 2.982 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000253553945 509895723 /nfs/dbraw/zinc/89/57/23/509895723.db2.gz GXZFJSWJAJZDOB-YFVAEKQCSA-N -1 3 361.445 2.910 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000183636365 509897977 /nfs/dbraw/zinc/89/79/77/509897977.db2.gz WOIHDSLMHKMTTQ-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183675542 509922648 /nfs/dbraw/zinc/92/26/48/509922648.db2.gz MKNLXAHFIPSZPF-VIFPVBQESA-N -1 3 353.831 2.726 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c(Cl)c1 ZINC000183700409 509934299 /nfs/dbraw/zinc/93/42/99/509934299.db2.gz DLRQTDWVIPNKJB-HNNXBMFYSA-N -1 3 356.875 2.821 20 30 FFEDHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000171118852 509953515 /nfs/dbraw/zinc/95/35/15/509953515.db2.gz URGWFNTWTLHXHJ-UHFFFAOYSA-N -1 3 370.459 2.864 20 30 FFEDHM COCc1nc(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n[n-]1 ZINC000268488481 509963167 /nfs/dbraw/zinc/96/31/67/509963167.db2.gz NOYZRFQDSAQLFF-CQSZACIVSA-N -1 3 373.482 2.995 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](CC)CSC)ccc1F ZINC000180977987 510219103 /nfs/dbraw/zinc/21/91/03/510219103.db2.gz XNTFHTFQRMWJAC-CYBMUJFWSA-N -1 3 374.503 2.504 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOc2ccccc2)c1 ZINC000177997294 510366226 /nfs/dbraw/zinc/36/62/26/510366226.db2.gz NZBNBLKWVZLCRG-UHFFFAOYSA-N -1 3 350.827 2.959 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCO[C@@H]1CC(C)C ZINC000184814374 510527301 /nfs/dbraw/zinc/52/73/01/510527301.db2.gz SZNJSSTUPLUOCY-QZTJIDSGSA-N -1 3 359.470 2.506 20 30 FFEDHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(C)[C@H](C)CC#N ZINC000276060531 510926520 /nfs/dbraw/zinc/92/65/20/510926520.db2.gz UXLYHADYZWDCHP-SNVBAGLBSA-N -1 3 363.439 2.501 20 30 FFEDHM C=CC[C@H]1N(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1(C)C ZINC000277892629 510976193 /nfs/dbraw/zinc/97/61/93/510976193.db2.gz FTHQXVLKZPELKL-IERDGZPVSA-N -1 3 369.465 2.948 20 30 FFEDHM C=CCC[C@H](C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O)c1ccccc1 ZINC000286329455 511021978 /nfs/dbraw/zinc/02/19/78/511021978.db2.gz VEFVPUUWJMTFNE-XGHQBKJUSA-N -1 3 369.465 2.716 20 30 FFEDHM C=CCCCCCCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000287231859 511044965 /nfs/dbraw/zinc/04/49/65/511044965.db2.gz WAMUIMHFMQXCFM-INIZCTEOSA-N -1 3 358.442 2.695 20 30 FFEDHM N#Cc1c2c(sc1[N-]C(=O)c1cc(Cn3cccn3)on1)CCCC2 ZINC000297799942 511072551 /nfs/dbraw/zinc/07/25/51/511072551.db2.gz IYYIVGSXKIXMAC-UHFFFAOYSA-N -1 3 353.407 2.984 20 30 FFEDHM Cc1ccc([O-])c(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000271147719 511097626 /nfs/dbraw/zinc/09/76/26/511097626.db2.gz DGIPEAQOLDUVRQ-UHFFFAOYSA-N -1 3 350.422 2.818 20 30 FFEDHM C=CCC1(c2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)CCC1 ZINC000290170603 511128832 /nfs/dbraw/zinc/12/88/32/511128832.db2.gz KOGGZEUALTXOCU-SFHVURJKSA-N -1 3 352.394 2.789 20 30 FFEDHM C=CCN(C(=O)CCc1ccc2ccccc2c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000294702786 511148879 /nfs/dbraw/zinc/14/88/79/511148879.db2.gz ZCLUIHZKGZAGPR-QGZVFWFLSA-N -1 3 373.474 2.680 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1cnc2ccccc2n1 ZINC000291505573 511223462 /nfs/dbraw/zinc/22/34/62/511223462.db2.gz VVNSZOLZNVBJSR-UHFFFAOYSA-N -1 3 361.405 2.815 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000298513076 511311380 /nfs/dbraw/zinc/31/13/80/511311380.db2.gz MOCRFGKOUYIJOG-CQSZACIVSA-N -1 3 366.465 2.849 20 30 FFEDHM C=CCNc1ncc(C(=O)[N-]c2nnc(C3CCOCC3)s2)s1 ZINC000295634298 511466872 /nfs/dbraw/zinc/46/68/72/511466872.db2.gz QDKWQNHHGJOIAR-UHFFFAOYSA-N -1 3 351.457 2.739 20 30 FFEDHM CO[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)Cc1ccccc1 ZINC000295678265 511479472 /nfs/dbraw/zinc/47/94/72/511479472.db2.gz IIHGBVNKXZWOLQ-QGZVFWFLSA-N -1 3 367.449 2.582 20 30 FFEDHM CC(C)[C@H](C#N)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272710252 511505601 /nfs/dbraw/zinc/50/56/01/511505601.db2.gz CKBBLKWWJFSBFT-OALUTQOASA-N -1 3 365.433 2.918 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000295805190 511520034 /nfs/dbraw/zinc/52/00/34/511520034.db2.gz SYANCWBGGOFBAG-QWRGUYRKSA-N -1 3 368.256 2.681 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc2c1OCCO2 ZINC000274187511 511748567 /nfs/dbraw/zinc/74/85/67/511748567.db2.gz JQECHBNMCZQUEO-UHFFFAOYSA-N -1 3 354.362 2.585 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000281321579 511803249 /nfs/dbraw/zinc/80/32/49/511803249.db2.gz LHBPYCLCPRENQA-GFCCVEGCSA-N -1 3 355.460 2.933 20 30 FFEDHM C=CCCCCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000274573723 511878359 /nfs/dbraw/zinc/87/83/59/511878359.db2.gz JGTIZRYQXKARRE-UHFFFAOYSA-N -1 3 355.460 2.935 20 30 FFEDHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1 ZINC000329043299 511973526 /nfs/dbraw/zinc/97/35/26/511973526.db2.gz FAAJZTCBAVUDFI-CXAGYDPISA-N -1 3 369.425 2.559 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000364302603 512076255 /nfs/dbraw/zinc/07/62/55/512076255.db2.gz LPMNFXVVIMUBJF-DLBZAZTESA-N -1 3 371.481 2.874 20 30 FFEDHM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)NCCF ZINC000411494963 512662689 /nfs/dbraw/zinc/66/26/89/512662689.db2.gz UPSFNMPWHJSRLE-SECBINFHSA-N -1 3 360.229 2.511 20 30 FFEDHM C[C@@H](NC(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(C)(F)F ZINC000411571755 512696529 /nfs/dbraw/zinc/69/65/29/512696529.db2.gz HLAIORZOAHQNDH-LDWIPMOCSA-N -1 3 374.256 2.844 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)c(F)c1 ZINC000376430115 512815358 /nfs/dbraw/zinc/81/53/58/512815358.db2.gz VSKXQYOUEHCBLT-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3c[n-]c4ccccc4c3=O)CCO2)c1 ZINC000372366676 512836676 /nfs/dbraw/zinc/83/66/76/512836676.db2.gz OEJWJXHBTFGLRT-IBGZPJMESA-N -1 3 359.385 2.613 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)COCc1ccccc1 ZINC000390424068 512907346 /nfs/dbraw/zinc/90/73/46/512907346.db2.gz LLGONTWBLOXKSI-ZDUSSCGKSA-N -1 3 350.465 2.751 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC(F)(F)F)cc1Br ZINC000433867705 513171369 /nfs/dbraw/zinc/17/13/69/513171369.db2.gz JNQWILCNKGQNDN-UHFFFAOYSA-N -1 3 357.151 2.551 20 30 FFEDHM N#CC[C@@H]1CC[C@H](N=c2cc(N[C@H]3CC[C@@H](CC#N)C3)n3[n-]cnc3n2)C1 ZINC000450676719 513299359 /nfs/dbraw/zinc/29/93/59/513299359.db2.gz XRGGXSCVJAXJHS-VGWMRTNUSA-N -1 3 364.457 2.535 20 30 FFEDHM CCOC(=O)c1ccc(C#N)c(SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000412984163 513379999 /nfs/dbraw/zinc/37/99/99/513379999.db2.gz BXDNASSIROHKJD-UHFFFAOYSA-N -1 3 356.407 2.795 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)nn1 ZINC000415730631 513401601 /nfs/dbraw/zinc/40/16/01/513401601.db2.gz DPXNYCOSZHRHMK-QWRGUYRKSA-N -1 3 359.455 2.796 20 30 FFEDHM CCc1nc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)cs1 ZINC000451175193 513568043 /nfs/dbraw/zinc/56/80/43/513568043.db2.gz IJHWGTPYYUVXEI-UHFFFAOYSA-N -1 3 355.872 2.903 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432140 513584874 /nfs/dbraw/zinc/58/48/74/513584874.db2.gz HPZVTJHRZIZNAC-BONVTDFDSA-N -1 3 354.428 2.813 20 30 FFEDHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc(C#N)s2)c1C ZINC000435442653 513592028 /nfs/dbraw/zinc/59/20/28/513592028.db2.gz JVMVMPMZELWXQO-UHFFFAOYSA-N -1 3 350.465 2.984 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)sc1C ZINC000451258670 513629150 /nfs/dbraw/zinc/62/91/50/513629150.db2.gz GIZUVHFTKNZEGN-UHFFFAOYSA-N -1 3 355.872 2.958 20 30 FFEDHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3(CC#N)CC3)n2)cc1 ZINC000451313522 513671539 /nfs/dbraw/zinc/67/15/39/513671539.db2.gz MRRICUXLKJSSJQ-CYBMUJFWSA-N -1 3 374.466 2.973 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CO)CC1CCCCC1 ZINC000416333398 513716508 /nfs/dbraw/zinc/71/65/08/513716508.db2.gz OKVFDICJROYMDL-MRXNPFEDSA-N -1 3 359.470 2.656 20 30 FFEDHM Cc1cccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000443010542 513841488 /nfs/dbraw/zinc/84/14/88/513841488.db2.gz AJIUOBZFDSUREN-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N1CCC(C)CC1 ZINC000443035885 513849842 /nfs/dbraw/zinc/84/98/42/513849842.db2.gz KVSFQOQIMHQKAM-CYBMUJFWSA-N -1 3 355.891 2.610 20 30 FFEDHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416659328 513892677 /nfs/dbraw/zinc/89/26/77/513892677.db2.gz HMCOIERHZSTNFN-KRWDZBQOSA-N -1 3 358.467 2.767 20 30 FFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C12CCC2 ZINC000443247733 513911428 /nfs/dbraw/zinc/91/14/28/513911428.db2.gz UZYMATVLVWRZCF-HUUCEWRRSA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436737177 513963322 /nfs/dbraw/zinc/96/33/22/513963322.db2.gz IJAUDSUFBHGDCH-UHFFFAOYSA-N -1 3 366.377 2.889 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(Cl)c1 ZINC000443507838 513983049 /nfs/dbraw/zinc/98/30/49/513983049.db2.gz HNLULGLQDGNJKK-UHFFFAOYSA-N -1 3 368.817 2.880 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H](CO)C(C)C ZINC000451861145 514026884 /nfs/dbraw/zinc/02/68/84/514026884.db2.gz UUZUPUMWQZZNEZ-XJKSGUPXSA-N -1 3 358.891 2.779 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436960288 514051211 /nfs/dbraw/zinc/05/12/11/514051211.db2.gz KDBCSYIWDXREJU-UHFFFAOYSA-N -1 3 359.470 2.999 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCCCC1 ZINC000451941928 514085194 /nfs/dbraw/zinc/08/51/94/514085194.db2.gz QIJAXUUMIVEUNA-UHFFFAOYSA-N -1 3 357.497 2.647 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)CCOCC2CC2)ccc1OC(F)(F)F ZINC000424061164 514362672 /nfs/dbraw/zinc/36/26/72/514362672.db2.gz DYVYHTIRUNWMDB-UHFFFAOYSA-N -1 3 364.345 2.625 20 30 FFEDHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1C#N ZINC000424062829 514363378 /nfs/dbraw/zinc/36/33/78/514363378.db2.gz HYFZOEINRMDTSM-UHFFFAOYSA-N -1 3 352.456 2.904 20 30 FFEDHM Cc1cc(=NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)[nH]n1CCC#N ZINC000428035676 514382217 /nfs/dbraw/zinc/38/22/17/514382217.db2.gz VQIHLGOUWVIABT-UHFFFAOYSA-N -1 3 360.830 2.884 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000428260501 514434530 /nfs/dbraw/zinc/43/45/30/514434530.db2.gz MCILEKBVTSVJOO-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000489236218 514764220 /nfs/dbraw/zinc/76/42/20/514764220.db2.gz RVSKXGCOBDSOGW-CQSZACIVSA-N -1 3 350.444 2.714 20 30 FFEDHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475788093 514810054 /nfs/dbraw/zinc/81/00/54/514810054.db2.gz KXBMSXOHLJTBLF-CHWSQXEVSA-N -1 3 355.891 2.753 20 30 FFEDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475800250 514814628 /nfs/dbraw/zinc/81/46/28/514814628.db2.gz LXJGIKCCVSDZNA-AWEZNQCLSA-N -1 3 355.891 2.754 20 30 FFEDHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000467153079 514921291 /nfs/dbraw/zinc/92/12/91/514921291.db2.gz SQVNQTHNKPQXJI-LBPRGKRZSA-N -1 3 371.453 2.625 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1c(C)nn(C)c1C ZINC000476301923 514990326 /nfs/dbraw/zinc/99/03/26/514990326.db2.gz DQMTVDFZYDQJBP-AWEZNQCLSA-N -1 3 366.874 2.992 20 30 FFEDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476337270 515008549 /nfs/dbraw/zinc/00/85/49/515008549.db2.gz AAHGKXDHJFVLEZ-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM N#C[C@]1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCc2ccccc2C1 ZINC000471920163 515054780 /nfs/dbraw/zinc/05/47/80/515054780.db2.gz RXFKPPDOHREADX-KRWDZBQOSA-N -1 3 366.364 2.833 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c(F)c1 ZINC000490053068 515082944 /nfs/dbraw/zinc/08/29/44/515082944.db2.gz IKUDEPVMWCCSBO-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM C=CC[C@H](CC)NC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000467694768 515083085 /nfs/dbraw/zinc/08/30/85/515083085.db2.gz BWOVHXSYDQCVJM-BBRMVZONSA-N -1 3 356.463 2.600 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1(CO)CCC1 ZINC000490132899 515117212 /nfs/dbraw/zinc/11/72/12/515117212.db2.gz MTITUTMUFGNYJZ-OAHLLOKOSA-N -1 3 356.875 2.677 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000476592087 515121052 /nfs/dbraw/zinc/12/10/52/515121052.db2.gz DOXNQUTUQJBWCT-ZETCQYMHSA-N -1 3 371.178 2.797 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cc(F)c(F)c(F)c1 ZINC000503807845 515144732 /nfs/dbraw/zinc/14/47/32/515144732.db2.gz BTLMCNNRBOSDBR-UHFFFAOYSA-N -1 3 358.316 2.636 20 30 FFEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@H](C)C2 ZINC000503883975 515158976 /nfs/dbraw/zinc/15/89/76/515158976.db2.gz KAKFCSQDFMWEKF-XIKOKIGWSA-N -1 3 371.418 2.987 20 30 FFEDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000490563318 515248056 /nfs/dbraw/zinc/24/80/56/515248056.db2.gz ZJTKODPTPFLHHL-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000509593526 515248912 /nfs/dbraw/zinc/24/89/12/515248912.db2.gz RUMJQRPKRDLCOO-UHFFFAOYSA-N -1 3 354.409 2.700 20 30 FFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000510034515 515411475 /nfs/dbraw/zinc/41/14/75/515411475.db2.gz MCWDHKLTWJCCRX-LLVKDONJSA-N -1 3 374.890 2.731 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c(Cl)c1 ZINC000486496592 515510389 /nfs/dbraw/zinc/51/03/89/515510389.db2.gz REIZOALJVWYFNR-UHFFFAOYSA-N -1 3 350.783 2.784 20 30 FFEDHM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(CN3CCCCC3)cc2)[n-]1 ZINC000469199149 515718963 /nfs/dbraw/zinc/71/89/63/515718963.db2.gz ZXFCMCAEUGMAPA-UHFFFAOYSA-N -1 3 351.454 2.996 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cnnn2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464411189 515813745 /nfs/dbraw/zinc/81/37/45/515813745.db2.gz LKWKAEMYQSPISY-ZDUSSCGKSA-N -1 3 358.283 2.566 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000479148823 516079858 /nfs/dbraw/zinc/07/98/58/516079858.db2.gz YVUCGUDJWLQYNL-GXFFZTMASA-N -1 3 358.261 2.595 20 30 FFEDHM C=CCCCCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000474668388 516145846 /nfs/dbraw/zinc/14/58/46/516145846.db2.gz AMMDPJBSKDUQMJ-INIZCTEOSA-N -1 3 356.463 2.601 20 30 FFEDHM CC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c([O-])c1 ZINC000501978297 516277498 /nfs/dbraw/zinc/27/74/98/516277498.db2.gz MKGOMMWWAKBMDD-UHFFFAOYSA-N -1 3 351.406 2.930 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(N4CC[C@@H](C)C4)c3)nc1-2 ZINC000547488438 516369973 /nfs/dbraw/zinc/36/99/73/516369973.db2.gz HNLDSSHSFRIQAV-DOMZBBRYSA-N -1 3 360.421 2.998 20 30 FFEDHM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000561111863 516386544 /nfs/dbraw/zinc/38/65/44/516386544.db2.gz VGZCDDYENRMDAN-HOCLYGCPSA-N -1 3 360.410 2.788 20 30 FFEDHM C=CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CC1 ZINC000540135425 516454092 /nfs/dbraw/zinc/45/40/92/516454092.db2.gz YYALCVAUVKNELF-UHFFFAOYSA-N -1 3 363.414 2.745 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000557859485 516476936 /nfs/dbraw/zinc/47/69/36/516476936.db2.gz ZXGYTEDNKQHOEB-OAHLLOKOSA-N -1 3 368.817 2.753 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c(F)c1 ZINC000523570824 516509069 /nfs/dbraw/zinc/50/90/69/516509069.db2.gz CPKAFNWHBDXQDE-AEFFLSMTSA-N -1 3 360.410 2.896 20 30 FFEDHM COc1cccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1[O-] ZINC000535787253 516509512 /nfs/dbraw/zinc/50/95/12/516509512.db2.gz ZODYVSXINZBNGV-UHFFFAOYSA-N -1 3 367.405 2.787 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCC1 ZINC000528546243 516519770 /nfs/dbraw/zinc/51/97/70/516519770.db2.gz BYMZSNAHUFIURG-CYBMUJFWSA-N -1 3 353.875 2.507 20 30 FFEDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561531259 516635836 /nfs/dbraw/zinc/63/58/36/516635836.db2.gz PBVYVHAMVXOGRS-VIFPVBQESA-N -1 3 363.302 2.741 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000561558479 516652521 /nfs/dbraw/zinc/65/25/21/516652521.db2.gz WERVZKXVWVWSEQ-ABKXIKBNSA-N -1 3 350.346 2.637 20 30 FFEDHM C[C@@H](C#N)CNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000518421204 516652670 /nfs/dbraw/zinc/65/26/70/516652670.db2.gz PAJREKRVUTUFBM-LBPRGKRZSA-N -1 3 369.512 2.639 20 30 FFEDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000554963724 516722659 /nfs/dbraw/zinc/72/26/59/516722659.db2.gz NCYFQIBYCKCICL-CQSZACIVSA-N -1 3 362.838 2.802 20 30 FFEDHM COCCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000528922565 516798366 /nfs/dbraw/zinc/79/83/66/516798366.db2.gz XSDJHOJOHBEVAS-OAHLLOKOSA-N -1 3 360.801 2.534 20 30 FFEDHM CN1c2ccc(C([O-])=C(C#N)c3ccccn3)cc2C(C)(C)S1(=O)=O ZINC000528922591 516798626 /nfs/dbraw/zinc/79/86/26/516798626.db2.gz YBLNXBPNIZJDOH-ZDUSSCGKSA-N -1 3 355.419 2.586 20 30 FFEDHM C[C@@]1(c2ccc(-c3noc(-c4ccc(CC#N)cc4)n3)cc2)NC(=O)[N-]C1=O ZINC000544906985 516985136 /nfs/dbraw/zinc/98/51/36/516985136.db2.gz VOCNPMVJQVNOLK-FQEVSTJZSA-N -1 3 373.372 2.524 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000548441027 516985823 /nfs/dbraw/zinc/98/58/23/516985823.db2.gz QMMVOQCFDDEXRO-FZKQIMNGSA-N -1 3 361.442 2.667 20 30 FFEDHM N#CC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000562436925 517108648 /nfs/dbraw/zinc/10/86/48/517108648.db2.gz KRFQGUAFVINIED-UHFFFAOYSA-N -1 3 373.409 2.660 20 30 FFEDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1C ZINC000533095942 517291419 /nfs/dbraw/zinc/29/14/19/517291419.db2.gz ONBGAXGMRKQFAN-UHFFFAOYSA-N -1 3 352.847 2.523 20 30 FFEDHM COc1ccc([O-])c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000527114282 517511032 /nfs/dbraw/zinc/51/10/32/517511032.db2.gz QKXTUKRYRNRUEP-UHFFFAOYSA-N -1 3 367.405 2.787 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC2CCCC2)cc1 ZINC000520968377 517564701 /nfs/dbraw/zinc/56/47/01/517564701.db2.gz QNEYSACGKURHKB-ZDUSSCGKSA-N -1 3 370.496 2.694 20 30 FFEDHM COC(=O)c1cc([N-]C(=O)c2ncc(C#N)cc2Cl)c(F)cc1F ZINC000533676151 517567826 /nfs/dbraw/zinc/56/78/26/517567826.db2.gz KOLPVFRGHVGQMW-UHFFFAOYSA-N -1 3 351.696 2.924 20 30 FFEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000533693479 517573914 /nfs/dbraw/zinc/57/39/14/517573914.db2.gz JBEDOVOSFISIRU-NHYWBVRUSA-N -1 3 370.446 2.732 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c(C(F)(F)F)c1 ZINC000553481663 517737046 /nfs/dbraw/zinc/73/70/46/517737046.db2.gz RQFKNDLBROWBIN-UHFFFAOYSA-N -1 3 360.313 2.657 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1nc2ccccc2o1 ZINC000556908130 517740261 /nfs/dbraw/zinc/74/02/61/517740261.db2.gz DUEBZSAJRSLOMJ-UHFFFAOYSA-N -1 3 364.405 2.708 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1 ZINC000557062308 517830314 /nfs/dbraw/zinc/83/03/14/517830314.db2.gz YBXQUGXMAYOXEQ-UHFFFAOYSA-N -1 3 370.434 2.756 20 30 FFEDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000543167605 517942219 /nfs/dbraw/zinc/94/22/19/517942219.db2.gz WYQVXBQGNISWQQ-CQSZACIVSA-N -1 3 368.842 2.731 20 30 FFEDHM C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(C)C ZINC000563518872 517956351 /nfs/dbraw/zinc/95/63/51/517956351.db2.gz DPNYOJSASOOUMH-IRXDYDNUSA-N -1 3 351.491 2.581 20 30 FFEDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000553911856 517966913 /nfs/dbraw/zinc/96/69/13/517966913.db2.gz SLZMKIIVIZZSIS-CQSZACIVSA-N -1 3 362.426 2.971 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000517093093 518023099 /nfs/dbraw/zinc/02/30/99/518023099.db2.gz USTSOOGLZZCEHL-UHFFFAOYSA-N -1 3 371.528 2.595 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000530975024 518078351 /nfs/dbraw/zinc/07/83/51/518078351.db2.gz MTUBZNIVJHIGNO-SOZUMNATSA-N -1 3 360.410 2.929 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1C#N ZINC000584550138 518393382 /nfs/dbraw/zinc/39/33/82/518393382.db2.gz CVTOIMIOABBVHP-OAHLLOKOSA-N -1 3 374.441 2.553 20 30 FFEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2cccc(C#N)c2)[n-]1 ZINC000584815164 518488363 /nfs/dbraw/zinc/48/83/63/518488363.db2.gz VZKDHBFBVGBDTO-UHFFFAOYSA-N -1 3 354.410 2.982 20 30 FFEDHM CCCCc1nc(NC(=O)Cc2cccc(C#N)c2)c(C(=O)OCC)[n-]1 ZINC000584815164 518488370 /nfs/dbraw/zinc/48/83/70/518488370.db2.gz VZKDHBFBVGBDTO-UHFFFAOYSA-N -1 3 354.410 2.982 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)SCC(=O)N2)c1nnc2n1CCCCC2 ZINC000584869936 518516733 /nfs/dbraw/zinc/51/67/33/518516733.db2.gz ARUIQLYFZGZRLC-GFCCVEGCSA-N -1 3 367.434 2.539 20 30 FFEDHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000570577399 518677337 /nfs/dbraw/zinc/67/73/37/518677337.db2.gz ZZHPXHOASSYXJG-GHMZBOCLSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCCCO1 ZINC000588122868 518730929 /nfs/dbraw/zinc/73/09/29/518730929.db2.gz IAWHEZYHAOHTKS-MFKMUULPSA-N -1 3 373.272 2.557 20 30 FFEDHM CC(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000573877753 518878108 /nfs/dbraw/zinc/87/81/08/518878108.db2.gz ONOATQVDIRBHAA-MRXNPFEDSA-N -1 3 366.483 2.734 20 30 FFEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000589586703 519036070 /nfs/dbraw/zinc/03/60/70/519036070.db2.gz TZPWZRVODQCIIB-UHFFFAOYSA-N -1 3 364.810 2.993 20 30 FFEDHM C=CCCCCCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000574219469 519047095 /nfs/dbraw/zinc/04/70/95/519047095.db2.gz UQOGIIMPPWENDN-UHFFFAOYSA-N -1 3 355.851 2.545 20 30 FFEDHM C=CCCCCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000574219469 519047099 /nfs/dbraw/zinc/04/70/99/519047099.db2.gz UQOGIIMPPWENDN-UHFFFAOYSA-N -1 3 355.851 2.545 20 30 FFEDHM C=CCOCc1nc(-c2nnc(-c3cccc(Br)c3)[n-]2)no1 ZINC000583455401 519255792 /nfs/dbraw/zinc/25/57/92/519255792.db2.gz AHQNVFFNTBQFSO-UHFFFAOYSA-N -1 3 362.187 2.987 20 30 FFEDHM C=CCOCc1nc(-c2nc(-c3cccc(Br)c3)n[n-]2)no1 ZINC000583455401 519255800 /nfs/dbraw/zinc/25/58/00/519255800.db2.gz AHQNVFFNTBQFSO-UHFFFAOYSA-N -1 3 362.187 2.987 20 30 FFEDHM C=CCOCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000583455401 519255808 /nfs/dbraw/zinc/25/58/08/519255808.db2.gz AHQNVFFNTBQFSO-UHFFFAOYSA-N -1 3 362.187 2.987 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2CSc3ccccc3O2)CCCCC1 ZINC000574687910 519281462 /nfs/dbraw/zinc/28/14/62/519281462.db2.gz FWXPCVGLAYKDJV-CQSZACIVSA-N -1 3 366.508 2.933 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000590765200 519357102 /nfs/dbraw/zinc/35/71/02/519357102.db2.gz PNGLVBTUXJUUSU-QWRGUYRKSA-N -1 3 355.257 2.645 20 30 FFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1[n-]nc2c1cccc2OC ZINC000569288077 519471366 /nfs/dbraw/zinc/47/13/66/519471366.db2.gz XPKFFZHJXSKWMG-UHFFFAOYSA-N -1 3 366.377 2.721 20 30 FFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1n[n-]c2c1cccc2OC ZINC000569288077 519471372 /nfs/dbraw/zinc/47/13/72/519471372.db2.gz XPKFFZHJXSKWMG-UHFFFAOYSA-N -1 3 366.377 2.721 20 30 FFEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCC[C@]3(CCCCO3)[C@@H]1C#N)c2=O ZINC000566404728 519473626 /nfs/dbraw/zinc/47/36/26/519473626.db2.gz VMOWBWRIIVCUEY-LAUBAEHRSA-N -1 3 365.433 2.904 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594472898 519983260 /nfs/dbraw/zinc/98/32/60/519983260.db2.gz HJESULXEJNYTNU-ZBFHGGJFSA-N -1 3 354.859 2.838 20 30 FFEDHM CC(C)(C)n1nnc(C(=O)[N-]c2nc(-c3cccc(C#N)c3)cs2)n1 ZINC000597435423 520026705 /nfs/dbraw/zinc/02/67/05/520026705.db2.gz YPJUVLXEEJVZIQ-UHFFFAOYSA-N -1 3 353.411 2.676 20 30 FFEDHM COc1cccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1[O-] ZINC000603160677 520126682 /nfs/dbraw/zinc/12/66/82/520126682.db2.gz KXFJLRBFYSGPHU-MRXNPFEDSA-N -1 3 351.406 2.623 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)[C@H]1CCOC1 ZINC000594756673 520137655 /nfs/dbraw/zinc/13/76/55/520137655.db2.gz DIJHAEJHWUYLLP-AAEUAGOBSA-N -1 3 350.465 2.785 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CC12CCOCC2 ZINC000594779545 520153891 /nfs/dbraw/zinc/15/38/91/520153891.db2.gz USBQUGIADCVIKN-HNNXBMFYSA-N -1 3 362.476 2.929 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594782730 520156148 /nfs/dbraw/zinc/15/61/48/520156148.db2.gz MJIYLPXPPJZARN-ZDUSSCGKSA-N -1 3 350.465 2.687 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594871207 520201395 /nfs/dbraw/zinc/20/13/95/520201395.db2.gz YCFODZAXQUHGGX-UHFFFAOYSA-N -1 3 371.365 2.713 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1)C(C)C ZINC000592382098 520359608 /nfs/dbraw/zinc/35/96/08/520359608.db2.gz HVJSIYCVINGBBT-ZIAGYGMSSA-N -1 3 364.389 2.860 20 30 FFEDHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@]1(C#N)CCc2ccccc2C1 ZINC000592383085 520361738 /nfs/dbraw/zinc/36/17/38/520361738.db2.gz GAVXYZSZCDUABM-SFHVURJKSA-N -1 3 360.410 2.564 20 30 FFEDHM Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000595366416 520432331 /nfs/dbraw/zinc/43/23/31/520432331.db2.gz UIDPMTFPIAKSGG-UHFFFAOYSA-N -1 3 351.378 2.640 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccnc(Oc2ccccc2)c1 ZINC000617465417 520514365 /nfs/dbraw/zinc/51/43/65/520514365.db2.gz APYVLIWHNYTREV-UHFFFAOYSA-N -1 3 366.402 2.619 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c(F)c1 ZINC000610081445 520532193 /nfs/dbraw/zinc/53/21/93/520532193.db2.gz TUDYOHUVYBUTLW-UHFFFAOYSA-N -1 3 356.325 2.777 20 30 FFEDHM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610265626 520611604 /nfs/dbraw/zinc/61/16/04/520611604.db2.gz DMCXVQHXRVREQS-HNNXBMFYSA-N -1 3 362.382 2.508 20 30 FFEDHM N#CC[C@@]1(O)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000592847059 520615208 /nfs/dbraw/zinc/61/52/08/520615208.db2.gz IHUNHVDFVWUEHH-OAQYLSRUSA-N -1 3 350.418 2.668 20 30 FFEDHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613926175 520730022 /nfs/dbraw/zinc/73/00/22/520730022.db2.gz ULZCKHIUXZBEFR-MLGOLLRUSA-N -1 3 364.854 2.655 20 30 FFEDHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000613926161 520730898 /nfs/dbraw/zinc/73/08/98/520730898.db2.gz TVWIZPGLUAYMPN-WBVHZDCISA-N -1 3 350.484 2.544 20 30 FFEDHM COc1ccccc1[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)N1CCCC1 ZINC000614293264 520895687 /nfs/dbraw/zinc/89/56/87/520895687.db2.gz GJQCMXZNVIEGLD-IBGZPJMESA-N -1 3 365.433 2.839 20 30 FFEDHM CCn1nc(C)c(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000601701837 520910903 /nfs/dbraw/zinc/91/09/03/520910903.db2.gz ODAGXTPSPMXTNU-UHFFFAOYSA-N -1 3 369.469 2.700 20 30 FFEDHM N#Cc1cccnc1OC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596204356 520970249 /nfs/dbraw/zinc/97/02/49/520970249.db2.gz UCJYBXXDQQTVBT-UHFFFAOYSA-N -1 3 355.354 2.764 20 30 FFEDHM N#Cc1ccc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000596213145 520973392 /nfs/dbraw/zinc/97/33/92/520973392.db2.gz TZPIBWLMHMORQW-UHFFFAOYSA-N -1 3 359.773 2.547 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c1 ZINC000611234419 521051057 /nfs/dbraw/zinc/05/10/57/521051057.db2.gz YJDCJPOLMLAJKD-HNNXBMFYSA-N -1 3 366.801 2.904 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)CCCC2)no1 ZINC000593527929 521052515 /nfs/dbraw/zinc/05/25/15/521052515.db2.gz GCOOSINHYXBZCI-UHFFFAOYSA-N -1 3 374.466 2.927 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)OCO2 ZINC000593537943 521061520 /nfs/dbraw/zinc/06/15/20/521061520.db2.gz HSNUHHVBUOIEBQ-UHFFFAOYSA-N -1 3 364.448 2.605 20 30 FFEDHM CCCOc1cccc(CC[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593566233 521081290 /nfs/dbraw/zinc/08/12/90/521081290.db2.gz LUXLFAZOLOFGBE-UHFFFAOYSA-N -1 3 350.465 2.930 20 30 FFEDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593571960 521084999 /nfs/dbraw/zinc/08/49/99/521084999.db2.gz YHUUOFAYXQBWCQ-LBPRGKRZSA-N -1 3 350.465 2.785 20 30 FFEDHM C=CCn1c(-c2ccc(C)o2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634342014 523358605 /nfs/dbraw/zinc/35/86/05/523358605.db2.gz WIQGUUNXVCXHEZ-UHFFFAOYSA-N -1 3 367.457 2.661 20 30 FFEDHM FC(F)CNN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737639221 598911518 /nfs/dbraw/zinc/91/15/18/598911518.db2.gz PFWXWTVWPVIORW-UHFFFAOYSA-N -1 3 358.352 2.634 20 30 FFEDHM FC(F)CNN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737639221 598911520 /nfs/dbraw/zinc/91/15/20/598911520.db2.gz PFWXWTVWPVIORW-UHFFFAOYSA-N -1 3 358.352 2.634 20 30 FFEDHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736194169 598914958 /nfs/dbraw/zinc/91/49/58/598914958.db2.gz WXUYQGSSCDBKOQ-GFCCVEGCSA-N -1 3 364.434 2.999 20 30 FFEDHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736194169 598914959 /nfs/dbraw/zinc/91/49/59/598914959.db2.gz WXUYQGSSCDBKOQ-GFCCVEGCSA-N -1 3 364.434 2.999 20 30 FFEDHM N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CCC2)ccc1-c1nnn[n-]1 ZINC000737704579 598917096 /nfs/dbraw/zinc/91/70/96/598917096.db2.gz KFNCFBYWIBFOLV-UHFFFAOYSA-N -1 3 362.368 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CCC2)ccc1-c1nn[n-]n1 ZINC000737704579 598917097 /nfs/dbraw/zinc/91/70/97/598917097.db2.gz KFNCFBYWIBFOLV-UHFFFAOYSA-N -1 3 362.368 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC000737708456 598918872 /nfs/dbraw/zinc/91/88/72/598918872.db2.gz GDJVCQMDDWFZIS-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC000737708456 598918874 /nfs/dbraw/zinc/91/88/74/598918874.db2.gz GDJVCQMDDWFZIS-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)nc2sccn21 ZINC000819772373 607254384 /nfs/dbraw/zinc/25/43/84/607254384.db2.gz DPIZTVYHZPDRGJ-UHFFFAOYSA-N -1 3 372.845 2.743 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000736170885 598969769 /nfs/dbraw/zinc/96/97/69/598969769.db2.gz SITNWTYPPAUKCI-DJJJIMSYSA-N -1 3 368.441 2.613 20 30 FFEDHM C[C@](C#N)(NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735503142 598969901 /nfs/dbraw/zinc/96/99/01/598969901.db2.gz HEHSHBYUMIIYGS-LJQANCHMSA-N -1 3 352.442 2.778 20 30 FFEDHM C[C@](C#N)(NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735503142 598969903 /nfs/dbraw/zinc/96/99/03/598969903.db2.gz HEHSHBYUMIIYGS-LJQANCHMSA-N -1 3 352.442 2.778 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735426796 598993778 /nfs/dbraw/zinc/99/37/78/598993778.db2.gz XHFZGUMVHJJHHD-UHFFFAOYSA-N -1 3 355.423 2.556 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735426796 598993779 /nfs/dbraw/zinc/99/37/79/598993779.db2.gz XHFZGUMVHJJHHD-UHFFFAOYSA-N -1 3 355.423 2.556 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccnc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737500168 599158741 /nfs/dbraw/zinc/15/87/41/599158741.db2.gz DCAOVZPHIPFZRF-YFHOEESVSA-N -1 3 371.404 2.960 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1-c1nnn[n-]1 ZINC000737715984 599196034 /nfs/dbraw/zinc/19/60/34/599196034.db2.gz JHPSVKMHZZPFHO-CQSZACIVSA-N -1 3 362.418 2.956 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1-c1nn[n-]n1 ZINC000737715984 599196035 /nfs/dbraw/zinc/19/60/35/599196035.db2.gz JHPSVKMHZZPFHO-CQSZACIVSA-N -1 3 362.418 2.956 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736245581 599201871 /nfs/dbraw/zinc/20/18/71/599201871.db2.gz SXIGEOUSNAOJAE-SJKOYZFVSA-N -1 3 356.455 2.547 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736245581 599201873 /nfs/dbraw/zinc/20/18/73/599201873.db2.gz SXIGEOUSNAOJAE-SJKOYZFVSA-N -1 3 356.455 2.547 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822016386 607266875 /nfs/dbraw/zinc/26/68/75/607266875.db2.gz ZOGDFYJTUPCJHX-UHFFFAOYSA-N -1 3 364.434 2.919 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822016386 607266876 /nfs/dbraw/zinc/26/68/76/607266876.db2.gz ZOGDFYJTUPCJHX-UHFFFAOYSA-N -1 3 364.434 2.919 20 30 FFEDHM CCC(CC)n1nccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820901273 607316042 /nfs/dbraw/zinc/31/60/42/607316042.db2.gz AEFZWRNAGJLLNS-UHFFFAOYSA-N -1 3 350.386 2.548 20 30 FFEDHM CCC(CC)n1nccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820901273 607316043 /nfs/dbraw/zinc/31/60/43/607316043.db2.gz AEFZWRNAGJLLNS-UHFFFAOYSA-N -1 3 350.386 2.548 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000819701451 599270862 /nfs/dbraw/zinc/27/08/62/599270862.db2.gz HWVOTLUGPJHRJB-UHFFFAOYSA-N -1 3 366.356 2.970 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000819701451 599270864 /nfs/dbraw/zinc/27/08/64/599270864.db2.gz HWVOTLUGPJHRJB-UHFFFAOYSA-N -1 3 366.356 2.970 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822224858 599271136 /nfs/dbraw/zinc/27/11/36/599271136.db2.gz CSJIOQZNXAJSSW-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822224858 599271138 /nfs/dbraw/zinc/27/11/38/599271138.db2.gz CSJIOQZNXAJSSW-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM COc1ccc(Cl)cc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000737100365 598273139 /nfs/dbraw/zinc/27/31/39/598273139.db2.gz WBWWCEOWACDMHN-UHFFFAOYSA-N -1 3 373.829 2.670 20 30 FFEDHM COc1ccc(Cl)cc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000737100365 598273141 /nfs/dbraw/zinc/27/31/41/598273141.db2.gz WBWWCEOWACDMHN-UHFFFAOYSA-N -1 3 373.829 2.670 20 30 FFEDHM C=CCOCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735437645 598288428 /nfs/dbraw/zinc/28/84/28/598288428.db2.gz NKEJPCZJIKOIKX-UHFFFAOYSA-N -1 3 350.378 2.780 20 30 FFEDHM C=CCOCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735437645 598288431 /nfs/dbraw/zinc/28/84/31/598288431.db2.gz NKEJPCZJIKOIKX-UHFFFAOYSA-N -1 3 350.378 2.780 20 30 FFEDHM C=CCN(Cc1nc(-c2ccoc2)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425481 598309941 /nfs/dbraw/zinc/30/99/41/598309941.db2.gz BDATWQWPKGZOEU-UHFFFAOYSA-N -1 3 363.381 2.698 20 30 FFEDHM C=CCN(Cc1nc(-c2ccoc2)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425481 598309943 /nfs/dbraw/zinc/30/99/43/598309943.db2.gz BDATWQWPKGZOEU-UHFFFAOYSA-N -1 3 363.381 2.698 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735660633 598485950 /nfs/dbraw/zinc/48/59/50/598485950.db2.gz FJPCUDBLBAEZPM-HJWRWDBZSA-N -1 3 361.409 2.947 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735660633 598485952 /nfs/dbraw/zinc/48/59/52/598485952.db2.gz FJPCUDBLBAEZPM-HJWRWDBZSA-N -1 3 361.409 2.947 20 30 FFEDHM c1ccc(-c2nnn[n-]2)c(COc2cccc(CN=Nc3cnccn3)c2)c1 ZINC000735400497 598545528 /nfs/dbraw/zinc/54/55/28/598545528.db2.gz QVZLAIRQJOIEPG-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM c1ccc(-c2nn[n-]n2)c(COc2cccc(CN=Nc3cnccn3)c2)c1 ZINC000735400497 598545529 /nfs/dbraw/zinc/54/55/29/598545529.db2.gz QVZLAIRQJOIEPG-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000737721582 598551103 /nfs/dbraw/zinc/55/11/03/598551103.db2.gz LTJUEPHTWVLUAC-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000737721582 598551104 /nfs/dbraw/zinc/55/11/04/598551104.db2.gz LTJUEPHTWVLUAC-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735429384 598559550 /nfs/dbraw/zinc/55/95/50/598559550.db2.gz SYFMGXPSRORULQ-ZDUSSCGKSA-N -1 3 364.409 2.762 20 30 FFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735429384 598559551 /nfs/dbraw/zinc/55/95/51/598559551.db2.gz SYFMGXPSRORULQ-ZDUSSCGKSA-N -1 3 364.409 2.762 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1F ZINC000737082723 598638759 /nfs/dbraw/zinc/63/87/59/598638759.db2.gz YPZNQDFLFDMPTB-ALCCZGGFSA-N -1 3 367.384 2.967 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1F ZINC000737082723 598638760 /nfs/dbraw/zinc/63/87/60/598638760.db2.gz YPZNQDFLFDMPTB-ALCCZGGFSA-N -1 3 367.384 2.967 20 30 FFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1O ZINC000737039969 598638784 /nfs/dbraw/zinc/63/87/84/598638784.db2.gz AEASWQMKYKHUKP-SOFGYWHQSA-N -1 3 365.393 2.533 20 30 FFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)ccc1O ZINC000737039969 598638786 /nfs/dbraw/zinc/63/87/86/598638786.db2.gz AEASWQMKYKHUKP-SOFGYWHQSA-N -1 3 365.393 2.533 20 30 FFEDHM N#CCCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000737686989 598690022 /nfs/dbraw/zinc/69/00/22/598690022.db2.gz OBSNJOQKLRHLHK-UHFFFAOYSA-N -1 3 364.384 2.885 20 30 FFEDHM N#CCCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000737686989 598690024 /nfs/dbraw/zinc/69/00/24/598690024.db2.gz OBSNJOQKLRHLHK-UHFFFAOYSA-N -1 3 364.384 2.885 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000737721669 598713732 /nfs/dbraw/zinc/71/37/32/598713732.db2.gz BRVDTVJGXJIYES-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000737721669 598713733 /nfs/dbraw/zinc/71/37/33/598713733.db2.gz BRVDTVJGXJIYES-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(OCC#N)cc1 ZINC000736625928 598803349 /nfs/dbraw/zinc/80/33/49/598803349.db2.gz HAEJKIUCZODSSI-UHFFFAOYSA-N -1 3 351.366 2.747 20 30 FFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(OCC#N)cc1 ZINC000736625928 598803350 /nfs/dbraw/zinc/80/33/50/598803350.db2.gz HAEJKIUCZODSSI-UHFFFAOYSA-N -1 3 351.366 2.747 20 30 FFEDHM CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736502901 599308779 /nfs/dbraw/zinc/30/87/79/599308779.db2.gz QMDWBAXXDVHZHN-ZDUSSCGKSA-N -1 3 362.393 2.559 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cn1 ZINC000735418214 599373632 /nfs/dbraw/zinc/37/36/32/599373632.db2.gz DMXXRJRTVZRSBL-UHFFFAOYSA-N -1 3 354.801 2.744 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cn1 ZINC000735418214 599373634 /nfs/dbraw/zinc/37/36/34/599373634.db2.gz DMXXRJRTVZRSBL-UHFFFAOYSA-N -1 3 354.801 2.744 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000737065518 599460061 /nfs/dbraw/zinc/46/00/61/599460061.db2.gz HVXQRAOYISYJHV-PLNGDYQASA-N -1 3 364.340 2.558 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1F ZINC000737065518 599460063 /nfs/dbraw/zinc/46/00/63/599460063.db2.gz HVXQRAOYISYJHV-PLNGDYQASA-N -1 3 364.340 2.558 20 30 FFEDHM CCOc1cccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000736651620 599462751 /nfs/dbraw/zinc/46/27/51/599462751.db2.gz QHPMNVBXRIMBRA-BQYQJAHWSA-N -1 3 360.377 2.809 20 30 FFEDHM CCOc1cccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000736651620 599462755 /nfs/dbraw/zinc/46/27/55/599462755.db2.gz QHPMNVBXRIMBRA-BQYQJAHWSA-N -1 3 360.377 2.809 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826281435 607393677 /nfs/dbraw/zinc/39/36/77/607393677.db2.gz RRFQYYRKJPCAEA-UHFFFAOYSA-N -1 3 359.393 2.858 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826281435 607393679 /nfs/dbraw/zinc/39/36/79/607393679.db2.gz RRFQYYRKJPCAEA-UHFFFAOYSA-N -1 3 359.393 2.858 20 30 FFEDHM C#CCOc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000823855889 607394547 /nfs/dbraw/zinc/39/45/47/607394547.db2.gz CKSDSOKTDOJPPM-UHFFFAOYSA-N -1 3 374.404 2.690 20 30 FFEDHM C#CCOc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000823855889 607394549 /nfs/dbraw/zinc/39/45/49/607394549.db2.gz CKSDSOKTDOJPPM-UHFFFAOYSA-N -1 3 374.404 2.690 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820165912 607400156 /nfs/dbraw/zinc/40/01/56/607400156.db2.gz RTKDYRGYJATKJB-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820165912 607400158 /nfs/dbraw/zinc/40/01/58/607400158.db2.gz RTKDYRGYJATKJB-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000736106722 600115355 /nfs/dbraw/zinc/11/53/55/600115355.db2.gz JLAWKVPQOQQCAW-UHFFFAOYSA-N -1 3 363.483 2.776 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000824385188 607891624 /nfs/dbraw/zinc/89/16/24/607891624.db2.gz NTRXUPAAQYQXGQ-GFCCVEGCSA-N -1 3 367.438 2.701 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC#Cc1cccc(Cl)c1 ZINC000822818655 607463798 /nfs/dbraw/zinc/46/37/98/607463798.db2.gz FFFZITVQJANPKD-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC#Cc1cccc(Cl)c1 ZINC000822818655 607463801 /nfs/dbraw/zinc/46/38/01/607463801.db2.gz FFFZITVQJANPKD-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM Cc1ccc(F)c(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822239929 607465040 /nfs/dbraw/zinc/46/50/40/607465040.db2.gz LBHIXCQNPKQSNF-UHFFFAOYSA-N -1 3 373.392 2.774 20 30 FFEDHM Cc1ccc(F)c(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822239929 607465042 /nfs/dbraw/zinc/46/50/42/607465042.db2.gz LBHIXCQNPKQSNF-UHFFFAOYSA-N -1 3 373.392 2.774 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000832877709 601530578 /nfs/dbraw/zinc/53/05/78/601530578.db2.gz XAYQLCSLUJCMSE-SOLBZPMBSA-N -1 3 357.454 2.591 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c([N+](=O)[O-])c1 ZINC000826383973 607523470 /nfs/dbraw/zinc/52/34/70/607523470.db2.gz AGOXADYLBBAFTH-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c([N+](=O)[O-])c1 ZINC000826383973 607523472 /nfs/dbraw/zinc/52/34/72/607523472.db2.gz AGOXADYLBBAFTH-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)NCC2(NC(=O)[O-])CCCCCC2)CC1 ZINC000738485290 602679490 /nfs/dbraw/zinc/67/94/90/602679490.db2.gz HTLJRRQVPLPWPY-UHFFFAOYSA-N -1 3 366.506 2.687 20 30 FFEDHM N#Cc1ccccc1NC(=S)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826387466 607648706 /nfs/dbraw/zinc/64/87/06/607648706.db2.gz WPNKPMAWAYUCRI-UHFFFAOYSA-N -1 3 361.434 2.714 20 30 FFEDHM N#Cc1ccccc1NC(=S)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826387466 607648708 /nfs/dbraw/zinc/64/87/08/607648708.db2.gz WPNKPMAWAYUCRI-UHFFFAOYSA-N -1 3 361.434 2.714 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CCN3C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826233968 607681203 /nfs/dbraw/zinc/68/12/03/607681203.db2.gz BTIKAPFNNVVLLO-VURMDHGXSA-N -1 3 374.448 2.811 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CCN3C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826233968 607681205 /nfs/dbraw/zinc/68/12/05/607681205.db2.gz BTIKAPFNNVVLLO-VURMDHGXSA-N -1 3 374.448 2.811 20 30 FFEDHM CC(Cn1nc(C)cc1C)=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820308765 606176645 /nfs/dbraw/zinc/17/66/45/606176645.db2.gz XVBQCNNRMNHRFG-UHFFFAOYSA-N -1 3 364.413 2.525 20 30 FFEDHM CC(Cn1nc(C)cc1C)=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820308765 606176647 /nfs/dbraw/zinc/17/66/47/606176647.db2.gz XVBQCNNRMNHRFG-UHFFFAOYSA-N -1 3 364.413 2.525 20 30 FFEDHM C=CCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819733799 606236523 /nfs/dbraw/zinc/23/65/23/606236523.db2.gz BIVUEJXUNWCWPZ-JTQLQIEISA-N -1 3 363.805 2.747 20 30 FFEDHM C=CCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819733799 606236524 /nfs/dbraw/zinc/23/65/24/606236524.db2.gz BIVUEJXUNWCWPZ-JTQLQIEISA-N -1 3 363.805 2.747 20 30 FFEDHM N#CCc1ccc(NC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822814257 606326053 /nfs/dbraw/zinc/32/60/53/606326053.db2.gz DHVWXEOUMNWTGN-UHFFFAOYSA-N -1 3 350.407 2.664 20 30 FFEDHM N#CCc1ccc(NC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822814257 606326055 /nfs/dbraw/zinc/32/60/55/606326055.db2.gz DHVWXEOUMNWTGN-UHFFFAOYSA-N -1 3 350.407 2.664 20 30 FFEDHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820937786 606337596 /nfs/dbraw/zinc/33/75/96/606337596.db2.gz CZDCRROCPCSWMX-HNNXBMFYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820937786 606337598 /nfs/dbraw/zinc/33/75/98/606337598.db2.gz CZDCRROCPCSWMX-HNNXBMFYSA-N -1 3 366.356 2.674 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821694029 606339148 /nfs/dbraw/zinc/33/91/48/606339148.db2.gz ZYAUVPZBZHKUMC-KTKRTIGZSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821694029 606339149 /nfs/dbraw/zinc/33/91/49/606339149.db2.gz ZYAUVPZBZHKUMC-KTKRTIGZSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821693590 606339464 /nfs/dbraw/zinc/33/94/64/606339464.db2.gz FNILBLBEKWPGHJ-KHPPLWFESA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821693590 606339465 /nfs/dbraw/zinc/33/94/65/606339465.db2.gz FNILBLBEKWPGHJ-KHPPLWFESA-N -1 3 350.378 2.788 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(Cl)nc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016335 606391315 /nfs/dbraw/zinc/39/13/15/606391315.db2.gz XUGUINRHMCKSKA-GQCTYLIASA-N -1 3 354.801 2.867 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(Cl)nc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016335 606391317 /nfs/dbraw/zinc/39/13/17/606391317.db2.gz XUGUINRHMCKSKA-GQCTYLIASA-N -1 3 354.801 2.867 20 30 FFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000821105156 606505523 /nfs/dbraw/zinc/50/55/23/606505523.db2.gz WORWAYUIABOVHU-UHFFFAOYSA-N -1 3 360.421 2.720 20 30 FFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000821105156 606505524 /nfs/dbraw/zinc/50/55/24/606505524.db2.gz WORWAYUIABOVHU-UHFFFAOYSA-N -1 3 360.421 2.720 20 30 FFEDHM N#Cc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822837855 606557696 /nfs/dbraw/zinc/55/76/96/606557696.db2.gz VQOIDNXCFFEPDY-UHFFFAOYSA-N -1 3 371.303 2.697 20 30 FFEDHM N#Cc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822837855 606557697 /nfs/dbraw/zinc/55/76/97/606557697.db2.gz VQOIDNXCFFEPDY-UHFFFAOYSA-N -1 3 371.303 2.697 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820841791 606613521 /nfs/dbraw/zinc/61/35/21/606613521.db2.gz DQVHSDYUJMMURQ-OAHLLOKOSA-N -1 3 350.382 2.733 20 30 FFEDHM C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820385086 606684291 /nfs/dbraw/zinc/68/42/91/606684291.db2.gz OYMQAJCASDXGOW-VIFPVBQESA-N -1 3 354.320 2.508 20 30 FFEDHM C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820385086 606684292 /nfs/dbraw/zinc/68/42/92/606684292.db2.gz OYMQAJCASDXGOW-VIFPVBQESA-N -1 3 354.320 2.508 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(OC)c1 ZINC000819745690 606871206 /nfs/dbraw/zinc/87/12/06/606871206.db2.gz PPEFCHHAIFAOMR-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(OC)c1 ZINC000819745690 606871207 /nfs/dbraw/zinc/87/12/07/606871207.db2.gz PPEFCHHAIFAOMR-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822225200 607017610 /nfs/dbraw/zinc/01/76/10/607017610.db2.gz RWAPPHRLPLWTOA-UHFFFAOYSA-N -1 3 362.393 2.843 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822225200 607017612 /nfs/dbraw/zinc/01/76/12/607017612.db2.gz RWAPPHRLPLWTOA-UHFFFAOYSA-N -1 3 362.393 2.843 20 30 FFEDHM N#Cc1ccc(F)cc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822830240 607082868 /nfs/dbraw/zinc/08/28/68/607082868.db2.gz YPKWRRJSUOKTMP-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(F)cc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822830240 607082870 /nfs/dbraw/zinc/08/28/70/607082870.db2.gz YPKWRRJSUOKTMP-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM C(=NNc1ccnc2ccccc21)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819718441 607147964 /nfs/dbraw/zinc/14/79/64/607147964.db2.gz HFNOCXAZTLPUIU-UHFFFAOYSA-N -1 3 354.377 2.764 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820549579 607191677 /nfs/dbraw/zinc/19/16/77/607191677.db2.gz PCYBPVRMKWTQOP-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820549579 607191678 /nfs/dbraw/zinc/19/16/78/607191678.db2.gz PCYBPVRMKWTQOP-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825399082 607833200 /nfs/dbraw/zinc/83/32/00/607833200.db2.gz ILTZVAJUOQXZQS-MRVPVSSYSA-N -1 3 353.213 2.795 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825399082 607833201 /nfs/dbraw/zinc/83/32/01/607833201.db2.gz ILTZVAJUOQXZQS-MRVPVSSYSA-N -1 3 353.213 2.795 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000824034048 607833588 /nfs/dbraw/zinc/83/35/88/607833588.db2.gz GJFLOOPNCPEWBM-GFCCVEGCSA-N -1 3 369.429 2.810 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000824034048 607833589 /nfs/dbraw/zinc/83/35/89/607833589.db2.gz GJFLOOPNCPEWBM-GFCCVEGCSA-N -1 3 369.429 2.810 20 30 FFEDHM Cc1cccc(-c2n[nH]cc2C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826295356 607889701 /nfs/dbraw/zinc/88/97/01/607889701.db2.gz DFXUEGKFWANJRH-UHFFFAOYSA-N -1 3 358.409 2.689 20 30 FFEDHM Cc1cccc(-c2n[nH]cc2C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826295356 607889702 /nfs/dbraw/zinc/88/97/02/607889702.db2.gz DFXUEGKFWANJRH-UHFFFAOYSA-N -1 3 358.409 2.689 20 30 FFEDHM C=CCOc1ccc(OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1 ZINC000823931627 607889977 /nfs/dbraw/zinc/88/99/77/607889977.db2.gz BUTVNZCLISFQFW-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1ccc(OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000823931627 607889978 /nfs/dbraw/zinc/88/99/78/607889978.db2.gz BUTVNZCLISFQFW-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000824385188 607891625 /nfs/dbraw/zinc/89/16/25/607891625.db2.gz NTRXUPAAQYQXGQ-GFCCVEGCSA-N -1 3 367.438 2.701 20 30 FFEDHM C#CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000823838317 607939812 /nfs/dbraw/zinc/93/98/12/607939812.db2.gz OATHLHXUYRHUGP-QGZVFWFLSA-N -1 3 364.384 2.570 20 30 FFEDHM C#CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000823838317 607939813 /nfs/dbraw/zinc/93/98/13/607939813.db2.gz OATHLHXUYRHUGP-QGZVFWFLSA-N -1 3 364.384 2.570 20 30 FFEDHM C=CCCOCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823899098 607944514 /nfs/dbraw/zinc/94/45/14/607944514.db2.gz LIDWYWGLVCXHTG-UHFFFAOYSA-N -1 3 363.421 2.856 20 30 FFEDHM C=CCCOCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823899098 607944515 /nfs/dbraw/zinc/94/45/15/607944515.db2.gz LIDWYWGLVCXHTG-UHFFFAOYSA-N -1 3 363.421 2.856 20 30 FFEDHM CC(=NNc1cncc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823962111 607965002 /nfs/dbraw/zinc/96/50/02/607965002.db2.gz FJXCJLCTPKQSOO-UHFFFAOYSA-N -1 3 358.203 2.860 20 30 FFEDHM CC(=NNc1cncc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823962111 607965003 /nfs/dbraw/zinc/96/50/03/607965003.db2.gz FJXCJLCTPKQSOO-UHFFFAOYSA-N -1 3 358.203 2.860 20 30 FFEDHM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962603 608094642 /nfs/dbraw/zinc/09/46/42/608094642.db2.gz MGWUCRSBHTZULK-UHFFFAOYSA-N -1 3 352.383 2.814 20 30 FFEDHM COc1ccc(C#N)cc1COc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000826186634 608151142 /nfs/dbraw/zinc/15/11/42/608151142.db2.gz DEHGGAOAMXCJDN-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM COc1ccc(C#N)cc1COc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000826186634 608151144 /nfs/dbraw/zinc/15/11/44/608151144.db2.gz DEHGGAOAMXCJDN-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1CON=C1CCOc2ccccc21 ZINC000826173076 608323729 /nfs/dbraw/zinc/32/37/29/608323729.db2.gz MDHCAEDAUYFCOC-UHFFFAOYSA-N -1 3 351.366 2.579 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1CON=C1CCOc2ccccc21 ZINC000826173076 608323731 /nfs/dbraw/zinc/32/37/31/608323731.db2.gz MDHCAEDAUYFCOC-UHFFFAOYSA-N -1 3 351.366 2.579 20 30 FFEDHM c1cc2c(cc1CCCN=Nc1ccc(-c3nnn[n-]3)cc1)OCCO2 ZINC000823868367 608387830 /nfs/dbraw/zinc/38/78/30/608387830.db2.gz YHGGPUGWPLUMSR-UHFFFAOYSA-N -1 3 350.382 2.668 20 30 FFEDHM c1cc2c(cc1CCCN=Nc1ccc(-c3nn[n-]n3)cc1)OCCO2 ZINC000823868367 608387833 /nfs/dbraw/zinc/38/78/33/608387833.db2.gz YHGGPUGWPLUMSR-UHFFFAOYSA-N -1 3 350.382 2.668 20 30 FFEDHM N#Cc1ccc(CCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826384814 608440096 /nfs/dbraw/zinc/44/00/96/608440096.db2.gz KRQILLHFUXBRCE-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1ccc(CCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826384814 608440098 /nfs/dbraw/zinc/44/00/98/608440098.db2.gz KRQILLHFUXBRCE-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000823932437 608440529 /nfs/dbraw/zinc/44/05/29/608440529.db2.gz YRVMPGAUQBKHFT-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000823932437 608440531 /nfs/dbraw/zinc/44/05/31/608440531.db2.gz YRVMPGAUQBKHFT-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824392440 608750809 /nfs/dbraw/zinc/75/08/09/608750809.db2.gz OAYVFNHCWWKVQP-LLVKDONJSA-N -1 3 359.434 2.958 20 30 FFEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824392440 608750810 /nfs/dbraw/zinc/75/08/10/608750810.db2.gz OAYVFNHCWWKVQP-LLVKDONJSA-N -1 3 359.434 2.958 20 30 FFEDHM CC(=NNC(=S)NC1CCCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953699 609157165 /nfs/dbraw/zinc/15/71/65/609157165.db2.gz MLHYPWJTHIBMQN-UHFFFAOYSA-N -1 3 361.450 2.527 20 30 FFEDHM CC(=NNC(=S)NC1CCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953699 609157166 /nfs/dbraw/zinc/15/71/66/609157166.db2.gz MLHYPWJTHIBMQN-UHFFFAOYSA-N -1 3 361.450 2.527 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824034710 609159381 /nfs/dbraw/zinc/15/93/81/609159381.db2.gz NLNSJCCTEAJDSR-JTQLQIEISA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824034710 609159382 /nfs/dbraw/zinc/15/93/82/609159382.db2.gz NLNSJCCTEAJDSR-JTQLQIEISA-N -1 3 367.344 2.941 20 30 FFEDHM Cc1nnc(SCCCOc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC000826336884 609305636 /nfs/dbraw/zinc/30/56/36/609305636.db2.gz SOSCBBRYDRFLKF-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM Cc1nnc(SCCCOc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C ZINC000826336884 609305637 /nfs/dbraw/zinc/30/56/37/609305637.db2.gz SOSCBBRYDRFLKF-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM CC(C)(C#N)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000824059257 609357581 /nfs/dbraw/zinc/35/75/81/609357581.db2.gz QXRCAVPRPJWINX-UHFFFAOYSA-N -1 3 367.365 2.745 20 30 FFEDHM CC(C)(C#N)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000824059257 609357584 /nfs/dbraw/zinc/35/75/84/609357584.db2.gz QXRCAVPRPJWINX-UHFFFAOYSA-N -1 3 367.365 2.745 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(CC(C)C)c1 ZINC000823914115 609377895 /nfs/dbraw/zinc/37/78/95/609377895.db2.gz AMTAHJVUBGFLGM-UHFFFAOYSA-N -1 3 365.441 2.548 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(CC(C)C)c1 ZINC000823914115 609377896 /nfs/dbraw/zinc/37/78/96/609377896.db2.gz AMTAHJVUBGFLGM-UHFFFAOYSA-N -1 3 365.441 2.548 20 30 FFEDHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCO1 ZINC000824216151 609386369 /nfs/dbraw/zinc/38/63/69/609386369.db2.gz OJQYXYQPCWQEJS-BLLLJJGKSA-N -1 3 354.414 2.518 20 30 FFEDHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCO1 ZINC000824216151 609386371 /nfs/dbraw/zinc/38/63/71/609386371.db2.gz OJQYXYQPCWQEJS-BLLLJJGKSA-N -1 3 354.414 2.518 20 30 FFEDHM COc1cccc(OC)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826217511 609469452 /nfs/dbraw/zinc/46/94/52/609469452.db2.gz PTFGYERMLDTQIQ-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM COc1cccc(OC)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826217511 609469453 /nfs/dbraw/zinc/46/94/53/609469453.db2.gz PTFGYERMLDTQIQ-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM Clc1cc(NN=Cc2ccc(-n3cncn3)cc2)ccc1-c1nnn[n-]1 ZINC000826351358 609471439 /nfs/dbraw/zinc/47/14/39/609471439.db2.gz JSNMUHIODOGFSJ-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Clc1cc(NN=Cc2ccc(-n3cncn3)cc2)ccc1-c1nn[n-]n1 ZINC000826351358 609471441 /nfs/dbraw/zinc/47/14/41/609471441.db2.gz JSNMUHIODOGFSJ-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM C#CCCCCCC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000823842065 609511598 /nfs/dbraw/zinc/51/15/98/609511598.db2.gz XTHBKRKCNIBXSA-UHFFFAOYSA-N -1 3 357.483 2.800 20 30 FFEDHM C#CCCCCCC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000823842065 609511599 /nfs/dbraw/zinc/51/15/99/609511599.db2.gz XTHBKRKCNIBXSA-UHFFFAOYSA-N -1 3 357.483 2.800 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(C)(C#N)CC1 ZINC000826268012 609563621 /nfs/dbraw/zinc/56/36/21/609563621.db2.gz GLJXTYOANKIJKN-UHFFFAOYSA-N -1 3 351.389 2.993 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(C)(C#N)CC1 ZINC000826268012 609563623 /nfs/dbraw/zinc/56/36/23/609563623.db2.gz GLJXTYOANKIJKN-UHFFFAOYSA-N -1 3 351.389 2.993 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1-c1nnn[n-]1 ZINC000826385673 609585997 /nfs/dbraw/zinc/58/59/97/609585997.db2.gz WKRRZQOIZNTYDA-INIZCTEOSA-N -1 3 374.404 2.885 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1-c1nn[n-]n1 ZINC000826385673 609585999 /nfs/dbraw/zinc/58/59/99/609585999.db2.gz WKRRZQOIZNTYDA-INIZCTEOSA-N -1 3 374.404 2.885 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(F)c2)ccc1F ZINC000152681214 728763751 /nfs/dbraw/zinc/76/37/51/728763751.db2.gz QGNUTDXEFYITIO-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2F)ccc1F ZINC000029009168 727889191 /nfs/dbraw/zinc/88/91/91/727889191.db2.gz ZIUQOCCJAWWSSM-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM C=CC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CC1 ZINC000110366989 728531431 /nfs/dbraw/zinc/53/14/31/728531431.db2.gz KQMOUZDBKUXTLB-UHFFFAOYSA-N -1 3 354.447 2.551 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc2nncn2c1 ZINC000113653223 728556126 /nfs/dbraw/zinc/55/61/26/728556126.db2.gz KKIRXPIFCIFDQG-NSHDSACASA-N -1 3 374.187 2.997 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC)CC2)ccc1F ZINC000117153399 728576487 /nfs/dbraw/zinc/57/64/87/728576487.db2.gz SMKGSZCCQHYBBF-AWEZNQCLSA-N -1 3 368.474 2.942 20 30 FFEDHM CCNS(=O)(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000121545674 728630407 /nfs/dbraw/zinc/63/04/07/728630407.db2.gz TVTZRWYBCMNBTJ-WOJGMQOQSA-N -1 3 352.843 2.963 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(C)(C)CC#N)ccc1F ZINC000184795033 729333304 /nfs/dbraw/zinc/33/33/04/729333304.db2.gz MHBKRUKIPBMZBI-UHFFFAOYSA-N -1 3 370.446 2.999 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640297264 730140446 /nfs/dbraw/zinc/14/04/46/730140446.db2.gz BJLIDEFRLVQHRD-KOLCDFICSA-N -1 3 366.771 2.623 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](CC)CC[C@H]2C)ccc1F ZINC000855932676 730293171 /nfs/dbraw/zinc/29/31/71/730293171.db2.gz YLGFFBAGBXQTSG-ZIAGYGMSSA-N -1 3 368.474 2.941 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cccc([O-])c3Br)CC2)cn1 ZINC000862422616 730700280 /nfs/dbraw/zinc/70/02/80/730700280.db2.gz CYUSXOLQAXRIQH-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C)(C(=O)[O-])CC1 ZINC000647373391 730739206 /nfs/dbraw/zinc/73/92/06/730739206.db2.gz HDETVCUJUMOKKM-AWEZNQCLSA-N -1 3 350.484 2.838 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC3(CC3)CC2)ccc1F ZINC000863642162 730798310 /nfs/dbraw/zinc/79/83/10/730798310.db2.gz TYTOBKZRXWUEFH-UHFFFAOYSA-N -1 3 366.458 2.696 20 30 FFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867269940 731163568 /nfs/dbraw/zinc/16/35/68/731163568.db2.gz JQUGQEUVACIYRH-UHFFFAOYSA-N -1 3 358.876 2.953 20 30 FFEDHM C[C@H](C#N)OCCN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879468351 732706930 /nfs/dbraw/zinc/70/69/30/732706930.db2.gz RYJGNHXNFFGBCS-OLZOCXBDSA-N -1 3 355.360 2.587 20 30 FFEDHM C[C@@H](Oc1ccccc1NC(=O)N[C@H]1CCCN([O-])C1=O)C(F)(F)F ZINC000879588457 732729667 /nfs/dbraw/zinc/72/96/67/732729667.db2.gz PMEUKFMNTKIPGP-KOLCDFICSA-N -1 3 361.320 2.518 20 30 FFEDHM C=CCC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000883215423 733351740 /nfs/dbraw/zinc/35/17/40/733351740.db2.gz YKFOSYKLYSXGFU-YOEHRIQHSA-N -1 3 354.472 2.992 20 30 FFEDHM C=C(Cl)COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728727181 734541742 /nfs/dbraw/zinc/54/17/42/734541742.db2.gz MPXJRYSCPBVWAF-UHFFFAOYSA-N -1 3 358.778 2.864 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCc2cccs2)ccc1F ZINC000733436450 734820784 /nfs/dbraw/zinc/82/07/84/734820784.db2.gz AAFXQHQZEBCDLZ-UHFFFAOYSA-N -1 3 369.439 2.751 20 30 FFEDHM O=C1[C@H](NCc2cc(OC(F)F)ccc2Br)CCCN1[O-] ZINC000895159362 734969986 /nfs/dbraw/zinc/96/99/86/734969986.db2.gz UJDUCQJEGKVRQS-LLVKDONJSA-N -1 3 365.174 2.520 20 30 FFEDHM C#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000742788466 735256292 /nfs/dbraw/zinc/25/62/92/735256292.db2.gz MQTPDVPXLBPGSA-UHFFFAOYSA-N -1 3 360.410 2.770 20 30 FFEDHM N#CC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000901771317 735836724 /nfs/dbraw/zinc/83/67/24/735836724.db2.gz CQZRLMQTZGCRCX-VIFPVBQESA-N -1 3 362.251 2.708 20 30 FFEDHM C#CCOc1cccc(Cl)c1CNCCc1nc(C(=O)[O-])cs1 ZINC000901857421 735853259 /nfs/dbraw/zinc/85/32/59/735853259.db2.gz QULQDBJRKIPKMT-UHFFFAOYSA-N -1 3 350.827 2.839 20 30 FFEDHM O=C(C[C@H]1CCCS1(=O)=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178379 736230603 /nfs/dbraw/zinc/23/06/03/736230603.db2.gz HSECPDJQRVICAQ-GFCCVEGCSA-N -1 3 352.239 2.679 20 30 FFEDHM CCCCN([O-])C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000904210012 736233988 /nfs/dbraw/zinc/23/39/88/736233988.db2.gz DCRPBJIWUIOCDV-CYBMUJFWSA-N -1 3 353.806 2.563 20 30 FFEDHM CCCCN([O-])C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N ZINC000904216169 736234192 /nfs/dbraw/zinc/23/41/92/736234192.db2.gz YPWFEPRQDZVANR-TXKKKEFDSA-N -1 3 351.447 2.791 20 30 FFEDHM COC(=O)c1ccc(NN=Cc2cccc(Br)c2[O-])nc1 ZINC000758127240 736454641 /nfs/dbraw/zinc/45/46/41/736454641.db2.gz RLZGNQHNJGTSKT-UHFFFAOYSA-N -1 3 350.172 2.782 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)c2cc(F)cc(F)c2)CCCCC1 ZINC000907440836 736627950 /nfs/dbraw/zinc/62/79/50/736627950.db2.gz MLMKTUJARDEAEA-UHFFFAOYSA-N -1 3 356.394 2.541 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000762554622 736836840 /nfs/dbraw/zinc/83/68/40/736836840.db2.gz KLUJHZAXXFNONT-VIFPVBQESA-N -1 3 365.224 2.567 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H](n1cccn1)C(F)(F)F ZINC000912979069 737365392 /nfs/dbraw/zinc/36/53/92/737365392.db2.gz VONVPEGNAYCDBR-LBPRGKRZSA-N -1 3 358.270 2.766 20 30 FFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2csc(C#N)c2)CCCC1 ZINC000914129483 737511996 /nfs/dbraw/zinc/51/19/96/737511996.db2.gz UIFPZWCHUGGBTD-UHFFFAOYSA-N -1 3 370.496 2.694 20 30 FFEDHM C#C[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000770364433 737619408 /nfs/dbraw/zinc/61/94/08/737619408.db2.gz MGITWGSVEPWLBU-VIFPVBQESA-N -1 3 371.281 2.873 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000770948744 737678564 /nfs/dbraw/zinc/67/85/64/737678564.db2.gz GOUFNUZQCIFQLA-LBPRGKRZSA-N -1 3 362.382 2.943 20 30 FFEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)n[nH]1 ZINC000916940859 737733043 /nfs/dbraw/zinc/73/30/43/737733043.db2.gz ZUHWIXKAMJFKQK-LBPRGKRZSA-N -1 3 360.801 2.985 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000773200970 737880101 /nfs/dbraw/zinc/88/01/01/737880101.db2.gz NDRIAWSKSIZRRA-AWEZNQCLSA-N -1 3 367.471 2.539 20 30 FFEDHM N#Cc1cc(Cl)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Cl)c1 ZINC000775909102 738140477 /nfs/dbraw/zinc/14/04/77/738140477.db2.gz PQWRAWSXRNYTTC-UHFFFAOYSA-N -1 3 364.114 2.932 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000798472054 740335592 /nfs/dbraw/zinc/33/55/92/740335592.db2.gz FNIWYRKYUDAVAG-NSHDSACASA-N -1 3 350.318 2.550 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC2(CC#N)CCC2)ccc1F ZINC000810859251 741456324 /nfs/dbraw/zinc/45/63/24/741456324.db2.gz GBXMXWDGHFERIE-UHFFFAOYSA-N -1 3 368.430 2.896 20 30 FFEDHM CC(=O)N(c1nc(COC(=O)c2cc([O-])cc(C#N)c2)cs1)C1CC1 ZINC000811188469 741492120 /nfs/dbraw/zinc/49/21/20/741492120.db2.gz LFBYCCNMIRIUPW-UHFFFAOYSA-N -1 3 357.391 2.593 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000816753821 742058743 /nfs/dbraw/zinc/05/87/43/742058743.db2.gz PWOUWATUSPTNTO-ZETCQYMHSA-N -1 3 357.844 2.635 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)ccc1F ZINC000817217999 742107248 /nfs/dbraw/zinc/10/72/48/742107248.db2.gz NGTLNULKPZHNJP-INIZCTEOSA-N -1 3 368.474 2.797 20 30 FFEDHM Cc1cc([O-])c(CN2CCN(c3nccnc3C#N)C[C@@H]2C)cc1Cl ZINC000824927958 743180390 /nfs/dbraw/zinc/18/03/90/743180390.db2.gz SAJUUKOHAORWNH-ZDUSSCGKSA-N -1 3 357.845 2.726 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1ccc(I)cc1 ZINC000846541489 748499289 /nfs/dbraw/zinc/49/92/89/748499289.db2.gz HMCLZPIOJWRQTJ-SNVBAGLBSA-N -1 3 373.190 2.876 20 30 FFEDHM C=CC(C)(C)CCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000851299261 749558974 /nfs/dbraw/zinc/55/89/74/749558974.db2.gz DZKAGIKJWLHSFW-ZDUSSCGKSA-N -1 3 364.467 2.649 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854648204 750344667 /nfs/dbraw/zinc/34/46/67/750344667.db2.gz AHRIPFQRXFPIPZ-IAGOWNOFSA-N -1 3 358.825 2.968 20 30 FFEDHM CCN(CC)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000046439719 845116749 /nfs/dbraw/zinc/11/67/49/845116749.db2.gz SMLFRJMNMJEYLK-MRXNPFEDSA-N -1 3 357.435 2.602 20 30 FFEDHM C#CCCOc1ccc(C(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)cc1 ZINC001573283666 946722335 /nfs/dbraw/zinc/72/23/35/946722335.db2.gz WPLBNWDMIBOPPO-UHFFFAOYSA-N -1 3 373.416 2.862 20 30 FFEDHM C#CCCOc1ccc(C(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)cc1 ZINC001573283666 946722341 /nfs/dbraw/zinc/72/23/41/946722341.db2.gz WPLBNWDMIBOPPO-UHFFFAOYSA-N -1 3 373.416 2.862 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573293529 946960508 /nfs/dbraw/zinc/96/05/08/946960508.db2.gz ZGTLTWBFOIIBQK-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573293529 946960516 /nfs/dbraw/zinc/96/05/16/946960516.db2.gz ZGTLTWBFOIIBQK-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)C1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573300904 947124980 /nfs/dbraw/zinc/12/49/80/947124980.db2.gz PGQRNATUTGIMIU-UHFFFAOYSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)C1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573300904 947124983 /nfs/dbraw/zinc/12/49/83/947124983.db2.gz PGQRNATUTGIMIU-UHFFFAOYSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573305677 947159224 /nfs/dbraw/zinc/15/92/24/947159224.db2.gz FPCRYPJAKUVXIU-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573305677 947159227 /nfs/dbraw/zinc/15/92/27/947159227.db2.gz FPCRYPJAKUVXIU-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000825560565 947219210 /nfs/dbraw/zinc/21/92/10/947219210.db2.gz RWAKEUXPOXALET-DAXSKMNVSA-N -1 3 356.313 2.672 20 30 FFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000825560565 947219225 /nfs/dbraw/zinc/21/92/25/947219225.db2.gz RWAKEUXPOXALET-DAXSKMNVSA-N -1 3 356.313 2.672 20 30 FFEDHM C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573327215 947382256 /nfs/dbraw/zinc/38/22/56/947382256.db2.gz ADLUYACVAFUPQN-UONOGXRCSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573327215 947382269 /nfs/dbraw/zinc/38/22/69/947382269.db2.gz ADLUYACVAFUPQN-UONOGXRCSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573334525 947457891 /nfs/dbraw/zinc/45/78/91/947457891.db2.gz NLCPANRKSAGEME-HUUCEWRRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573334525 947457898 /nfs/dbraw/zinc/45/78/98/947457898.db2.gz NLCPANRKSAGEME-HUUCEWRRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573335428 947476018 /nfs/dbraw/zinc/47/60/18/947476018.db2.gz ZAEUMXSVXIGVTR-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573335428 947476044 /nfs/dbraw/zinc/47/60/44/947476044.db2.gz ZAEUMXSVXIGVTR-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826163376 947511254 /nfs/dbraw/zinc/51/12/54/947511254.db2.gz RMTMIINACJAEMO-CLFYSBASSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826163376 947511265 /nfs/dbraw/zinc/51/12/65/947511265.db2.gz RMTMIINACJAEMO-CLFYSBASSA-N -1 3 368.368 2.927 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2ncccc2o1 ZINC001573342261 947539691 /nfs/dbraw/zinc/53/96/91/947539691.db2.gz VYTSJACGDTVIPX-UHFFFAOYSA-N -1 3 360.377 2.836 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2ncccc2o1 ZINC001573342261 947539698 /nfs/dbraw/zinc/53/96/98/947539698.db2.gz VYTSJACGDTVIPX-UHFFFAOYSA-N -1 3 360.377 2.836 20 30 FFEDHM CC(C)(C(=O)Oc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001573787849 949188137 /nfs/dbraw/zinc/18/81/37/949188137.db2.gz CCPNFEQHSXQRDP-UHFFFAOYSA-N -1 3 351.341 2.761 20 30 FFEDHM CC(C)(C(=O)Oc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001573787849 949188157 /nfs/dbraw/zinc/18/81/57/949188157.db2.gz CCPNFEQHSXQRDP-UHFFFAOYSA-N -1 3 351.341 2.761 20 30 FFEDHM N#CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001075417336 963737681 /nfs/dbraw/zinc/73/76/81/963737681.db2.gz FLNROCYCJIIBGA-SJLPKXTDSA-N -1 3 367.424 2.890 20 30 FFEDHM COc1cccc([C@@H](C#N)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1OC ZINC000729429574 964954995 /nfs/dbraw/zinc/95/49/95/964954995.db2.gz NEEREHWPPLUNDL-MRXNPFEDSA-N -1 3 363.373 2.540 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2c1CCCC2 ZINC000125612496 1014085772 /nfs/dbraw/zinc/08/57/72/1014085772.db2.gz RXVDNEIZTWVQCO-ZDUSSCGKSA-N -1 3 352.394 2.579 20 30 FFEDHM COC(=O)c1cc(C)ccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000729107816 978180220 /nfs/dbraw/zinc/18/02/20/978180220.db2.gz HJKGYCKCDTYJFS-UHFFFAOYSA-N -1 3 368.389 2.909 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000985751582 979411256 /nfs/dbraw/zinc/41/12/56/979411256.db2.gz WAPSHCXRJLGYPT-XFQAVAEZSA-N -1 3 356.466 2.915 20 30 FFEDHM COc1ccc(CN2CC[C@H](NC(=O)c3ccccc3[O-])[C@H]2C)cc1C#N ZINC001088471620 979755987 /nfs/dbraw/zinc/75/59/87/979755987.db2.gz WETQPNYCYQFJSZ-KDOFPFPSSA-N -1 3 365.433 2.665 20 30 FFEDHM CCOC(Cc1c(Nc2ccc(OC)cc2C#N)nc[n-]c1=O)OCC ZINC001212780880 1014616598 /nfs/dbraw/zinc/61/65/98/1014616598.db2.gz MXWJEYZRMHQFEO-UHFFFAOYSA-N -1 3 358.398 2.748 20 30 FFEDHM C=C(C)COc1cc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)ccc1OC ZINC000877776912 1014723515 /nfs/dbraw/zinc/72/35/15/1014723515.db2.gz GOJLARDTIQEDSS-UHFFFAOYSA-N -1 3 372.387 2.760 20 30 FFEDHM CC(C)c1cc(=O)[n-]c(N2CC[C@@H](NCc3cc(C#N)cnc3Cl)C2)n1 ZINC000897703321 982482045 /nfs/dbraw/zinc/48/20/45/982482045.db2.gz AKGSDNGBRYHSQV-CQSZACIVSA-N -1 3 372.860 2.594 20 30 FFEDHM CC(=O)CCc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000060951159 985090796 /nfs/dbraw/zinc/09/07/96/985090796.db2.gz FNQWDMMYVNBHJY-UHFFFAOYSA-N -1 3 366.417 2.923 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNCc2cc(C(=O)[O-])n(C)c2)ccc1OC ZINC001594724763 987222769 /nfs/dbraw/zinc/22/27/69/987222769.db2.gz CKXLSTBABRWAME-HNNXBMFYSA-N -1 3 357.410 2.703 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000193344282 988194274 /nfs/dbraw/zinc/19/42/74/988194274.db2.gz QDDJJYWAXVYUQM-UHFFFAOYSA-N -1 3 368.286 2.958 20 30 FFEDHM N#Cc1ccc(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000153711498 988898298 /nfs/dbraw/zinc/89/82/98/988898298.db2.gz AXRQBQJAIINZHF-UHFFFAOYSA-N -1 3 359.385 2.940 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000127685934 1015500049 /nfs/dbraw/zinc/50/00/49/1015500049.db2.gz NHZDWJJIUPOHCH-LBPRGKRZSA-N -1 3 365.780 2.882 20 30 FFEDHM COc1ccccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916320975 989777105 /nfs/dbraw/zinc/77/71/05/989777105.db2.gz PYWHIYXSMGPNSE-MRXNPFEDSA-N -1 3 368.418 2.970 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1ccccc1 ZINC000918487102 990407388 /nfs/dbraw/zinc/40/73/88/990407388.db2.gz JVHHPLVZAGPWAK-KRWDZBQOSA-N -1 3 359.389 2.845 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnc3sccn23)c(C)c1[O-] ZINC001152223118 1032130127 /nfs/dbraw/zinc/13/01/27/1032130127.db2.gz TZMNHSCKZJNTCW-UHFFFAOYSA-N -1 3 370.390 2.711 20 30 FFEDHM C=CCc1cc(C/N=C\c2c([O-])c(C)ncc2CO)cc(OC)c1OC ZINC000747613047 994840171 /nfs/dbraw/zinc/84/01/71/994840171.db2.gz PXQGGMPCVDUYJN-NHDPSOOVSA-N -1 3 356.422 2.953 20 30 FFEDHM COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187006 995051537 /nfs/dbraw/zinc/05/15/37/995051537.db2.gz GUTNENFYEYJKEJ-OLZOCXBDSA-N -1 3 368.389 2.695 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2cn(-c3ccc(F)c(Cl)c3)nn2)c1 ZINC000811187472 995053095 /nfs/dbraw/zinc/05/30/95/995053095.db2.gz HKCHESDXJCCRKZ-UHFFFAOYSA-N -1 3 372.743 2.994 20 30 FFEDHM C=CCOCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000679475140 1016073443 /nfs/dbraw/zinc/07/34/43/1016073443.db2.gz RTQCNIHTNZHEBB-UHFFFAOYSA-N -1 3 358.872 2.944 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(O)cc2[O-])ccc1OC ZINC000733229019 998923961 /nfs/dbraw/zinc/92/39/61/998923961.db2.gz ULJNPSDTZGHKGL-CQSZACIVSA-N -1 3 356.378 2.717 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)nc2)cc1 ZINC000734080502 999197240 /nfs/dbraw/zinc/19/72/40/999197240.db2.gz UISQZJHITHSMGR-LRDDRELGSA-N -1 3 352.394 2.960 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC001169611683 1000065171 /nfs/dbraw/zinc/06/51/71/1000065171.db2.gz NVUXTXNGGHGUTI-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC001169611683 1000065173 /nfs/dbraw/zinc/06/51/73/1000065173.db2.gz NVUXTXNGGHGUTI-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109353827 1000299169 /nfs/dbraw/zinc/29/91/69/1000299169.db2.gz ZCVIWTDQGWCQRI-IKGGRYGDSA-N -1 3 356.470 2.637 20 30 FFEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(CN2CCCCC2)cc1 ZINC000770872085 1000933351 /nfs/dbraw/zinc/93/33/51/1000933351.db2.gz RBKZTNQGCRQPSV-KRWDZBQOSA-N -1 3 350.422 2.611 20 30 FFEDHM CCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000771262747 1001065096 /nfs/dbraw/zinc/06/50/96/1001065096.db2.gz WGQAHJFZYJJHID-NSHDSACASA-N -1 3 374.828 2.914 20 30 FFEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276191199 1016500244 /nfs/dbraw/zinc/50/02/44/1016500244.db2.gz FJFNXAVXILGBTI-LJQANCHMSA-N -1 3 363.408 2.931 20 30 FFEDHM C#Cc1cccc(NC(=O)CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000786798991 1001629496 /nfs/dbraw/zinc/62/94/96/1001629496.db2.gz HBTLCKGPPFRYPU-UHFFFAOYSA-N -1 3 354.381 2.590 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)nc2cc(C(F)(F)F)ccc21 ZINC001171363981 1001732228 /nfs/dbraw/zinc/73/22/28/1001732228.db2.gz RNJSCCMRTNAYLF-WKEGUHRASA-N -1 3 360.723 2.950 20 30 FFEDHM C[C@@H](C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1)c1ccc(C#N)cc1 ZINC001182788161 1002055721 /nfs/dbraw/zinc/05/57/21/1002055721.db2.gz QHCLCAQIFWVZRI-CYBMUJFWSA-N -1 3 359.389 2.844 20 30 FFEDHM CCCCOc1ccc(C(=O)NCCNc2ncccc2C#N)c([O-])c1 ZINC000789744612 1002187049 /nfs/dbraw/zinc/18/70/49/1002187049.db2.gz WRWOIQRIJIHBLI-UHFFFAOYSA-N -1 3 354.410 2.680 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)ccc1N1CCCC1 ZINC001185991680 1003140899 /nfs/dbraw/zinc/14/08/99/1003140899.db2.gz WNCSDIMJRZFKPJ-UHFFFAOYSA-N -1 3 367.434 2.836 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000793123265 1003277591 /nfs/dbraw/zinc/27/75/91/1003277591.db2.gz GUTMGGNXAVWDHP-INIZCTEOSA-N -1 3 374.400 2.970 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC001186645095 1003380518 /nfs/dbraw/zinc/38/05/18/1003380518.db2.gz ZZOLYLISPSDTNP-UHFFFAOYSA-N -1 3 363.508 2.739 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](C(=O)[N-]OCc3ccc(F)cc3)C2)c(F)c1 ZINC000804557421 1003725142 /nfs/dbraw/zinc/72/51/42/1003725142.db2.gz FKSSZJCFBUUTOO-HNNXBMFYSA-N -1 3 357.360 2.911 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccn(C(C)(C)C)n2)c(C)c1[O-] ZINC001196322524 1003742052 /nfs/dbraw/zinc/74/20/52/1003742052.db2.gz MATPVSLYIABMLX-UHFFFAOYSA-N -1 3 370.409 2.953 20 30 FFEDHM Cc1c(F)cccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196707968 1003921501 /nfs/dbraw/zinc/92/15/01/1003921501.db2.gz XIWLSLUZSAMTRJ-OAHLLOKOSA-N -1 3 368.817 2.671 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)ccc1C#N ZINC001196884963 1003989110 /nfs/dbraw/zinc/98/91/10/1003989110.db2.gz DCLJKOVVXWUSSQ-UHFFFAOYSA-N -1 3 374.418 2.771 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c(C)cc(=O)oc2C)c(C)c1[O-] ZINC001192520899 1004186099 /nfs/dbraw/zinc/18/60/99/1004186099.db2.gz FDEPOYUDUMTZMH-UHFFFAOYSA-N -1 3 370.361 2.571 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)cc1N1CCCC1 ZINC001193157146 1004393710 /nfs/dbraw/zinc/39/37/10/1004393710.db2.gz BMQOAKYBNUCVIV-SNVBAGLBSA-N -1 3 358.261 2.703 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccc([O-])c(C#N)c1)[C@H]2C ZINC001193505773 1004504980 /nfs/dbraw/zinc/50/49/80/1004504980.db2.gz IFDXTQCLJTVOPC-AWEZNQCLSA-N -1 3 367.453 2.518 20 30 FFEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(CO)ccc2Cl)c1 ZINC001193688292 1004551805 /nfs/dbraw/zinc/55/18/05/1004551805.db2.gz ZBZZKCGZZVPWFX-UHFFFAOYSA-N -1 3 352.799 2.513 20 30 FFEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(CO)cc2Cl)c1 ZINC001193689403 1004553084 /nfs/dbraw/zinc/55/30/84/1004553084.db2.gz QWZPIVODRFBZQQ-UHFFFAOYSA-N -1 3 352.799 2.513 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC001195499494 1004978836 /nfs/dbraw/zinc/97/88/36/1004978836.db2.gz WFLFRSPYDLYVJS-JGZJWPJOSA-N -1 3 361.236 2.949 20 30 FFEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C2CCC2)cc1 ZINC001195622261 1005001132 /nfs/dbraw/zinc/00/11/32/1005001132.db2.gz VDKSZLKIFSKMIY-SFHVURJKSA-N -1 3 357.435 2.782 20 30 FFEDHM CCN1CCN(Cc2ccc(NC(=O)c3ccc(C#N)cc3[O-])cc2)CC1 ZINC001195751340 1005039724 /nfs/dbraw/zinc/03/97/24/1005039724.db2.gz SLEIWJSCYGQBGP-UHFFFAOYSA-N -1 3 364.449 2.654 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2Br)CC1 ZINC001201790894 1005275102 /nfs/dbraw/zinc/27/51/02/1005275102.db2.gz FIJNATANVXLUDC-AOOOYVTPSA-N -1 3 361.236 2.949 20 30 FFEDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1c(O)ccc2ccccc21 ZINC000748255507 1016983277 /nfs/dbraw/zinc/98/32/77/1016983277.db2.gz XCEFPBSLTKABKY-UHFFFAOYSA-N -1 3 371.374 2.766 20 30 FFEDHM C=C1CC(C)(C(=O)NCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)C1 ZINC001490457693 1005731511 /nfs/dbraw/zinc/73/15/11/1005731511.db2.gz RVKWITZRYNBDRB-HZPDHXFCSA-N -1 3 356.466 2.963 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)c1 ZINC000109425021 1005826988 /nfs/dbraw/zinc/82/69/88/1005826988.db2.gz RHRWMWQJTAJUQG-UHFFFAOYSA-N -1 3 373.478 2.778 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-]c1nc(C#N)c(C#N)nc1Cl ZINC001187994757 1006357087 /nfs/dbraw/zinc/35/70/87/1006357087.db2.gz RGVAOCOCJYSXAC-UHFFFAOYSA-N -1 3 355.851 2.976 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC001189500737 1007123162 /nfs/dbraw/zinc/12/31/62/1007123162.db2.gz GVNBGDGHCFRYFY-RCOVLWMOSA-N -1 3 351.712 2.716 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000855170179 1007151960 /nfs/dbraw/zinc/15/19/60/1007151960.db2.gz MACXELPAFFMZRZ-DOMZBBRYSA-N -1 3 354.447 2.599 20 30 FFEDHM CC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)cc1 ZINC000816756665 1007192712 /nfs/dbraw/zinc/19/27/12/1007192712.db2.gz BTDJSGVVQFXHAH-GOSISDBHSA-N -1 3 368.389 2.792 20 30 FFEDHM CCCn1ccc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001189834350 1007301856 /nfs/dbraw/zinc/30/18/56/1007301856.db2.gz OYTNUMXQGXKCBW-UHFFFAOYSA-N -1 3 356.304 2.758 20 30 FFEDHM CCn1nc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc1C ZINC001190122606 1007481856 /nfs/dbraw/zinc/48/18/56/1007481856.db2.gz UMWLTKZKYNXTEC-UHFFFAOYSA-N -1 3 356.304 2.676 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3cc(F)ccc32)c1 ZINC001190671020 1007726048 /nfs/dbraw/zinc/72/60/48/1007726048.db2.gz QIRRZSGOLCALOY-CQSZACIVSA-N -1 3 350.346 2.639 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)cc2)C(=O)OCC)CC1 ZINC001190834462 1007801880 /nfs/dbraw/zinc/80/18/80/1007801880.db2.gz GWSHJCFJMLQMPG-HNNXBMFYSA-N -1 3 371.886 2.842 20 30 FFEDHM C=CCCn1cc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)nn1 ZINC000819944307 1008261879 /nfs/dbraw/zinc/26/18/79/1008261879.db2.gz LYZRGMLOHRVFTC-MRXNPFEDSA-N -1 3 365.437 2.940 20 30 FFEDHM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC000820185265 1008301695 /nfs/dbraw/zinc/30/16/95/1008301695.db2.gz LKZKALNAAKVVKN-OAHLLOKOSA-N -1 3 371.780 2.724 20 30 FFEDHM Cc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)cc1C ZINC000820470500 1008338686 /nfs/dbraw/zinc/33/86/86/1008338686.db2.gz ANLSFVXZVOWMLA-GOSISDBHSA-N -1 3 366.417 2.644 20 30 FFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2cncc(C#N)c2)s1 ZINC001178378423 1008961792 /nfs/dbraw/zinc/96/17/92/1008961792.db2.gz XQLDGNBCJGYEBF-UHFFFAOYSA-N -1 3 359.411 2.687 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN(C(=O)c3cc([O-])c(C)c(F)c3)CC2)C1=O ZINC001274117968 1009420411 /nfs/dbraw/zinc/42/04/11/1009420411.db2.gz ZYNLOSJZZFHIGJ-FQEVSTJZSA-N -1 3 360.429 2.871 20 30 FFEDHM COc1c([O-])c(CN2CCc3c(CC#N)cccc3C2)ccc1[N+](=O)[O-] ZINC000862542053 1009873962 /nfs/dbraw/zinc/87/39/62/1009873962.db2.gz CWRFUNALTUQDCX-UHFFFAOYSA-N -1 3 353.378 2.933 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000862568717 1009883662 /nfs/dbraw/zinc/88/36/62/1009883662.db2.gz GHAQRXFCSWNRGN-LLVKDONJSA-N -1 3 364.323 2.912 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1 ZINC000119603010 1010310115 /nfs/dbraw/zinc/31/01/15/1010310115.db2.gz ITLGMATWCCEWRK-INIZCTEOSA-N -1 3 369.446 2.908 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2)CCO1 ZINC000794588889 1010379011 /nfs/dbraw/zinc/37/90/11/1010379011.db2.gz ADSLPXJBQHBJNI-OAHLLOKOSA-N -1 3 371.462 2.779 20 30 FFEDHM COCCOc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccn1 ZINC000777303044 1010476878 /nfs/dbraw/zinc/47/68/78/1010476878.db2.gz WLDKUXFRHPNXRC-HNNXBMFYSA-N -1 3 373.796 2.721 20 30 FFEDHM C=CCn1c(SCc2nc3c(c(=O)[n-]2)COCC3)nnc1-c1ccco1 ZINC000865350495 1010770658 /nfs/dbraw/zinc/77/06/58/1010770658.db2.gz HORCPDBNEQWNQK-UHFFFAOYSA-N -1 3 371.422 2.585 20 30 FFEDHM COc1ccc(NCc2cc(C#N)ccc2N(C)C)cc1[N-]S(C)(=O)=O ZINC000865497311 1010799023 /nfs/dbraw/zinc/79/90/23/1010799023.db2.gz JGRSMTQSAITGKV-UHFFFAOYSA-N -1 3 374.466 2.616 20 30 FFEDHM C#C[C@H](CC)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868538301 1011357322 /nfs/dbraw/zinc/35/73/22/1011357322.db2.gz RUSRGIAEROARKH-CHWSQXEVSA-N -1 3 367.371 2.780 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1cc(CC)ccc1[O-])CC2 ZINC001274785738 1011654225 /nfs/dbraw/zinc/65/42/25/1011654225.db2.gz DKMYSWHQXJJLHL-KRWDZBQOSA-N -1 3 356.466 2.889 20 30 FFEDHM C=CCN1CC[C@]2(CCCN2Cc2cccc([O-])c2Br)C1=O ZINC001275208266 1012077983 /nfs/dbraw/zinc/07/79/83/1012077983.db2.gz FTTYVOJTLDRLKI-QGZVFWFLSA-N -1 3 365.271 2.908 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NC1CCc3cc(O)ccc31)[n-]c2=O ZINC000780227541 1017950832 /nfs/dbraw/zinc/95/08/32/1017950832.db2.gz QBPJURWGYCLWNG-UHFFFAOYSA-N -1 3 352.398 2.755 20 30 FFEDHM Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])c(C#N)cn1 ZINC001045345424 1019946987 /nfs/dbraw/zinc/94/69/87/1019946987.db2.gz FRQOIOJYPIHPLW-IAGOWNOFSA-N -1 3 350.422 2.542 20 30 FFEDHM C#Cc1cccc(NC(=S)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000726477193 1020469530 /nfs/dbraw/zinc/46/95/30/1020469530.db2.gz VHRVHMGDQQJHQS-UHFFFAOYSA-N -1 3 365.458 2.528 20 30 FFEDHM Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900678005 1020578980 /nfs/dbraw/zinc/57/89/80/1020578980.db2.gz FFMIADLLBFHDOM-UHFFFAOYSA-N -1 3 364.377 2.938 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000041496178 1022084155 /nfs/dbraw/zinc/08/41/55/1022084155.db2.gz LPFLBPBNAOBNJF-OAHLLOKOSA-N -1 3 359.389 2.549 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc(Cl)n1 ZINC000778605025 1022151869 /nfs/dbraw/zinc/15/18/69/1022151869.db2.gz GFFSGAZEBXEJMV-ZDUSSCGKSA-N -1 3 371.780 2.776 20 30 FFEDHM Cc1c([O-])ccc2c(CSc3nc(N)c(C#N)cc3C#N)cc(=O)oc12 ZINC000119398977 1022563684 /nfs/dbraw/zinc/56/36/84/1022563684.db2.gz YECJNPDWOFTBBW-UHFFFAOYSA-N -1 3 364.386 2.820 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC001122492644 1023303101 /nfs/dbraw/zinc/30/31/01/1023303101.db2.gz WXIWKSSCNNIRAE-ZBFHGGJFSA-N -1 3 368.462 2.643 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2nc(C)cs2)C1 ZINC001122495562 1023304379 /nfs/dbraw/zinc/30/43/79/1023304379.db2.gz BKYQGDYZZCBSMR-LBPRGKRZSA-N -1 3 372.454 2.974 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000779197362 1023343398 /nfs/dbraw/zinc/34/33/98/1023343398.db2.gz RNQJWGUXYLZWPG-CYBMUJFWSA-N -1 3 367.317 2.593 20 30 FFEDHM Cc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)c(OC[C@H]2CCOC2)c1 ZINC000755030783 1023557122 /nfs/dbraw/zinc/55/71/22/1023557122.db2.gz CZFPRWZKTXGSBW-HNJRTNGCSA-N -1 3 370.449 2.931 20 30 FFEDHM C=CC[C@H](C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001124001819 1024216127 /nfs/dbraw/zinc/21/61/27/1024216127.db2.gz ZKALEWJARMQSFI-IRXDYDNUSA-N -1 3 352.438 2.545 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1cccnc1 ZINC000759236808 1024528454 /nfs/dbraw/zinc/52/84/54/1024528454.db2.gz IRQLREORMKNNSS-LZNQSLFOSA-N -1 3 365.389 2.808 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H](OC(=O)Cc3ccc([O-])c(F)c3)C2=O)cc1 ZINC000838142826 1026225257 /nfs/dbraw/zinc/22/52/57/1026225257.db2.gz BREYMUBLRLGPHA-GOSISDBHSA-N -1 3 368.364 2.684 20 30 FFEDHM COC(=O)c1cc2c(N=C(NO)c3ccc(C)cn3)[n-]c(Cl)cc-2n1 ZINC001158500101 1027045362 /nfs/dbraw/zinc/04/53/62/1027045362.db2.gz FYGFJRWLHFBHOH-UHFFFAOYSA-N -1 3 359.773 2.763 20 30 FFEDHM COC(=O)c1cc2c(cc(Cl)nc2N=C(NO)c2ccc(C)cn2)[n-]1 ZINC001158500101 1027045367 /nfs/dbraw/zinc/04/53/67/1027045367.db2.gz FYGFJRWLHFBHOH-UHFFFAOYSA-N -1 3 359.773 2.763 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cn3c(n2)CCCC3)c(C)c1[O-] ZINC001153406727 1027864198 /nfs/dbraw/zinc/86/41/98/1027864198.db2.gz UYNFYPGQPQGEAE-UHFFFAOYSA-N -1 3 368.393 2.534 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160949525 1027940444 /nfs/dbraw/zinc/94/04/44/1027940444.db2.gz ZZIHWSQHVAVUKQ-UHFFFAOYSA-N -1 3 371.322 2.800 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160949525 1027940453 /nfs/dbraw/zinc/94/04/53/1027940453.db2.gz ZZIHWSQHVAVUKQ-UHFFFAOYSA-N -1 3 371.322 2.800 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1n[nH]c2cc(OC)ccc21 ZINC001154465293 1028308421 /nfs/dbraw/zinc/30/84/21/1028308421.db2.gz XYOHLQVAKMNDKO-UHFFFAOYSA-N -1 3 356.363 2.544 20 30 FFEDHM CCCC(=O)N1CSC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001161807452 1028321825 /nfs/dbraw/zinc/32/18/25/1028321825.db2.gz IYVSGXHAYGYJPF-MRXNPFEDSA-N -1 3 350.484 2.929 20 30 FFEDHM COc1ccc(C)cc1N1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC1=O ZINC001161842424 1028329993 /nfs/dbraw/zinc/32/99/93/1028329993.db2.gz DESMGESKBRCFHE-HNNXBMFYSA-N -1 3 372.396 2.914 20 30 FFEDHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(C#N)cn3)cc2)cc(=O)[n-]1 ZINC000780656537 1028760831 /nfs/dbraw/zinc/76/08/31/1028760831.db2.gz GAHHXXLTKIRXSB-UHFFFAOYSA-N -1 3 360.377 2.746 20 30 FFEDHM O=C1COc2nc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ccc2N1 ZINC001155909608 1028971494 /nfs/dbraw/zinc/97/14/94/1028971494.db2.gz RMXKYRXUWRHOQF-UHFFFAOYSA-N -1 3 368.271 2.559 20 30 FFEDHM COC(=O)c1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cnc1C ZINC001163764876 1029052785 /nfs/dbraw/zinc/05/27/85/1029052785.db2.gz CMLYOHHZTSGJAZ-UHFFFAOYSA-N -1 3 370.287 2.718 20 30 FFEDHM CC(=O)Nc1cncc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001163765100 1029053450 /nfs/dbraw/zinc/05/34/50/1029053450.db2.gz LBUGGAILNBLZBO-UHFFFAOYSA-N -1 3 355.276 2.582 20 30 FFEDHM [O-]N=C(Nc1ncnc2c1COCC2)c1ccc(OC(F)(F)F)cc1 ZINC001163764990 1029053532 /nfs/dbraw/zinc/05/35/32/1029053532.db2.gz JFMQYHDLRVQGPD-UHFFFAOYSA-N -1 3 354.288 2.696 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(=O)[C@@H]3CCCC[C@H]32)n1 ZINC001163791392 1029062814 /nfs/dbraw/zinc/06/28/14/1029062814.db2.gz RTFLZYJRXXMFOT-VUKLLELYSA-N -1 3 354.863 2.998 20 30 FFEDHM CCOC(=O)C1(C)CCN(c2nc(SC)nc(Cl)c2/C=N/[O-])CC1 ZINC001166794291 1030521364 /nfs/dbraw/zinc/52/13/64/1030521364.db2.gz DBQONLFZQWVGBO-RQZCQDPDSA-N -1 3 372.878 2.830 20 30 FFEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N(CC#N)Cc1ccccc1 ZINC001166995669 1030603891 /nfs/dbraw/zinc/60/38/91/1030603891.db2.gz XMRFPPJQIZRAEK-UHFFFAOYSA-N -1 3 355.785 2.928 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cn2c(n1)CCC2 ZINC000842685181 1030900329 /nfs/dbraw/zinc/90/03/29/1030900329.db2.gz AZBFFMRWMUPSFA-NSHDSACASA-N -1 3 372.812 2.761 20 30 FFEDHM C=CCn1cc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)nn1 ZINC000842686011 1030900442 /nfs/dbraw/zinc/90/04/42/1030900442.db2.gz JEKYDSKARCVQPP-HNNXBMFYSA-N -1 3 351.410 2.550 20 30 FFEDHM Cc1nc(C#N)c([N-]C(=O)c2coc3c2CN(C(=O)OC(C)(C)C)C3)o1 ZINC001149875736 1031612842 /nfs/dbraw/zinc/61/28/42/1031612842.db2.gz ZZWNYRUYSWBGFV-UHFFFAOYSA-N -1 3 358.354 2.951 20 30 FFEDHM [O-]/N=C(\OC[C@@H]1COc2cc(Br)ccc2O1)c1ccccn1 ZINC001223976630 1033664460 /nfs/dbraw/zinc/66/44/60/1033664460.db2.gz WITYUEPVGLVWCA-KLIGIEKFSA-N -1 3 365.183 2.837 20 30 FFEDHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](O)O/C(=N\[O-])c1ccccn1 ZINC001223978626 1033669489 /nfs/dbraw/zinc/66/94/89/1033669489.db2.gz WCQSJQUBWFFUSQ-KSRTVMJUSA-N -1 3 350.415 2.556 20 30 FFEDHM C=C(C)CN1C[C@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276968239 1033866929 /nfs/dbraw/zinc/86/69/29/1033866929.db2.gz ZXPAAQZPFXUVGE-GOSISDBHSA-N -1 3 368.836 2.564 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)[n-]1 ZINC001225467367 1034265269 /nfs/dbraw/zinc/26/52/69/1034265269.db2.gz BQFCYJLTSGUOAQ-DUVNUKRYSA-N -1 3 359.426 2.992 20 30 FFEDHM C=CCOCC(COCC=C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225855157 1034428624 /nfs/dbraw/zinc/42/86/24/1034428624.db2.gz ZPMWHAOULMIEMX-UHFFFAOYSA-N -1 3 350.362 2.937 20 30 FFEDHM N#Cc1c(Cl)cccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001139693204 1035199504 /nfs/dbraw/zinc/19/95/04/1035199504.db2.gz TVINPFGZFLPQSZ-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM N#Cc1cccc2c(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)c[nH]c21 ZINC001139706804 1035202791 /nfs/dbraw/zinc/20/27/91/1035202791.db2.gz IKXGLROBNKMKHS-UHFFFAOYSA-N -1 3 360.417 2.703 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCC2 ZINC000835062572 1035497668 /nfs/dbraw/zinc/49/76/68/1035497668.db2.gz CZDXNMJMLCVJFI-LBPRGKRZSA-N -1 3 372.812 2.761 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)nc2)cc1Cl ZINC000835066388 1035504125 /nfs/dbraw/zinc/50/41/25/1035504125.db2.gz ZWFSBMNAJROBKH-CYBMUJFWSA-N -1 3 370.796 2.977 20 30 FFEDHM N#Cc1ccc([O-])c(OC[C@H]2OCCc3cn(Cc4ccncc4)nc32)c1 ZINC001227347007 1035515187 /nfs/dbraw/zinc/51/51/87/1035515187.db2.gz YZMOFRNANOXHGF-LJQANCHMSA-N -1 3 362.389 2.596 20 30 FFEDHM C=CCOCc1nn(C)c2c1CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232260337 1035530557 /nfs/dbraw/zinc/53/05/57/1035530557.db2.gz VVHHGYKNBQZGRW-UHFFFAOYSA-N -1 3 363.845 2.746 20 30 FFEDHM CCOCc1nn(CC2CC2)c2c1CN(Cc1ccc(C#N)cc1[O-])CC2 ZINC001233384069 1036582933 /nfs/dbraw/zinc/58/29/33/1036582933.db2.gz FWMVMIYWXIIIFN-UHFFFAOYSA-N -1 3 366.465 2.965 20 30 FFEDHM N#Cc1ccc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c([O-])c1 ZINC001233384717 1036586100 /nfs/dbraw/zinc/58/61/00/1036586100.db2.gz FWWMTZUXZVCCPU-KRWDZBQOSA-N -1 3 352.438 2.519 20 30 FFEDHM COCCOc1ccccc1N1CCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233388192 1036590441 /nfs/dbraw/zinc/59/04/41/1036590441.db2.gz PQHVDKLVQKVNLA-UHFFFAOYSA-N -1 3 367.449 2.611 20 30 FFEDHM C=CCN1C[C@]2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)OCC1=O ZINC001277829669 1036907278 /nfs/dbraw/zinc/90/72/78/1036907278.db2.gz GWWXGMIKZIICEE-QGZVFWFLSA-N -1 3 371.264 2.688 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234140943 1036937726 /nfs/dbraw/zinc/93/77/26/1036937726.db2.gz MSNWWHUIKMRDOZ-APWZRJJASA-N -1 3 360.410 2.811 20 30 FFEDHM C[C@H]1[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CN1C(=O)OC(C)(C)C ZINC001234512890 1037067304 /nfs/dbraw/zinc/06/73/04/1037067304.db2.gz GNIHGCBADVQEQV-GWCFXTLKSA-N -1 3 356.382 2.594 20 30 FFEDHM N#Cc1cccnc1N1CCC(Oc2[n-]c(=O)nc3cccc(F)c32)CC1 ZINC001231072309 1037456495 /nfs/dbraw/zinc/45/64/95/1037456495.db2.gz AAYJIRRSPAOWBA-UHFFFAOYSA-N -1 3 365.368 2.789 20 30 FFEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cc(C(=O)[O-])ccc1O)CCO2 ZINC001231563640 1037686525 /nfs/dbraw/zinc/68/65/25/1037686525.db2.gz LLHORIPRRZJIBO-FXAWDEMLSA-N -1 3 361.438 2.664 20 30 FFEDHM C#CCN(CC1CC1)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001255919784 1038248021 /nfs/dbraw/zinc/24/80/21/1038248021.db2.gz QWVATWADYMJKFA-UHFFFAOYSA-N -1 3 359.223 2.776 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208392673 1038278528 /nfs/dbraw/zinc/27/85/28/1038278528.db2.gz ASRLRLDAGIZBIK-CKEIUWERSA-N -1 3 358.486 2.598 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1OC ZINC001257097827 1038712043 /nfs/dbraw/zinc/71/20/43/1038712043.db2.gz LVVCQHOXTSYOGR-UHFFFAOYSA-N -1 3 354.334 2.654 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OC ZINC001257305883 1038763380 /nfs/dbraw/zinc/76/33/80/1038763380.db2.gz FAVJIWSUICIATF-CYBMUJFWSA-N -1 3 352.239 2.780 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2c(O)cccc2Br)c1 ZINC001259124748 1039732800 /nfs/dbraw/zinc/73/28/00/1039732800.db2.gz JPRYDZYFGVSSIE-UHFFFAOYSA-N -1 3 353.197 2.827 20 30 FFEDHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(F)c1 ZINC001259411130 1039981927 /nfs/dbraw/zinc/98/19/27/1039981927.db2.gz MMJYVYXTOFTHNQ-UHFFFAOYSA-N -1 3 366.345 2.814 20 30 FFEDHM COc1cnccc1Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001211260140 1040043832 /nfs/dbraw/zinc/04/38/32/1040043832.db2.gz UGHROXYRNOSWHF-DJKKODMXSA-N -1 3 353.407 2.791 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cnc(Br)c(F)c2)cc1 ZINC001260039007 1040371092 /nfs/dbraw/zinc/37/10/92/1040371092.db2.gz JPZLSLUDWYKDSE-UHFFFAOYSA-N -1 3 370.203 2.797 20 30 FFEDHM CC(C)(C)Cc1nc2cc(NC(=O)N[C@@H]3CCCN([O-])C3=O)ccc2o1 ZINC001215167049 1041685575 /nfs/dbraw/zinc/68/55/75/1041685575.db2.gz HVFIBOHDICZCQZ-GFCCVEGCSA-N -1 3 360.414 2.918 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(CCOC)CCc1ccccc1 ZINC001262962831 1041992595 /nfs/dbraw/zinc/99/25/95/1041992595.db2.gz XKJKRADHXUNRNO-UHFFFAOYSA-N -1 3 369.425 2.520 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001263062599 1042078655 /nfs/dbraw/zinc/07/86/55/1042078655.db2.gz YWHLTGZYIWYZJG-ROUUACIJSA-N -1 3 357.454 2.639 20 30 FFEDHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cc(C#N)ccc3F)no2)c1C ZINC001216961711 1042172572 /nfs/dbraw/zinc/17/25/72/1042172572.db2.gz NCDPKNNNNVHPRA-UHFFFAOYSA-N -1 3 364.336 2.999 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)c1 ZINC001263305848 1042232290 /nfs/dbraw/zinc/23/22/90/1042232290.db2.gz IZTVQGAITAGKOX-LLVKDONJSA-N -1 3 350.300 2.709 20 30 FFEDHM Cn1cc(CN2CC3(C2)CN(Cc2cccc(Cl)c2[O-])C3)cc1C#N ZINC001279441391 1043116152 /nfs/dbraw/zinc/11/61/52/1043116152.db2.gz AWBVYKSUCYVBBP-UHFFFAOYSA-N -1 3 356.857 2.574 20 30 FFEDHM C=CCN(CC=C)CCN1CCN(Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238153337 1043572830 /nfs/dbraw/zinc/57/28/30/1043572830.db2.gz AXIODESDEKATKO-UHFFFAOYSA-N -1 3 367.896 2.976 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc3c(c2)CCC3)cc1 ZINC001318834816 1044901302 /nfs/dbraw/zinc/90/13/02/1044901302.db2.gz BVKYARIFJIRJLF-UHFFFAOYSA-N -1 3 359.407 2.537 20 30 FFEDHM CSc1ncc(-c2ccc(Cl)cc2[O-])c(COS(C)(=O)=O)n1 ZINC001244469391 1045148178 /nfs/dbraw/zinc/14/81/78/1045148178.db2.gz JSIVSPDWBOPDIC-UHFFFAOYSA-N -1 3 360.844 2.701 20 30 FFEDHM C#CCCCCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001281945063 1045246945 /nfs/dbraw/zinc/24/69/45/1045246945.db2.gz VRWYZGQXBSKSOT-SJLPKXTDSA-N -1 3 354.450 2.649 20 30 FFEDHM Cc1cnn(C)c1C=Nn1c(-c2ccc(O)cc2[O-])csc1=NC(C)C ZINC001323517587 1045621621 /nfs/dbraw/zinc/62/16/21/1045621621.db2.gz KBTXKNYKGMJCJW-UHFFFAOYSA-N -1 3 371.466 2.861 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(OCC(F)(F)F)n2)c1[O-] ZINC001322139436 1045965498 /nfs/dbraw/zinc/96/54/98/1045965498.db2.gz BOBQIVNUBAZMMB-SCDVKCJHSA-N -1 3 355.316 2.543 20 30 FFEDHM CC(C)n1ncc2c1[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)CCC2 ZINC001326774470 1047082091 /nfs/dbraw/zinc/08/20/91/1047082091.db2.gz FWAJYJQPKGPNAQ-LBPRGKRZSA-N -1 3 350.469 2.753 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001288951289 1047536178 /nfs/dbraw/zinc/53/61/78/1047536178.db2.gz MGHBWCIRRRLMDI-FUHWJXTLSA-N -1 3 354.450 2.834 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001292774314 1049390393 /nfs/dbraw/zinc/39/03/93/1049390393.db2.gz UGGJVFVPFBVLRZ-GOSISDBHSA-N -1 3 364.449 2.924 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001340379747 1050772435 /nfs/dbraw/zinc/77/24/35/1050772435.db2.gz HKWXGKILIPZXGO-UHFFFAOYSA-N -1 3 357.336 2.994 20 30 FFEDHM C=C[C@H](COC)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001342779592 1051391891 /nfs/dbraw/zinc/39/18/91/1051391891.db2.gz YDNYXCKHXORFHD-MJGOQNOKSA-N -1 3 368.433 2.571 20 30 FFEDHM C=CC[C@H]1N(c2nnc(CCc3nnn[n-]3)n2CC2CC2)CCCC1(C)C ZINC001345751639 1052600926 /nfs/dbraw/zinc/60/09/26/1052600926.db2.gz TVVKHURLQWRVQT-OAHLLOKOSA-N -1 3 370.505 2.558 20 30 FFEDHM C=CC[C@H]1N(c2nnc(CCc3nn[n-]n3)n2CC2CC2)CCCC1(C)C ZINC001345751639 1052600931 /nfs/dbraw/zinc/60/09/31/1052600931.db2.gz TVVKHURLQWRVQT-OAHLLOKOSA-N -1 3 370.505 2.558 20 30 FFEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2cnc[n-]c2=O)n1CCCOCC ZINC001344407875 1052756578 /nfs/dbraw/zinc/75/65/78/1052756578.db2.gz UUDUYSQABXUETI-OAHLLOKOSA-N -1 3 372.473 2.802 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(Br)n2)CCCCC1 ZINC001475503860 1053331927 /nfs/dbraw/zinc/33/19/27/1053331927.db2.gz XKASQYYYVZZZAY-UHFFFAOYSA-N -1 3 358.261 2.596 20 30 FFEDHM N#CC[C@@H]([N-]C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC001337613732 1054890816 /nfs/dbraw/zinc/89/08/16/1054890816.db2.gz BAJGKPMVQQEFNH-SECBINFHSA-N -1 3 371.212 2.744 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001352061713 1055163774 /nfs/dbraw/zinc/16/37/74/1055163774.db2.gz AMEREXRFSUQYBG-ZDUSSCGKSA-N -1 3 352.398 2.522 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)ccc2=O)cc1 ZINC001356277065 1055430548 /nfs/dbraw/zinc/43/05/48/1055430548.db2.gz VGOQFEVOWXGAID-CJNGLKHVSA-N -1 3 351.406 2.860 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001338886683 1055904814 /nfs/dbraw/zinc/90/48/14/1055904814.db2.gz YTMOFELIHXROPU-OAHLLOKOSA-N -1 3 371.372 2.542 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1CCO[C@H]1CCCCO1 ZINC001357598809 1055958846 /nfs/dbraw/zinc/95/88/46/1055958846.db2.gz LALBUCQABAKHEK-KDOFPFPSSA-N -1 3 372.400 2.759 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2c(C)cccc2C1 ZINC001339197261 1056191241 /nfs/dbraw/zinc/19/12/41/1056191241.db2.gz PWAOVFQPHUOPDX-UHFFFAOYSA-N -1 3 362.437 2.806 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001339214299 1056211136 /nfs/dbraw/zinc/21/11/36/1056211136.db2.gz IGDOBMDJNZGAMV-QZTJIDSGSA-N -1 3 357.454 2.768 20 30 FFEDHM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848136964 1059106128 /nfs/dbraw/zinc/10/61/28/1059106128.db2.gz VEYKWPFBSMWQSY-KRWDZBQOSA-N -1 3 365.389 2.769 20 30 FFEDHM N#CCc1ccc(C[N-]S(=O)(=O)c2occc2Br)cc1 ZINC001475433146 1061086864 /nfs/dbraw/zinc/08/68/64/1061086864.db2.gz MEJCPGHRISWXDC-UHFFFAOYSA-N -1 3 355.213 2.587 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCCN(Cc3ccccc3)C2)o1 ZINC001475572974 1061144514 /nfs/dbraw/zinc/14/45/14/1061144514.db2.gz WONCFPSEKPKDDY-KRWDZBQOSA-N -1 3 373.478 2.874 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])ncc2c1COCC2 ZINC001461011854 1061185147 /nfs/dbraw/zinc/18/51/47/1061185147.db2.gz CDBNYTNYYWAKSK-UHFFFAOYSA-N -1 3 358.741 2.840 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])ncc2c1COCC2 ZINC001461016691 1061185991 /nfs/dbraw/zinc/18/59/91/1061185991.db2.gz VKQNTDLDAFSZRE-UHFFFAOYSA-N -1 3 358.741 2.840 20 30 FFEDHM C=CCCC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C(=O)OC ZINC001475688763 1061207855 /nfs/dbraw/zinc/20/78/55/1061207855.db2.gz NRCYAPCRMMLJEV-OLZOCXBDSA-N -1 3 353.431 2.629 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001476150534 1061356513 /nfs/dbraw/zinc/35/65/13/1061356513.db2.gz IVUDZTCPNRKSFA-VIFPVBQESA-N -1 3 353.304 2.718 20 30 FFEDHM C#CCCCCC(=O)NCC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001521989316 1061398141 /nfs/dbraw/zinc/39/81/41/1061398141.db2.gz XMZQIEHHHSOACB-IAGOWNOFSA-N -1 3 356.466 2.800 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@H](C(=O)OC(C)C)C(C)C ZINC001463748785 1062241057 /nfs/dbraw/zinc/24/10/57/1062241057.db2.gz UHOYRVMCOOEDRJ-KRWDZBQOSA-N -1 3 366.483 2.571 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CCC1 ZINC001464607187 1062710503 /nfs/dbraw/zinc/71/05/03/1062710503.db2.gz DKIXURIBVXUPED-UHFFFAOYSA-N -1 3 361.872 2.721 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001524189168 1062747986 /nfs/dbraw/zinc/74/79/86/1062747986.db2.gz KTUUSRBABRONRO-CQSZACIVSA-N -1 3 357.336 2.994 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cc(F)c(F)c(F)c2F)ncc2c1COCC2 ZINC001436896748 1062793944 /nfs/dbraw/zinc/79/39/44/1062793944.db2.gz WSOQSCKHHXEMCQ-UHFFFAOYSA-N -1 3 351.259 2.835 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC001575298468 1078126821 /nfs/dbraw/zinc/12/68/21/1078126821.db2.gz SGXMNKGZBHJJDL-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC001575298468 1078126824 /nfs/dbraw/zinc/12/68/24/1078126824.db2.gz SGXMNKGZBHJJDL-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2cn[nH]n2)cc1 ZINC001577216865 1078318255 /nfs/dbraw/zinc/31/82/55/1078318255.db2.gz KAZBTAZQWLIBDR-UHFFFAOYSA-N -1 3 362.393 2.632 20 30 FFEDHM Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2F)cc(C)c1-c1nnn[n-]1 ZINC001580885046 1078884856 /nfs/dbraw/zinc/88/48/56/1078884856.db2.gz BJFPQJJPXJUGHL-UHFFFAOYSA-N -1 3 354.320 2.886 20 30 FFEDHM Cc1cc(C(=O)Nc2cc(C#N)c(F)cc2F)cc(C)c1-c1nn[n-]n1 ZINC001580885046 1078884859 /nfs/dbraw/zinc/88/48/59/1078884859.db2.gz BJFPQJJPXJUGHL-UHFFFAOYSA-N -1 3 354.320 2.886 20 30 FFEDHM N#CCOc1ccc(Cl)cc1CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001581858608 1079009527 /nfs/dbraw/zinc/00/95/27/1079009527.db2.gz NHJHNYATSOPNSJ-UHFFFAOYSA-N -1 3 366.812 2.938 20 30 FFEDHM N#CCOc1ccc(Cl)cc1CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001581858608 1079009536 /nfs/dbraw/zinc/00/95/36/1079009536.db2.gz NHJHNYATSOPNSJ-UHFFFAOYSA-N -1 3 366.812 2.938 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)o1 ZINC001581869300 1079010208 /nfs/dbraw/zinc/01/02/08/1079010208.db2.gz RBMANSSXFRPRLZ-UHFFFAOYSA-N -1 3 373.332 2.771 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)o1 ZINC001581869300 1079010214 /nfs/dbraw/zinc/01/02/14/1079010214.db2.gz RBMANSSXFRPRLZ-UHFFFAOYSA-N -1 3 373.332 2.771 20 30 FFEDHM Cc1ccccc1N1CCC[C@@H](/N=C\c2c([O-])c(C)ncc2CO)C1=O ZINC001551294526 1074680079 /nfs/dbraw/zinc/68/00/79/1074680079.db2.gz OVGVSEARJGZHPQ-FIJRTHIRSA-N -1 3 353.422 2.511 20 30 FFEDHM N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC001556749355 1075771442 /nfs/dbraw/zinc/77/14/42/1075771442.db2.gz DUALCEGAABWUBB-OAHLLOKOSA-N -1 3 371.780 2.724 20 30 FFEDHM N#Cc1c[nH]nc1[N-]C(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC001557134599 1075811856 /nfs/dbraw/zinc/81/18/56/1075811856.db2.gz HIXSXIGEXKXZLQ-UHFFFAOYSA-N -1 3 358.155 2.951 20 30 FFEDHM N#Cc1ccsc1C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001558686751 1076056800 /nfs/dbraw/zinc/05/68/00/1076056800.db2.gz AGYKDBOOGSCEJY-UHFFFAOYSA-N -1 3 352.375 2.952 20 30 FFEDHM N#Cc1ccsc1C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001558686751 1076056806 /nfs/dbraw/zinc/05/68/06/1076056806.db2.gz AGYKDBOOGSCEJY-UHFFFAOYSA-N -1 3 352.375 2.952 20 30 FFEDHM CS(=O)(=O)c1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001559036751 1076118153 /nfs/dbraw/zinc/11/81/53/1076118153.db2.gz VQDGUYSBWBPSPX-UHFFFAOYSA-N -1 3 356.403 2.670 20 30 FFEDHM C[C@H]1C[C@H](C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1 ZINC001559033137 1076118319 /nfs/dbraw/zinc/11/83/19/1076118319.db2.gz XERRMIWWHVUBQK-FICVDOATSA-N -1 3 358.438 2.963 20 30 FFEDHM C=C1CCC(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CC1 ZINC001561905104 1076442244 /nfs/dbraw/zinc/44/22/44/1076442244.db2.gz BPHQQQOKLGANAR-UHFFFAOYSA-N -1 3 359.394 2.776 20 30 FFEDHM C=CCC(CC=C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001588299859 1079966426 /nfs/dbraw/zinc/96/64/26/1079966426.db2.gz SOJJZBQIKREBCG-UHFFFAOYSA-N -1 3 357.501 2.927 20 30 FFEDHM C#C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329239 1079985673 /nfs/dbraw/zinc/98/56/73/1079985673.db2.gz BCMKTPHPFBLIHA-KBXCAEBGSA-N -1 3 360.421 2.944 20 30 FFEDHM C#C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329239 1079985679 /nfs/dbraw/zinc/98/56/79/1079985679.db2.gz BCMKTPHPFBLIHA-KBXCAEBGSA-N -1 3 360.421 2.944 20 30 FFEDHM C#C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC001588330153 1079987201 /nfs/dbraw/zinc/98/72/01/1079987201.db2.gz VZSWIHLOTSOSQS-AWEZNQCLSA-N -1 3 373.750 2.903 20 30 FFEDHM C#C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC001588330153 1079987205 /nfs/dbraw/zinc/98/72/05/1079987205.db2.gz VZSWIHLOTSOSQS-AWEZNQCLSA-N -1 3 373.750 2.903 20 30 FFEDHM C#CC[C@H](CCOC)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588331324 1079987849 /nfs/dbraw/zinc/98/78/49/1079987849.db2.gz NKLBKLITMCFLHR-CYBMUJFWSA-N -1 3 369.450 2.548 20 30 FFEDHM C#CC[C@H](CCOC)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588331324 1079987850 /nfs/dbraw/zinc/98/78/50/1079987850.db2.gz NKLBKLITMCFLHR-CYBMUJFWSA-N -1 3 369.450 2.548 20 30 FFEDHM C#CCC1(NC(=O)Nc2cc(OC)c(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001588334878 1079989321 /nfs/dbraw/zinc/98/93/21/1079989321.db2.gz OMLXNRJBDAFACJ-UHFFFAOYSA-N -1 3 372.404 2.862 20 30 FFEDHM C#CCC1(NC(=O)Nc2cc(OC)c(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001588334878 1079989325 /nfs/dbraw/zinc/98/93/25/1079989325.db2.gz OMLXNRJBDAFACJ-UHFFFAOYSA-N -1 3 372.404 2.862 20 30 FFEDHM C#CCCCc1nnc(N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1CC ZINC001588345423 1079990367 /nfs/dbraw/zinc/99/03/67/1079990367.db2.gz FVUHHPRBNWLKNG-AWEZNQCLSA-N -1 3 364.457 2.631 20 30 FFEDHM C#CCCCc1nnc(N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1CC ZINC001588345423 1079990371 /nfs/dbraw/zinc/99/03/71/1079990371.db2.gz FVUHHPRBNWLKNG-AWEZNQCLSA-N -1 3 364.457 2.631 20 30 FFEDHM C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cn2)C(F)(F)F)cc1 ZINC001588373294 1079996726 /nfs/dbraw/zinc/99/67/26/1079996726.db2.gz IAYOXXQWEVYNHN-CQSZACIVSA-N -1 3 373.294 2.703 20 30 FFEDHM C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cn2)C(F)(F)F)cc1 ZINC001588373294 1079996732 /nfs/dbraw/zinc/99/67/32/1079996732.db2.gz IAYOXXQWEVYNHN-CQSZACIVSA-N -1 3 373.294 2.703 20 30 FFEDHM C#Cc1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC001588374749 1079997719 /nfs/dbraw/zinc/99/77/19/1079997719.db2.gz MLAGIRCAIIQHNZ-UHFFFAOYSA-N -1 3 359.176 2.802 20 30 FFEDHM C#Cc1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC001588374749 1079997724 /nfs/dbraw/zinc/99/77/24/1079997724.db2.gz MLAGIRCAIIQHNZ-UHFFFAOYSA-N -1 3 359.176 2.802 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588392840 1080004206 /nfs/dbraw/zinc/00/42/06/1080004206.db2.gz JVQMTECWDXRLNM-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588392840 1080004215 /nfs/dbraw/zinc/00/42/15/1080004215.db2.gz JVQMTECWDXRLNM-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588394837 1080006575 /nfs/dbraw/zinc/00/65/75/1080006575.db2.gz ZIFOMCSJEOVEEM-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588394837 1080006582 /nfs/dbraw/zinc/00/65/82/1080006582.db2.gz ZIFOMCSJEOVEEM-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC(C)CC1 ZINC001588436827 1080027110 /nfs/dbraw/zinc/02/71/10/1080027110.db2.gz QXBFHXMUEFNVTL-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC(C)CC1 ZINC001588436827 1080027118 /nfs/dbraw/zinc/02/71/18/1080027118.db2.gz QXBFHXMUEFNVTL-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)CCCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001588454468 1080030746 /nfs/dbraw/zinc/03/07/46/1080030746.db2.gz BCCSSMPIIDDMCG-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)CCCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001588454468 1080030753 /nfs/dbraw/zinc/03/07/53/1080030753.db2.gz BCCSSMPIIDDMCG-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(Cl)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588449027 1080031182 /nfs/dbraw/zinc/03/11/82/1080031182.db2.gz DRTODKDGDPMAKU-UHFFFAOYSA-N -1 3 357.599 2.503 20 30 FFEDHM C=C(Cl)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588449027 1080031189 /nfs/dbraw/zinc/03/11/89/1080031189.db2.gz DRTODKDGDPMAKU-UHFFFAOYSA-N -1 3 357.599 2.503 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC001588475419 1080043104 /nfs/dbraw/zinc/04/31/04/1080043104.db2.gz NORUYMNNSHMOPR-JSGCOSHPSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC001588475419 1080043114 /nfs/dbraw/zinc/04/31/14/1080043114.db2.gz NORUYMNNSHMOPR-JSGCOSHPSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588484682 1080048021 /nfs/dbraw/zinc/04/80/21/1080048021.db2.gz KKSFYSYOVTWKMD-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588484682 1080048029 /nfs/dbraw/zinc/04/80/29/1080048029.db2.gz KKSFYSYOVTWKMD-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588488113 1080052611 /nfs/dbraw/zinc/05/26/11/1080052611.db2.gz XGAMRNYOSUPCJZ-TXEJJXNPSA-N -1 3 358.421 2.667 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588488113 1080052625 /nfs/dbraw/zinc/05/26/25/1080052625.db2.gz XGAMRNYOSUPCJZ-TXEJJXNPSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)CC(C)C ZINC001588492155 1080053360 /nfs/dbraw/zinc/05/33/60/1080053360.db2.gz PBTRRVMHEZBTSE-AUUYWEPGSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)CC(C)C ZINC001588492155 1080053367 /nfs/dbraw/zinc/05/33/67/1080053367.db2.gz PBTRRVMHEZBTSE-AUUYWEPGSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588492584 1080053526 /nfs/dbraw/zinc/05/35/26/1080053526.db2.gz UMLSRGFFWXNAOP-IFXJQAMLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588492584 1080053531 /nfs/dbraw/zinc/05/35/31/1080053531.db2.gz UMLSRGFFWXNAOP-IFXJQAMLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588492267 1080053678 /nfs/dbraw/zinc/05/36/78/1080053678.db2.gz QEPHNTPUCYOQGY-AUUYWEPGSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001588492267 1080053684 /nfs/dbraw/zinc/05/36/84/1080053684.db2.gz QEPHNTPUCYOQGY-AUUYWEPGSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588500507 1080061265 /nfs/dbraw/zinc/06/12/65/1080061265.db2.gz YXWYHPNRWGPFRW-GOSISDBHSA-N -1 3 359.430 2.821 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588500507 1080061273 /nfs/dbraw/zinc/06/12/73/1080061273.db2.gz YXWYHPNRWGPFRW-GOSISDBHSA-N -1 3 359.430 2.821 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588520829 1080073147 /nfs/dbraw/zinc/07/31/47/1080073147.db2.gz FXSCKKCNIJIHGQ-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588520829 1080073154 /nfs/dbraw/zinc/07/31/54/1080073154.db2.gz FXSCKKCNIJIHGQ-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588522678 1080075765 /nfs/dbraw/zinc/07/57/65/1080075765.db2.gz FEGMLYUUOUUHDU-ZIAGYGMSSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588522678 1080075771 /nfs/dbraw/zinc/07/57/71/1080075771.db2.gz FEGMLYUUOUUHDU-ZIAGYGMSSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@H]1CCCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588527768 1080077902 /nfs/dbraw/zinc/07/79/02/1080077902.db2.gz VWWMJTXULMSSEO-NSHDSACASA-N -1 3 351.370 2.868 20 30 FFEDHM C=C[C@H]1CCCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588527768 1080077911 /nfs/dbraw/zinc/07/79/11/1080077911.db2.gz VWWMJTXULMSSEO-NSHDSACASA-N -1 3 351.370 2.868 20 30 FFEDHM C=CCC(C)(C)COC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588539694 1080085748 /nfs/dbraw/zinc/08/57/48/1080085748.db2.gz VMYJWIXDYCNDGY-UHFFFAOYSA-N -1 3 352.398 2.812 20 30 FFEDHM C=CCC(C)(C)COC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588539694 1080085758 /nfs/dbraw/zinc/08/57/58/1080085758.db2.gz VMYJWIXDYCNDGY-UHFFFAOYSA-N -1 3 352.398 2.812 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(CCC)c1nc(C)ccc1-c1nnn[n-]1 ZINC001588538130 1080085974 /nfs/dbraw/zinc/08/59/74/1080085974.db2.gz JQEJGDWYXZRWGX-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(CCC)c1nc(C)ccc1-c1nn[n-]n1 ZINC001588538130 1080085983 /nfs/dbraw/zinc/08/59/83/1080085983.db2.gz JQEJGDWYXZRWGX-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588552385 1080091134 /nfs/dbraw/zinc/09/11/34/1080091134.db2.gz VLJGKPQYPPNTGC-KBPBESRZSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588552385 1080091144 /nfs/dbraw/zinc/09/11/44/1080091144.db2.gz VLJGKPQYPPNTGC-KBPBESRZSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588552396 1080092369 /nfs/dbraw/zinc/09/23/69/1080092369.db2.gz VSFHYKBGHCPTFH-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588552396 1080092375 /nfs/dbraw/zinc/09/23/75/1080092375.db2.gz VSFHYKBGHCPTFH-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001588560018 1080096613 /nfs/dbraw/zinc/09/66/13/1080096613.db2.gz NDXRTVPTBMHYTL-UONOGXRCSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001588560018 1080096619 /nfs/dbraw/zinc/09/66/19/1080096619.db2.gz NDXRTVPTBMHYTL-UONOGXRCSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001588566959 1080101811 /nfs/dbraw/zinc/10/18/11/1080101811.db2.gz PCCRHRDAGBFTBC-WFASDCNBSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001588566959 1080101813 /nfs/dbraw/zinc/10/18/13/1080101813.db2.gz PCCRHRDAGBFTBC-WFASDCNBSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCC[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588579186 1080107504 /nfs/dbraw/zinc/10/75/04/1080107504.db2.gz JZIWMEMRAXXYSG-MRVPVSSYSA-N -1 3 356.199 2.507 20 30 FFEDHM C=CCC[C@H](CO)Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588579186 1080107507 /nfs/dbraw/zinc/10/75/07/1080107507.db2.gz JZIWMEMRAXXYSG-MRVPVSSYSA-N -1 3 356.199 2.507 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588593976 1080115510 /nfs/dbraw/zinc/11/55/10/1080115510.db2.gz JMDOOKNLDLGWOQ-CYBMUJFWSA-N -1 3 351.414 2.527 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588593976 1080115512 /nfs/dbraw/zinc/11/55/12/1080115512.db2.gz JMDOOKNLDLGWOQ-CYBMUJFWSA-N -1 3 351.414 2.527 20 30 FFEDHM C=CCCCCCCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001588593657 1080115768 /nfs/dbraw/zinc/11/57/68/1080115768.db2.gz GILPETLLYRAJFX-UHFFFAOYSA-N -1 3 367.450 2.562 20 30 FFEDHM C=CCCCCCCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001588593657 1080115771 /nfs/dbraw/zinc/11/57/71/1080115771.db2.gz GILPETLLYRAJFX-UHFFFAOYSA-N -1 3 367.450 2.562 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001588640148 1080133845 /nfs/dbraw/zinc/13/38/45/1080133845.db2.gz MVUBRWWCXUPSIB-QZTJIDSGSA-N -1 3 367.453 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001588640148 1080133848 /nfs/dbraw/zinc/13/38/48/1080133848.db2.gz MVUBRWWCXUPSIB-QZTJIDSGSA-N -1 3 367.453 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2c(c1)CCO2 ZINC001588648856 1080139823 /nfs/dbraw/zinc/13/98/23/1080139823.db2.gz VTGWNRFIIXMOEH-UHFFFAOYSA-N -1 3 361.405 2.630 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(c1)CCO2 ZINC001588648856 1080139828 /nfs/dbraw/zinc/13/98/28/1080139828.db2.gz VTGWNRFIIXMOEH-UHFFFAOYSA-N -1 3 361.405 2.630 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C(C)C)n[nH]1 ZINC001588649455 1080139966 /nfs/dbraw/zinc/13/99/66/1080139966.db2.gz OIRLGLAULRZCLF-UHFFFAOYSA-N -1 3 351.414 2.542 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588653633 1080143779 /nfs/dbraw/zinc/14/37/79/1080143779.db2.gz QVTIKAVTAZJXPI-UHFFFAOYSA-N -1 3 354.439 2.826 20 30 FFEDHM C=CCN1CC[C@@H](Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)C1=O ZINC001588657698 1080144060 /nfs/dbraw/zinc/14/40/60/1080144060.db2.gz TWTHZZFNCVZKPJ-GOSISDBHSA-N -1 3 361.405 2.699 20 30 FFEDHM C=CCN1CC[C@@H](Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)C1=O ZINC001588657698 1080144065 /nfs/dbraw/zinc/14/40/65/1080144065.db2.gz TWTHZZFNCVZKPJ-GOSISDBHSA-N -1 3 361.405 2.699 20 30 FFEDHM C=CCOCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588683265 1080152572 /nfs/dbraw/zinc/15/25/72/1080152572.db2.gz PPHNQFJEWWFRSD-UHFFFAOYSA-N -1 3 350.448 2.550 20 30 FFEDHM C=CCOCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588683265 1080152574 /nfs/dbraw/zinc/15/25/74/1080152574.db2.gz PPHNQFJEWWFRSD-UHFFFAOYSA-N -1 3 350.448 2.550 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC001588689965 1080156485 /nfs/dbraw/zinc/15/64/85/1080156485.db2.gz QGCIZIJNRWOKMZ-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC001588689965 1080156487 /nfs/dbraw/zinc/15/64/87/1080156487.db2.gz QGCIZIJNRWOKMZ-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM CC#CCCCC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588743689 1080178944 /nfs/dbraw/zinc/17/89/44/1080178944.db2.gz INQOEMVFEYGBSW-HDJSIYSDSA-N -1 3 370.432 2.506 20 30 FFEDHM CC#CCCCC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588743689 1080178948 /nfs/dbraw/zinc/17/89/48/1080178948.db2.gz INQOEMVFEYGBSW-HDJSIYSDSA-N -1 3 370.432 2.506 20 30 FFEDHM C=CCn1c(CCN2CCCCC2)nnc1SCC(C)(C)C(=O)[O-] ZINC001588900841 1080249197 /nfs/dbraw/zinc/24/91/97/1080249197.db2.gz OHBKRMQCEWBXFE-UHFFFAOYSA-N -1 3 352.504 2.695 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001589058094 1080331597 /nfs/dbraw/zinc/33/15/97/1080331597.db2.gz HYAICLYZBHMTSG-UHFFFAOYSA-N -1 3 357.377 2.526 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001589058094 1080331606 /nfs/dbraw/zinc/33/16/06/1080331606.db2.gz HYAICLYZBHMTSG-UHFFFAOYSA-N -1 3 357.377 2.526 20 30 FFEDHM CC(C)(CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1=CCCC1 ZINC001589282499 1080464496 /nfs/dbraw/zinc/46/44/96/1080464496.db2.gz MPEQRYVFYKTWIU-MRXNPFEDSA-N -1 3 364.453 2.802 20 30 FFEDHM CC(C)C(CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001589442812 1080535396 /nfs/dbraw/zinc/53/53/96/1080535396.db2.gz ZQYLJWNHLRVUDA-MRXNPFEDSA-N -1 3 354.458 2.593 20 30 FFEDHM CC(C)C[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001589572276 1080611507 /nfs/dbraw/zinc/61/15/07/1080611507.db2.gz NOKMLMCVSIDAOM-SJLPKXTDSA-N -1 3 366.469 2.834 20 30 FFEDHM CC(C)CSCCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589653559 1080652420 /nfs/dbraw/zinc/65/24/20/1080652420.db2.gz XNPFMFZDOCSDKG-MRXNPFEDSA-N -1 3 373.482 2.871 20 30 FFEDHM CC(C)CSCCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589653559 1080652421 /nfs/dbraw/zinc/65/24/21/1080652421.db2.gz XNPFMFZDOCSDKG-MRXNPFEDSA-N -1 3 373.482 2.871 20 30 FFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001589796659 1080750524 /nfs/dbraw/zinc/75/05/24/1080750524.db2.gz YGEKWESGNSGPNM-NSHDSACASA-N -1 3 357.389 2.909 20 30 FFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001589796659 1080750530 /nfs/dbraw/zinc/75/05/30/1080750530.db2.gz YGEKWESGNSGPNM-NSHDSACASA-N -1 3 357.389 2.909 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC001590042528 1080968480 /nfs/dbraw/zinc/96/84/80/1080968480.db2.gz UAAYSTPIBCDWCW-AWEZNQCLSA-N -1 3 372.432 2.990 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC001590042528 1080968485 /nfs/dbraw/zinc/96/84/85/1080968485.db2.gz UAAYSTPIBCDWCW-AWEZNQCLSA-N -1 3 372.432 2.990 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C=Cc1ccccc1C#N ZINC001590043734 1080969691 /nfs/dbraw/zinc/96/96/91/1080969691.db2.gz LZQQYEHBLUTYTF-BMSUMIBZSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C=Cc1ccccc1C#N ZINC001590043734 1080969694 /nfs/dbraw/zinc/96/96/94/1080969694.db2.gz LZQQYEHBLUTYTF-BMSUMIBZSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001590055871 1080983505 /nfs/dbraw/zinc/98/35/05/1080983505.db2.gz XJFRHOFDSSRQAI-KRWDZBQOSA-N -1 3 373.342 2.962 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001590055871 1080983515 /nfs/dbraw/zinc/98/35/15/1080983515.db2.gz XJFRHOFDSSRQAI-KRWDZBQOSA-N -1 3 373.342 2.962 20 30 FFEDHM C[C@@H]1CCc2nc(NC(=O)c3csc(C#N)c3)c(-c3nnn[n-]3)cc2C1 ZINC001590279497 1081136882 /nfs/dbraw/zinc/13/68/82/1081136882.db2.gz DWOFUTSFCNJRAE-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@@H]1CCc2nc(NC(=O)c3csc(C#N)c3)c(-c3nn[n-]n3)cc2C1 ZINC001590279497 1081136885 /nfs/dbraw/zinc/13/68/85/1081136885.db2.gz DWOFUTSFCNJRAE-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@H]1CCc2nc(NC(=O)CCCCCC#N)c(-c3nnn[n-]3)cc2C1 ZINC001590283861 1081139656 /nfs/dbraw/zinc/13/96/56/1081139656.db2.gz WLHPBUZENBCKLZ-LBPRGKRZSA-N -1 3 353.430 2.799 20 30 FFEDHM C[C@H]1CCc2nc(NC(=O)CCCCCC#N)c(-c3nn[n-]n3)cc2C1 ZINC001590283861 1081139660 /nfs/dbraw/zinc/13/96/60/1081139660.db2.gz WLHPBUZENBCKLZ-LBPRGKRZSA-N -1 3 353.430 2.799 20 30 FFEDHM COc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1[O-] ZINC000272624750 252084423 /nfs/dbraw/zinc/08/44/23/252084423.db2.gz SBIQZAFIVBZLGV-UHFFFAOYSA-N -1 3 351.406 2.625 20 30 FFEDHM COc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)ccc1[O-] ZINC000277072192 256158014 /nfs/dbraw/zinc/15/80/14/256158014.db2.gz IVPKQTXOKOUBFI-UHFFFAOYSA-N -1 3 367.405 2.787 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC=C(c2ccncc2)C1 ZINC000285934746 257012252 /nfs/dbraw/zinc/01/22/52/257012252.db2.gz VPHBBRJLNHLAKY-UHFFFAOYSA-N -1 3 362.433 2.919 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1cccs1 ZINC000289799480 257300006 /nfs/dbraw/zinc/30/00/06/257300006.db2.gz JHFKPNISDHYTQB-HNNXBMFYSA-N -1 3 350.465 2.658 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420750784 514275885 /nfs/dbraw/zinc/27/58/85/514275885.db2.gz NVXXHSZUHPVEGJ-SNVBAGLBSA-N -1 3 355.790 2.547 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOCC2(CCCC2)C1 ZINC000375370703 512289681 /nfs/dbraw/zinc/28/96/81/512289681.db2.gz RJUINTXADXBPKL-UHFFFAOYSA-N -1 3 357.454 2.628 20 30 FFEDHM Cc1ccc(OCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000009888606 506716502 /nfs/dbraw/zinc/71/65/02/506716502.db2.gz YISABEBLZKRXFV-UHFFFAOYSA-N -1 3 367.449 2.608 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067091734 506754425 /nfs/dbraw/zinc/75/44/25/506754425.db2.gz IGZZKUDPWDYZEF-AEFFLSMTSA-N -1 3 353.397 2.607 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOCC2CC2)c(C(F)(F)F)c1 ZINC000055987398 506903765 /nfs/dbraw/zinc/90/37/65/506903765.db2.gz YAOGKKDCRDVDLI-UHFFFAOYSA-N -1 3 362.373 2.672 20 30 FFEDHM N#Cc1ncn(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)n1 ZINC000014143660 506971006 /nfs/dbraw/zinc/97/10/06/506971006.db2.gz JAWBAPBGJMYTOF-UHFFFAOYSA-N -1 3 368.809 2.816 20 30 FFEDHM CN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000069649179 507529379 /nfs/dbraw/zinc/52/93/79/507529379.db2.gz HPNHJSRKLLNGJL-UHFFFAOYSA-N -1 3 361.398 2.612 20 30 FFEDHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000077295739 508296391 /nfs/dbraw/zinc/29/63/91/508296391.db2.gz QLEZXMOXFMXAQO-SFHVURJKSA-N -1 3 365.433 2.663 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000077379818 508307373 /nfs/dbraw/zinc/30/73/73/508307373.db2.gz ZPFDIKPEQUTRHT-UHFFFAOYSA-N -1 3 365.437 2.863 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000103965595 508324968 /nfs/dbraw/zinc/32/49/68/508324968.db2.gz XMHHNQUZBLXTLI-UHFFFAOYSA-N -1 3 361.405 2.825 20 30 FFEDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000088547159 508375857 /nfs/dbraw/zinc/37/58/57/508375857.db2.gz CDMPNOJXLHPEOY-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000077966314 508395480 /nfs/dbraw/zinc/39/54/80/508395480.db2.gz DQXQQLBFOXDPOT-UHFFFAOYSA-N -1 3 356.382 2.992 20 30 FFEDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000156524338 508433390 /nfs/dbraw/zinc/43/33/90/508433390.db2.gz JNJZBAQKDZEXMI-MRXNPFEDSA-N -1 3 364.854 2.786 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000127563844 508469434 /nfs/dbraw/zinc/46/94/34/508469434.db2.gz VHSJYXYKBSQUHO-AWEZNQCLSA-N -1 3 354.859 2.982 20 30 FFEDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156781976 508476025 /nfs/dbraw/zinc/47/60/25/508476025.db2.gz JYNDDBQNZBGATH-UHFFFAOYSA-N -1 3 365.842 2.874 20 30 FFEDHM C=CCN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000152917960 508530957 /nfs/dbraw/zinc/53/09/57/508530957.db2.gz PWONRVBFLAKLAK-UHFFFAOYSA-N -1 3 356.494 2.546 20 30 FFEDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157166657 508532058 /nfs/dbraw/zinc/53/20/58/508532058.db2.gz LBEIWTJCEDHMTK-AWEZNQCLSA-N -1 3 359.407 2.766 20 30 FFEDHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000122456952 508537771 /nfs/dbraw/zinc/53/77/71/508537771.db2.gz BXROGVPVNPESBF-GFCCVEGCSA-N -1 3 351.859 2.850 20 30 FFEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000128122477 508550763 /nfs/dbraw/zinc/55/07/63/508550763.db2.gz SLCNQBWZFYEBEO-WMLDXEAASA-N -1 3 373.453 2.639 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000128251279 508568063 /nfs/dbraw/zinc/56/80/63/508568063.db2.gz BMRARWJDJNHLCE-NSHDSACASA-N -1 3 372.381 2.787 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCc2ccccc2C1 ZINC000117165447 508582329 /nfs/dbraw/zinc/58/23/29/508582329.db2.gz JKYXEMNOKUCWJF-INIZCTEOSA-N -1 3 363.461 2.717 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)c(F)c1 ZINC000151120805 508961169 /nfs/dbraw/zinc/96/11/69/508961169.db2.gz RWLJYCNSLBPSRZ-UHFFFAOYSA-N -1 3 356.325 2.777 20 30 FFEDHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000151142361 508965350 /nfs/dbraw/zinc/96/53/50/508965350.db2.gz KFDCJMHVDACMHD-UHFFFAOYSA-N -1 3 353.444 2.764 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ncccc1Cl ZINC000126548908 509093978 /nfs/dbraw/zinc/09/39/78/509093978.db2.gz WKXJULXXMTYIMH-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOc1ncccc1Cl ZINC000126549193 509094535 /nfs/dbraw/zinc/09/45/35/509094535.db2.gz TYNIRYJONRSGGL-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000121002720 509107184 /nfs/dbraw/zinc/10/71/84/509107184.db2.gz NTTGJDSDESPNDY-UHFFFAOYSA-N -1 3 355.369 2.587 20 30 FFEDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000191791505 509182963 /nfs/dbraw/zinc/18/29/63/509182963.db2.gz DKYOJVWOBWAGAQ-BDJLRTHQSA-N -1 3 351.428 2.962 20 30 FFEDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000176795385 509694871 /nfs/dbraw/zinc/69/48/71/509694871.db2.gz WCZZBJQDKLTGLB-UHFFFAOYSA-N -1 3 370.446 2.878 20 30 FFEDHM Cc1nc([C@@H]([N-]S(=O)(=O)CCCCC#N)c2ccc(Cl)cc2)no1 ZINC000179990560 509701112 /nfs/dbraw/zinc/70/11/12/509701112.db2.gz XISZQYZOWVSVES-AWEZNQCLSA-N -1 3 368.846 2.734 20 30 FFEDHM CCC(CC)[C@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCO1 ZINC000183377828 509748277 /nfs/dbraw/zinc/74/82/77/509748277.db2.gz JDSFRNQYUIOVMS-QFBILLFUSA-N -1 3 373.497 2.896 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174042679 509921661 /nfs/dbraw/zinc/92/16/61/509921661.db2.gz HPCMYYOIIVASHN-LLVKDONJSA-N -1 3 372.381 2.787 20 30 FFEDHM CC[C@@H](C)[N-]C(=S)C(C(=O)c1c(C)noc1C)[n+]1cc([O-])ccc1F ZINC000186965017 509977411 /nfs/dbraw/zinc/97/74/11/509977411.db2.gz SOYDYKRKXIGUAV-SECBINFHSA-O -1 3 366.438 2.751 20 30 FFEDHM O=C([N-]CCCC(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000266665709 510718050 /nfs/dbraw/zinc/71/80/50/510718050.db2.gz RCLJWOIGXSALOG-UHFFFAOYSA-N -1 3 364.192 2.779 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000182046368 510729244 /nfs/dbraw/zinc/72/92/44/510729244.db2.gz MIAKGFQKNNKPBC-GFCCVEGCSA-N -1 3 364.405 2.726 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1[O-] ZINC000275350799 510880563 /nfs/dbraw/zinc/88/05/63/510880563.db2.gz ZCMZYIMFWKTWEC-QDEMEVODSA-N -1 3 363.458 2.652 20 30 FFEDHM CCOC(=O)[C@](C)(C/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000276407841 510937051 /nfs/dbraw/zinc/93/70/51/510937051.db2.gz VPFWKBDNPKKXJV-YUSOBQLHSA-N -1 3 356.422 2.528 20 30 FFEDHM CCC(=O)N[C@@H]1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000330251408 510948528 /nfs/dbraw/zinc/94/85/28/510948528.db2.gz HOBFIGMRQDHGLR-AUUYWEPGSA-N -1 3 372.425 2.757 20 30 FFEDHM COc1ccc(CN2CC[C@@H](/N=C/c3ccccc3[O-])C2=O)c(OC)c1 ZINC000286566098 511027123 /nfs/dbraw/zinc/02/71/23/511027123.db2.gz RDJQZXQYEQTTIP-KKJJZKEWSA-N -1 3 354.406 2.629 20 30 FFEDHM CC(C)(CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)N1CCCCC1 ZINC000331185158 511048961 /nfs/dbraw/zinc/04/89/61/511048961.db2.gz UHACOBJSKKNQTL-UHFFFAOYSA-N -1 3 365.425 2.655 20 30 FFEDHM CC1(C)CCC[C@@](O)(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000331253530 511054689 /nfs/dbraw/zinc/05/46/89/511054689.db2.gz RRNBRVWMOXVLBQ-KRWDZBQOSA-N -1 3 372.462 2.833 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000271057470 511070702 /nfs/dbraw/zinc/07/07/02/511070702.db2.gz UMQZWLMXWWXPDN-DXMJKOFBSA-N -1 3 373.840 2.632 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1N1CCOCC1 ZINC000279891884 511255011 /nfs/dbraw/zinc/25/50/11/511255011.db2.gz ICYYZUXVPKSEQY-UHFFFAOYSA-N -1 3 371.462 2.699 20 30 FFEDHM N#Cc1ccc(CN2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)cc1 ZINC000298751737 511399226 /nfs/dbraw/zinc/39/92/26/511399226.db2.gz VNKYOGBAUHPRKI-UHFFFAOYSA-N -1 3 365.462 2.586 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000365402722 511428369 /nfs/dbraw/zinc/42/83/69/511428369.db2.gz CPNSVAGQMYEURW-SFHVURJKSA-N -1 3 368.393 2.555 20 30 FFEDHM CC(=O)c1cc(F)cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1[O-] ZINC000292069931 511453848 /nfs/dbraw/zinc/45/38/48/511453848.db2.gz CORUOJGRHHENPL-INIZCTEOSA-N -1 3 355.369 2.654 20 30 FFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000273818034 511618530 /nfs/dbraw/zinc/61/85/30/511618530.db2.gz FGEYKCSBWJMWJY-UHFFFAOYSA-N -1 3 372.377 2.559 20 30 FFEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc(CC#N)cc1 ZINC000365725298 511621813 /nfs/dbraw/zinc/62/18/13/511621813.db2.gz GPUZMWXXNXPNCD-UHFFFAOYSA-N -1 3 351.797 2.876 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000306046134 511758006 /nfs/dbraw/zinc/75/80/06/511758006.db2.gz RAOPIFHJHAGIAU-JTQLQIEISA-N -1 3 351.653 2.929 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3F)C2)s1 ZINC000366097042 511837460 /nfs/dbraw/zinc/83/74/60/511837460.db2.gz XYRBZMCPHWXVAG-GFCCVEGCSA-N -1 3 365.455 2.564 20 30 FFEDHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1cccc(C)c1C ZINC000274700262 511914874 /nfs/dbraw/zinc/91/48/74/511914874.db2.gz YFFIANFMMICIBZ-MRXNPFEDSA-N -1 3 352.456 2.521 20 30 FFEDHM C=CCCc1noc(CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000351132869 511963695 /nfs/dbraw/zinc/96/36/95/511963695.db2.gz PZAZAMLZFNYERA-UHFFFAOYSA-N -1 3 351.428 2.917 20 30 FFEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)NC[C@H](O)C(F)(F)F ZINC000274946039 511995682 /nfs/dbraw/zinc/99/56/82/511995682.db2.gz RIIDUDMDZGYWOH-IONNQARKSA-N -1 3 366.208 2.791 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000281884510 511999285 /nfs/dbraw/zinc/99/92/85/511999285.db2.gz DHPROXWNSYRDHX-HNNXBMFYSA-N -1 3 354.859 2.839 20 30 FFEDHM O=C([N-]c1nncn1-c1ccccc1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000329307719 512023997 /nfs/dbraw/zinc/02/39/97/512023997.db2.gz YLPOGNRAYORYQR-CQSZACIVSA-N -1 3 357.439 2.557 20 30 FFEDHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@H]3C=CCCC3)cc(C3CC3)nc21 ZINC000329839358 512102917 /nfs/dbraw/zinc/10/29/17/512102917.db2.gz NTUWUZUXDHWHAS-LBPRGKRZSA-N -1 3 354.410 2.808 20 30 FFEDHM N#Cc1ccc(OC2CCN(CCC[N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000367591138 512574022 /nfs/dbraw/zinc/57/40/22/512574022.db2.gz XWIVPRQCJWYEJJ-UHFFFAOYSA-N -1 3 373.350 2.609 20 30 FFEDHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000390325060 512906300 /nfs/dbraw/zinc/90/63/00/512906300.db2.gz BBBGREBGQAGPHR-UHFFFAOYSA-N -1 3 350.465 2.893 20 30 FFEDHM C[C@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374700816 512962789 /nfs/dbraw/zinc/96/27/89/512962789.db2.gz OJQFFLFMRFBRKL-ZDUSSCGKSA-N -1 3 374.400 2.516 20 30 FFEDHM COc1c([O-])c(CN2CCC(C#N)(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000370535081 512984001 /nfs/dbraw/zinc/98/40/01/512984001.db2.gz WVGUQOCQNWNJKP-UHFFFAOYSA-N -1 3 368.393 2.761 20 30 FFEDHM C=CCc1cc(CNC[C@@H](Oc2ccccc2)C(=O)[O-])cc(OC)c1O ZINC000417638522 513129678 /nfs/dbraw/zinc/12/96/78/513129678.db2.gz JYRGTNWPPKETGN-GOSISDBHSA-N -1 3 357.406 2.751 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)nn1 ZINC000415733221 513402917 /nfs/dbraw/zinc/40/29/17/513402917.db2.gz IHEKUCJOPJLGJZ-GHMZBOCLSA-N -1 3 359.455 2.796 20 30 FFEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)nn1 ZINC000425177147 513439289 /nfs/dbraw/zinc/43/92/89/513439289.db2.gz DWXGSGSVUBRGRA-UHFFFAOYSA-N -1 3 354.863 2.719 20 30 FFEDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435423192 513577600 /nfs/dbraw/zinc/57/76/00/513577600.db2.gz PHJQPWCJJKTGSP-UHFFFAOYSA-N -1 3 350.465 2.884 20 30 FFEDHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1 ZINC000435433617 513585076 /nfs/dbraw/zinc/58/50/76/513585076.db2.gz OMEIRPVUVOWSSK-GUYCJALGSA-N -1 3 364.492 2.528 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000435581795 513624259 /nfs/dbraw/zinc/62/42/59/513624259.db2.gz XQRRWRLWLIHZGT-QMTHXVAHSA-N -1 3 360.819 2.508 20 30 FFEDHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)CC(C)(C)CC#N)nc1C ZINC000451301420 513663927 /nfs/dbraw/zinc/66/39/27/513663927.db2.gz CCKRACNFAPCSMC-NSHDSACASA-N -1 3 373.500 2.549 20 30 FFEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)s1 ZINC000451391721 513719277 /nfs/dbraw/zinc/71/92/77/513719277.db2.gz FDQVWPQATTWGHM-QMMMGPOBSA-N -1 3 356.860 2.606 20 30 FFEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(NC(C)=O)c1OC ZINC000442596324 513742429 /nfs/dbraw/zinc/74/24/29/513742429.db2.gz IQVQLIZYGVWUAE-GFCCVEGCSA-N -1 3 359.407 2.917 20 30 FFEDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)nc1 ZINC000416506380 513807405 /nfs/dbraw/zinc/80/74/05/513807405.db2.gz IKEGVPAMQPVQCV-UHFFFAOYSA-N -1 3 369.368 2.802 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416556323 513832118 /nfs/dbraw/zinc/83/21/18/513832118.db2.gz FQYWCCCGRNPBKQ-UHFFFAOYSA-N -1 3 359.354 2.569 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)cc1 ZINC000443017045 513843467 /nfs/dbraw/zinc/84/34/67/513843467.db2.gz KRKJVCZLIKYKHW-NSHDSACASA-N -1 3 363.370 2.688 20 30 FFEDHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443066357 513860250 /nfs/dbraw/zinc/86/02/50/513860250.db2.gz HLWGPSFOSHSJSM-CHWSQXEVSA-N -1 3 355.891 2.753 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccsc1 ZINC000443098277 513870296 /nfs/dbraw/zinc/87/02/96/513870296.db2.gz XLRPCWZTIDDACE-CQSZACIVSA-N -1 3 369.899 2.854 20 30 FFEDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1[N+](=O)[O-] ZINC000443221789 513904763 /nfs/dbraw/zinc/90/47/63/513904763.db2.gz JXWSXHUTUVUJMK-UHFFFAOYSA-N -1 3 351.428 2.820 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000443266178 513915143 /nfs/dbraw/zinc/91/51/43/513915143.db2.gz NDZBTSYRLSGFBY-CYBMUJFWSA-N -1 3 372.780 2.502 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CCC1 ZINC000443509005 513984547 /nfs/dbraw/zinc/98/45/47/513984547.db2.gz JXETVGZYKAZEFI-UHFFFAOYSA-N -1 3 371.418 2.910 20 30 FFEDHM CO[C@@](C)(C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000451826852 514007495 /nfs/dbraw/zinc/00/74/95/514007495.db2.gz POEISGIXRICSCE-KRWDZBQOSA-N -1 3 350.484 2.942 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000451905232 514059316 /nfs/dbraw/zinc/05/93/16/514059316.db2.gz CFFQBDFKKAIBHI-NEPJUHHUSA-N -1 3 353.337 2.856 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(=O)OCC ZINC000451996284 514121574 /nfs/dbraw/zinc/12/15/74/514121574.db2.gz PPOCHALAFFBNID-CYBMUJFWSA-N -1 3 361.847 2.525 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000452022317 514140848 /nfs/dbraw/zinc/14/08/48/514140848.db2.gz KWELDYPKIVWZFD-SNVBAGLBSA-N -1 3 368.680 2.708 20 30 FFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC)cc(F)c1OC ZINC000432299819 514152214 /nfs/dbraw/zinc/15/22/14/514152214.db2.gz GMUCYHKYIQXNCU-UHFFFAOYSA-N -1 3 373.446 2.892 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1(O)CCCC1 ZINC000452044525 514158274 /nfs/dbraw/zinc/15/82/74/514158274.db2.gz JCKLIUSBNAMTHB-UHFFFAOYSA-N -1 3 356.875 2.821 20 30 FFEDHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000432342698 514167075 /nfs/dbraw/zinc/16/70/75/514167075.db2.gz MPMRAMDCJLSTCY-UHFFFAOYSA-N -1 3 354.447 2.959 20 30 FFEDHM CCO[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000445001423 514385254 /nfs/dbraw/zinc/38/52/54/514385254.db2.gz ZDYCYUHDKBHOQO-GOSISDBHSA-N -1 3 362.426 2.895 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCSc1ccc(Cl)cc1 ZINC000428257795 514434751 /nfs/dbraw/zinc/43/47/51/514434751.db2.gz BRWDUNQXPWCENH-UHFFFAOYSA-N -1 3 353.856 2.677 20 30 FFEDHM Cc1cccc(O[C@@H]2CCCC[C@@H]2[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428373132 514460315 /nfs/dbraw/zinc/46/03/15/514460315.db2.gz KOYPIAUCAVLIIS-FUHWJXTLSA-N -1 3 371.462 2.930 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)c2ccc(F)cc2O1 ZINC000428409861 514470014 /nfs/dbraw/zinc/47/00/14/514470014.db2.gz NXZTXGJJKJBESR-CYBMUJFWSA-N -1 3 361.398 2.673 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000439008700 514482756 /nfs/dbraw/zinc/48/27/56/514482756.db2.gz JWLBRCYZQCUZKW-INIZCTEOSA-N -1 3 362.393 2.780 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000439008700 514482760 /nfs/dbraw/zinc/48/27/60/514482760.db2.gz JWLBRCYZQCUZKW-INIZCTEOSA-N -1 3 362.393 2.780 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000439008700 514482763 /nfs/dbraw/zinc/48/27/63/514482763.db2.gz JWLBRCYZQCUZKW-INIZCTEOSA-N -1 3 362.393 2.780 20 30 FFEDHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000445754807 514517004 /nfs/dbraw/zinc/51/70/04/514517004.db2.gz CEWNYEABXGMFIJ-INIZCTEOSA-N -1 3 356.875 2.821 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCCOc1ccc(C(=O)OC)cc1Cl ZINC000470828036 514631989 /nfs/dbraw/zinc/63/19/89/514631989.db2.gz QUQWUXGFVGMSCM-UHFFFAOYSA-N -1 3 369.830 2.781 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000508069827 514654864 /nfs/dbraw/zinc/65/48/64/514654864.db2.gz UBUDEZKSNKOUMW-GFCCVEGCSA-N -1 3 370.780 2.956 20 30 FFEDHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475532431 514705476 /nfs/dbraw/zinc/70/54/76/514705476.db2.gz PBFMXCNTLPIRMG-UHFFFAOYSA-N -1 3 363.483 2.635 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000475570899 514719133 /nfs/dbraw/zinc/71/91/33/514719133.db2.gz KJIAYCMNNGNSEI-UHFFFAOYSA-N -1 3 369.874 2.672 20 30 FFEDHM Cc1nc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c(Cl)cc1C#N ZINC000461783967 514737321 /nfs/dbraw/zinc/73/73/21/514737321.db2.gz HFUIUGMDQGNDPU-GOSISDBHSA-N -1 3 369.812 2.582 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)c1 ZINC000475796990 514814014 /nfs/dbraw/zinc/81/40/14/514814014.db2.gz YZUAYZTXUZXJFI-CYBMUJFWSA-N -1 3 372.780 2.502 20 30 FFEDHM C=Cc1ccc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000462118447 514894863 /nfs/dbraw/zinc/89/48/63/514894863.db2.gz BIMOBPVBJXJPOE-UHFFFAOYSA-N -1 3 357.391 2.630 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](Cc1ccccc1Cl)C(=O)OCC ZINC000489624879 514920383 /nfs/dbraw/zinc/92/03/83/514920383.db2.gz IZXWOWKVUZYQPZ-OAHLLOKOSA-N -1 3 359.875 2.700 20 30 FFEDHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503447199 515037062 /nfs/dbraw/zinc/03/70/62/515037062.db2.gz KAJTVUDINFBNRX-JTQLQIEISA-N -1 3 358.847 2.610 20 30 FFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 ZINC000490564305 515248930 /nfs/dbraw/zinc/24/89/30/515248930.db2.gz CMEVNHBIFAPMBC-UHFFFAOYSA-N -1 3 353.831 2.939 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)cn1 ZINC000509746939 515310161 /nfs/dbraw/zinc/31/01/61/515310161.db2.gz RYQYQHRSXYGHQZ-AWEZNQCLSA-N -1 3 355.341 2.925 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1C ZINC000499455466 515331644 /nfs/dbraw/zinc/33/16/44/515331644.db2.gz NFYDSVUUFIPHMJ-SNVBAGLBSA-N -1 3 351.284 2.716 20 30 FFEDHM C=CCCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000468402111 515342075 /nfs/dbraw/zinc/34/20/75/515342075.db2.gz ODFLOFFZJJTQBU-UHFFFAOYSA-N -1 3 372.469 2.973 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cccc([O-])c3Br)CC2)nc1 ZINC000459301279 515457213 /nfs/dbraw/zinc/45/72/13/515457213.db2.gz CKLODFCRLXQSSO-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000486598837 515554765 /nfs/dbraw/zinc/55/47/65/515554765.db2.gz FIZNTOVSUIKJSL-NXEZZACHSA-N -1 3 367.862 2.883 20 30 FFEDHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000510561551 515588611 /nfs/dbraw/zinc/58/86/11/515588611.db2.gz XEEZBRATNZKLKY-KCJUWKMLSA-N -1 3 350.387 2.607 20 30 FFEDHM N#Cc1cccc(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482189374 515601868 /nfs/dbraw/zinc/60/18/68/515601868.db2.gz WVMCWQLNROHNPY-UHFFFAOYSA-N -1 3 370.210 2.712 20 30 FFEDHM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000493364622 515625927 /nfs/dbraw/zinc/62/59/27/515625927.db2.gz OWJGUABTQJIYFR-UHFFFAOYSA-N -1 3 362.382 2.902 20 30 FFEDHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000510778108 515665059 /nfs/dbraw/zinc/66/50/59/515665059.db2.gz DOIAMGTUGUIBSM-NSHDSACASA-N -1 3 361.398 2.560 20 30 FFEDHM C=CCN1CCC(NC(=O)N=c2nc(-c3sccc3C)[n-]s2)CC1 ZINC000473829832 515766054 /nfs/dbraw/zinc/76/60/54/515766054.db2.gz PCNAMLSZRAADKN-UHFFFAOYSA-N -1 3 363.512 2.769 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c(F)c1 ZINC000511411844 515894549 /nfs/dbraw/zinc/89/45/49/515894549.db2.gz PEDFHGGTNDPYHH-UHFFFAOYSA-N -1 3 350.337 2.849 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469635243 515899216 /nfs/dbraw/zinc/89/92/16/515899216.db2.gz WAHMEIAHDSUYTO-LURJTMIESA-N -1 3 354.591 2.586 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469635243 515899223 /nfs/dbraw/zinc/89/92/23/515899223.db2.gz WAHMEIAHDSUYTO-LURJTMIESA-N -1 3 354.591 2.586 20 30 FFEDHM N#CCC[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000483194387 515978553 /nfs/dbraw/zinc/97/85/53/515978553.db2.gz HLTVPBIULZQDKS-LLVKDONJSA-N -1 3 352.320 2.668 20 30 FFEDHM N#CCC[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000483194387 515978557 /nfs/dbraw/zinc/97/85/57/515978557.db2.gz HLTVPBIULZQDKS-LLVKDONJSA-N -1 3 352.320 2.668 20 30 FFEDHM N#CCC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000483194387 515978559 /nfs/dbraw/zinc/97/85/59/515978559.db2.gz HLTVPBIULZQDKS-LLVKDONJSA-N -1 3 352.320 2.668 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)CCCC1 ZINC000543620573 516332545 /nfs/dbraw/zinc/33/25/45/516332545.db2.gz WNBSKNUPBQWXFQ-ZDUSSCGKSA-N -1 3 360.838 2.516 20 30 FFEDHM N#CC(=C([O-])c1cccc([C@@H]2CCOC2)c1)c1nnc2n1CCCCC2 ZINC000535638136 516430781 /nfs/dbraw/zinc/43/07/81/516430781.db2.gz NAJSPQWBOZPKMK-IAGOWNOFSA-N -1 3 350.422 2.998 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000517756851 516440527 /nfs/dbraw/zinc/44/05/27/516440527.db2.gz MHBURVYMJLDGGV-CYBMUJFWSA-N -1 3 373.210 2.817 20 30 FFEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557812347 516451772 /nfs/dbraw/zinc/45/17/72/516451772.db2.gz SJKMXSIQBNDEFI-UHFFFAOYSA-N -1 3 368.256 2.969 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)s1 ZINC000528460530 516454612 /nfs/dbraw/zinc/45/46/12/516454612.db2.gz DSXLWUDBUAKZBM-VHDGCEQUSA-N -1 3 350.852 2.890 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551213987 516609047 /nfs/dbraw/zinc/60/90/47/516609047.db2.gz LMTLJFMGOOJYGA-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM CC[C@H](CSC)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561531258 516635554 /nfs/dbraw/zinc/63/55/54/516635554.db2.gz PBVYVHAMVXOGRS-SECBINFHSA-N -1 3 363.302 2.741 20 30 FFEDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000561562314 516654859 /nfs/dbraw/zinc/65/48/59/516654859.db2.gz NXDJTKALYGCAAP-CQSZACIVSA-N -1 3 362.426 2.971 20 30 FFEDHM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000561694836 516720118 /nfs/dbraw/zinc/72/01/18/516720118.db2.gz CKOBGVQAXJHHDR-UHFFFAOYSA-N -1 3 361.398 2.590 20 30 FFEDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCO1 ZINC000540894783 516759097 /nfs/dbraw/zinc/75/90/97/516759097.db2.gz LCKZMHGKBZUBEV-GOEBONIOSA-N -1 3 354.447 2.959 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]2CCCO[C@@H]21 ZINC000548122705 516777413 /nfs/dbraw/zinc/77/74/13/516777413.db2.gz WCDGLNYRVJHWFX-DFBGVHRSSA-N -1 3 354.859 2.694 20 30 FFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000514751611 517038216 /nfs/dbraw/zinc/03/82/16/517038216.db2.gz GFKCDWVDPARWAY-NSHDSACASA-N -1 3 360.863 2.940 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)C(C)(C)C(=O)N4)nc1-2 ZINC000532858460 517171730 /nfs/dbraw/zinc/17/17/30/517171730.db2.gz DQNVGHPAIDQGQG-GFCCVEGCSA-N -1 3 359.389 2.986 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000555948113 517200974 /nfs/dbraw/zinc/20/09/74/517200974.db2.gz VEVAWRKMYOIQOZ-UHFFFAOYSA-N -1 3 357.254 2.861 20 30 FFEDHM CC(=O)c1cccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000552505924 517287870 /nfs/dbraw/zinc/28/78/70/517287870.db2.gz ZWJYRGHLOZXRFC-UHFFFAOYSA-N -1 3 351.406 2.727 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)CCC1 ZINC000556311704 517363789 /nfs/dbraw/zinc/36/37/89/517363789.db2.gz QBTDOVQOWHCYLF-AWEZNQCLSA-N -1 3 354.497 2.565 20 30 FFEDHM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552780610 517389325 /nfs/dbraw/zinc/38/93/25/517389325.db2.gz ICUUOEKPPMUSHP-UHFFFAOYSA-N -1 3 366.826 2.762 20 30 FFEDHM N#Cc1cccc(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000542690607 517688663 /nfs/dbraw/zinc/68/86/63/517688663.db2.gz MHFIHWYGSKMZCH-HNNXBMFYSA-N -1 3 368.817 2.504 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC000516770283 517836243 /nfs/dbraw/zinc/83/62/43/517836243.db2.gz DAQXYVFRORVXFS-IBGZPJMESA-N -1 3 356.447 2.648 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3F)CCC2)n1 ZINC000530616513 517883552 /nfs/dbraw/zinc/88/35/52/517883552.db2.gz UOCUIPPWGUMNMU-UHFFFAOYSA-N -1 3 351.428 2.820 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CC(OCc2ccccc2)C1 ZINC000547331032 518083904 /nfs/dbraw/zinc/08/39/04/518083904.db2.gz AJNZXRZNMGLIRJ-UHFFFAOYSA-N -1 3 360.410 2.723 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCC2)c(F)c1 ZINC000517273063 518102368 /nfs/dbraw/zinc/10/23/68/518102368.db2.gz PFKSTOJSJMTULB-GOSISDBHSA-N -1 3 374.437 2.880 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CC[C@H](C)O3)no2)ccc1F ZINC000528248414 518155102 /nfs/dbraw/zinc/15/51/02/518155102.db2.gz SPEHJJUEXKYVKA-GXFFZTMASA-N -1 3 367.402 2.580 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000566828444 518219917 /nfs/dbraw/zinc/21/99/17/518219917.db2.gz OGVOBOPHLDCKSF-XHDPSFHLSA-N -1 3 374.890 2.970 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)cc1 ZINC000584373145 518307773 /nfs/dbraw/zinc/30/77/73/518307773.db2.gz AERNBQCQDVUUBN-UHFFFAOYSA-N -1 3 358.316 2.734 20 30 FFEDHM COC(=O)c1cccc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1O ZINC000572808254 518368665 /nfs/dbraw/zinc/36/86/65/518368665.db2.gz UCZBVXZTENWNNG-UHFFFAOYSA-N -1 3 363.329 2.958 20 30 FFEDHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000572923907 518421897 /nfs/dbraw/zinc/42/18/97/518421897.db2.gz UWEJQHYMKAFOHM-UHFFFAOYSA-N -1 3 370.459 2.864 20 30 FFEDHM COC(=O)CCS(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000581916618 518500354 /nfs/dbraw/zinc/50/03/54/518500354.db2.gz HUZCPISDJCSOBA-UHFFFAOYSA-N -1 3 360.391 2.655 20 30 FFEDHM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)CC3 ZINC000567667328 518641689 /nfs/dbraw/zinc/64/16/89/518641689.db2.gz HFUWTDSXKSAJLO-CYBMUJFWSA-N -1 3 366.446 2.579 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000590165955 519165566 /nfs/dbraw/zinc/16/55/66/519165566.db2.gz KOIYKQHUUAPUBL-LLVKDONJSA-N -1 3 361.370 2.791 20 30 FFEDHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(F)cc1C ZINC000580471446 519192641 /nfs/dbraw/zinc/19/26/41/519192641.db2.gz SFNDXNIGKWOPTA-UHFFFAOYSA-N -1 3 362.382 2.983 20 30 FFEDHM N#CC1(CSc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)CCC1 ZINC000566050322 519265075 /nfs/dbraw/zinc/26/50/75/519265075.db2.gz YFHJETALZLYGSD-UHFFFAOYSA-N -1 3 369.450 2.890 20 30 FFEDHM COCC1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000584110474 519596110 /nfs/dbraw/zinc/59/61/10/519596110.db2.gz DWYQOJCOBCVRQP-UHFFFAOYSA-N -1 3 362.373 2.672 20 30 FFEDHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000581271526 519607723 /nfs/dbraw/zinc/60/77/23/519607723.db2.gz CZXRADQYMANYFU-KBXCAEBGSA-N -1 3 373.453 2.639 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000594490286 520000229 /nfs/dbraw/zinc/00/02/29/520000229.db2.gz SMAHVWONJMDKJK-OCCSQVGLSA-N -1 3 362.373 2.531 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)CC(C)C)c1 ZINC000612535320 520008770 /nfs/dbraw/zinc/00/87/70/520008770.db2.gz MECMWVYJWNSCRT-ZDUSSCGKSA-N -1 3 356.382 2.609 20 30 FFEDHM N#CCn1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc2ccccc21 ZINC000591862594 520064533 /nfs/dbraw/zinc/06/45/33/520064533.db2.gz XQLGHOPNRAPJCU-HNNXBMFYSA-N -1 3 358.405 2.973 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@H]1CCCCO1 ZINC000594749838 520131900 /nfs/dbraw/zinc/13/19/00/520131900.db2.gz BBHVMPPWKUSPCB-ZDUSSCGKSA-N -1 3 350.465 2.929 20 30 FFEDHM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594759287 520138274 /nfs/dbraw/zinc/13/82/74/520138274.db2.gz NINFPGKPGHVFLU-MRXNPFEDSA-N -1 3 352.481 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)c1cnn(C)c1 ZINC000594760633 520141034 /nfs/dbraw/zinc/14/10/34/520141034.db2.gz UVJHDTMCCQOKHW-LLVKDONJSA-N -1 3 360.464 2.854 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO ZINC000594770521 520148117 /nfs/dbraw/zinc/14/81/17/520148117.db2.gz JPEFCFDWXZVMSQ-UKRRQHHQSA-N -1 3 364.492 2.911 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592048114 520154204 /nfs/dbraw/zinc/15/42/04/520154204.db2.gz GRRCWJKQNGDJKP-CQSZACIVSA-N -1 3 367.352 2.938 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000594815536 520170291 /nfs/dbraw/zinc/17/02/91/520170291.db2.gz VBQMZKOTNDLHML-UHFFFAOYSA-N -1 3 363.888 2.714 20 30 FFEDHM Cc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c([O-])c1C ZINC000608990182 520173504 /nfs/dbraw/zinc/17/35/04/520173504.db2.gz SUNMGPWRLXFAKQ-UHFFFAOYSA-N -1 3 350.422 2.675 20 30 FFEDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000600668627 520387092 /nfs/dbraw/zinc/38/70/92/520387092.db2.gz RLOAMZVZJMKDAI-QGTPRVQTSA-N -1 3 368.474 2.775 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)cn1CC1CC1 ZINC000595317021 520405284 /nfs/dbraw/zinc/40/52/84/520405284.db2.gz KVPSLOXYWUJEGR-ZDUSSCGKSA-N -1 3 358.467 2.767 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)nc1n(c2=O)CCC1)c1nc2ccccc2[nH]1 ZINC000613287380 520429923 /nfs/dbraw/zinc/42/99/23/520429923.db2.gz NFMYSDJFUKUVKC-AWEZNQCLSA-N -1 3 369.384 2.709 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000595377749 520438163 /nfs/dbraw/zinc/43/81/63/520438163.db2.gz UBMUJRLGGGQUEL-QGZVFWFLSA-N -1 3 354.447 2.712 20 30 FFEDHM C=CCCC1(CNC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CCCC1 ZINC000617416895 520487132 /nfs/dbraw/zinc/48/71/32/520487132.db2.gz BSYZCMZNOYSETP-UHFFFAOYSA-N -1 3 354.472 2.753 20 30 FFEDHM C[C@]1(C#N)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000598411843 520603487 /nfs/dbraw/zinc/60/34/87/520603487.db2.gz KCHXLAXZOJVNRM-MRXNPFEDSA-N -1 3 360.211 2.666 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)cn1CC1CC1 ZINC000596043654 520873723 /nfs/dbraw/zinc/87/37/23/520873723.db2.gz BIHCQMKELZAYPY-SUMWQHHRSA-N -1 3 350.488 2.606 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1F ZINC000610871155 520883542 /nfs/dbraw/zinc/88/35/42/520883542.db2.gz LIRLUCKKNAVRNU-ZDUSSCGKSA-N -1 3 351.337 2.989 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000614297781 520896613 /nfs/dbraw/zinc/89/66/13/520896613.db2.gz ANEVCTGVGTWSBT-UHFFFAOYSA-N -1 3 355.463 2.967 20 30 FFEDHM Cn1ncc(C#N)c1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000596080491 520900349 /nfs/dbraw/zinc/90/03/49/520900349.db2.gz GGPLWQFGDWAZGS-UHFFFAOYSA-N -1 3 359.817 2.506 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCc2cc(O)ccc2C1 ZINC000618180252 520921682 /nfs/dbraw/zinc/92/16/82/520921682.db2.gz SMNCATXAACZZOZ-ZDUSSCGKSA-N -1 3 362.838 2.753 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000611017919 520949606 /nfs/dbraw/zinc/94/96/06/520949606.db2.gz VWTOEFNSHHICRR-MRXNPFEDSA-N -1 3 362.838 2.804 20 30 FFEDHM COC(=O)C(C)(C)[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000611026662 520952088 /nfs/dbraw/zinc/95/20/88/520952088.db2.gz MEMIGTVHXGYPOI-QGZVFWFLSA-N -1 3 372.446 2.777 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCOCC1 ZINC000593551284 521070615 /nfs/dbraw/zinc/07/06/15/521070615.db2.gz BPXCHYBYXKHQEZ-UHFFFAOYSA-N -1 3 366.439 2.743 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1SCCc2ccccc21 ZINC000593560314 521077258 /nfs/dbraw/zinc/07/72/58/521077258.db2.gz DDJWJMPBBOONIZ-AWEZNQCLSA-N -1 3 350.490 2.929 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599502603 521262602 /nfs/dbraw/zinc/26/26/02/521262602.db2.gz AGABWPKLKLAXSV-UHFFFAOYSA-N -1 3 362.373 2.968 20 30 FFEDHM CCc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c([O-])c1 ZINC000615691112 521503850 /nfs/dbraw/zinc/50/38/50/521503850.db2.gz QKELNTSBRUDGLL-UHFFFAOYSA-N -1 3 366.421 2.654 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(Br)c1 ZINC000594257278 521513754 /nfs/dbraw/zinc/51/37/54/521513754.db2.gz DHKVODZKCSSIKQ-ZDUSSCGKSA-N -1 3 373.210 2.817 20 30 FFEDHM COc1c(C[N-]S(=O)(=O)c2cccc(CC#N)c2)oc2ccccc21 ZINC000619499204 521598558 /nfs/dbraw/zinc/59/85/58/521598558.db2.gz OHZLVSBPGHLGGS-UHFFFAOYSA-N -1 3 356.403 2.986 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000619752784 521854952 /nfs/dbraw/zinc/85/49/52/521854952.db2.gz WOAQEEMPRUQKBN-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000472967026 561038946 /nfs/dbraw/zinc/03/89/46/561038946.db2.gz BPOSMDRAGWAUSO-MRXNPFEDSA-N -1 3 370.409 2.793 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735408065 598876689 /nfs/dbraw/zinc/87/66/89/598876689.db2.gz FJNISECSYSVRPK-UHFFFAOYSA-N -1 3 369.878 2.887 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735408065 598876691 /nfs/dbraw/zinc/87/66/91/598876691.db2.gz FJNISECSYSVRPK-UHFFFAOYSA-N -1 3 369.878 2.887 20 30 FFEDHM COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737047283 598922279 /nfs/dbraw/zinc/92/22/79/598922279.db2.gz KLIZXSWJKWPSTE-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737047283 598922281 /nfs/dbraw/zinc/92/22/81/598922281.db2.gz KLIZXSWJKWPSTE-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000737306566 598928001 /nfs/dbraw/zinc/92/80/01/598928001.db2.gz CYHXWTLDLUKZFC-UHFFFAOYSA-N -1 3 374.404 2.957 20 30 FFEDHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C ZINC000737306566 598928003 /nfs/dbraw/zinc/92/80/03/598928003.db2.gz CYHXWTLDLUKZFC-UHFFFAOYSA-N -1 3 374.404 2.957 20 30 FFEDHM COC(=O)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821668608 599110889 /nfs/dbraw/zinc/11/08/89/599110889.db2.gz AKFVDURPZLOGNQ-XNTDXEJSSA-N -1 3 360.373 2.866 20 30 FFEDHM COC(=O)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821668608 599110892 /nfs/dbraw/zinc/11/08/92/599110892.db2.gz AKFVDURPZLOGNQ-XNTDXEJSSA-N -1 3 360.373 2.866 20 30 FFEDHM Cc1c(C(=O)C=Cc2nccs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202999 599157320 /nfs/dbraw/zinc/15/73/20/599157320.db2.gz QPKOICPVCISAMD-VOTSOKGWSA-N -1 3 363.406 2.713 20 30 FFEDHM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737215475 599197770 /nfs/dbraw/zinc/19/77/70/599197770.db2.gz IUABJVUMVVUKTP-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737215475 599197772 /nfs/dbraw/zinc/19/77/72/599197772.db2.gz IUABJVUMVVUKTP-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736172678 599199150 /nfs/dbraw/zinc/19/91/50/599199150.db2.gz BSVQNPQWQHCKJN-LBPRGKRZSA-N -1 3 374.404 2.633 20 30 FFEDHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736172678 599199152 /nfs/dbraw/zinc/19/91/52/599199152.db2.gz BSVQNPQWQHCKJN-LBPRGKRZSA-N -1 3 374.404 2.633 20 30 FFEDHM C=CCCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OCC ZINC000735408805 598325118 /nfs/dbraw/zinc/32/51/18/598325118.db2.gz RMCPUDHBDMEAAN-UHFFFAOYSA-N -1 3 367.203 2.900 20 30 FFEDHM C=CCCC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OCC ZINC000735408805 598325120 /nfs/dbraw/zinc/32/51/20/598325120.db2.gz RMCPUDHBDMEAAN-UHFFFAOYSA-N -1 3 367.203 2.900 20 30 FFEDHM CCCC(C#N)(CCC)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736414917 598383048 /nfs/dbraw/zinc/38/30/48/598383048.db2.gz ASFLCJUCWQNDLH-CYBMUJFWSA-N -1 3 356.430 2.613 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735401984 598444710 /nfs/dbraw/zinc/44/47/10/598444710.db2.gz CQJHAWVMFKFYLY-UHFFFAOYSA-N -1 3 365.393 2.839 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735401984 598444711 /nfs/dbraw/zinc/44/47/11/598444711.db2.gz CQJHAWVMFKFYLY-UHFFFAOYSA-N -1 3 365.393 2.839 20 30 FFEDHM N#Cc1ccc(CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000737711871 598478469 /nfs/dbraw/zinc/47/84/69/598478469.db2.gz MEWWJUAYQCGGSG-UHFFFAOYSA-N -1 3 373.420 2.613 20 30 FFEDHM N#Cc1ccc(CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000737711871 598478470 /nfs/dbraw/zinc/47/84/70/598478470.db2.gz MEWWJUAYQCGGSG-UHFFFAOYSA-N -1 3 373.420 2.613 20 30 FFEDHM C#CCOc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380839 598494449 /nfs/dbraw/zinc/49/44/49/598494449.db2.gz MRUVWKLFMWECDM-UHFFFAOYSA-N -1 3 365.418 2.610 20 30 FFEDHM C#CCOc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380839 598494450 /nfs/dbraw/zinc/49/44/50/598494450.db2.gz MRUVWKLFMWECDM-UHFFFAOYSA-N -1 3 365.418 2.610 20 30 FFEDHM CCOc1ccc(N(CCC#N)C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000736644373 598536053 /nfs/dbraw/zinc/53/60/53/598536053.db2.gz JUXUJGOWEMDKBU-UHFFFAOYSA-N -1 3 368.422 2.887 20 30 FFEDHM CCOc1ccc(N(CCC#N)C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000736644373 598536054 /nfs/dbraw/zinc/53/60/54/598536054.db2.gz JUXUJGOWEMDKBU-UHFFFAOYSA-N -1 3 368.422 2.887 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC[C@@H]1CCCc2ccccc21 ZINC000737703818 598547135 /nfs/dbraw/zinc/54/71/35/598547135.db2.gz BUFNQTMIKZRBBA-LBPRGKRZSA-N -1 3 363.450 2.928 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC[C@@H]1CCCc2ccccc21 ZINC000737703818 598547137 /nfs/dbraw/zinc/54/71/37/598547137.db2.gz BUFNQTMIKZRBBA-LBPRGKRZSA-N -1 3 363.450 2.928 20 30 FFEDHM N#CCCCCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737686865 598558214 /nfs/dbraw/zinc/55/82/14/598558214.db2.gz FDRXQMAGCINAIS-UHFFFAOYSA-N -1 3 367.365 2.889 20 30 FFEDHM CCC[C@@H](C#N)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736415217 598611452 /nfs/dbraw/zinc/61/14/52/598611452.db2.gz DPRIDMOSYIDBEX-HNNXBMFYSA-N -1 3 363.425 2.696 20 30 FFEDHM C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120688 598817097 /nfs/dbraw/zinc/81/70/97/598817097.db2.gz ZTAMUAKQVZVHAX-CYBMUJFWSA-N -1 3 371.404 2.836 20 30 FFEDHM C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120688 598817100 /nfs/dbraw/zinc/81/71/00/598817100.db2.gz ZTAMUAKQVZVHAX-CYBMUJFWSA-N -1 3 371.404 2.836 20 30 FFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)ccc1OC ZINC000821412137 607370349 /nfs/dbraw/zinc/37/03/49/607370349.db2.gz IQFVWRAHHLIJAC-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)ccc1OC ZINC000821412137 607370352 /nfs/dbraw/zinc/37/03/52/607370352.db2.gz IQFVWRAHHLIJAC-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM C[C@@H](NC(=O)c1ccccc1SCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820397458 599526246 /nfs/dbraw/zinc/52/62/46/599526246.db2.gz PCZYJZZPKFFOFB-GFCCVEGCSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@@H](NC(=O)c1ccccc1SCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820397458 599526248 /nfs/dbraw/zinc/52/62/48/599526248.db2.gz PCZYJZZPKFFOFB-GFCCVEGCSA-N -1 3 364.434 2.973 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OC3CCC3)cc2)ccc1-c1nnn[n-]1 ZINC000822822859 599631516 /nfs/dbraw/zinc/63/15/16/599631516.db2.gz FRQMBZQXIOGWHI-UHFFFAOYSA-N -1 3 360.377 2.922 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OC3CCC3)cc2)ccc1-c1nn[n-]n1 ZINC000822822859 599631517 /nfs/dbraw/zinc/63/15/17/599631517.db2.gz FRQMBZQXIOGWHI-UHFFFAOYSA-N -1 3 360.377 2.922 20 30 FFEDHM N#CC(C(=O)CCCNC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000739074756 599799002 /nfs/dbraw/zinc/79/90/02/599799002.db2.gz LOUCAUBIQLNVEJ-NSHDSACASA-N -1 3 358.181 2.689 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(C#N)s2)cc1-c1nnn[n-]1 ZINC000820170242 607394790 /nfs/dbraw/zinc/39/47/90/607394790.db2.gz VOKWVGUXMAZXTO-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(C#N)s2)cc1-c1nn[n-]n1 ZINC000820170242 607394793 /nfs/dbraw/zinc/39/47/93/607394793.db2.gz VOKWVGUXMAZXTO-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1C#N ZINC000820170077 607400239 /nfs/dbraw/zinc/40/02/39/607400239.db2.gz PFPMIXLOUSEPQN-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1C#N ZINC000820170077 607400241 /nfs/dbraw/zinc/40/02/41/607400241.db2.gz PFPMIXLOUSEPQN-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000736095145 599994782 /nfs/dbraw/zinc/99/47/82/599994782.db2.gz KYHMQFMGPVAVRU-UHFFFAOYSA-N -1 3 353.369 2.825 20 30 FFEDHM CC(C)CN(CCC(=O)[O-])CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736433142 600090244 /nfs/dbraw/zinc/09/02/44/600090244.db2.gz ZVYGUNGUHIKIDQ-CYBMUJFWSA-N -1 3 359.451 2.905 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826386478 607424203 /nfs/dbraw/zinc/42/42/03/607424203.db2.gz GVZFVMWUSKAKLV-HJWRWDBZSA-N -1 3 356.389 2.557 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826386478 607424204 /nfs/dbraw/zinc/42/42/04/607424204.db2.gz GVZFVMWUSKAKLV-HJWRWDBZSA-N -1 3 356.389 2.557 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CO2 ZINC000821850178 607458234 /nfs/dbraw/zinc/45/82/34/607458234.db2.gz XXDYGGGYXPGQPO-SDQBBNPISA-N -1 3 352.325 2.673 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CO2 ZINC000821850178 607458236 /nfs/dbraw/zinc/45/82/36/607458236.db2.gz XXDYGGGYXPGQPO-SDQBBNPISA-N -1 3 352.325 2.673 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)cc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016388 607460033 /nfs/dbraw/zinc/46/00/33/607460033.db2.gz ZPEWBZJJNAATRG-VOTSOKGWSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)cc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016388 607460035 /nfs/dbraw/zinc/46/00/35/607460035.db2.gz ZPEWBZJJNAATRG-VOTSOKGWSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(C#N)c2n1CCC2 ZINC000822015990 607460182 /nfs/dbraw/zinc/46/01/82/607460182.db2.gz RTSKHXFCIPKRGK-SREVYHEPSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(C#N)c2n1CCC2 ZINC000822015990 607460183 /nfs/dbraw/zinc/46/01/83/607460183.db2.gz RTSKHXFCIPKRGK-SREVYHEPSA-N -1 3 362.368 2.830 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830109891 601236177 /nfs/dbraw/zinc/23/61/77/601236177.db2.gz QPJWCBWOMQGDCI-HZSPNIEDSA-N -1 3 358.394 2.624 20 30 FFEDHM CCN(CC)C(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829658518 601300877 /nfs/dbraw/zinc/30/08/77/601300877.db2.gz ILKUDQHKNHUTQK-IBGZPJMESA-N -1 3 365.433 2.956 20 30 FFEDHM N#Cc1cccc([C@H](NCc2ccc(N3CCCCC3=O)cc2)C(=O)[O-])c1 ZINC000833076141 601302532 /nfs/dbraw/zinc/30/25/32/601302532.db2.gz QQVIRFDGGXTCJQ-FQEVSTJZSA-N -1 3 363.417 2.991 20 30 FFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000833074506 601310681 /nfs/dbraw/zinc/31/06/81/601310681.db2.gz ZIXMCMONNUKRGT-LJQANCHMSA-N -1 3 363.417 2.578 20 30 FFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000833074505 601310841 /nfs/dbraw/zinc/31/08/41/601310841.db2.gz ZIXMCMONNUKRGT-IBGZPJMESA-N -1 3 363.417 2.578 20 30 FFEDHM Cc1cccc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c1-c1nnn[n-]1 ZINC000826304069 607538111 /nfs/dbraw/zinc/53/81/11/607538111.db2.gz UXRCZEQOHLCTCF-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C(C)C)nn1C ZINC000819745607 606102734 /nfs/dbraw/zinc/10/27/34/606102734.db2.gz LUDVXPAUMADLSX-UHFFFAOYSA-N -1 3 365.441 2.552 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C(C)C)nn1C ZINC000819745607 606102737 /nfs/dbraw/zinc/10/27/37/606102737.db2.gz LUDVXPAUMADLSX-UHFFFAOYSA-N -1 3 365.441 2.552 20 30 FFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000819743112 606213050 /nfs/dbraw/zinc/21/30/50/606213050.db2.gz CTCLSSMADOFKQN-UHFFFAOYSA-N -1 3 362.846 2.749 20 30 FFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000819743112 606213053 /nfs/dbraw/zinc/21/30/53/606213053.db2.gz CTCLSSMADOFKQN-UHFFFAOYSA-N -1 3 362.846 2.749 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820380040 606355916 /nfs/dbraw/zinc/35/59/16/606355916.db2.gz KATAXXOWSDLLCL-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820380040 606355918 /nfs/dbraw/zinc/35/59/18/606355918.db2.gz KATAXXOWSDLLCL-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM COc1cccc([C@@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1 ZINC000821859786 606360697 /nfs/dbraw/zinc/36/06/97/606360697.db2.gz SMFFCZRTOQUQAJ-SECBINFHSA-N -1 3 353.411 2.577 20 30 FFEDHM COc1cccc([C@@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1 ZINC000821859786 606360699 /nfs/dbraw/zinc/36/06/99/606360699.db2.gz SMFFCZRTOQUQAJ-SECBINFHSA-N -1 3 353.411 2.577 20 30 FFEDHM N#C[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000822800943 606363636 /nfs/dbraw/zinc/36/36/36/606363636.db2.gz BFQKUTWFUPXAOV-MRXNPFEDSA-N -1 3 370.482 2.689 20 30 FFEDHM N#C[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000822800943 606363638 /nfs/dbraw/zinc/36/36/38/606363638.db2.gz BFQKUTWFUPXAOV-MRXNPFEDSA-N -1 3 370.482 2.689 20 30 FFEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822345485 606369211 /nfs/dbraw/zinc/36/92/11/606369211.db2.gz KCGCOUKKSOXSPK-UHFFFAOYSA-N -1 3 368.451 2.666 20 30 FFEDHM COc1ccccc1N=C1NN=C(c2ccc(-c3nnn[n-]3)cc2)CS1 ZINC000821897164 606631861 /nfs/dbraw/zinc/63/18/61/606631861.db2.gz FFQJOMSLNKFCKM-UHFFFAOYSA-N -1 3 365.422 2.604 20 30 FFEDHM COc1ccccc1N=C1NN=C(c2ccc(-c3nn[n-]n3)cc2)CS1 ZINC000821897164 606631863 /nfs/dbraw/zinc/63/18/63/606631863.db2.gz FFQJOMSLNKFCKM-UHFFFAOYSA-N -1 3 365.422 2.604 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c(F)cccc1F ZINC000819743106 606674789 /nfs/dbraw/zinc/67/47/89/606674789.db2.gz CPHBUNVVEDNCTP-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c(F)cccc1F ZINC000819743106 606674790 /nfs/dbraw/zinc/67/47/90/606674790.db2.gz CPHBUNVVEDNCTP-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000822160655 606710421 /nfs/dbraw/zinc/71/04/21/606710421.db2.gz JWKGUYABQNNPNM-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C)CC#N)cc1 ZINC000822135460 606790000 /nfs/dbraw/zinc/79/00/00/606790000.db2.gz AXXFBUUKQJUHIJ-ZDUSSCGKSA-N -1 3 362.393 2.999 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H](C)CC#N)cc1 ZINC000822135460 606790002 /nfs/dbraw/zinc/79/00/02/606790002.db2.gz AXXFBUUKQJUHIJ-ZDUSSCGKSA-N -1 3 362.393 2.999 20 30 FFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000819773539 607035722 /nfs/dbraw/zinc/03/57/22/607035722.db2.gz TYCWXUVAFYASDP-UHFFFAOYSA-N -1 3 361.409 2.933 20 30 FFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000819773539 607035724 /nfs/dbraw/zinc/03/57/24/607035724.db2.gz TYCWXUVAFYASDP-UHFFFAOYSA-N -1 3 361.409 2.933 20 30 FFEDHM N#Cc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(F)c1 ZINC000822833006 607139934 /nfs/dbraw/zinc/13/99/34/607139934.db2.gz LWRVFFVTYXCSQS-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(F)c1 ZINC000822833006 607139935 /nfs/dbraw/zinc/13/99/35/607139935.db2.gz LWRVFFVTYXCSQS-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000822829620 607238698 /nfs/dbraw/zinc/23/86/98/607238698.db2.gz AKIMFBWHUJTJGL-UHFFFAOYSA-N -1 3 356.748 2.712 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000822829620 607238699 /nfs/dbraw/zinc/23/86/99/607238699.db2.gz AKIMFBWHUJTJGL-UHFFFAOYSA-N -1 3 356.748 2.712 20 30 FFEDHM c1ccc(C(C[C@H]2CCOC2)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826520875 607816466 /nfs/dbraw/zinc/81/64/66/607816466.db2.gz SXVQNCFWAMTAOU-MRXNPFEDSA-N -1 3 362.437 2.787 20 30 FFEDHM c1ccc(C(C[C@H]2CCOC2)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826520875 607816467 /nfs/dbraw/zinc/81/64/67/607816467.db2.gz SXVQNCFWAMTAOU-MRXNPFEDSA-N -1 3 362.437 2.787 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000826402344 607884457 /nfs/dbraw/zinc/88/44/57/607884457.db2.gz RHDFWLVHNAZSRH-ALCCZGGFSA-N -1 3 361.283 2.882 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000826402344 607884458 /nfs/dbraw/zinc/88/44/58/607884458.db2.gz RHDFWLVHNAZSRH-ALCCZGGFSA-N -1 3 361.283 2.882 20 30 FFEDHM CCc1ccc(C=NOCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1 ZINC000825704916 607890211 /nfs/dbraw/zinc/89/02/11/607890211.db2.gz QBZBOSKZTROIFL-UHFFFAOYSA-N -1 3 365.393 2.766 20 30 FFEDHM CCc1ccc(C=NOCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000825704916 607890212 /nfs/dbraw/zinc/89/02/12/607890212.db2.gz QBZBOSKZTROIFL-UHFFFAOYSA-N -1 3 365.393 2.766 20 30 FFEDHM COc1ccc(Cn2ccc(-c3ccc(C#N)cc3)n2)cc1-c1nnn[n-]1 ZINC000826208395 607972942 /nfs/dbraw/zinc/97/29/42/607972942.db2.gz ILQZRDCGIKVNFF-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM COc1ccc(Cn2ccc(-c3ccc(C#N)cc3)n2)cc1-c1nn[n-]n1 ZINC000826208395 607972943 /nfs/dbraw/zinc/97/29/43/607972943.db2.gz ILQZRDCGIKVNFF-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM C=C[C@H](CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883383 607981042 /nfs/dbraw/zinc/98/10/42/607981042.db2.gz PUNFUENBAAKPOD-CQSZACIVSA-N -1 3 362.389 2.953 20 30 FFEDHM C=C[C@H](CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883383 607981043 /nfs/dbraw/zinc/98/10/43/607981043.db2.gz PUNFUENBAAKPOD-CQSZACIVSA-N -1 3 362.389 2.953 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386355 608052453 /nfs/dbraw/zinc/05/24/53/608052453.db2.gz APZVDGASIXKCAC-MRXNPFEDSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386355 608052454 /nfs/dbraw/zinc/05/24/54/608052454.db2.gz APZVDGASIXKCAC-MRXNPFEDSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1ccc(Cl)cc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826385218 608053306 /nfs/dbraw/zinc/05/33/06/608053306.db2.gz BWSBUADWVJLLTG-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1ccc(Cl)cc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826385218 608053307 /nfs/dbraw/zinc/05/33/07/608053307.db2.gz BWSBUADWVJLLTG-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823954061 608092179 /nfs/dbraw/zinc/09/21/79/608092179.db2.gz XEVLRLUZFLLOKD-ONGXEEELSA-N -1 3 363.516 2.695 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824779818 608140636 /nfs/dbraw/zinc/14/06/36/608140636.db2.gz WYZGYLFDXAVSGD-IBGZPJMESA-N -1 3 368.441 2.568 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824779818 608140637 /nfs/dbraw/zinc/14/06/37/608140637.db2.gz WYZGYLFDXAVSGD-IBGZPJMESA-N -1 3 368.441 2.568 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000826184571 608152217 /nfs/dbraw/zinc/15/22/17/608152217.db2.gz BTFGJAGAECBNAI-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cc1-c1nnn[n-]1 ZINC000826385478 608308521 /nfs/dbraw/zinc/30/85/21/608308521.db2.gz OHLCCAFQBYHPBK-MRXNPFEDSA-N -1 3 374.404 2.885 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cc1-c1nn[n-]n1 ZINC000826385478 608308523 /nfs/dbraw/zinc/30/85/23/608308523.db2.gz OHLCCAFQBYHPBK-MRXNPFEDSA-N -1 3 374.404 2.885 20 30 FFEDHM C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633055 608459495 /nfs/dbraw/zinc/45/94/95/608459495.db2.gz GXNIARYSUNMBPT-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633055 608459496 /nfs/dbraw/zinc/45/94/96/608459496.db2.gz GXNIARYSUNMBPT-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM N#C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2n1 ZINC000826378993 608472488 /nfs/dbraw/zinc/47/24/88/608472488.db2.gz GMIXCQNBLIQLKP-OAHLLOKOSA-N -1 3 355.361 2.661 20 30 FFEDHM N#C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC000826378993 608472489 /nfs/dbraw/zinc/47/24/89/608472489.db2.gz GMIXCQNBLIQLKP-OAHLLOKOSA-N -1 3 355.361 2.661 20 30 FFEDHM COc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CC2 ZINC000826211917 608537406 /nfs/dbraw/zinc/53/74/06/608537406.db2.gz ABDJUEDFTZXTDI-UHFFFAOYSA-N -1 3 355.789 2.686 20 30 FFEDHM COc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CC2 ZINC000826211917 608537407 /nfs/dbraw/zinc/53/74/07/608537407.db2.gz ABDJUEDFTZXTDI-UHFFFAOYSA-N -1 3 355.789 2.686 20 30 FFEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824392442 608750113 /nfs/dbraw/zinc/75/01/13/608750113.db2.gz OAYVFNHCWWKVQP-NSHDSACASA-N -1 3 359.434 2.958 20 30 FFEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824392442 608750115 /nfs/dbraw/zinc/75/01/15/608750115.db2.gz OAYVFNHCWWKVQP-NSHDSACASA-N -1 3 359.434 2.958 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826174341 609154795 /nfs/dbraw/zinc/15/47/95/609154795.db2.gz SHTKZXYLJCNWGB-UHFFFAOYSA-N -1 3 361.361 2.650 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826174341 609154796 /nfs/dbraw/zinc/15/47/96/609154796.db2.gz SHTKZXYLJCNWGB-UHFFFAOYSA-N -1 3 361.361 2.650 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC000823961965 609159440 /nfs/dbraw/zinc/15/94/40/609159440.db2.gz CJJOPLPPYASGIU-UHFFFAOYSA-N -1 3 368.376 2.900 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC000823961965 609159441 /nfs/dbraw/zinc/15/94/41/609159441.db2.gz CJJOPLPPYASGIU-UHFFFAOYSA-N -1 3 368.376 2.900 20 30 FFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1CC#N ZINC000825620528 609179934 /nfs/dbraw/zinc/17/99/34/609179934.db2.gz CVOCFNSMFCIWLU-UHFFFAOYSA-N -1 3 362.393 2.513 20 30 FFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1CC#N ZINC000825620528 609179936 /nfs/dbraw/zinc/17/99/36/609179936.db2.gz CVOCFNSMFCIWLU-UHFFFAOYSA-N -1 3 362.393 2.513 20 30 FFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823999830 609271167 /nfs/dbraw/zinc/27/11/67/609271167.db2.gz IZYRMDRIUGUXBL-WTKPLQERSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823999830 609271168 /nfs/dbraw/zinc/27/11/68/609271168.db2.gz IZYRMDRIUGUXBL-WTKPLQERSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=NNC(=S)NC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953645 609273449 /nfs/dbraw/zinc/27/34/49/609273449.db2.gz JZZCZSWBLMWBPJ-UHFFFAOYSA-N -1 3 361.450 2.527 20 30 FFEDHM CC(=NNC(=S)NC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953645 609273451 /nfs/dbraw/zinc/27/34/51/609273451.db2.gz JZZCZSWBLMWBPJ-UHFFFAOYSA-N -1 3 361.450 2.527 20 30 FFEDHM Cn1cc(C=NNc2cccc(C#N)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360291 609304892 /nfs/dbraw/zinc/30/48/92/609304892.db2.gz FFNCJFAUGOPKAE-UHFFFAOYSA-N -1 3 369.392 2.585 20 30 FFEDHM Cn1cc(C=NNc2cccc(C#N)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360291 609304893 /nfs/dbraw/zinc/30/48/93/609304893.db2.gz FFNCJFAUGOPKAE-UHFFFAOYSA-N -1 3 369.392 2.585 20 30 FFEDHM Cc1cccc(CNN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826298407 609305845 /nfs/dbraw/zinc/30/58/45/609305845.db2.gz RCIDOKYJELMQRN-UHFFFAOYSA-N -1 3 372.436 2.699 20 30 FFEDHM Cc1cccc(CNN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826298407 609305846 /nfs/dbraw/zinc/30/58/46/609305846.db2.gz RCIDOKYJELMQRN-UHFFFAOYSA-N -1 3 372.436 2.699 20 30 FFEDHM N#CCC1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826380921 609369258 /nfs/dbraw/zinc/36/92/58/609369258.db2.gz QNAMKAZGMITBIY-UHFFFAOYSA-N -1 3 361.862 2.843 20 30 FFEDHM N#CCC1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826380921 609369261 /nfs/dbraw/zinc/36/92/61/609369261.db2.gz QNAMKAZGMITBIY-UHFFFAOYSA-N -1 3 361.862 2.843 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC[C@H]1CCc2ccccc2C1 ZINC000826383878 609379388 /nfs/dbraw/zinc/37/93/88/609379388.db2.gz VYAASNDRSMEFSK-NSHDSACASA-N -1 3 363.450 2.613 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC[C@H]1CCc2ccccc2C1 ZINC000826383878 609379391 /nfs/dbraw/zinc/37/93/91/609379391.db2.gz VYAASNDRSMEFSK-NSHDSACASA-N -1 3 363.450 2.613 20 30 FFEDHM C#CCCCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823841076 609561740 /nfs/dbraw/zinc/56/17/40/609561740.db2.gz IOUNBQRULIEINT-UHFFFAOYSA-N -1 3 367.453 2.820 20 30 FFEDHM C#CCCCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823841076 609561741 /nfs/dbraw/zinc/56/17/41/609561741.db2.gz IOUNBQRULIEINT-UHFFFAOYSA-N -1 3 367.453 2.820 20 30 FFEDHM Cc1ccnc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1C#N ZINC000826312280 609571748 /nfs/dbraw/zinc/57/17/48/609571748.db2.gz AIYJEKNAIAGQDF-UHFFFAOYSA-N -1 3 360.425 2.523 20 30 FFEDHM Cc1ccnc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1C#N ZINC000826312280 609571752 /nfs/dbraw/zinc/57/17/52/609571752.db2.gz AIYJEKNAIAGQDF-UHFFFAOYSA-N -1 3 360.425 2.523 20 30 FFEDHM N#Cc1ccc(OCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826385842 609616285 /nfs/dbraw/zinc/61/62/85/609616285.db2.gz DQDMBHCMEGBWRY-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM N#Cc1ccc(OCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826385842 609616286 /nfs/dbraw/zinc/61/62/86/609616286.db2.gz DQDMBHCMEGBWRY-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM N#Cc1ccccc1OCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826387101 609617728 /nfs/dbraw/zinc/61/77/28/609617728.db2.gz GKJDWZCANKZGRT-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM N#Cc1ccccc1OCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826387101 609617730 /nfs/dbraw/zinc/61/77/30/609617730.db2.gz GKJDWZCANKZGRT-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824034449 609624937 /nfs/dbraw/zinc/62/49/37/609624937.db2.gz JYZFGNALHQMMQE-BSYHEUMXSA-N -1 3 360.377 2.809 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824034449 609624940 /nfs/dbraw/zinc/62/49/40/609624940.db2.gz JYZFGNALHQMMQE-BSYHEUMXSA-N -1 3 360.377 2.809 20 30 FFEDHM C#CCOc1ccccc1CNc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000158954335 728897602 /nfs/dbraw/zinc/89/76/02/728897602.db2.gz DDVVGKKUJDXYIR-UHFFFAOYSA-N -1 3 360.435 2.691 20 30 FFEDHM CC(=O)Nc1cccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000743449518 735298549 /nfs/dbraw/zinc/29/85/49/735298549.db2.gz ZQBVLCUNJISUJA-UHFFFAOYSA-N -1 3 359.451 2.531 20 30 FFEDHM C[C@@H](C(=O)[N-]CC(F)(C(F)(F)F)C(F)(F)F)N(C)CC(F)(F)F ZINC000899097551 735446979 /nfs/dbraw/zinc/44/69/79/735446979.db2.gz ZFKWDFWFHURCQN-YFKPBYRVSA-N -1 3 366.199 2.818 20 30 FFEDHM CN(C)S(=O)(=O)c1ccccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000011123309 727808576 /nfs/dbraw/zinc/80/85/76/727808576.db2.gz ISQHEWJFXCNUFJ-WOJGMQOQSA-N -1 3 352.843 2.915 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000029739352 727897604 /nfs/dbraw/zinc/89/76/04/727897604.db2.gz GVQWEIQYCSNUID-UHFFFAOYSA-N -1 3 354.447 2.717 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)C2CCCC2)ccc1F ZINC000045489096 728002871 /nfs/dbraw/zinc/00/28/71/728002871.db2.gz AFXNZQSKGZXOMZ-UHFFFAOYSA-N -1 3 354.447 2.695 20 30 FFEDHM C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000185333335 729347015 /nfs/dbraw/zinc/34/70/15/729347015.db2.gz HFDPMJAIAVFDNQ-OAHLLOKOSA-N -1 3 356.447 2.856 20 30 FFEDHM C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000185356369 729347703 /nfs/dbraw/zinc/34/77/03/729347703.db2.gz KKEXFFOBMCWYAW-CYBMUJFWSA-N -1 3 360.410 2.686 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(Br)c1 ZINC000193468514 729480265 /nfs/dbraw/zinc/48/02/65/729480265.db2.gz GKRUXFRGWCAUHD-GFCCVEGCSA-N -1 3 374.194 2.814 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@@H]2C)ccc1F ZINC000195658183 729541078 /nfs/dbraw/zinc/54/10/78/729541078.db2.gz CCHWLHITGGMIRA-DZGCQCFKSA-N -1 3 368.474 2.846 20 30 FFEDHM CCOCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000857010780 730372458 /nfs/dbraw/zinc/37/24/58/730372458.db2.gz WTVMRCWGBPAVKG-HNNXBMFYSA-N -1 3 360.801 2.534 20 30 FFEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(C)(C)C ZINC000857650772 730404356 /nfs/dbraw/zinc/40/43/56/730404356.db2.gz HWIRXKZATYHXCV-UHFFFAOYSA-N -1 3 356.463 2.939 20 30 FFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000859425845 730454425 /nfs/dbraw/zinc/45/44/25/730454425.db2.gz LWMXIPDUYWQNDF-LLVKDONJSA-N -1 3 353.337 2.551 20 30 FFEDHM C=CC[C@@H](C=C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000860928091 730559737 /nfs/dbraw/zinc/55/97/37/730559737.db2.gz ZHBNJZTWGNNLQA-OAHLLOKOSA-N -1 3 353.440 2.889 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H]2CC=CCC2)ccc1F ZINC000862946719 730736328 /nfs/dbraw/zinc/73/63/28/730736328.db2.gz CDNNWJLQBMGZMX-AWEZNQCLSA-N -1 3 366.458 2.766 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651728976 731122793 /nfs/dbraw/zinc/12/27/93/731122793.db2.gz RAXAHDDTBZATHQ-ZJUUUORDSA-N -1 3 366.302 2.831 20 30 FFEDHM CN(C)c1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1Cl ZINC000654972441 731415626 /nfs/dbraw/zinc/41/56/26/731415626.db2.gz VKVUESYWTZXMRI-LBPRGKRZSA-N -1 3 358.833 2.609 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCOc2cc(F)ccc21 ZINC000781592060 738639131 /nfs/dbraw/zinc/63/91/31/738639131.db2.gz AMAIJYZPFASXAK-UHFFFAOYSA-N -1 3 362.426 2.865 20 30 FFEDHM Cc1nc(C)c(CC(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c(=O)[n-]1 ZINC000730417626 734636329 /nfs/dbraw/zinc/63/63/29/734636329.db2.gz OYMRDRNXHPPQJD-LBPRGKRZSA-N -1 3 356.382 2.967 20 30 FFEDHM CCn1c2ccccc2nc1C(C)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000741461600 735144648 /nfs/dbraw/zinc/14/46/48/735144648.db2.gz MDOWAZGFNDKGLP-UHFFFAOYSA-N -1 3 356.451 2.900 20 30 FFEDHM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374216 735772046 /nfs/dbraw/zinc/77/20/46/735772046.db2.gz GWTQOMFVTKWPSB-CQSZACIVSA-N -1 3 354.447 2.881 20 30 FFEDHM C=CCC[C@@H](NCc1c(Br)cc(OC)cc1OC)C(=O)[O-] ZINC000901689328 735820493 /nfs/dbraw/zinc/82/04/93/735820493.db2.gz DCDXIOMTCNKDLP-CYBMUJFWSA-N -1 3 358.232 2.975 20 30 FFEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)cc2)co1 ZINC000901774958 735837643 /nfs/dbraw/zinc/83/76/43/735837643.db2.gz UXTRSQVFZMUKDR-ZDUSSCGKSA-N -1 3 359.329 2.773 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000753627627 736082748 /nfs/dbraw/zinc/08/27/48/736082748.db2.gz CASIQLBIYUNHEP-ZDUSSCGKSA-N -1 3 368.455 2.697 20 30 FFEDHM C#C[C@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000754358192 736150774 /nfs/dbraw/zinc/15/07/74/736150774.db2.gz UETGWBBGNCNNIL-CQSZACIVSA-N -1 3 360.410 2.768 20 30 FFEDHM C#CCNC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000758173202 736458816 /nfs/dbraw/zinc/45/88/16/736458816.db2.gz SONKIOHPDVZKIK-UHFFFAOYSA-N -1 3 363.439 2.546 20 30 FFEDHM O=C(COC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)[N-]CC(F)(F)F ZINC000758853962 736526049 /nfs/dbraw/zinc/52/60/49/736526049.db2.gz BQKFFOHKRULJDD-UHFFFAOYSA-N -1 3 365.176 2.819 20 30 FFEDHM COc1ccc(C=Nn2cnc3ccccc3c2=O)c(Br)c1[O-] ZINC000761015786 736688150 /nfs/dbraw/zinc/68/81/50/736688150.db2.gz QWEHIJVNCWHMBG-UHFFFAOYSA-N -1 3 374.194 2.755 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cnn(CC2CCC2)c1 ZINC000908299337 736755059 /nfs/dbraw/zinc/75/50/59/736755059.db2.gz UQMDQWBWZKFHSA-NSHDSACASA-N -1 3 350.469 2.656 20 30 FFEDHM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000908748599 736825472 /nfs/dbraw/zinc/82/54/72/736825472.db2.gz GENCAEWWGPAYMO-HNNXBMFYSA-N -1 3 365.499 2.803 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908995720 736869188 /nfs/dbraw/zinc/86/91/88/736869188.db2.gz BQUGIKJXAZKGOF-CVEARBPZSA-N -1 3 365.861 2.546 20 30 FFEDHM COc1ccc2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCCO2 ZINC000763164007 736909461 /nfs/dbraw/zinc/90/94/61/736909461.db2.gz VETZSTQPSGJOQT-UHFFFAOYSA-N -1 3 360.435 2.692 20 30 FFEDHM Cn1c(C=N[N-]S(=O)(=O)Cc2ccccc2)nc2ccc(Cl)cc21 ZINC000763355964 736930528 /nfs/dbraw/zinc/93/05/28/736930528.db2.gz MAMOGCAIVHNFJX-UHFFFAOYSA-N -1 3 362.842 2.680 20 30 FFEDHM Cc1cn2ccnc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c2n1 ZINC000763934312 736980393 /nfs/dbraw/zinc/98/03/93/736980393.db2.gz YMVHZJRCAFITQV-NSHDSACASA-N -1 3 353.769 2.652 20 30 FFEDHM CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2sccc2[O-])nc1 ZINC000769782567 737565487 /nfs/dbraw/zinc/56/54/87/737565487.db2.gz YVZSWAXZACUQIL-UHFFFAOYSA-N -1 3 368.484 2.715 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC2CCCCC2)ccc1F ZINC000914738814 737591791 /nfs/dbraw/zinc/59/17/91/737591791.db2.gz LELLOZGXXNXLLP-UHFFFAOYSA-N -1 3 368.474 2.990 20 30 FFEDHM CC(C)Oc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1Cl ZINC000770108422 737597262 /nfs/dbraw/zinc/59/72/62/737597262.db2.gz JAZBSACNRKCLJG-GFCCVEGCSA-N -1 3 358.785 2.878 20 30 FFEDHM COc1cc(C=NNS(=O)(=O)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000916267259 737691345 /nfs/dbraw/zinc/69/13/45/737691345.db2.gz FCPUFXSXJCUELB-UHFFFAOYSA-N -1 3 354.815 2.675 20 30 FFEDHM CC(C)Cc1ncc(C=N[N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000772845162 737847818 /nfs/dbraw/zinc/84/78/18/737847818.db2.gz OKTWNAVXXVVBAS-UHFFFAOYSA-N -1 3 351.497 2.838 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-][C@H](C#N)C2CC2)CC1 ZINC000932376678 739442617 /nfs/dbraw/zinc/44/26/17/739442617.db2.gz FGTRCAZLKFCXGK-CYBMUJFWSA-N -1 3 357.401 2.687 20 30 FFEDHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2CC#N)c(F)cc1F ZINC000794580963 739907103 /nfs/dbraw/zinc/90/71/03/739907103.db2.gz GVYVXURNNWUSEY-UHFFFAOYSA-N -1 3 365.361 2.790 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795780860 740063107 /nfs/dbraw/zinc/06/31/07/740063107.db2.gz CXPRGOSHIFRJFX-LLVKDONJSA-N -1 3 350.318 2.536 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCCCCC#N)cc(C(F)(F)F)c1 ZINC000795782497 740063176 /nfs/dbraw/zinc/06/31/76/740063176.db2.gz MGTDBQCAENHTNN-UHFFFAOYSA-N -1 3 364.345 2.928 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(C)(C)C ZINC000805148444 740946143 /nfs/dbraw/zinc/94/61/43/740946143.db2.gz BRPYPOOCHMDEHN-VIFPVBQESA-N -1 3 363.888 2.823 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1cccs1 ZINC000809851198 741355217 /nfs/dbraw/zinc/35/52/17/741355217.db2.gz JBGZBISIRZZSLH-OAHLLOKOSA-N -1 3 368.455 2.797 20 30 FFEDHM Cc1ncc(CO)c(C=NNc2ccc(F)cc2Br)c1[O-] ZINC000812462553 741622252 /nfs/dbraw/zinc/62/22/52/741622252.db2.gz WJILQIVZWYPXSL-UHFFFAOYSA-N -1 3 354.179 2.936 20 30 FFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000814396592 741820527 /nfs/dbraw/zinc/82/05/27/741820527.db2.gz BGHFWMROHPMSBO-UHFFFAOYSA-N -1 3 371.933 2.686 20 30 FFEDHM CCn1nncc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000815910466 741972373 /nfs/dbraw/zinc/97/23/73/741972373.db2.gz YHQXZMALUSGYCZ-NSHDSACASA-N -1 3 352.181 2.566 20 30 FFEDHM O=C(COc1ccc(Cl)cc1C1CCCCC1)N[C@@H]1CCN([O-])C1=O ZINC000816693481 742053370 /nfs/dbraw/zinc/05/33/70/742053370.db2.gz LPDAGNKXNWMJHR-OAHLLOKOSA-N -1 3 366.845 2.873 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000816755640 742059033 /nfs/dbraw/zinc/05/90/33/742059033.db2.gz FKWYBAUSLFWIOV-JTQLQIEISA-N -1 3 370.249 2.834 20 30 FFEDHM COc1ccc(-c2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)sc2C)cc1 ZINC000816758797 742059367 /nfs/dbraw/zinc/05/93/67/742059367.db2.gz XWWPTGBSRWDKCM-OAHLLOKOSA-N -1 3 360.435 2.842 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC001043066153 743130991 /nfs/dbraw/zinc/13/09/91/743130991.db2.gz RTLCPPCTWUFODW-BXKDBHETSA-N -1 3 362.842 2.946 20 30 FFEDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2cc(C#N)ccc21 ZINC000841573449 747410247 /nfs/dbraw/zinc/41/02/47/747410247.db2.gz XODWPSCAXIYFFS-CQSZACIVSA-N -1 3 364.858 2.610 20 30 FFEDHM C#CC1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000844045365 747958079 /nfs/dbraw/zinc/95/80/79/747958079.db2.gz JCXAZIXPNOSWPL-UHFFFAOYSA-N -1 3 359.223 2.776 20 30 FFEDHM CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc([O-])c(Br)c1 ZINC000844590682 748056625 /nfs/dbraw/zinc/05/66/25/748056625.db2.gz XAJGMSGYXDOMBF-CHWSQXEVSA-N -1 3 351.248 2.739 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000848130429 748850363 /nfs/dbraw/zinc/85/03/63/748850363.db2.gz JXWJEJUXTZEQPX-CYBMUJFWSA-N -1 3 356.344 2.624 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000849412316 749140037 /nfs/dbraw/zinc/14/00/37/749140037.db2.gz KXFNXBXKDFDFNY-RYUDHWBXSA-N -1 3 372.874 2.935 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1 ZINC000849474010 749172745 /nfs/dbraw/zinc/17/27/45/749172745.db2.gz UQHQSHJKJBSKIO-UHFFFAOYSA-N -1 3 368.430 2.673 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(C(F)F)nc1 ZINC000853314167 750047334 /nfs/dbraw/zinc/04/73/34/750047334.db2.gz QMMGMJROURWOQC-UHFFFAOYSA-N -1 3 353.394 2.905 20 30 FFEDHM C=CCc1cc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc(OC)c1OC ZINC000893214838 970979409 /nfs/dbraw/zinc/97/94/09/970979409.db2.gz ZGBHMJCNSYRIBA-UHFFFAOYSA-N -1 3 355.394 2.521 20 30 FFEDHM N#CCCn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000822810404 946195197 /nfs/dbraw/zinc/19/51/97/946195197.db2.gz IHEPITYMNYSHRR-UHFFFAOYSA-N -1 3 370.420 2.859 20 30 FFEDHM N#CCCn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000822810404 946195202 /nfs/dbraw/zinc/19/52/02/946195202.db2.gz IHEPITYMNYSHRR-UHFFFAOYSA-N -1 3 370.420 2.859 20 30 FFEDHM C#Cc1ccc(C(=O)N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC001573288636 946873562 /nfs/dbraw/zinc/87/35/62/946873562.db2.gz SHPFGKOYEDJFLH-UHFFFAOYSA-N -1 3 357.417 2.868 20 30 FFEDHM C#Cc1ccc(C(=O)N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001573288636 946873575 /nfs/dbraw/zinc/87/35/75/946873575.db2.gz SHPFGKOYEDJFLH-UHFFFAOYSA-N -1 3 357.417 2.868 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)CCNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573297662 947064224 /nfs/dbraw/zinc/06/42/24/947064224.db2.gz JLZPOYFPTIPRLP-GFCCVEGCSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573297662 947064238 /nfs/dbraw/zinc/06/42/38/947064238.db2.gz JLZPOYFPTIPRLP-GFCCVEGCSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573306214 947167933 /nfs/dbraw/zinc/16/79/33/947167933.db2.gz ZAFGAUBSFRKFMG-AWEZNQCLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573306214 947167942 /nfs/dbraw/zinc/16/79/42/947167942.db2.gz ZAFGAUBSFRKFMG-AWEZNQCLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573314909 947239388 /nfs/dbraw/zinc/23/93/88/947239388.db2.gz HUPRWQOYJWGIAR-CYBMUJFWSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573314909 947239396 /nfs/dbraw/zinc/23/93/96/947239396.db2.gz HUPRWQOYJWGIAR-CYBMUJFWSA-N -1 3 360.437 2.551 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573334397 947454703 /nfs/dbraw/zinc/45/47/03/947454703.db2.gz MUPJOHSBEMXEMH-GDBMZVCRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573334397 947454711 /nfs/dbraw/zinc/45/47/11/947454711.db2.gz MUPJOHSBEMXEMH-GDBMZVCRSA-N -1 3 369.473 2.515 20 30 FFEDHM COCCOc1ccc(C#N)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826162851 947510875 /nfs/dbraw/zinc/51/08/75/947510875.db2.gz UWVBWDPSJQDYGL-ZDUSSCGKSA-N -1 3 364.409 2.937 20 30 FFEDHM COCCOc1ccc(C#N)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826162851 947510887 /nfs/dbraw/zinc/51/08/87/947510887.db2.gz UWVBWDPSJQDYGL-ZDUSSCGKSA-N -1 3 364.409 2.937 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(SC)n1 ZINC001573340933 947524153 /nfs/dbraw/zinc/52/41/53/947524153.db2.gz DIHCCISRSSKABM-UHFFFAOYSA-N -1 3 366.450 2.812 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(SC)n1 ZINC001573340933 947524161 /nfs/dbraw/zinc/52/41/61/947524161.db2.gz DIHCCISRSSKABM-UHFFFAOYSA-N -1 3 366.450 2.812 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)c(C#N)cn1 ZINC001573342085 947540049 /nfs/dbraw/zinc/54/00/49/947540049.db2.gz SUZCODKNGRYRII-UHFFFAOYSA-N -1 3 374.408 2.662 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)c(C#N)cn1 ZINC001573342085 947540054 /nfs/dbraw/zinc/54/00/54/947540054.db2.gz SUZCODKNGRYRII-UHFFFAOYSA-N -1 3 374.408 2.662 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc(OC)c1 ZINC000826178499 947550725 /nfs/dbraw/zinc/55/07/25/947550725.db2.gz AFPJUHQWNLMQSS-ZZXKWVIFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc(OC)c1 ZINC000826178499 947550736 /nfs/dbraw/zinc/55/07/36/947550736.db2.gz AFPJUHQWNLMQSS-ZZXKWVIFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826177176 947551257 /nfs/dbraw/zinc/55/12/57/947551257.db2.gz VOGMYCCZSWWJDM-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826177176 947551262 /nfs/dbraw/zinc/55/12/62/947551262.db2.gz VOGMYCCZSWWJDM-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000826191205 947585732 /nfs/dbraw/zinc/58/57/32/947585732.db2.gz ZWYNZXQORJIDDZ-CLTKARDFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000826191205 947585736 /nfs/dbraw/zinc/58/57/36/947585736.db2.gz ZWYNZXQORJIDDZ-CLTKARDFSA-N -1 3 354.341 2.919 20 30 FFEDHM CC(=O)[C@@](C#N)(CCSc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573366845 947748166 /nfs/dbraw/zinc/74/81/66/947748166.db2.gz UFMGHJYUJQMIBN-SFHVURJKSA-N -1 3 364.434 2.794 20 30 FFEDHM CC(=O)[C@@](C#N)(CCSc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573366845 947748170 /nfs/dbraw/zinc/74/81/70/947748170.db2.gz UFMGHJYUJQMIBN-SFHVURJKSA-N -1 3 364.434 2.794 20 30 FFEDHM N#Cc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)o1 ZINC000826384989 948188147 /nfs/dbraw/zinc/18/81/47/948188147.db2.gz SDYUTGQVNCDYOF-UHFFFAOYSA-N -1 3 366.772 2.783 20 30 FFEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001464731509 948529765 /nfs/dbraw/zinc/52/97/65/948529765.db2.gz NYJWHMMTDGABNE-NSHDSACASA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001464731509 948529769 /nfs/dbraw/zinc/52/97/69/948529769.db2.gz NYJWHMMTDGABNE-NSHDSACASA-N -1 3 367.862 2.639 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2C)ccc1F ZINC000178381097 971664041 /nfs/dbraw/zinc/66/40/41/971664041.db2.gz UNXIMODRADVFQI-UHFFFAOYSA-N -1 3 373.409 2.722 20 30 FFEDHM C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001075421186 963945988 /nfs/dbraw/zinc/94/59/88/963945988.db2.gz QUSQAOOCBZVHRF-SJLPKXTDSA-N -1 3 369.440 2.948 20 30 FFEDHM C=C(Cl)CN1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1CC ZINC001087647451 968488889 /nfs/dbraw/zinc/48/88/89/968488889.db2.gz VJSFIFUSHBSVSV-DOTOQJQBSA-N -1 3 359.857 2.863 20 30 FFEDHM N#Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001075562914 973636167 /nfs/dbraw/zinc/63/61/67/973636167.db2.gz CXRIVCOWUIEJEO-HNAYVOBHSA-N -1 3 365.408 2.749 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccccc3[O-])C2)cc1 ZINC000980946238 976169046 /nfs/dbraw/zinc/16/90/46/976169046.db2.gz UBEMERFJTRDVDH-FUHWJXTLSA-N -1 3 362.429 2.702 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1cncn1C ZINC000904204759 980214489 /nfs/dbraw/zinc/21/44/89/980214489.db2.gz UPUMNXHGQFVEFW-CRAIPNDOSA-N -1 3 364.490 2.908 20 30 FFEDHM C=CCCC[C@@H]1NC(=O)N(c2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1=O ZINC000905014003 980366761 /nfs/dbraw/zinc/36/67/61/980366761.db2.gz YLDXBEPWWPLYLN-HNNXBMFYSA-N -1 3 352.394 2.939 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H](C)c2nc(-c3ccccc3)no2)c1[O-] ZINC000760226822 980436555 /nfs/dbraw/zinc/43/65/55/980436555.db2.gz JRTQCSAMNDMCIU-XGTDKWECSA-N -1 3 352.394 2.861 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000156578154 984344767 /nfs/dbraw/zinc/34/47/67/984344767.db2.gz VDJYJHRTHLGGRS-JCGIZDLHSA-N -1 3 358.438 2.543 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1CCC2(CC1)OCCO2 ZINC000763265167 989380739 /nfs/dbraw/zinc/38/07/39/989380739.db2.gz DHELXNUOGCECAG-UHFFFAOYSA-N -1 3 374.437 2.685 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cn(-c2ccccc2)nn1 ZINC000916884739 990010280 /nfs/dbraw/zinc/01/02/80/990010280.db2.gz ZTCKWHJMVZJFFN-HNNXBMFYSA-N -1 3 365.780 2.882 20 30 FFEDHM CCc1c(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)[nH]c(C)c1C(C)=O ZINC000811185356 995052114 /nfs/dbraw/zinc/05/21/14/995052114.db2.gz JUMKBMUKRCCRFW-UHFFFAOYSA-N -1 3 354.362 2.705 20 30 FFEDHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184488 995052505 /nfs/dbraw/zinc/05/25/05/995052505.db2.gz OSFHLOQJNQHOKW-LBPRGKRZSA-N -1 3 356.353 2.779 20 30 FFEDHM CCCOc1ccc(CNC(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811187564 995053434 /nfs/dbraw/zinc/05/34/34/995053434.db2.gz TZCAVAXSSLQSBT-UHFFFAOYSA-N -1 3 368.389 2.526 20 30 FFEDHM C#Cc1cccc(NC(=S)NN=Cc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000727261723 995743429 /nfs/dbraw/zinc/74/34/29/995743429.db2.gz NVNBSOGGBBDTCP-UHFFFAOYSA-N -1 3 370.390 2.611 20 30 FFEDHM N#Cc1ccc(F)cc1CN1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001084196713 996329705 /nfs/dbraw/zinc/32/97/05/996329705.db2.gz SMFGQBXCAJGWSP-DNVCBOLYSA-N -1 3 365.408 2.749 20 30 FFEDHM COc1ccc(C(=O)[O-])c2c1CN(CCCC1(C#N)CCOCC1)CC2 ZINC001599500930 997118570 /nfs/dbraw/zinc/11/85/70/997118570.db2.gz DWZGZYAROJODQS-UHFFFAOYSA-N -1 3 358.438 2.852 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)cc1 ZINC000732287656 998598834 /nfs/dbraw/zinc/59/88/34/998598834.db2.gz ZCIYKHDUDGIVMP-UHFFFAOYSA-N -1 3 374.400 2.891 20 30 FFEDHM COC(=O)c1cccc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1C#N ZINC001598996063 998780866 /nfs/dbraw/zinc/78/08/66/998780866.db2.gz OWTPAZXTLXXZIS-RBUKOAKNSA-N -1 3 364.401 2.645 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C3CC3)n(C)n2)cc1Cl ZINC000744032623 999841579 /nfs/dbraw/zinc/84/15/79/999841579.db2.gz MOEBIPPUFBEAHM-GFCCVEGCSA-N -1 3 372.812 2.921 20 30 FFEDHM Cc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)c(-n2cc(Cl)cn2)n1 ZINC000787139424 1001668203 /nfs/dbraw/zinc/66/82/03/1001668203.db2.gz SLEIQBDDSXKTDP-DNTJNYDQSA-N -1 3 371.828 2.750 20 30 FFEDHM N#Cc1cccc2[nH]cc(CC(=O)Nc3cccc4c(=O)[nH][n-]c(=O)c34)c21 ZINC001182583438 1001966008 /nfs/dbraw/zinc/96/60/08/1001966008.db2.gz ZCKJTXFHDUJKMA-UHFFFAOYSA-N -1 3 359.345 2.575 20 30 FFEDHM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)nn2)c1 ZINC000789402386 1002071781 /nfs/dbraw/zinc/07/17/81/1002071781.db2.gz DIMXQXYSARNXDX-INIZCTEOSA-N -1 3 363.352 2.676 20 30 FFEDHM NC(=O)c1cc(C(=O)N([O-])Cc2ccccc2Cl)nn1-c1ccccc1 ZINC001184283724 1002561440 /nfs/dbraw/zinc/56/14/40/1002561440.db2.gz OTTUBGMDWFTAQQ-UHFFFAOYSA-N -1 3 370.796 2.656 20 30 FFEDHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N([O-])Cc1cccc2ccccc21 ZINC001184339056 1002574506 /nfs/dbraw/zinc/57/45/06/1002574506.db2.gz BPUPZQLDTRWPRJ-QZTJIDSGSA-N -1 3 366.417 2.733 20 30 FFEDHM Cc1nc(C#N)c([N-]C(=O)C(=O)c2c[nH]c3ccc(Br)cc23)o1 ZINC001184478335 1002630129 /nfs/dbraw/zinc/63/01/29/1002630129.db2.gz FSZWPEGOOIDWKU-UHFFFAOYSA-N -1 3 373.166 2.920 20 30 FFEDHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccc(F)cc1)c1ccccc1[O-] ZINC001096823782 1016654768 /nfs/dbraw/zinc/65/47/68/1016654768.db2.gz PJJGLAIAKUYJHR-RLLQIKCJSA-N -1 3 364.420 2.918 20 30 FFEDHM N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)c(Cl)c1 ZINC001054862087 1016675785 /nfs/dbraw/zinc/67/57/85/1016675785.db2.gz UPCULFYPGVYICM-KCXAZCMYSA-N -1 3 368.824 2.852 20 30 FFEDHM Cc1cc(C#N)cc(Cl)c1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185597424 1003000439 /nfs/dbraw/zinc/00/04/39/1003000439.db2.gz MQIWEABPYRGWQA-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM Cc1cc(C#N)cc(Cl)c1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185597424 1003000452 /nfs/dbraw/zinc/00/04/52/1003000452.db2.gz MQIWEABPYRGWQA-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM C=CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185583104 1003007506 /nfs/dbraw/zinc/00/75/06/1003007506.db2.gz KFDOTUFPPJRMCY-UHFFFAOYSA-N -1 3 369.450 2.634 20 30 FFEDHM C=CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185583104 1003007512 /nfs/dbraw/zinc/00/75/12/1003007512.db2.gz KFDOTUFPPJRMCY-UHFFFAOYSA-N -1 3 369.450 2.634 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC ZINC001187078146 1003560519 /nfs/dbraw/zinc/56/05/19/1003560519.db2.gz RPAQOEMYEAWNLD-GFCCVEGCSA-N -1 3 352.239 2.531 20 30 FFEDHM Cc1onc(-c2ccc(O)cc2)c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001196591829 1003873276 /nfs/dbraw/zinc/87/32/76/1003873276.db2.gz GUQDIGJIJOPAFN-UHFFFAOYSA-N -1 3 352.350 2.795 20 30 FFEDHM CC(C)(C)OC(=O)NCc1ccnc(C(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001196916551 1003998729 /nfs/dbraw/zinc/99/87/29/1003998729.db2.gz ZBGUOACIPHJOGH-UHFFFAOYSA-N -1 3 368.393 2.936 20 30 FFEDHM Cc1nn(-c2ccccc2)nc1C(=O)[N-]c1nc2ncccc2cc1C#N ZINC001192538092 1004201380 /nfs/dbraw/zinc/20/13/80/1004201380.db2.gz ZPPGMMMCVVSOHZ-UHFFFAOYSA-N -1 3 355.361 2.643 20 30 FFEDHM CCOC(=O)CCc1cccc(C(=O)N([O-])C(=N)c2ccccc2N)c1 ZINC001197542231 1004265540 /nfs/dbraw/zinc/26/55/40/1004265540.db2.gz YJFMYSCAMIRSFR-UHFFFAOYSA-N -1 3 355.394 2.621 20 30 FFEDHM CCN(C(=O)c1ccccc1)c1ccc([N-]S(=O)(=O)CC#N)c(C)c1 ZINC001192988815 1004335020 /nfs/dbraw/zinc/33/50/20/1004335020.db2.gz QGEMBCSASVLESR-UHFFFAOYSA-N -1 3 357.435 2.927 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(Cc2ccc(C(F)(F)F)cc2)n1 ZINC001193112881 1004377468 /nfs/dbraw/zinc/37/74/68/1004377468.db2.gz WBXORBIRKDAHMN-NSHDSACASA-N -1 3 372.372 2.912 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccnn1Cc1cccc(C(F)(F)F)c1 ZINC001193112337 1004377503 /nfs/dbraw/zinc/37/75/03/1004377503.db2.gz RFIGOKNTNHNSRH-JTQLQIEISA-N -1 3 358.345 2.604 20 30 FFEDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c1 ZINC001193426709 1004484620 /nfs/dbraw/zinc/48/46/20/1004484620.db2.gz MADNNSYNSTUESC-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM N#Cc1ccc(I)cc1C(=O)Nc1cncc([O-])c1 ZINC001193574759 1004515412 /nfs/dbraw/zinc/51/54/12/1004515412.db2.gz VLQFWCCTYIACCL-UHFFFAOYSA-N -1 3 365.130 2.516 20 30 FFEDHM COCCOc1ccnc(C(=O)[N-]c2c(C#N)cccc2C(F)(F)F)n1 ZINC001199192683 1004864125 /nfs/dbraw/zinc/86/41/25/1004864125.db2.gz BDEGPKPTKYJRTE-UHFFFAOYSA-N -1 3 366.299 2.645 20 30 FFEDHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1 ZINC001201216381 1005185713 /nfs/dbraw/zinc/18/57/13/1005185713.db2.gz MATJCBBHXWBGOM-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776273398 1005340500 /nfs/dbraw/zinc/34/05/00/1005340500.db2.gz GANBCBMWOBUCNN-GFCCVEGCSA-N -1 3 352.346 2.650 20 30 FFEDHM COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000776280483 1005346290 /nfs/dbraw/zinc/34/62/90/1005346290.db2.gz RASMXOSJITYCGC-ZDUSSCGKSA-N -1 3 370.405 2.929 20 30 FFEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152459177 1032171917 /nfs/dbraw/zinc/17/19/17/1032171917.db2.gz APBUOOBUGQYPHN-LBPRGKRZSA-N -1 3 350.374 2.877 20 30 FFEDHM COC(=O)c1cc(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3C#N)C2)c[n-]1 ZINC000816041550 1006872508 /nfs/dbraw/zinc/87/25/08/1006872508.db2.gz SNGCLCMGTAVSIU-OAHLLOKOSA-N -1 3 371.368 2.638 20 30 FFEDHM COc1ccc(C#N)c(C(=O)[N-]c2nonc2-c2nc3ccccc3[nH]2)c1 ZINC001189066690 1006880241 /nfs/dbraw/zinc/88/02/41/1006880241.db2.gz FYFCOBUKAPQBIZ-UHFFFAOYSA-N -1 3 360.333 2.745 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCOc2ccccc2Cl)c1 ZINC001190660841 1007722363 /nfs/dbraw/zinc/72/23/63/1007722363.db2.gz CIRLKIYCVDPRBV-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3c2c(F)ccc3F)c1 ZINC001190682260 1007748346 /nfs/dbraw/zinc/74/83/46/1007748346.db2.gz YPQBTEGFCGKZIK-CQSZACIVSA-N -1 3 352.337 2.941 20 30 FFEDHM CC(C)(C)OC(=O)Nc1ccncc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001191259601 1007935508 /nfs/dbraw/zinc/93/55/08/1007935508.db2.gz VQSJIRXJJAHLAI-UHFFFAOYSA-N -1 3 354.366 2.680 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000820180481 1008300647 /nfs/dbraw/zinc/30/06/47/1008300647.db2.gz ZGLUQVRWJGTKRC-JTQLQIEISA-N -1 3 370.283 2.565 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])C2=CC[C@H](NC(=O)OC(C)(C)C)C2)nc(C)n1 ZINC000860465059 1009014262 /nfs/dbraw/zinc/01/42/62/1009014262.db2.gz FQKXKENGOQNSAO-GJZGRUSLSA-N -1 3 356.426 2.883 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCN(c2ccccc2F)C1=O ZINC001136735511 1009099633 /nfs/dbraw/zinc/09/96/33/1009099633.db2.gz YSNBJSMTPPZJLM-HNNXBMFYSA-N -1 3 373.334 2.711 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001178887638 1009167919 /nfs/dbraw/zinc/16/79/19/1009167919.db2.gz JEAUIHXFICNUBL-STQMWFEESA-N -1 3 363.389 2.797 20 30 FFEDHM Cc1cc(C#N)cc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)n1 ZINC001274124777 1009430826 /nfs/dbraw/zinc/43/08/26/1009430826.db2.gz NRKLWCMUPSHNNC-UHFFFAOYSA-N -1 3 357.363 2.572 20 30 FFEDHM C=CCCCN(CC)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC001180032210 1009537750 /nfs/dbraw/zinc/53/77/50/1009537750.db2.gz FZXYKBMHVIHKNU-UHFFFAOYSA-N -1 3 372.437 2.834 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1COCc1ccccc1 ZINC000861829322 1009576194 /nfs/dbraw/zinc/57/61/94/1009576194.db2.gz ZKKFZJOSLSNGKV-SFHVURJKSA-N -1 3 354.406 2.513 20 30 FFEDHM COc1ccccc1Nc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000868563972 1011367472 /nfs/dbraw/zinc/36/74/72/1011367472.db2.gz ZAMFNIFLTMJQRS-INIZCTEOSA-N -1 3 355.394 2.549 20 30 FFEDHM C=C(C)CN1CCC2(CCN(C(=O)c3cc(CC)ccc3[O-])CC2)C1=O ZINC001274786888 1011654433 /nfs/dbraw/zinc/65/44/33/1011654433.db2.gz NGCFOVGDFPFNCK-UHFFFAOYSA-N -1 3 356.466 2.985 20 30 FFEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001275426818 1012447132 /nfs/dbraw/zinc/44/71/32/1012447132.db2.gz ASTZZRRMBOUGAH-CQSZACIVSA-N -1 3 363.408 2.692 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001275433862 1012458097 /nfs/dbraw/zinc/45/80/97/1012458097.db2.gz UYIUJHASZWOMQY-CQSZACIVSA-N -1 3 350.409 2.965 20 30 FFEDHM N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)c(F)c1 ZINC001095188572 1012673324 /nfs/dbraw/zinc/67/33/24/1012673324.db2.gz MDDIZFJLYZHGKU-MNEFBYGVSA-N -1 3 365.408 2.938 20 30 FFEDHM O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901374984 1019016816 /nfs/dbraw/zinc/01/68/16/1019016816.db2.gz ZBUUPCAWYYIKMH-UHFFFAOYSA-N -1 3 356.313 2.951 20 30 FFEDHM C=CCCn1cc(CN[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])nn1 ZINC000901840928 1019510837 /nfs/dbraw/zinc/51/08/37/1019510837.db2.gz RCAXFZHYGGCKEK-VQIMIIECSA-N -1 3 354.454 2.907 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2cc(C#N)ccc2F)c([O-])c1 ZINC000726204967 1020433789 /nfs/dbraw/zinc/43/37/89/1020433789.db2.gz WTJVODFSDNIRQH-UHFFFAOYSA-N -1 3 356.353 2.575 20 30 FFEDHM COc1cnc([C@H]2CCCN2CCCOc2cccc(C#N)c2)[n-]c1=O ZINC000934275158 1021182064 /nfs/dbraw/zinc/18/20/64/1021182064.db2.gz YSZSMHUTIOWFJV-MRXNPFEDSA-N -1 3 354.410 2.668 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)OCC ZINC001116570840 1021289283 /nfs/dbraw/zinc/28/92/83/1021289283.db2.gz LBUWHFBBBCTPGK-NSHDSACASA-N -1 3 369.336 2.631 20 30 FFEDHM COc1ccc(CN2CCC(=N[N-]c3ccc(C(C)(C)C)nn3)C2=O)cc1 ZINC001118589274 1022302696 /nfs/dbraw/zinc/30/26/96/1022302696.db2.gz FALWJQDBQUMWAA-UHFFFAOYSA-N -1 3 367.453 2.983 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001122481427 1023295599 /nfs/dbraw/zinc/29/55/99/1023295599.db2.gz CFBQAWMJATWXMO-VXGBXAGGSA-N -1 3 360.487 2.655 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001122481426 1023296063 /nfs/dbraw/zinc/29/60/63/1023296063.db2.gz CFBQAWMJATWXMO-RYUDHWBXSA-N -1 3 360.487 2.655 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001122490318 1023302290 /nfs/dbraw/zinc/30/22/90/1023302290.db2.gz JOHZFRJZGUUKNM-CQSZACIVSA-N -1 3 369.807 2.918 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001122490318 1023302297 /nfs/dbraw/zinc/30/22/97/1023302297.db2.gz JOHZFRJZGUUKNM-CQSZACIVSA-N -1 3 369.807 2.918 20 30 FFEDHM C=CCCN(OCc1ccccc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000189902363 1023357835 /nfs/dbraw/zinc/35/78/35/1023357835.db2.gz SXBPFQUCFLLDLZ-UHFFFAOYSA-N -1 3 350.374 2.720 20 30 FFEDHM C=CCCN(OCc1ccccc1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000189909080 1023360368 /nfs/dbraw/zinc/36/03/68/1023360368.db2.gz VISXPRPILZADHH-UHFFFAOYSA-N -1 3 355.438 2.856 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC[C@H](CO)Cc2ccccc2)n1 ZINC001158917613 1027190620 /nfs/dbraw/zinc/19/06/20/1027190620.db2.gz XOFMLINVHNNYGW-DKSCHZSNSA-N -1 3 366.874 2.923 20 30 FFEDHM C#C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Br)cc1 ZINC001159634914 1027451443 /nfs/dbraw/zinc/45/14/43/1027451443.db2.gz UFAOLRCAWWBAAA-CYBMUJFWSA-N -1 3 355.195 2.825 20 30 FFEDHM CCOC(=O)[C@H]1CCC[C@@H]1Nc1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001159830271 1027511631 /nfs/dbraw/zinc/51/16/31/1027511631.db2.gz LZCHNUQQBUPNAE-WHKJBXFASA-N -1 3 358.851 2.804 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001160178557 1027626732 /nfs/dbraw/zinc/62/67/32/1027626732.db2.gz KIVZZXPGIBJAJL-IYQDAUBNSA-N -1 3 352.728 2.686 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@](C)(CO)c2ccccc2)n1 ZINC001160435351 1027706196 /nfs/dbraw/zinc/70/61/96/1027706196.db2.gz MNMZFBDWLHUMHI-IWAJPKQASA-N -1 3 352.847 2.980 20 30 FFEDHM N#Cc1cc(NC(=O)c2cn3c(cccc3Br)n2)ccc1[O-] ZINC001153117905 1027778359 /nfs/dbraw/zinc/77/83/59/1027778359.db2.gz PYQVFWJWRUCSCZ-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM O=C([C@@H]1CCCC2(CC2)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802438 1028319625 /nfs/dbraw/zinc/31/96/25/1028319625.db2.gz WLJZZJGZDRIABL-CQSZACIVSA-N -1 3 356.422 2.861 20 30 FFEDHM CN(C)c1cc(F)c(C(=O)N([O-])Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001161848770 1028332027 /nfs/dbraw/zinc/33/20/27/1028332027.db2.gz JQMYHEUCBKVLAN-UHFFFAOYSA-N -1 3 351.309 2.971 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc3cc(Br)ccn32)ccc1[O-] ZINC001155357886 1028692613 /nfs/dbraw/zinc/69/26/13/1028692613.db2.gz XXLVICXBERZFKO-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM [O-]N=C(Nc1ncc2c(n1)CCCN2)c1ccc(OC(F)(F)F)cc1 ZINC001155909087 1028971014 /nfs/dbraw/zinc/97/10/14/1028971014.db2.gz HZSLDQRJJBGHTO-UHFFFAOYSA-N -1 3 353.304 2.981 20 30 FFEDHM CN(C)C(=O)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001155909262 1028971353 /nfs/dbraw/zinc/97/13/53/1028971353.db2.gz KXRMPDBRPVYRAB-UHFFFAOYSA-N -1 3 368.315 2.930 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=N)c1ccc(C(F)(F)F)cc1 ZINC001163684463 1029024279 /nfs/dbraw/zinc/02/42/79/1029024279.db2.gz YPRLLAIHNHQOKG-UHFFFAOYSA-N -1 3 362.315 2.931 20 30 FFEDHM N#Cc1cc(-c2ccnc(Cl)n2)c(NCCCc2c[n-][nH]c2=O)cc1F ZINC001156279077 1029123271 /nfs/dbraw/zinc/12/32/71/1029123271.db2.gz QHPDMJHZFYVDKV-JTQLQIEISA-N -1 3 372.791 2.732 20 30 FFEDHM N#Cc1c(Cl)c2cc(F)c(F)cc2nc1NCCCc1c[n-][nH]c1=O ZINC001156285724 1029125997 /nfs/dbraw/zinc/12/59/97/1029125997.db2.gz QXKCHCYBTZVVPC-MRVPVSSYSA-N -1 3 363.755 2.962 20 30 FFEDHM C#C[C@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)C ZINC000799048276 1031624952 /nfs/dbraw/zinc/62/49/52/1031624952.db2.gz DNTXWSLYJSJDJP-HNNXBMFYSA-N -1 3 371.462 2.726 20 30 FFEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(Cl)n1 ZINC001535382073 1069780753 /nfs/dbraw/zinc/78/07/53/1069780753.db2.gz CYCOGMQEAWLQAN-UHFFFAOYSA-N -1 3 360.801 2.904 20 30 FFEDHM C=CCN1C(=O)C[C@]2(CCCN(Cc3cc(Cl)c([O-])cc3F)C2)C1=O ZINC001277057510 1034328733 /nfs/dbraw/zinc/32/87/33/1034328733.db2.gz SPUNJQSVNRQEER-SFHVURJKSA-N -1 3 366.820 2.712 20 30 FFEDHM C=CC[C@@H]1[C@H](Oc2[n-]c(=O)nnc2C)CCCN1C(=O)OC(C)(C)C ZINC001226465023 1034696228 /nfs/dbraw/zinc/69/62/28/1034696228.db2.gz USBSQNLUNWQHRY-CHWSQXEVSA-N -1 3 350.419 2.609 20 30 FFEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139129643 1034959038 /nfs/dbraw/zinc/95/90/38/1034959038.db2.gz DFDGDKVAZINZBT-AWEZNQCLSA-N -1 3 372.421 2.684 20 30 FFEDHM C=C(C)C(=O)OC[C@H](C)Oc1cccc([O-])c1I ZINC001227379184 1035521850 /nfs/dbraw/zinc/52/18/50/1035521850.db2.gz CTXZQLZRLAVCRN-VIFPVBQESA-N -1 3 362.163 2.883 20 30 FFEDHM C#C[C@@H](COc1cccc(Cl)c1)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227695031 1035679887 /nfs/dbraw/zinc/67/98/87/1035679887.db2.gz KITZKDPAMNBCEZ-NSHDSACASA-N -1 3 358.741 2.979 20 30 FFEDHM Cc1nc(CN2CCC3(CN(Cc4cc(C#N)ccc4[O-])C3)C2)cs1 ZINC001232676852 1035935213 /nfs/dbraw/zinc/93/52/13/1035935213.db2.gz SYPNLOZBRXOULA-UHFFFAOYSA-N -1 3 354.479 2.737 20 30 FFEDHM C=CCOC[C@@H]1CN(Cc2cccc([O-])c2F)Cc2nnn(CC3CC3)c21 ZINC001233051201 1036294080 /nfs/dbraw/zinc/29/40/80/1036294080.db2.gz NXIPBMTZFKZPDK-INIZCTEOSA-N -1 3 372.444 2.835 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234510637 1037066023 /nfs/dbraw/zinc/06/60/23/1037066023.db2.gz CUMSUMKGPQWCNF-BETUJISGSA-N -1 3 370.409 2.984 20 30 FFEDHM C#CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001277506133 1037532090 /nfs/dbraw/zinc/53/20/90/1037532090.db2.gz GIKIEEFMDQHHOS-AWEZNQCLSA-N -1 3 350.821 2.536 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCC#N)cc2)c(F)c1F ZINC001209143205 1038682953 /nfs/dbraw/zinc/68/29/53/1038682953.db2.gz CHELCNXFSJUYSG-UHFFFAOYSA-N -1 3 352.362 2.654 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(O)cc2)C(F)(F)F)cc1 ZINC001258163540 1039242017 /nfs/dbraw/zinc/24/20/17/1039242017.db2.gz ONDOFGWBXAGFED-CQSZACIVSA-N -1 3 356.325 2.846 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Br)ncc2F)c1 ZINC001259118311 1039728122 /nfs/dbraw/zinc/72/81/22/1039728122.db2.gz DYOBYRIFMQPCSP-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2c([O-])cccc2Cl)cc1C#N ZINC001278491397 1039883385 /nfs/dbraw/zinc/88/33/85/1039883385.db2.gz UNIBOUPXTGIPAJ-IYBDPMFKSA-N -1 3 356.857 2.714 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Br)n1 ZINC001259306319 1039895421 /nfs/dbraw/zinc/89/54/21/1039895421.db2.gz RIMRNKJROWAIST-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC001259433640 1040000378 /nfs/dbraw/zinc/00/03/78/1040000378.db2.gz WJDVFCOSDHKZRM-CQSZACIVSA-N -1 3 356.325 2.970 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC001248281460 1040205657 /nfs/dbraw/zinc/20/56/57/1040205657.db2.gz JIOOFHBOMPOFTQ-GUYCJALGSA-N -1 3 371.462 2.788 20 30 FFEDHM N#Cc1c([N-]C(=O)c2csc(C(F)(F)F)n2)ncc2c1COCC2 ZINC001262094743 1041553838 /nfs/dbraw/zinc/55/38/38/1041553838.db2.gz YWUXMSCKSSQVRU-UHFFFAOYSA-N -1 3 354.313 2.754 20 30 FFEDHM N#CCN1CCC(Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC001262683098 1041792022 /nfs/dbraw/zinc/79/20/22/1041792022.db2.gz WIVRTQISFSBKQG-UHFFFAOYSA-N -1 3 370.478 2.887 20 30 FFEDHM Cc1ccnc(Oc2cc(NC(=O)N[C@@H]3CCCN([O-])C3=O)ccc2C)c1 ZINC001215477309 1041798871 /nfs/dbraw/zinc/79/88/71/1041798871.db2.gz JNTXTOGUTGVVBC-OAHLLOKOSA-N -1 3 370.409 2.992 20 30 FFEDHM CC(C)(C)[C@H]1CCc2nc(NC(=O)N[C@H]3CCCN([O-])C3=O)sc2C1 ZINC001310635630 1043715662 /nfs/dbraw/zinc/71/56/62/1043715662.db2.gz KJBAOLXGKWMSDC-JQWIXIFHSA-N -1 3 366.487 2.796 20 30 FFEDHM COc1cc(C(=O)[O-])cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001244173021 1045100980 /nfs/dbraw/zinc/10/09/80/1045100980.db2.gz LEPDOXLFFXXECA-CQSZACIVSA-N -1 3 369.377 2.799 20 30 FFEDHM CC(C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn(C)c1 ZINC001317760778 1045133213 /nfs/dbraw/zinc/13/32/13/1045133213.db2.gz RTPKBBSMSISZHE-UHFFFAOYSA-N -1 3 357.439 2.553 20 30 FFEDHM C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nccn1-c1ccccc1 ZINC001323678473 1045681082 /nfs/dbraw/zinc/68/10/82/1045681082.db2.gz UGUJJZGBCUBYQA-CYBMUJFWSA-N -1 3 352.419 2.672 20 30 FFEDHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC001323037314 1046316845 /nfs/dbraw/zinc/31/68/45/1046316845.db2.gz DGNCCEURFXJEGL-UHFFFAOYSA-N -1 3 352.438 2.980 20 30 FFEDHM CCc1ccc([C@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)N(C)C)cc1 ZINC001540529143 1070918338 /nfs/dbraw/zinc/91/83/38/1070918338.db2.gz KDMCKSNMORKKAZ-KRWDZBQOSA-N -1 3 352.438 2.562 20 30 FFEDHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC001339852592 1050269770 /nfs/dbraw/zinc/26/97/70/1050269770.db2.gz COWLKGPKMANZHH-SFHVURJKSA-N -1 3 356.447 2.997 20 30 FFEDHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@](F)(C#N)C1 ZINC001340010404 1050421519 /nfs/dbraw/zinc/42/15/19/1050421519.db2.gz GHCFXTNIRTVGEN-KRWDZBQOSA-N -1 3 363.824 2.884 20 30 FFEDHM C=CCCONC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001301633360 1050940281 /nfs/dbraw/zinc/94/02/81/1050940281.db2.gz RTQNPERCYINIAA-UHFFFAOYSA-N -1 3 364.398 2.864 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@@H](CC)C1 ZINC001342533074 1051137112 /nfs/dbraw/zinc/13/71/12/1051137112.db2.gz JJFMXRUIVIOGES-JTQLQIEISA-N -1 3 353.883 2.625 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@@H](CC)C1 ZINC001342533074 1051137115 /nfs/dbraw/zinc/13/71/15/1051137115.db2.gz JJFMXRUIVIOGES-JTQLQIEISA-N -1 3 353.883 2.625 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001342853029 1051460334 /nfs/dbraw/zinc/46/03/34/1051460334.db2.gz OLOICBDGOHYXGF-QGZVFWFLSA-N -1 3 361.471 2.938 20 30 FFEDHM O=C(c1csc(C2CC2)n1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892581 1052213512 /nfs/dbraw/zinc/21/35/12/1052213512.db2.gz JAIQTUFIMZRSFZ-UHFFFAOYSA-N -1 3 371.418 2.538 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001306896793 1052214615 /nfs/dbraw/zinc/21/46/15/1052214615.db2.gz MGFWTAAKGUTDFP-AUUYWEPGSA-N -1 3 367.490 2.921 20 30 FFEDHM O=C(c1cnn2c1nccc2-c1cccnc1)N([O-])Cc1ccc(F)cc1 ZINC001306898840 1052216703 /nfs/dbraw/zinc/21/67/03/1052216703.db2.gz ROPRTLJCROXNDE-UHFFFAOYSA-N -1 3 363.352 2.962 20 30 FFEDHM C=CCN(c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1)C1CC1 ZINC001344094005 1052592024 /nfs/dbraw/zinc/59/20/24/1052592024.db2.gz XMNWXRYPSZCMPK-UHFFFAOYSA-N -1 3 362.437 2.952 20 30 FFEDHM CO[C@H](C[C@@H](NCc1cc(C#N)ccc1Br)C(=O)[O-])C1CC1 ZINC001335194730 1053252589 /nfs/dbraw/zinc/25/25/89/1053252589.db2.gz ZWYVECIHSIJDIY-HUUCEWRRSA-N -1 3 367.243 2.679 20 30 FFEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc2c(c1)OCO2)c1cccc(F)n1 ZINC001347203916 1053719039 /nfs/dbraw/zinc/71/90/39/1053719039.db2.gz MXLZOOQWOSXOTL-NSHDSACASA-N -1 3 350.309 2.830 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001351790531 1055002378 /nfs/dbraw/zinc/00/23/78/1055002378.db2.gz TYSJUXAHPNAMDC-SMDDNHRTSA-N -1 3 373.438 2.853 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(F)c1Br ZINC001337906066 1055094296 /nfs/dbraw/zinc/09/42/96/1055094296.db2.gz DVOCKSYVDGUDQW-VIFPVBQESA-N -1 3 351.179 2.882 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C(C)(C)C)n2)cc1OC ZINC000847623639 1056196403 /nfs/dbraw/zinc/19/64/03/1056196403.db2.gz CVEODDNEPWODFH-CYBMUJFWSA-N -1 3 370.409 2.616 20 30 FFEDHM C=CCc1cc(C(=O)Nc2cc(C(=O)OCC)n[n-]2)cc(OC)c1OC ZINC000537546178 1056766142 /nfs/dbraw/zinc/76/61/42/1056766142.db2.gz BYTBSBMTOUBKLS-UHFFFAOYSA-N -1 3 359.382 2.584 20 30 FFEDHM C=CCc1cc(C(=O)Nc2cc(C(=O)OCC)[n-]n2)cc(OC)c1OC ZINC000537546178 1056766152 /nfs/dbraw/zinc/76/61/52/1056766152.db2.gz BYTBSBMTOUBKLS-UHFFFAOYSA-N -1 3 359.382 2.584 20 30 FFEDHM N#Cc1ccc2[nH]c(NC(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)nc2c1 ZINC001454328518 1059503109 /nfs/dbraw/zinc/50/31/09/1059503109.db2.gz NTTHKMUZSAPAAD-UHFFFAOYSA-N -1 3 365.299 2.807 20 30 FFEDHM Cc1nn(CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c2ncccc12 ZINC001515768096 1059786399 /nfs/dbraw/zinc/78/63/99/1059786399.db2.gz PMKVRLXKYHKRIO-KRWDZBQOSA-N -1 3 358.401 2.750 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1Br ZINC001456324419 1060087381 /nfs/dbraw/zinc/08/73/81/1060087381.db2.gz RCEBJZUGHFPAJU-UHFFFAOYSA-N -1 3 359.183 2.946 20 30 FFEDHM COC(=O)c1cc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c([O-])c(OC)c1 ZINC001456746188 1060187096 /nfs/dbraw/zinc/18/70/96/1060187096.db2.gz GHEBIJPRBQMABA-LBPRGKRZSA-N -1 3 368.389 2.876 20 30 FFEDHM CC[C@@H](C#N)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001457014508 1060254300 /nfs/dbraw/zinc/25/43/00/1060254300.db2.gz ITUIWGBMTVSMCU-ZETCQYMHSA-N -1 3 365.187 2.600 20 30 FFEDHM COCCOCCc1nc(C(=O)N([O-])Cc2cccc3ccccc32)c[nH]1 ZINC001458020208 1060490807 /nfs/dbraw/zinc/49/08/07/1060490807.db2.gz ZNGMMUXQOHJXOU-UHFFFAOYSA-N -1 3 369.421 2.800 20 30 FFEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccco2)cc1 ZINC001463895294 1062318250 /nfs/dbraw/zinc/31/82/50/1062318250.db2.gz UQWREMCLAQGKPC-QGZVFWFLSA-N -1 3 358.375 2.821 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001575187303 1078114075 /nfs/dbraw/zinc/11/40/75/1078114075.db2.gz ANFUIYMWHPEVGC-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001575187303 1078114077 /nfs/dbraw/zinc/11/40/77/1078114077.db2.gz ANFUIYMWHPEVGC-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM O=C(C=Cc1ccc(F)cc1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472289361 1065004274 /nfs/dbraw/zinc/00/42/74/1065004274.db2.gz XZGXKHSTKURRJD-IPWHWATLSA-N -1 3 369.396 2.746 20 30 FFEDHM COC(=O)c1cc2nc(NC(=O)C#CC(C)C)[n-]c2c(Br)c1 ZINC001472309493 1065010229 /nfs/dbraw/zinc/01/02/29/1065010229.db2.gz AZGYYAAFLDZMTI-UHFFFAOYSA-N -1 3 364.199 2.710 20 30 FFEDHM N#Cc1ccc(N2C[C@@H](C(=O)N([O-])Cc3ccccc3Cl)CC2=O)cc1 ZINC001472618736 1065112840 /nfs/dbraw/zinc/11/28/40/1065112840.db2.gz GGKXEYYGNUYIKL-HNNXBMFYSA-N -1 3 369.808 2.983 20 30 FFEDHM C[C@@H]1CC[C@H](C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC001472618644 1065112866 /nfs/dbraw/zinc/11/28/66/1065112866.db2.gz BDWQTOXNMDHYDG-KFWWJZLASA-N -1 3 358.438 2.963 20 30 FFEDHM CC(C)c1ccc(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)nc1 ZINC001472618735 1065112881 /nfs/dbraw/zinc/11/28/81/1065112881.db2.gz GFUGDTQAMUBDRZ-UHFFFAOYSA-N -1 3 367.405 2.723 20 30 FFEDHM CCCCN([O-])C(=O)c1nnn(-c2cccc(Br)c2)c1C ZINC001472621110 1065113237 /nfs/dbraw/zinc/11/32/37/1065113237.db2.gz HRTTZIBXDVUVSF-UHFFFAOYSA-N -1 3 353.220 2.970 20 30 FFEDHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc(NC(C)=O)c1OC ZINC001472622344 1065113935 /nfs/dbraw/zinc/11/39/35/1065113935.db2.gz ITZUPNKQJMMDSW-UHFFFAOYSA-N -1 3 362.357 2.833 20 30 FFEDHM CCc1ccc([C@H](C#N)N(C)C(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001578522324 1078487255 /nfs/dbraw/zinc/48/72/55/1078487255.db2.gz AMRFJXLLVRHGBK-HNNXBMFYSA-N -1 3 352.423 2.827 20 30 FFEDHM CCc1ccc([C@H](C#N)N(C)C(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001578522324 1078487257 /nfs/dbraw/zinc/48/72/57/1078487257.db2.gz AMRFJXLLVRHGBK-HNNXBMFYSA-N -1 3 352.423 2.827 20 30 FFEDHM Cc1cc(NC(=O)C(=O)C=Cc2ccc(F)cc2)cc(-c2nnn[n-]2)c1 ZINC001580978245 1078901456 /nfs/dbraw/zinc/90/14/56/1078901456.db2.gz ODTFWOAAJJVBSE-DAXSKMNVSA-N -1 3 351.341 2.535 20 30 FFEDHM Cc1cc(NC(=O)C(=O)C=Cc2ccc(F)cc2)cc(-c2nn[n-]n2)c1 ZINC001580978245 1078901468 /nfs/dbraw/zinc/90/14/68/1078901468.db2.gz ODTFWOAAJJVBSE-DAXSKMNVSA-N -1 3 351.341 2.535 20 30 FFEDHM COc1c(F)nccc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC001583134105 1079169289 /nfs/dbraw/zinc/16/92/89/1079169289.db2.gz ARJJZLPBCUOQRF-UHFFFAOYSA-N -1 3 350.693 2.915 20 30 FFEDHM CCOC(=O)c1ccc(-c2ccc(CN[C@@H]3CCCN([O-])C3=O)o2)cc1 ZINC001560913600 1076309152 /nfs/dbraw/zinc/30/91/52/1076309152.db2.gz XOGCVXUJLGYHTM-MRXNPFEDSA-N -1 3 358.394 2.593 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC001569676679 1077158490 /nfs/dbraw/zinc/15/84/90/1077158490.db2.gz XMFUEFLYJPEUKQ-CYBMUJFWSA-N -1 3 361.785 2.637 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC001573904394 1077841887 /nfs/dbraw/zinc/84/18/87/1077841887.db2.gz QVPGSLDKKCMECV-UHFFFAOYSA-N -1 3 352.423 2.551 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001573904394 1077841891 /nfs/dbraw/zinc/84/18/91/1077841891.db2.gz QVPGSLDKKCMECV-UHFFFAOYSA-N -1 3 352.423 2.551 20 30 FFEDHM CC(C)(NC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1cccc(C#N)c1 ZINC001573920461 1077847649 /nfs/dbraw/zinc/84/76/49/1077847649.db2.gz REBWYYSFUVNHHI-UHFFFAOYSA-N -1 3 367.438 2.534 20 30 FFEDHM N#Cc1ccc(Cn2cc(NC(=O)Cc3ccc([O-])c(F)c3)cn2)cc1 ZINC001587769919 1079860881 /nfs/dbraw/zinc/86/08/81/1079860881.db2.gz NNJZTBSMJOSRGU-UHFFFAOYSA-N -1 3 350.353 2.829 20 30 FFEDHM C#C[C@@H](NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329632 1079985008 /nfs/dbraw/zinc/98/50/08/1079985008.db2.gz KGCGJXNNSNECTE-QGZVFWFLSA-N -1 3 360.421 2.776 20 30 FFEDHM C#C[C@@H](NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329632 1079985012 /nfs/dbraw/zinc/98/50/12/1079985012.db2.gz KGCGJXNNSNECTE-QGZVFWFLSA-N -1 3 360.421 2.776 20 30 FFEDHM C#C[C@H](NC(=O)Nc1scc(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588330124 1079987622 /nfs/dbraw/zinc/98/76/22/1079987622.db2.gz VIACCGQJAFIDNI-LBPRGKRZSA-N -1 3 356.386 2.872 20 30 FFEDHM C#C[C@H](NC(=O)Nc1scc(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588330124 1079987625 /nfs/dbraw/zinc/98/76/25/1079987625.db2.gz VIACCGQJAFIDNI-LBPRGKRZSA-N -1 3 356.386 2.872 20 30 FFEDHM C#CCCC[C@@H](C)OC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588342419 1079990415 /nfs/dbraw/zinc/99/04/15/1079990415.db2.gz YTKOPDZKBHWNJM-SECBINFHSA-N -1 3 353.304 2.629 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC001588337606 1079990595 /nfs/dbraw/zinc/99/05/95/1079990595.db2.gz SXKWSTYFTMJWLW-CQSZACIVSA-N -1 3 374.404 2.539 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC001588337606 1079990600 /nfs/dbraw/zinc/99/06/00/1079990600.db2.gz SXKWSTYFTMJWLW-CQSZACIVSA-N -1 3 374.404 2.539 20 30 FFEDHM C#CCCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588347065 1079990831 /nfs/dbraw/zinc/99/08/31/1079990831.db2.gz HOTFEXGGRCLTLI-AWEZNQCLSA-N -1 3 361.405 2.760 20 30 FFEDHM C#CCCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588347065 1079990837 /nfs/dbraw/zinc/99/08/37/1079990837.db2.gz HOTFEXGGRCLTLI-AWEZNQCLSA-N -1 3 361.405 2.760 20 30 FFEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCC=C ZINC001588350686 1079992397 /nfs/dbraw/zinc/99/23/97/1079992397.db2.gz LFVZKFSLPJNOCS-UHFFFAOYSA-N -1 3 362.441 2.551 20 30 FFEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCC=C ZINC001588350686 1079992405 /nfs/dbraw/zinc/99/24/05/1079992405.db2.gz LFVZKFSLPJNOCS-UHFFFAOYSA-N -1 3 362.441 2.551 20 30 FFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001588381416 1079998937 /nfs/dbraw/zinc/99/89/37/1079998937.db2.gz BAMYJBQZFQYDNP-GOSISDBHSA-N -1 3 364.409 2.871 20 30 FFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001588381416 1079998943 /nfs/dbraw/zinc/99/89/43/1079998943.db2.gz BAMYJBQZFQYDNP-GOSISDBHSA-N -1 3 364.409 2.871 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588392020 1080002300 /nfs/dbraw/zinc/00/23/00/1080002300.db2.gz UDGXFOHAJTWVAZ-ZIAGYGMSSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588392020 1080002313 /nfs/dbraw/zinc/00/23/13/1080002313.db2.gz UDGXFOHAJTWVAZ-ZIAGYGMSSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588391447 1080004030 /nfs/dbraw/zinc/00/40/30/1080004030.db2.gz LNSQGFNORILHQW-INIZCTEOSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588391447 1080004039 /nfs/dbraw/zinc/00/40/39/1080004039.db2.gz LNSQGFNORILHQW-INIZCTEOSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588392446 1080004789 /nfs/dbraw/zinc/00/47/89/1080004789.db2.gz ZZOXLDHMIVTRBT-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588392446 1080004798 /nfs/dbraw/zinc/00/47/98/1080004798.db2.gz ZZOXLDHMIVTRBT-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588394844 1080006321 /nfs/dbraw/zinc/00/63/21/1080006321.db2.gz ZIFOMCSJEOVEEM-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588394844 1080006330 /nfs/dbraw/zinc/00/63/30/1080006330.db2.gz ZIFOMCSJEOVEEM-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588396956 1080009153 /nfs/dbraw/zinc/00/91/53/1080009153.db2.gz RNNIFOVUQQQQKG-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588396956 1080009161 /nfs/dbraw/zinc/00/91/61/1080009161.db2.gz RNNIFOVUQQQQKG-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1)OCC ZINC001588400934 1080010255 /nfs/dbraw/zinc/01/02/55/1080010255.db2.gz JEQUPEWZYBAUNR-OAHLLOKOSA-N -1 3 352.398 2.725 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1)OCC ZINC001588400934 1080010264 /nfs/dbraw/zinc/01/02/64/1080010264.db2.gz JEQUPEWZYBAUNR-OAHLLOKOSA-N -1 3 352.398 2.725 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588410326 1080013251 /nfs/dbraw/zinc/01/32/51/1080013251.db2.gz OKWRLPNKDNMTFU-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588410326 1080013259 /nfs/dbraw/zinc/01/32/59/1080013259.db2.gz OKWRLPNKDNMTFU-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=C(C)CCC(=O)NCC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588417819 1080020560 /nfs/dbraw/zinc/02/05/60/1080020560.db2.gz HPUVTNXMQLPOLL-UHFFFAOYSA-N -1 3 372.448 2.695 20 30 FFEDHM C=C(C)CCC(=O)NCC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588417819 1080020568 /nfs/dbraw/zinc/02/05/68/1080020568.db2.gz HPUVTNXMQLPOLL-UHFFFAOYSA-N -1 3 372.448 2.695 20 30 FFEDHM C=C(C)CN(CC(=O)Nc1sccc1-c1nnn[n-]1)Cc1ccccc1 ZINC001588425667 1080023701 /nfs/dbraw/zinc/02/37/01/1080023701.db2.gz OJURYRSNSUSSRA-UHFFFAOYSA-N -1 3 368.466 2.945 20 30 FFEDHM C=C(C)CN(CC(=O)Nc1sccc1-c1nn[n-]n1)Cc1ccccc1 ZINC001588425667 1080023710 /nfs/dbraw/zinc/02/37/10/1080023710.db2.gz OJURYRSNSUSSRA-UHFFFAOYSA-N -1 3 368.466 2.945 20 30 FFEDHM C=C(Cl)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]1C ZINC001588448002 1080030986 /nfs/dbraw/zinc/03/09/86/1080030986.db2.gz PSMXLWRNHNFDMZ-GFCCVEGCSA-N -1 3 370.848 2.866 20 30 FFEDHM C=C(Cl)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]1C ZINC001588448002 1080030997 /nfs/dbraw/zinc/03/09/97/1080030997.db2.gz PSMXLWRNHNFDMZ-GFCCVEGCSA-N -1 3 370.848 2.866 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588476141 1080043683 /nfs/dbraw/zinc/04/36/83/1080043683.db2.gz RMMNYOUDLFREDT-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588476141 1080043689 /nfs/dbraw/zinc/04/36/89/1080043689.db2.gz RMMNYOUDLFREDT-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CC(=O)NC/C=C/CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588483342 1080046273 /nfs/dbraw/zinc/04/62/73/1080046273.db2.gz GYZAYPBVQQBHSF-AATRIKPKSA-N -1 3 358.421 2.692 20 30 FFEDHM C=CC(C)(C)CC(=O)NC/C=C/CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588483342 1080046284 /nfs/dbraw/zinc/04/62/84/1080046284.db2.gz GYZAYPBVQQBHSF-AATRIKPKSA-N -1 3 358.421 2.692 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588484393 1080048919 /nfs/dbraw/zinc/04/89/19/1080048919.db2.gz CABRFZPZELFSHV-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588484393 1080048924 /nfs/dbraw/zinc/04/89/24/1080048924.db2.gz CABRFZPZELFSHV-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@H](CC(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001588519287 1080071149 /nfs/dbraw/zinc/07/11/49/1080071149.db2.gz WURMNVVBBGOMPI-HNNXBMFYSA-N -1 3 374.448 2.849 20 30 FFEDHM C=C[C@@H](CC(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001588519287 1080071154 /nfs/dbraw/zinc/07/11/54/1080071154.db2.gz WURMNVVBBGOMPI-HNNXBMFYSA-N -1 3 374.448 2.849 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588519320 1080071176 /nfs/dbraw/zinc/07/11/76/1080071176.db2.gz XKYNSJKNLUDOCC-CQSZACIVSA-N -1 3 371.489 2.761 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588519320 1080071182 /nfs/dbraw/zinc/07/11/82/1080071182.db2.gz XKYNSJKNLUDOCC-CQSZACIVSA-N -1 3 371.489 2.761 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588521489 1080075161 /nfs/dbraw/zinc/07/51/61/1080075161.db2.gz OCEAWLIFMGUPKK-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588521489 1080075170 /nfs/dbraw/zinc/07/51/70/1080075170.db2.gz OCEAWLIFMGUPKK-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC[C@@H](C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588529548 1080079404 /nfs/dbraw/zinc/07/94/04/1080079404.db2.gz BWADDOGHSBKXNR-RTBURBONSA-N -1 3 359.433 2.810 20 30 FFEDHM C=CC[C@@H](C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588529548 1080079413 /nfs/dbraw/zinc/07/94/13/1080079413.db2.gz BWADDOGHSBKXNR-RTBURBONSA-N -1 3 359.433 2.810 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588532625 1080081833 /nfs/dbraw/zinc/08/18/33/1080081833.db2.gz AYZQQGWINWCJMJ-CQSZACIVSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588532625 1080081836 /nfs/dbraw/zinc/08/18/36/1080081836.db2.gz AYZQQGWINWCJMJ-CQSZACIVSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)CNC(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588539177 1080085777 /nfs/dbraw/zinc/08/57/77/1080085777.db2.gz AZBZGAHVHKKVJY-INIZCTEOSA-N -1 3 370.457 2.552 20 30 FFEDHM C=CCC(C)(C)CNC(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588539177 1080085784 /nfs/dbraw/zinc/08/57/84/1080085784.db2.gz AZBZGAHVHKKVJY-INIZCTEOSA-N -1 3 370.457 2.552 20 30 FFEDHM C=CCC(CC=C)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588544701 1080088589 /nfs/dbraw/zinc/08/85/89/1080088589.db2.gz PYLKQZLDSACSNM-UHFFFAOYSA-N -1 3 367.453 2.757 20 30 FFEDHM C=CCC(CC=C)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588544701 1080088597 /nfs/dbraw/zinc/08/85/97/1080088597.db2.gz PYLKQZLDSACSNM-UHFFFAOYSA-N -1 3 367.453 2.757 20 30 FFEDHM C=CCC1(C(=O)N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588548547 1080090586 /nfs/dbraw/zinc/09/05/86/1080090586.db2.gz FLGQBPADRCSIKJ-CQSZACIVSA-N -1 3 355.442 2.759 20 30 FFEDHM C=CCC1(C(=O)N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588548547 1080090595 /nfs/dbraw/zinc/09/05/95/1080090595.db2.gz FLGQBPADRCSIKJ-CQSZACIVSA-N -1 3 355.442 2.759 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CCNc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588551871 1080091191 /nfs/dbraw/zinc/09/11/91/1080091191.db2.gz KAKYVSXBYMUQPB-CQSZACIVSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CCNc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588551871 1080091199 /nfs/dbraw/zinc/09/11/99/1080091199.db2.gz KAKYVSXBYMUQPB-CQSZACIVSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(O)CCN(c2cccc(Br)c2-c2nnn[n-]2)CC1 ZINC001588560968 1080098427 /nfs/dbraw/zinc/09/84/27/1080098427.db2.gz WQOMJNBVCGOTPM-UHFFFAOYSA-N -1 3 364.247 2.537 20 30 FFEDHM C=CCC1(O)CCN(c2cccc(Br)c2-c2nn[n-]n2)CC1 ZINC001588560968 1080098433 /nfs/dbraw/zinc/09/84/33/1080098433.db2.gz WQOMJNBVCGOTPM-UHFFFAOYSA-N -1 3 364.247 2.537 20 30 FFEDHM C=CC[C@@H]1N(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCC1(C)C ZINC001588565273 1080100168 /nfs/dbraw/zinc/10/01/68/1080100168.db2.gz YCRWUHNOPIJHNM-INIZCTEOSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CCC[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588578804 1080105998 /nfs/dbraw/zinc/10/59/98/1080105998.db2.gz GGFRJBRGKPCENJ-CQSZACIVSA-N -1 3 356.430 2.516 20 30 FFEDHM C=CCC[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588578804 1080106000 /nfs/dbraw/zinc/10/60/00/1080106000.db2.gz GGFRJBRGKPCENJ-CQSZACIVSA-N -1 3 356.430 2.516 20 30 FFEDHM C=CCCC1(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588579339 1080107253 /nfs/dbraw/zinc/10/72/53/1080107253.db2.gz LXYZTHXCDPUDGZ-UHFFFAOYSA-N -1 3 354.458 2.921 20 30 FFEDHM C=CCCC[C@H]1NC(=O)N([C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1=O ZINC001588594535 1080117409 /nfs/dbraw/zinc/11/74/09/1080117409.db2.gz VSHMVPXPGLEGIC-HZPDHXFCSA-N -1 3 366.425 2.521 20 30 FFEDHM C=CCCC[C@H]1NC(=O)N([C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1=O ZINC001588594535 1080117413 /nfs/dbraw/zinc/11/74/13/1080117413.db2.gz VSHMVPXPGLEGIC-HZPDHXFCSA-N -1 3 366.425 2.521 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(OC)CCCCC1 ZINC001588638666 1080132383 /nfs/dbraw/zinc/13/23/83/1080132383.db2.gz GVRJJNCBSHLLKF-UHFFFAOYSA-N -1 3 355.442 2.731 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(OC)CCCCC1 ZINC001588638666 1080132386 /nfs/dbraw/zinc/13/23/86/1080132386.db2.gz GVRJJNCBSHLLKF-UHFFFAOYSA-N -1 3 355.442 2.731 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H]1CC1(F)F ZINC001588641279 1080134505 /nfs/dbraw/zinc/13/45/05/1080134505.db2.gz AVQIHWFFLVASJK-AWEZNQCLSA-N -1 3 362.384 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@H]1CC1(F)F ZINC001588641279 1080134511 /nfs/dbraw/zinc/13/45/11/1080134511.db2.gz AVQIHWFFLVASJK-AWEZNQCLSA-N -1 3 362.384 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(C2CC2)o1 ZINC001588648836 1080139842 /nfs/dbraw/zinc/13/98/42/1080139842.db2.gz VIGRZOZVNSQZML-UHFFFAOYSA-N -1 3 350.382 2.561 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(C2CC2)o1 ZINC001588648836 1080139847 /nfs/dbraw/zinc/13/98/47/1080139847.db2.gz VIGRZOZVNSQZML-UHFFFAOYSA-N -1 3 350.382 2.561 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001588777470 1080192257 /nfs/dbraw/zinc/19/22/57/1080192257.db2.gz ZSZQIHGCPMOHFA-UHFFFAOYSA-N -1 3 371.788 2.942 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001588777470 1080192259 /nfs/dbraw/zinc/19/22/59/1080192259.db2.gz ZSZQIHGCPMOHFA-UHFFFAOYSA-N -1 3 371.788 2.942 20 30 FFEDHM CC(N=Nc1ncccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588781076 1080193464 /nfs/dbraw/zinc/19/34/64/1080193464.db2.gz BUJMTLLFZVJPSH-UHFFFAOYSA-N -1 3 358.749 2.659 20 30 FFEDHM CC(N=Nc1ncccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588781076 1080193467 /nfs/dbraw/zinc/19/34/67/1080193467.db2.gz BUJMTLLFZVJPSH-UHFFFAOYSA-N -1 3 358.749 2.659 20 30 FFEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001588906583 1080254503 /nfs/dbraw/zinc/25/45/03/1080254503.db2.gz AWGUSPFENKVQAW-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001588906583 1080254512 /nfs/dbraw/zinc/25/45/12/1080254512.db2.gz AWGUSPFENKVQAW-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM C[C@@H](C#N)CN(C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)C1CC1 ZINC001588930688 1080270035 /nfs/dbraw/zinc/27/00/35/1080270035.db2.gz GIKBTZLAFNCLPN-NSHDSACASA-N -1 3 351.414 2.900 20 30 FFEDHM C[C@@H](C#N)CN(C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)C1CC1 ZINC001588930688 1080270040 /nfs/dbraw/zinc/27/00/40/1080270040.db2.gz GIKBTZLAFNCLPN-NSHDSACASA-N -1 3 351.414 2.900 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C#N)ccc1F ZINC001589343093 1080490745 /nfs/dbraw/zinc/49/07/45/1080490745.db2.gz IHLBNFYXJGYDGC-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001589487428 1080559374 /nfs/dbraw/zinc/55/93/74/1080559374.db2.gz CJABYDCEEGBJAO-KRWDZBQOSA-N -1 3 363.377 2.747 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001589487428 1080559383 /nfs/dbraw/zinc/55/93/83/1080559383.db2.gz CJABYDCEEGBJAO-KRWDZBQOSA-N -1 3 363.377 2.747 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1-c1nnn[n-]1 ZINC001589758145 1080712507 /nfs/dbraw/zinc/71/25/07/1080712507.db2.gz RHPQTWOLTDFCRV-UHFFFAOYSA-N -1 3 366.356 2.917 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1-c1nn[n-]n1 ZINC001589758145 1080712514 /nfs/dbraw/zinc/71/25/14/1080712514.db2.gz RHPQTWOLTDFCRV-UHFFFAOYSA-N -1 3 366.356 2.917 20 30 FFEDHM C[C@H](CC#N)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001589787347 1080741591 /nfs/dbraw/zinc/74/15/91/1080741591.db2.gz POOXIKSCDCZWLA-CYBMUJFWSA-N -1 3 362.393 2.934 20 30 FFEDHM C[C@H](CC#N)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001589787347 1080741602 /nfs/dbraw/zinc/74/16/02/1080741602.db2.gz POOXIKSCDCZWLA-CYBMUJFWSA-N -1 3 362.393 2.934 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC001589892765 1080837785 /nfs/dbraw/zinc/83/77/85/1080837785.db2.gz XUBAZMDJBSWLHB-CQSZACIVSA-N -1 3 360.421 2.576 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC001589892765 1080837796 /nfs/dbraw/zinc/83/77/96/1080837796.db2.gz XUBAZMDJBSWLHB-CQSZACIVSA-N -1 3 360.421 2.576 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589896542 1080845269 /nfs/dbraw/zinc/84/52/69/1080845269.db2.gz ICGOSEFKZOUUCT-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589896542 1080845271 /nfs/dbraw/zinc/84/52/71/1080845271.db2.gz ICGOSEFKZOUUCT-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589945082 1080887214 /nfs/dbraw/zinc/88/72/14/1080887214.db2.gz FMEYDMOUMXEVDB-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589945082 1080887219 /nfs/dbraw/zinc/88/72/19/1080887219.db2.gz FMEYDMOUMXEVDB-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001590003348 1080930204 /nfs/dbraw/zinc/93/02/04/1080930204.db2.gz MVJPZFFACXLVGY-FZKQIMNGSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001590003348 1080930210 /nfs/dbraw/zinc/93/02/10/1080930210.db2.gz MVJPZFFACXLVGY-FZKQIMNGSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC001590003796 1080930729 /nfs/dbraw/zinc/93/07/29/1080930729.db2.gz QABHVBGSBGPQHE-UGSOOPFHSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC001590003796 1080930733 /nfs/dbraw/zinc/93/07/33/1080930733.db2.gz QABHVBGSBGPQHE-UGSOOPFHSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001590033061 1080958220 /nfs/dbraw/zinc/95/82/20/1080958220.db2.gz MNSFLTIVEDGPJB-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001590033061 1080958223 /nfs/dbraw/zinc/95/82/23/1080958223.db2.gz MNSFLTIVEDGPJB-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590048485 1080977633 /nfs/dbraw/zinc/97/76/33/1080977633.db2.gz IEBBEQSOVRWEFS-AWEZNQCLSA-N -1 3 372.432 2.990 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590048485 1080977637 /nfs/dbraw/zinc/97/76/37/1080977637.db2.gz IEBBEQSOVRWEFS-AWEZNQCLSA-N -1 3 372.432 2.990 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001590050440 1080979912 /nfs/dbraw/zinc/97/99/12/1080979912.db2.gz RXDJXIVRGMJQOK-SNVBAGLBSA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001590050440 1080979916 /nfs/dbraw/zinc/97/99/16/1080979916.db2.gz RXDJXIVRGMJQOK-SNVBAGLBSA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@@H]1CCC[C@@H](CCNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590245320 1081119021 /nfs/dbraw/zinc/11/90/21/1081119021.db2.gz ZVRRDHRXVNKXCV-RVKKMQEKSA-N -1 3 366.469 2.882 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3coc(C#N)c3)c2-c2nnn[n-]2)C1 ZINC001590280179 1081136635 /nfs/dbraw/zinc/13/66/35/1081136635.db2.gz RVEVUVQCNBSSPY-MRVPVSSYSA-N -1 3 354.395 2.770 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3coc(C#N)c3)c2-c2nn[n-]n2)C1 ZINC001590280179 1081136638 /nfs/dbraw/zinc/13/66/38/1081136638.db2.gz RVEVUVQCNBSSPY-MRVPVSSYSA-N -1 3 354.395 2.770 20 30 FFEDHM COC(=O)c1cccc(CN[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1C#N ZINC001606615833 1126232093 /nfs/dbraw/zinc/23/20/93/1126232093.db2.gz BDSVIIHWIKQGRQ-FQEVSTJZSA-N -1 3 370.380 2.660 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1F ZINC000105921129 210137244 /nfs/dbraw/zinc/13/72/44/210137244.db2.gz LDSNGDPMBCFADH-XJKCOSOUSA-N -1 3 368.474 2.845 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC)c(OCC(F)(F)F)c1 ZINC000416958651 514068351 /nfs/dbraw/zinc/06/83/51/514068351.db2.gz YGADMHADZJUUFK-JTQLQIEISA-N -1 3 352.334 2.680 20 30 FFEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccccc3C#N)cc2)n1 ZINC000068225146 249709182 /nfs/dbraw/zinc/70/91/82/249709182.db2.gz AOHKLACNWIOEDC-UHFFFAOYSA-N -1 3 360.373 2.635 20 30 FFEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1[N+](=O)[O-] ZINC000015629550 211134190 /nfs/dbraw/zinc/13/41/90/211134190.db2.gz VMPKRXCBDNURPU-UHFFFAOYSA-N -1 3 354.366 2.651 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1nc(C(C)(C)C)cs1 ZINC000106893191 250295987 /nfs/dbraw/zinc/29/59/87/250295987.db2.gz LHABRVUIUSNLAH-JTQLQIEISA-N -1 3 350.469 2.747 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](Sc3n[n-]c(-c4ccccn4)n3)C2=O)cc1 ZINC000117112316 250335327 /nfs/dbraw/zinc/33/53/27/250335327.db2.gz PKELDHFHOCWZDD-HNNXBMFYSA-N -1 3 362.418 2.636 20 30 FFEDHM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c([O-])c1 ZINC000271441945 251794651 /nfs/dbraw/zinc/79/46/51/251794651.db2.gz RCQLFPQJCVTGRN-AWEZNQCLSA-N -1 3 365.437 2.528 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000272228716 251986724 /nfs/dbraw/zinc/98/67/24/251986724.db2.gz WYJBBGQFXIEUIH-HOTGVXAUSA-N -1 3 359.470 2.918 20 30 FFEDHM COc1ccc(C#N)cc1NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C ZINC000273417143 252303251 /nfs/dbraw/zinc/30/32/51/252303251.db2.gz RCFFRXYBPYTIQE-NSHDSACASA-N -1 3 364.402 2.533 20 30 FFEDHM COc1ccc(C#N)cc1NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000273417143 252303256 /nfs/dbraw/zinc/30/32/56/252303256.db2.gz RCFFRXYBPYTIQE-NSHDSACASA-N -1 3 364.402 2.533 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000287894028 257126857 /nfs/dbraw/zinc/12/68/57/257126857.db2.gz RQZFRUKYYZCMHZ-JTQLQIEISA-N -1 3 373.272 2.557 20 30 FFEDHM CCOc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1OC(F)F ZINC000288383658 257182654 /nfs/dbraw/zinc/18/26/54/257182654.db2.gz ZTDTVUOVTDRJKQ-UHFFFAOYSA-N -1 3 372.349 2.630 20 30 FFEDHM Cc1nsc([N-]C(=O)Nc2ccc(CN3CCOC3=O)cc2)c1C#N ZINC000297365956 257823377 /nfs/dbraw/zinc/82/33/77/257823377.db2.gz HFTXSHVTYADCHV-UHFFFAOYSA-N -1 3 357.395 2.919 20 30 FFEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1N(C)C ZINC000106028922 222381169 /nfs/dbraw/zinc/38/11/69/222381169.db2.gz KQVUOXMJNXCQIL-UHFFFAOYSA-N -1 3 352.438 2.809 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)CCNC(=O)OC(C)(C)C)n[n-]1 ZINC000052778808 506248701 /nfs/dbraw/zinc/24/87/01/506248701.db2.gz YGAXUXMZYVMVCL-UHFFFAOYSA-N -1 3 361.402 2.983 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000045404809 506961304 /nfs/dbraw/zinc/96/13/04/506961304.db2.gz SGHMNWKKPCOQSE-UHFFFAOYSA-N -1 3 371.462 2.982 20 30 FFEDHM N#Cc1cccc([C@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)CCO2)c1 ZINC000371362834 512353674 /nfs/dbraw/zinc/35/36/74/512353674.db2.gz YAOPURYEHOUMKI-HXUWFJFHSA-N -1 3 359.385 2.613 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)[C@@H](C)CC)c1 ZINC000074563020 508035681 /nfs/dbraw/zinc/03/56/81/508035681.db2.gz ROISHTQMMQWMMK-BBRMVZONSA-N -1 3 354.472 2.544 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C(F)(F)F)CC1 ZINC000081312444 508160641 /nfs/dbraw/zinc/16/06/41/508160641.db2.gz HOPHMGAFTXJRCK-UHFFFAOYSA-N -1 3 355.360 2.597 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094131972 508169922 /nfs/dbraw/zinc/16/99/22/508169922.db2.gz BFNHIEHXWLYSJX-UHFFFAOYSA-N -1 3 366.483 2.972 20 30 FFEDHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)n1 ZINC000081756023 508209071 /nfs/dbraw/zinc/20/90/71/508209071.db2.gz CEVOYFYLMSZSRW-GFCCVEGCSA-N -1 3 359.430 2.921 20 30 FFEDHM COC(=O)Cc1nnc(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)[n-]1 ZINC000081756023 508209073 /nfs/dbraw/zinc/20/90/73/508209073.db2.gz CEVOYFYLMSZSRW-GFCCVEGCSA-N -1 3 359.430 2.921 20 30 FFEDHM COC(=O)Cc1nc(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)n[n-]1 ZINC000081756023 508209075 /nfs/dbraw/zinc/20/90/75/508209075.db2.gz CEVOYFYLMSZSRW-GFCCVEGCSA-N -1 3 359.430 2.921 20 30 FFEDHM CSc1nc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccn21 ZINC000076841924 508257446 /nfs/dbraw/zinc/25/74/46/508257446.db2.gz QDZARBPAFCBWRA-GFCCVEGCSA-N -1 3 366.450 2.864 20 30 FFEDHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C)NC1=O ZINC000103796120 508322502 /nfs/dbraw/zinc/32/25/02/508322502.db2.gz IDTHPZACPUQRNR-YPMHNXCESA-N -1 3 360.373 2.783 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000127582927 508472591 /nfs/dbraw/zinc/47/25/91/508472591.db2.gz XEVVHODTPTXDCD-ABAIWWIYSA-N -1 3 372.899 2.545 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000153117537 508550111 /nfs/dbraw/zinc/55/01/11/508550111.db2.gz BQMWNYIRICTZGU-UHFFFAOYSA-N -1 3 361.405 2.994 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccn(CCC(C)C)n1 ZINC000123026209 508624177 /nfs/dbraw/zinc/62/41/77/508624177.db2.gz OVMMFDNOLCSPPB-UHFFFAOYSA-N -1 3 355.442 2.677 20 30 FFEDHM Cc1cccc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000119204254 508747451 /nfs/dbraw/zinc/74/74/51/508747451.db2.gz PIOHUXKVXHLMCZ-LJQANCHMSA-N -1 3 364.449 2.863 20 30 FFEDHM N#CCCn1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000129885200 508777081 /nfs/dbraw/zinc/77/70/81/508777081.db2.gz CFYSXGGDARHBPM-UHFFFAOYSA-N -1 3 364.203 2.587 20 30 FFEDHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000124963810 508910778 /nfs/dbraw/zinc/91/07/78/508910778.db2.gz NKSLLMBHAVUMMQ-VXGBXAGGSA-N -1 3 369.468 2.809 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cc2ccccc2[nH]1 ZINC000120023953 508912170 /nfs/dbraw/zinc/91/21/70/508912170.db2.gz RGCKTGJVXPWLKY-UHFFFAOYSA-N -1 3 362.433 2.636 20 30 FFEDHM CCSc1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)ccn1 ZINC000188639764 509187881 /nfs/dbraw/zinc/18/78/81/509187881.db2.gz BMPPOKXYRTVGQB-UHFFFAOYSA-N -1 3 351.428 2.683 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)c3c(F)cc(C#N)cc3F)[n-]c21 ZINC000162509685 509240554 /nfs/dbraw/zinc/24/05/54/509240554.db2.gz WLBILOLDJLJCNN-UHFFFAOYSA-N -1 3 356.288 2.752 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(F)cc(C#N)cc3F)nc21 ZINC000162509685 509240560 /nfs/dbraw/zinc/24/05/60/509240560.db2.gz WLBILOLDJLJCNN-UHFFFAOYSA-N -1 3 356.288 2.752 20 30 FFEDHM N#Cc1cccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC000191906755 509241526 /nfs/dbraw/zinc/24/15/26/509241526.db2.gz HNBYMWZIQAHRNX-UHFFFAOYSA-N -1 3 367.346 2.943 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1C(=O)N(C)C ZINC000267572175 509547390 /nfs/dbraw/zinc/54/73/90/509547390.db2.gz KEUHMUIDQCRWMS-UHFFFAOYSA-N -1 3 367.405 2.516 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cc(Cl)cn1C ZINC000268141987 509778295 /nfs/dbraw/zinc/77/82/95/509778295.db2.gz TWJOSRCPCHDRTL-UHFFFAOYSA-N -1 3 360.845 2.859 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000186580829 509782487 /nfs/dbraw/zinc/78/24/87/509782487.db2.gz TYUQHVFKMNQQCC-BZNIZROVSA-N -1 3 370.858 2.877 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000180174637 509795058 /nfs/dbraw/zinc/79/50/58/509795058.db2.gz RLUPNAVEXOMPCN-WFASDCNBSA-N -1 3 372.899 2.545 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)c(F)c1 ZINC000180184740 509799198 /nfs/dbraw/zinc/79/91/98/509799198.db2.gz RSGGWYHMIZBQTQ-OAHLLOKOSA-N -1 3 370.352 2.642 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(Cl)c1 ZINC000180207930 509813167 /nfs/dbraw/zinc/81/31/67/509813167.db2.gz VUZIAUYKXJWRHL-WQVCFCJDSA-N -1 3 366.870 2.838 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)n1 ZINC000193267568 509844509 /nfs/dbraw/zinc/84/45/09/509844509.db2.gz QOLWJROQWCVFTQ-VNHYZAJKSA-N -1 3 356.451 2.950 20 30 FFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186808705 509904039 /nfs/dbraw/zinc/90/40/39/509904039.db2.gz UMFREAIVBUSQQX-OCCSQVGLSA-N -1 3 372.874 2.868 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c(C(F)(F)F)c1 ZINC000268527809 509989944 /nfs/dbraw/zinc/98/99/44/509989944.db2.gz WMKVIGFMRDISRE-IACUBPJLSA-N -1 3 374.384 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000174316284 510055577 /nfs/dbraw/zinc/05/55/77/510055577.db2.gz BETYOQNYFZZRHS-NSHDSACASA-N -1 3 373.403 2.994 20 30 FFEDHM C[C@H](C#N)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184086304 510124384 /nfs/dbraw/zinc/12/43/84/510124384.db2.gz ILPRQMOVDBXLCV-RDTXWAMCSA-N -1 3 351.406 2.529 20 30 FFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000187245663 510146555 /nfs/dbraw/zinc/14/65/55/510146555.db2.gz HYYHNGSXGNFREW-GXTWGEPZSA-N -1 3 372.874 2.726 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cnnn2)cc1)c1nc(-c2ccncc2)cs1 ZINC000194181673 510251772 /nfs/dbraw/zinc/25/17/72/510251772.db2.gz WSBRRLRYVKDEQM-HNNXBMFYSA-N -1 3 373.401 2.671 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCN(c3ccccc3Cl)C2=O)c1[O-] ZINC000265884045 510281425 /nfs/dbraw/zinc/28/14/25/510281425.db2.gz CUJVUUDTTKZYIU-CPHRPENTSA-N -1 3 373.840 2.856 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1 ZINC000269281492 510323401 /nfs/dbraw/zinc/32/34/01/510323401.db2.gz AUZCRPYHRQRTOW-ORAYPTAESA-N -1 3 371.412 2.586 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000177993670 510365034 /nfs/dbraw/zinc/36/50/34/510365034.db2.gz FUIUVPULTDZYSZ-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM C=CC[C@H](C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000187811898 510449331 /nfs/dbraw/zinc/44/93/31/510449331.db2.gz NTYXSPAATLEHOO-HNNXBMFYSA-N -1 3 364.492 2.632 20 30 FFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194788936 510528361 /nfs/dbraw/zinc/52/83/61/510528361.db2.gz YLRHYVSOLSHJBL-ZETCQYMHSA-N -1 3 371.178 2.906 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000178532503 510649820 /nfs/dbraw/zinc/64/98/20/510649820.db2.gz QDSFXCWTMUWQCK-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM C=CCOc1c(Br)cc(CN(C)CC(=O)[O-])cc1OCC ZINC000263412979 510695782 /nfs/dbraw/zinc/69/57/82/510695782.db2.gz MCFBELYYYWAVOC-UHFFFAOYSA-N -1 3 358.232 2.929 20 30 FFEDHM C=CCN1CCC(NC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000178775192 510764893 /nfs/dbraw/zinc/76/48/93/510764893.db2.gz KAXADSWKMZXYKE-UHFFFAOYSA-N -1 3 368.275 2.604 20 30 FFEDHM CC1(C)CCCN(CCNC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1 ZINC000331310639 511059912 /nfs/dbraw/zinc/05/99/12/511059912.db2.gz ZAECTLRMUIYMQN-UHFFFAOYSA-N -1 3 371.478 2.624 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000271075228 511075726 /nfs/dbraw/zinc/07/57/26/511075726.db2.gz YLJHQIPXACYCFL-UHFFFAOYSA-N -1 3 370.405 2.570 20 30 FFEDHM C#CCn1ccc(CN(CC)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)n1 ZINC000364781750 511080054 /nfs/dbraw/zinc/08/00/54/511080054.db2.gz HAUOGYFGSDISMY-UHFFFAOYSA-N -1 3 362.437 2.663 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000290923566 511153979 /nfs/dbraw/zinc/15/39/79/511153979.db2.gz IPLLRSWKYBUFCD-MRXNPFEDSA-N -1 3 372.874 2.726 20 30 FFEDHM C=CCCC[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000279764956 511206073 /nfs/dbraw/zinc/20/60/73/511206073.db2.gz MOXQIFTZKFPGTO-UHFFFAOYSA-N -1 3 373.272 2.578 20 30 FFEDHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)CCO1 ZINC000279819972 511227935 /nfs/dbraw/zinc/22/79/35/511227935.db2.gz AXJXHJKUTIKTEW-HNNXBMFYSA-N -1 3 371.462 2.779 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H]2CCO[C@H]21 ZINC000365545143 511519215 /nfs/dbraw/zinc/51/92/15/511519215.db2.gz ITAWLXYASYSYCB-ZLKJLUDKSA-N -1 3 374.384 2.669 20 30 FFEDHM Cc1cc(C(=O)N2CCCC2)ccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000299465790 511646011 /nfs/dbraw/zinc/64/60/11/511646011.db2.gz FASSFQTZCXXRAA-SSDVNMTOSA-N -1 3 353.422 2.883 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1nc(Cc2ccccc2)no1 ZINC000296315234 511695438 /nfs/dbraw/zinc/69/54/38/511695438.db2.gz OKFRVMJMOQHPHK-CYBMUJFWSA-N -1 3 362.455 2.581 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000328638945 511903158 /nfs/dbraw/zinc/90/31/58/511903158.db2.gz BUNPZZKJUJFFQT-STQMWFEESA-N -1 3 372.512 2.721 20 30 FFEDHM C[C@H]1C[C@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCC1=O ZINC000328936299 511953711 /nfs/dbraw/zinc/95/37/11/511953711.db2.gz FVDSZXCQEUIETG-NWDGAFQWSA-N -1 3 366.439 2.525 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H]1OCCc2sccc21 ZINC000366344715 511968283 /nfs/dbraw/zinc/96/82/83/511968283.db2.gz XJQRBTNZMGMYLN-YMTOWFKASA-N -1 3 354.478 2.662 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000285218593 512042227 /nfs/dbraw/zinc/04/22/27/512042227.db2.gz XRSCWFZGKJOGPW-LBPRGKRZSA-N -1 3 352.403 2.770 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(C#N)c1 ZINC000375709022 512466667 /nfs/dbraw/zinc/46/66/67/512466667.db2.gz AIQMENLVTWGCJY-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(C#N)c1 ZINC000375709022 512466671 /nfs/dbraw/zinc/46/66/71/512466671.db2.gz AIQMENLVTWGCJY-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccccn2)cc1 ZINC000376392570 512797968 /nfs/dbraw/zinc/79/79/68/512797968.db2.gz VLFRCPFNYYHEEX-GOSISDBHSA-N -1 3 353.403 2.923 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421249300 513177042 /nfs/dbraw/zinc/17/70/42/513177042.db2.gz LVNAFWVMYRZJNY-LBPRGKRZSA-N -1 3 370.830 2.865 20 30 FFEDHM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429579773 513415579 /nfs/dbraw/zinc/41/55/79/513415579.db2.gz RTTFBCHSJHOHQD-HNNXBMFYSA-N -1 3 361.405 2.848 20 30 FFEDHM N#Cc1ccc(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)cc1[O-] ZINC000430098934 513552179 /nfs/dbraw/zinc/55/21/79/513552179.db2.gz KUBNSUJYILGYAZ-SFHVURJKSA-N -1 3 367.474 2.611 20 30 FFEDHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000435435874 513586002 /nfs/dbraw/zinc/58/60/02/513586002.db2.gz CPUACFDFQUWEGO-LBPRGKRZSA-N -1 3 358.485 2.799 20 30 FFEDHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccccc1 ZINC000451309772 513668665 /nfs/dbraw/zinc/66/86/65/513668665.db2.gz DLTSCWIAJOCXPA-OAHLLOKOSA-N -1 3 366.483 2.929 20 30 FFEDHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451348784 513692805 /nfs/dbraw/zinc/69/28/05/513692805.db2.gz ALMZXNRODZSBHU-JTQLQIEISA-N -1 3 367.862 2.687 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(F)(F)F ZINC000416466767 513787242 /nfs/dbraw/zinc/78/72/42/513787242.db2.gz RSSIPZAEPZQWHD-SSDOTTSWSA-N -1 3 371.178 2.797 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416383362 513744071 /nfs/dbraw/zinc/74/40/71/513744071.db2.gz LLQTTWOMGYQJEH-UHFFFAOYSA-N -1 3 361.286 2.518 20 30 FFEDHM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416486929 513797483 /nfs/dbraw/zinc/79/74/83/513797483.db2.gz HXLDKSCTTSYLPD-UHFFFAOYSA-N -1 3 353.188 2.644 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416496324 513801451 /nfs/dbraw/zinc/80/14/51/513801451.db2.gz OWDBRKXQSAYXQC-JTQLQIEISA-N -1 3 366.252 2.502 20 30 FFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000416529141 513818914 /nfs/dbraw/zinc/81/89/14/513818914.db2.gz JDUXYMRZSYJNBJ-UHFFFAOYSA-N -1 3 373.272 2.602 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc2ccccc2n1 ZINC000443035631 513849394 /nfs/dbraw/zinc/84/93/94/513849394.db2.gz UVZKBOAYYBGRFH-UHFFFAOYSA-N -1 3 355.394 2.767 20 30 FFEDHM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443067632 513861298 /nfs/dbraw/zinc/86/12/98/513861298.db2.gz FPJIQEWKGQXQLH-GXTWGEPZSA-N -1 3 351.428 2.960 20 30 FFEDHM COCc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000443099893 513870696 /nfs/dbraw/zinc/87/06/96/513870696.db2.gz GXCGABJFDUMYAR-UHFFFAOYSA-N -1 3 350.827 2.837 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N1CCCC[C@@H]1C ZINC000443106061 513873482 /nfs/dbraw/zinc/87/34/82/513873482.db2.gz QYZCTMJQIGYJHU-QWHCGFSZSA-N -1 3 355.891 2.753 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC(C)C ZINC000416655829 513892162 /nfs/dbraw/zinc/89/21/62/513892162.db2.gz XCYFUBGSQRQZSN-LBPRGKRZSA-N -1 3 364.389 2.916 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000416673728 513901164 /nfs/dbraw/zinc/90/11/64/513901164.db2.gz USTJKQAHZXBODQ-UHFFFAOYSA-N -1 3 372.874 2.727 20 30 FFEDHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443250697 513910967 /nfs/dbraw/zinc/91/09/67/513910967.db2.gz OIQAWWWNTMJWPI-ROUUACIJSA-N -1 3 360.410 2.714 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443330507 513936887 /nfs/dbraw/zinc/93/68/87/513936887.db2.gz NQDNYFUPVWVBBR-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C#N)C(C)C)cs2)c1 ZINC000436707062 513950272 /nfs/dbraw/zinc/95/02/72/513950272.db2.gz UBZQJCTUTBRPAE-AWEZNQCLSA-N -1 3 372.450 2.616 20 30 FFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000451740912 513952329 /nfs/dbraw/zinc/95/23/29/513952329.db2.gz ZYPFXTSUJSXSER-JQWIXIFHSA-N -1 3 373.272 2.818 20 30 FFEDHM N#CCCN(C(=O)Cc1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000448892938 513956972 /nfs/dbraw/zinc/95/69/72/513956972.db2.gz AFJBTCHDBIYQFA-UHFFFAOYSA-N -1 3 356.353 2.792 20 30 FFEDHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000451818633 514001227 /nfs/dbraw/zinc/00/12/27/514001227.db2.gz QFPVPXTXJAWNJA-HIFRSBDPSA-N -1 3 356.875 2.941 20 30 FFEDHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000451992309 514116703 /nfs/dbraw/zinc/11/67/03/514116703.db2.gz OBCBUAJNPNRSIX-YMTOWFKASA-N -1 3 362.373 2.669 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OCC ZINC000451994543 514117621 /nfs/dbraw/zinc/11/76/21/514117621.db2.gz OBAXAAJZBJWNBV-AWEZNQCLSA-N -1 3 363.838 2.796 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ncc(C#N)cc2Cl)c1 ZINC000432180877 514118888 /nfs/dbraw/zinc/11/88/88/514118888.db2.gz YJZLFHOAZAASCF-UHFFFAOYSA-N -1 3 364.814 2.539 20 30 FFEDHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CCNCC1(F)F ZINC000423874286 514273199 /nfs/dbraw/zinc/27/31/99/514273199.db2.gz JJQOZDZUSHBZGJ-LDYMZIIASA-N -1 3 358.257 2.929 20 30 FFEDHM C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCC)cc1 ZINC000427786238 514314862 /nfs/dbraw/zinc/31/48/62/514314862.db2.gz GFBVIWBPJZQTLU-UHFFFAOYSA-N -1 3 374.528 2.815 20 30 FFEDHM N#CCSc1cccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000427869716 514336874 /nfs/dbraw/zinc/33/68/74/514336874.db2.gz HBOJAFLDWJZKRC-UHFFFAOYSA-N -1 3 369.446 2.558 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1Cl ZINC000428245489 514431993 /nfs/dbraw/zinc/43/19/93/514431993.db2.gz PSARFMHHNHTOOJ-UHFFFAOYSA-N -1 3 356.234 2.781 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1OC(F)F ZINC000428260035 514435006 /nfs/dbraw/zinc/43/50/06/514435006.db2.gz QBNOOWGTPBYZDA-JTQLQIEISA-N -1 3 353.350 2.594 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000428269860 514437019 /nfs/dbraw/zinc/43/70/19/514437019.db2.gz RJTCROYZEPFHGU-GFCCVEGCSA-N -1 3 355.341 2.925 20 30 FFEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)cc1 ZINC000421156208 514509227 /nfs/dbraw/zinc/50/92/27/514509227.db2.gz PVQJQTVRZLKRTF-INIZCTEOSA-N -1 3 369.487 2.797 20 30 FFEDHM C=CC[C@H](CC)NC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000466366280 514623565 /nfs/dbraw/zinc/62/35/65/514623565.db2.gz FPMLRKYPHKYUPU-HNNXBMFYSA-N -1 3 371.441 2.802 20 30 FFEDHM C=CC[C@H](CC)NC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000466366280 514623573 /nfs/dbraw/zinc/62/35/73/514623573.db2.gz FPMLRKYPHKYUPU-HNNXBMFYSA-N -1 3 371.441 2.802 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000470835328 514634124 /nfs/dbraw/zinc/63/41/24/514634124.db2.gz YLSHNYQGOSYILI-SECBINFHSA-N -1 3 361.452 2.899 20 30 FFEDHM Cn1c2cc([O-])c(NC(=O)C[C@H](CC#N)c3ccccc3)cc2n(C)c1=O ZINC000461626954 514675124 /nfs/dbraw/zinc/67/51/24/514675124.db2.gz MUIFSGVWNJWMPJ-AWEZNQCLSA-N -1 3 364.405 2.609 20 30 FFEDHM Cc1ncc(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c(=O)[n-]1 ZINC000455763691 514727480 /nfs/dbraw/zinc/72/74/80/514727480.db2.gz DEGLUAREJROTTB-UHFFFAOYSA-N -1 3 355.398 2.861 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(I)cc1C ZINC000462076614 514867366 /nfs/dbraw/zinc/86/73/66/514867366.db2.gz UMPPQWNVJBZVQS-JTQLQIEISA-N -1 3 364.208 2.644 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)CCC2)n1 ZINC000489519351 514880046 /nfs/dbraw/zinc/88/00/46/514880046.db2.gz UQHGFIMYYRTRPG-UHFFFAOYSA-N -1 3 351.428 2.820 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c1 ZINC000476185819 514938966 /nfs/dbraw/zinc/93/89/66/514938966.db2.gz BUBGCHDIVVRGFE-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c1 ZINC000476185815 514940146 /nfs/dbraw/zinc/94/01/46/514940146.db2.gz BUBGCHDIVVRGFE-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c1C#N ZINC000476201384 514946133 /nfs/dbraw/zinc/94/61/33/514946133.db2.gz MGYVXBBLRZDVJW-UHFFFAOYSA-N -1 3 358.814 2.640 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000489718132 514949844 /nfs/dbraw/zinc/94/98/44/514949844.db2.gz RITMZUUVBVZWKM-INIZCTEOSA-N -1 3 370.352 2.642 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)cs1 ZINC000476314183 514997429 /nfs/dbraw/zinc/99/74/29/514997429.db2.gz LQODKDGNCRJBPN-GFCCVEGCSA-N -1 3 357.501 2.744 20 30 FFEDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000476423620 515043895 /nfs/dbraw/zinc/04/38/95/515043895.db2.gz CQXFVAQNIIDTQA-INIZCTEOSA-N -1 3 364.854 2.786 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(C)o1 ZINC000480741644 515067052 /nfs/dbraw/zinc/06/70/52/515067052.db2.gz PCAPWRFQFMOOMM-MRXNPFEDSA-N -1 3 366.414 2.796 20 30 FFEDHM CCN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000503525154 515068854 /nfs/dbraw/zinc/06/88/54/515068854.db2.gz AFEPDEWMMVAFDE-CYBMUJFWSA-N -1 3 372.450 2.548 20 30 FFEDHM C[C@@H]1CCN(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)C1 ZINC000476494833 515071363 /nfs/dbraw/zinc/07/13/63/515071363.db2.gz UWAXWYCBGTYYJR-CYBMUJFWSA-N -1 3 358.423 2.744 20 30 FFEDHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000476521219 515084012 /nfs/dbraw/zinc/08/40/12/515084012.db2.gz HFTMGLQHNVQUAK-LBPRGKRZSA-N -1 3 356.875 2.679 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000480856797 515111492 /nfs/dbraw/zinc/11/14/92/515111492.db2.gz LPYRDFVIVDQNLQ-UHFFFAOYSA-N -1 3 357.391 2.822 20 30 FFEDHM COCCN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccc(C#N)cc1 ZINC000485738788 515166526 /nfs/dbraw/zinc/16/65/26/515166526.db2.gz QIZMDLMFKBUKRJ-UHFFFAOYSA-N -1 3 365.349 2.636 20 30 FFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000509579726 515243510 /nfs/dbraw/zinc/24/35/10/515243510.db2.gz NREMPXBUKOIIMO-UHFFFAOYSA-N -1 3 367.448 2.578 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2N2CCCC2)s1 ZINC000509632052 515265657 /nfs/dbraw/zinc/26/56/57/515265657.db2.gz JNGWDKDECACSKW-UHFFFAOYSA-N -1 3 365.455 2.838 20 30 FFEDHM C=C(CC)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000456825968 515446981 /nfs/dbraw/zinc/44/69/81/515446981.db2.gz HWRCNUXUTIIKGY-UHFFFAOYSA-N -1 3 370.521 2.984 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481867696 515494883 /nfs/dbraw/zinc/49/48/83/515494883.db2.gz BDNKTJXEXRPXNO-UHFFFAOYSA-N -1 3 364.810 2.956 20 30 FFEDHM CN1C(=O)c2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2C1=O ZINC000464413158 515815880 /nfs/dbraw/zinc/81/58/80/515815880.db2.gz CBDJHOLZIXIUKS-ZDUSSCGKSA-N -1 3 373.290 2.816 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000464469322 515837695 /nfs/dbraw/zinc/83/76/95/515837695.db2.gz FJWVSMUMFOYRHU-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000464469322 515837702 /nfs/dbraw/zinc/83/77/02/515837702.db2.gz FJWVSMUMFOYRHU-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nccn2-c2ccccc2)c(Cl)c1 ZINC000460586149 516196136 /nfs/dbraw/zinc/19/61/36/516196136.db2.gz QDLCIILJFXFXGG-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000550829323 516445183 /nfs/dbraw/zinc/44/51/83/516445183.db2.gz USBFMXJDKNGKCW-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)c1 ZINC000528551628 516525524 /nfs/dbraw/zinc/52/55/24/516525524.db2.gz OEBBJOZQMWBCMP-AWEZNQCLSA-N -1 3 353.875 2.507 20 30 FFEDHM COC[C@](C)(NCc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000551423448 516704499 /nfs/dbraw/zinc/70/44/99/516704499.db2.gz UHDGGBZNUCJCLM-FQEVSTJZSA-N -1 3 354.406 2.717 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@@](C)(CC)C(F)(F)F)c1 ZINC000548146726 516794294 /nfs/dbraw/zinc/79/42/94/516794294.db2.gz IREMIASCJGDFQT-AWEZNQCLSA-N -1 3 364.389 2.612 20 30 FFEDHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000548280562 516869357 /nfs/dbraw/zinc/86/93/57/516869357.db2.gz VSORKAQQJKHIBD-ZDUSSCGKSA-N -1 3 372.874 2.868 20 30 FFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OCC)cc(F)c1OC ZINC000544706205 516886471 /nfs/dbraw/zinc/88/64/71/516886471.db2.gz KYUIXIQAHSQNSZ-GFCCVEGCSA-N -1 3 359.419 2.644 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccc(C#N)cc1 ZINC000544750798 516911699 /nfs/dbraw/zinc/91/16/99/516911699.db2.gz YKBOMFBDXHSBSJ-VIFPVBQESA-N -1 3 355.213 2.953 20 30 FFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C12CCCC2 ZINC000525180562 516947619 /nfs/dbraw/zinc/94/76/19/516947619.db2.gz DOQIJTFYUDBREO-HZPDHXFCSA-N -1 3 352.431 2.713 20 30 FFEDHM N#C[C@H]1N(C(=O)c2c[n-]c3ccccc3c2=O)CCC[C@]12CCCCO2 ZINC000548386519 516949731 /nfs/dbraw/zinc/94/97/31/516949731.db2.gz ANOIHCJGQZSEHS-YLJYHZDGSA-N -1 3 351.406 2.596 20 30 FFEDHM Cc1cc(C#N)ccc1-c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000545528540 517281748 /nfs/dbraw/zinc/28/17/48/517281748.db2.gz SKAXRIHIQLLYNK-HXUWFJFHSA-N -1 3 373.372 2.638 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000533090481 517289220 /nfs/dbraw/zinc/28/92/20/517289220.db2.gz KPLUTWFSUWCLHG-SNVBAGLBSA-N -1 3 352.437 2.658 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000515357180 517316744 /nfs/dbraw/zinc/31/67/44/517316744.db2.gz HGUDFVAIZBKFBH-QGZVFWFLSA-N -1 3 352.369 2.729 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)c(F)c1 ZINC000537866686 517385724 /nfs/dbraw/zinc/38/57/24/517385724.db2.gz DQKZHDDSNJMLBQ-MAUKXSAKSA-N -1 3 360.410 2.753 20 30 FFEDHM COc1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c([O-])c1 ZINC000553188542 517565704 /nfs/dbraw/zinc/56/57/04/517565704.db2.gz AMTBTAKNPKIIHW-ZDUSSCGKSA-N -1 3 355.369 2.877 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(C)nc3)no2)ccc1F ZINC000546284878 517627572 /nfs/dbraw/zinc/62/75/72/517627572.db2.gz PHEPTLWZDVNHNH-UHFFFAOYSA-N -1 3 374.397 2.710 20 30 FFEDHM CC(C)[C@@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553522876 517760422 /nfs/dbraw/zinc/76/04/22/517760422.db2.gz NCHGUIWLANTEQP-QGZVFWFLSA-N -1 3 361.467 2.586 20 30 FFEDHM N#Cc1cccc(NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000516767923 517834719 /nfs/dbraw/zinc/83/47/19/517834719.db2.gz AXSIGTWLYNDPHX-UHFFFAOYSA-N -1 3 365.393 2.541 20 30 FFEDHM CC1CCN([C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)c2ccccc2)CC1 ZINC000553799472 517912949 /nfs/dbraw/zinc/91/29/49/517912949.db2.gz XQLBSVGRZBGNIB-GOSISDBHSA-N -1 3 373.478 2.903 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc2c(s1)CCC2 ZINC000563527610 517962728 /nfs/dbraw/zinc/96/27/28/517962728.db2.gz JHCROHWYALMZGZ-VIFPVBQESA-N -1 3 351.428 2.682 20 30 FFEDHM N#CCN1CCC[C@H](CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000530878603 518027433 /nfs/dbraw/zinc/02/74/33/518027433.db2.gz KZIANCDJAHMJOY-LJQANCHMSA-N -1 3 363.461 2.948 20 30 FFEDHM N#Cc1cncnc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000517233042 518079517 /nfs/dbraw/zinc/07/95/17/518079517.db2.gz ILEPPJZIUQCNAC-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)OC(C)C ZINC000569769728 518278816 /nfs/dbraw/zinc/27/88/16/518278816.db2.gz KYJCTKPQVVSVHR-QGZVFWFLSA-N -1 3 366.483 2.775 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000578791468 518374546 /nfs/dbraw/zinc/37/45/46/518374546.db2.gz HJQQXKZXNKLGKE-LLVKDONJSA-N -1 3 361.370 2.905 20 30 FFEDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000576138017 518447282 /nfs/dbraw/zinc/44/72/82/518447282.db2.gz WUQPECSZDSCEOE-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM N#Cc1ccc(N2CCC(c3nc(-c4cc(=O)[n-]cn4)no3)CC2)c(F)c1 ZINC000582180750 518627021 /nfs/dbraw/zinc/62/70/21/518627021.db2.gz OHDVMAOUTGKQEU-UHFFFAOYSA-N -1 3 366.356 2.627 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000588120025 518729514 /nfs/dbraw/zinc/72/95/14/518729514.db2.gz FUJLAFITRYAHFH-QMMMGPOBSA-N -1 3 365.199 2.787 20 30 FFEDHM N#CC1(CNC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000579549066 518731667 /nfs/dbraw/zinc/73/16/67/518731667.db2.gz JPLLXGAFCYXHIE-GOSISDBHSA-N -1 3 363.417 2.673 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](F)C1 ZINC000582662947 518863437 /nfs/dbraw/zinc/86/34/37/518863437.db2.gz HVLUNCWPKRDWMK-NEPJUHHUSA-N -1 3 361.236 2.880 20 30 FFEDHM C=CCc1ccccc1OC[C@H](O)CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000568099328 518873404 /nfs/dbraw/zinc/87/34/04/518873404.db2.gz BBIRELDGRCCAQB-WIYYLYMNSA-N -1 3 367.445 2.839 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1F ZINC000589559084 519031108 /nfs/dbraw/zinc/03/11/08/519031108.db2.gz SHJRNWXYHWTWGZ-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000571354999 519053413 /nfs/dbraw/zinc/05/34/13/519053413.db2.gz ALHNUMANNLHRKP-UHFFFAOYSA-N -1 3 363.414 2.568 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000590739791 519341810 /nfs/dbraw/zinc/34/18/10/519341810.db2.gz ZYABLYRMQRZFSI-LLVKDONJSA-N -1 3 363.252 2.946 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN(Cc3ccccc3)C2)o1 ZINC000578178493 519460202 /nfs/dbraw/zinc/46/02/02/519460202.db2.gz WUSLKTBBTQCXGN-KRWDZBQOSA-N -1 3 373.478 2.732 20 30 FFEDHM C=CCSc1ccccc1C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000566730978 519626555 /nfs/dbraw/zinc/62/65/55/519626555.db2.gz YZYDDKJLDPENFA-DJJJIMSYSA-N -1 3 373.478 2.558 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000603046382 520046270 /nfs/dbraw/zinc/04/62/70/520046270.db2.gz ATOWMTKGVBBHSW-SNVBAGLBSA-N -1 3 362.231 2.701 20 30 FFEDHM Cn1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c2ccccc21 ZINC000612687255 520089524 /nfs/dbraw/zinc/08/95/24/520089524.db2.gz ANFRRWIITDIVEC-UHFFFAOYSA-N -1 3 360.826 2.577 20 30 FFEDHM Cn1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c2ccccc21 ZINC000612687401 520091058 /nfs/dbraw/zinc/09/10/58/520091058.db2.gz JIHUHSSRAOERLQ-UHFFFAOYSA-N -1 3 360.826 2.577 20 30 FFEDHM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594757611 520137165 /nfs/dbraw/zinc/13/71/65/520137165.db2.gz IFYQNXWPUNZJIS-HZMBPMFUSA-N -1 3 352.481 2.767 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC(C)(C)C ZINC000592038683 520146811 /nfs/dbraw/zinc/14/68/11/520146811.db2.gz ZVVXWAXWECUELK-INIZCTEOSA-N -1 3 366.483 2.538 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000594815625 520171326 /nfs/dbraw/zinc/17/13/26/520171326.db2.gz ZOAZCUOSRMCJAU-LLVKDONJSA-N -1 3 362.542 2.533 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1(F)F ZINC000594853544 520190178 /nfs/dbraw/zinc/19/01/78/520190178.db2.gz ZNJIUIUVHIZMDT-NSHDSACASA-N -1 3 354.300 2.901 20 30 FFEDHM Cc1csc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594864659 520197484 /nfs/dbraw/zinc/19/74/84/520197484.db2.gz SSZBXCVMXHTMJJ-UHFFFAOYSA-N -1 3 362.476 2.912 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2cn(C(C)(C)C)nn2)c(C#N)c1C ZINC000616903076 520221608 /nfs/dbraw/zinc/22/16/08/520221608.db2.gz GBEKSZGAZNLIJG-UHFFFAOYSA-N -1 3 361.427 2.704 20 30 FFEDHM N#CCN1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000610011282 520506140 /nfs/dbraw/zinc/50/61/40/520506140.db2.gz YJCDGFPCXVBLDQ-UHFFFAOYSA-N -1 3 365.433 2.689 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)c(F)c1 ZINC000610083072 520533852 /nfs/dbraw/zinc/53/38/52/520533852.db2.gz DMXDOTIFZUIJNY-UHFFFAOYSA-N -1 3 359.426 2.776 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@H]2CCCO[C@@H]21 ZINC000611025016 520952037 /nfs/dbraw/zinc/95/20/37/520952037.db2.gz YTSJMOWMHLOEJK-KMUNFCNLSA-N -1 3 354.859 2.694 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]2CCCO[C@H]21 ZINC000611025015 520952195 /nfs/dbraw/zinc/95/21/95/520952195.db2.gz YTSJMOWMHLOEJK-COLVAYQJSA-N -1 3 354.859 2.694 20 30 FFEDHM COc1ccc2c(c1)OCC[C@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000611024886 520952611 /nfs/dbraw/zinc/95/26/11/520952611.db2.gz NSSVPLGOKQGBLY-OAHLLOKOSA-N -1 3 362.382 2.508 20 30 FFEDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccsc2C#N)cs1 ZINC000593567458 521081771 /nfs/dbraw/zinc/08/17/71/521081771.db2.gz CPVLHIYBTWFXAW-UHFFFAOYSA-N -1 3 355.510 2.895 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2F)CC1 ZINC000593567974 521082253 /nfs/dbraw/zinc/08/22/53/521082253.db2.gz GHHYMAZSEKCULK-UHFFFAOYSA-N -1 3 354.403 2.908 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000593573763 521085226 /nfs/dbraw/zinc/08/52/26/521085226.db2.gz TUQXTJRWEHTXHG-LBPRGKRZSA-N -1 3 352.412 2.951 20 30 FFEDHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)ccn1 ZINC000593572485 521085480 /nfs/dbraw/zinc/08/54/80/521085480.db2.gz JNAQFMLGFNZCHO-NSHDSACASA-N -1 3 351.453 2.671 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@]12C[C@H]1COC2(C)C ZINC000599396238 521197240 /nfs/dbraw/zinc/19/72/40/521197240.db2.gz HWUVKJLGYNJPDS-YVEFUNNKSA-N -1 3 362.476 2.927 20 30 FFEDHM COc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccc1[O-] ZINC000615441140 521405559 /nfs/dbraw/zinc/40/55/59/521405559.db2.gz DCPOGVMUAIZAEJ-QGZVFWFLSA-N -1 3 369.396 2.563 20 30 FFEDHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C2 ZINC000612144104 521505016 /nfs/dbraw/zinc/50/50/16/521505016.db2.gz USKLUOVYSZVZOF-OAHLLOKOSA-N -1 3 360.410 2.542 20 30 FFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619752984 521854798 /nfs/dbraw/zinc/85/47/98/521854798.db2.gz GYIRNNMTFSQAKC-UHFFFAOYSA-N -1 3 365.798 2.907 20 30 FFEDHM C=CC(C)(C)CCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000628315899 523477729 /nfs/dbraw/zinc/47/77/29/523477729.db2.gz AULXIZUKVQWLBK-UHFFFAOYSA-N -1 3 354.454 2.791 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000491054327 561442451 /nfs/dbraw/zinc/44/24/51/561442451.db2.gz UZBOYBJFBKXEGS-HNNXBMFYSA-N -1 3 364.352 2.935 20 30 FFEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000622887765 556295678 /nfs/dbraw/zinc/29/56/78/556295678.db2.gz HLDLLYAKUAESCQ-JTQLQIEISA-N -1 3 352.744 2.508 20 30 FFEDHM N#Cc1ccccc1NC(=O)CCCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473858459 561059413 /nfs/dbraw/zinc/05/94/13/561059413.db2.gz RCPJEBCKDCATJV-MRXNPFEDSA-N -1 3 367.409 2.880 20 30 FFEDHM Cc1cc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000737278726 598917036 /nfs/dbraw/zinc/91/70/36/598917036.db2.gz LJGOQJMRDHCDAS-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1cc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000737278726 598917038 /nfs/dbraw/zinc/91/70/38/598917038.db2.gz LJGOQJMRDHCDAS-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1ccc(OCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C)c1 ZINC000737366947 598917105 /nfs/dbraw/zinc/91/71/05/598917105.db2.gz XBJKDUJQOCIBCS-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1ccc(OCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(C)c1 ZINC000737366947 598917106 /nfs/dbraw/zinc/91/71/06/598917106.db2.gz XBJKDUJQOCIBCS-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1cccc(CSCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737397535 598918199 /nfs/dbraw/zinc/91/81/99/598918199.db2.gz XHBWHZLSTLGDOH-UHFFFAOYSA-N -1 3 364.434 2.919 20 30 FFEDHM Cc1cccc(CSCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737397535 598918201 /nfs/dbraw/zinc/91/82/01/598918201.db2.gz XHBWHZLSTLGDOH-UHFFFAOYSA-N -1 3 364.434 2.919 20 30 FFEDHM CCOc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736644484 598919666 /nfs/dbraw/zinc/91/96/66/598919666.db2.gz ZRFUDMIADMHTQS-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM CCOc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736644484 598919668 /nfs/dbraw/zinc/91/96/68/598919668.db2.gz ZRFUDMIADMHTQS-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737467930 598922367 /nfs/dbraw/zinc/92/23/67/598922367.db2.gz KXDYXEDPBUMZAI-UHFFFAOYSA-N -1 3 353.411 2.879 20 30 FFEDHM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737467930 598922370 /nfs/dbraw/zinc/92/23/70/598922370.db2.gz KXDYXEDPBUMZAI-UHFFFAOYSA-N -1 3 353.411 2.879 20 30 FFEDHM COc1ccccc1C(C)=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737140451 598930008 /nfs/dbraw/zinc/93/00/08/598930008.db2.gz DDNYHTQGYYPUET-XFXZXTDPSA-N -1 3 360.377 2.789 20 30 FFEDHM COc1ccccc1C(C)=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737140451 598930009 /nfs/dbraw/zinc/93/00/09/598930009.db2.gz DDNYHTQGYYPUET-XFXZXTDPSA-N -1 3 360.377 2.789 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnn(-c2ccccc2)c1C ZINC000819772988 607253163 /nfs/dbraw/zinc/25/31/63/607253163.db2.gz NTRGCMUFOGQBEX-UHFFFAOYSA-N -1 3 372.436 2.875 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2)c1C ZINC000819772988 607253164 /nfs/dbraw/zinc/25/31/64/607253164.db2.gz NTRGCMUFOGQBEX-UHFFFAOYSA-N -1 3 372.436 2.875 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000736170879 598969954 /nfs/dbraw/zinc/96/99/54/598969954.db2.gz SITNWTYPPAUKCI-BFUOFWGJSA-N -1 3 368.441 2.613 20 30 FFEDHM N#Cc1ccc(F)c(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000822829776 599071058 /nfs/dbraw/zinc/07/10/58/599071058.db2.gz IQTSWJULWINGIK-UHFFFAOYSA-N -1 3 363.278 2.903 20 30 FFEDHM N#Cc1ccc(F)c(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000822829776 599071060 /nfs/dbraw/zinc/07/10/60/599071060.db2.gz IQTSWJULWINGIK-UHFFFAOYSA-N -1 3 363.278 2.903 20 30 FFEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1-n1cncn1 ZINC000822198889 599111938 /nfs/dbraw/zinc/11/19/38/599111938.db2.gz MZZJRSYIGGPGQX-YCRREMRBSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1-n1cncn1 ZINC000822198889 599111940 /nfs/dbraw/zinc/11/19/40/599111940.db2.gz MZZJRSYIGGPGQX-YCRREMRBSA-N -1 3 357.377 2.652 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2C#N)CCC3)cc1-c1nnn[n-]1 ZINC000737082091 599155846 /nfs/dbraw/zinc/15/58/46/599155846.db2.gz UDHOUFIRUANPGN-ALCCZGGFSA-N -1 3 374.404 2.699 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2C#N)CCC3)cc1-c1nn[n-]n1 ZINC000737082091 599155849 /nfs/dbraw/zinc/15/58/49/599155849.db2.gz UDHOUFIRUANPGN-ALCCZGGFSA-N -1 3 374.404 2.699 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccnc3ccccc23)ccc1-c1nnn[n-]1 ZINC000737706076 599192322 /nfs/dbraw/zinc/19/23/22/599192322.db2.gz VVTHOOFSUOBKQD-YVMONPNESA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccnc3ccccc23)ccc1-c1nn[n-]n1 ZINC000737706076 599192323 /nfs/dbraw/zinc/19/23/23/599192323.db2.gz VVTHOOFSUOBKQD-YVMONPNESA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1-c1nnn[n-]1 ZINC000737710440 599193185 /nfs/dbraw/zinc/19/31/85/599193185.db2.gz XZJOJQGSVRQKGC-UHFFFAOYSA-N -1 3 362.246 2.547 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1-c1nn[n-]n1 ZINC000737710440 599193186 /nfs/dbraw/zinc/19/31/86/599193186.db2.gz XZJOJQGSVRQKGC-UHFFFAOYSA-N -1 3 362.246 2.547 20 30 FFEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737697515 599242609 /nfs/dbraw/zinc/24/26/09/599242609.db2.gz IXFODEBWWKZTBW-UHFFFAOYSA-N -1 3 369.768 2.779 20 30 FFEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737697515 599242610 /nfs/dbraw/zinc/24/26/10/599242610.db2.gz IXFODEBWWKZTBW-UHFFFAOYSA-N -1 3 369.768 2.779 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820353349 599261856 /nfs/dbraw/zinc/26/18/56/599261856.db2.gz ZAERWEFFMMXGMC-OLZOCXBDSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820353349 599261857 /nfs/dbraw/zinc/26/18/57/599261857.db2.gz ZAERWEFFMMXGMC-OLZOCXBDSA-N -1 3 361.409 2.860 20 30 FFEDHM FC(F)(F)c1cc(NN=Cc2cccc3nccn32)ccc1-c1nnn[n-]1 ZINC000822723697 607325952 /nfs/dbraw/zinc/32/59/52/607325952.db2.gz LASDVPBLEBJFOJ-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM FC(F)(F)c1cc(NN=Cc2cccc3nccn32)ccc1-c1nn[n-]n1 ZINC000822723697 607325953 /nfs/dbraw/zinc/32/59/53/607325953.db2.gz LASDVPBLEBJFOJ-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM C=CCOc1cccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)c1 ZINC000735437150 598379158 /nfs/dbraw/zinc/37/91/58/598379158.db2.gz YFZDGLQGYNSXHT-ATVHPVEESA-N -1 3 373.372 2.776 20 30 FFEDHM C=CCOc1cccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)c1 ZINC000735437150 598379160 /nfs/dbraw/zinc/37/91/60/598379160.db2.gz YFZDGLQGYNSXHT-ATVHPVEESA-N -1 3 373.372 2.776 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SC[C@@H]2CCCc3ccccc32)nc1N ZINC000737704102 598547031 /nfs/dbraw/zinc/54/70/31/598547031.db2.gz HBCXEBPNSHMNQU-LBPRGKRZSA-N -1 3 363.450 2.928 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SC[C@@H]2CCCc3ccccc32)nc1N ZINC000737704102 598547033 /nfs/dbraw/zinc/54/70/33/598547033.db2.gz HBCXEBPNSHMNQU-LBPRGKRZSA-N -1 3 363.450 2.928 20 30 FFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000736817774 598624430 /nfs/dbraw/zinc/62/44/30/598624430.db2.gz JPMPDNLEYLGHPD-UHFFFAOYSA-N -1 3 351.345 2.541 20 30 FFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000736817774 598624432 /nfs/dbraw/zinc/62/44/32/598624432.db2.gz JPMPDNLEYLGHPD-UHFFFAOYSA-N -1 3 351.345 2.541 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735390673 598660010 /nfs/dbraw/zinc/66/00/10/598660010.db2.gz BHRPGOBQXATFFS-UHFFFAOYSA-N -1 3 363.446 2.744 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735390673 598660011 /nfs/dbraw/zinc/66/00/11/598660011.db2.gz BHRPGOBQXATFFS-UHFFFAOYSA-N -1 3 363.446 2.744 20 30 FFEDHM Cc1cc(C(=O)N[C@@H](C#N)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232778 598692044 /nfs/dbraw/zinc/69/20/44/598692044.db2.gz CYNZVCBKGWMRLU-KRWDZBQOSA-N -1 3 363.425 2.552 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735436062 598729855 /nfs/dbraw/zinc/72/98/55/598729855.db2.gz DUYDXLMBWBMNHB-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735436062 598729857 /nfs/dbraw/zinc/72/98/57/598729857.db2.gz DUYDXLMBWBMNHB-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)nc1 ZINC000735389796 598734371 /nfs/dbraw/zinc/73/43/71/598734371.db2.gz KKAWLGJGYCKFQT-UHFFFAOYSA-N -1 3 364.434 2.826 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)nc1 ZINC000735389796 598734372 /nfs/dbraw/zinc/73/43/72/598734372.db2.gz KKAWLGJGYCKFQT-UHFFFAOYSA-N -1 3 364.434 2.826 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737016006 598802043 /nfs/dbraw/zinc/80/20/43/598802043.db2.gz SVEFQXLNDUGRGF-YFHOEESVSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737016006 598802045 /nfs/dbraw/zinc/80/20/45/598802045.db2.gz SVEFQXLNDUGRGF-YFHOEESVSA-N -1 3 368.368 2.927 20 30 FFEDHM C=C(C)CN(CC)C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735398501 599332245 /nfs/dbraw/zinc/33/22/45/599332245.db2.gz HXXGCUAOEZDYTR-UHFFFAOYSA-N -1 3 368.363 2.722 20 30 FFEDHM C=C(C)CN(CC)C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735398501 599332249 /nfs/dbraw/zinc/33/22/49/599332249.db2.gz HXXGCUAOEZDYTR-UHFFFAOYSA-N -1 3 368.363 2.722 20 30 FFEDHM CCOc1cc(C#N)ccc1OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821394909 607377043 /nfs/dbraw/zinc/37/70/43/607377043.db2.gz QCFHDTURCKNXFV-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM CCOc1cc(C#N)ccc1OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821394909 607377045 /nfs/dbraw/zinc/37/70/45/607377045.db2.gz QCFHDTURCKNXFV-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000819759331 599628228 /nfs/dbraw/zinc/62/82/28/599628228.db2.gz UUSVBIRCVWRUDD-LLVKDONJSA-N -1 3 361.471 2.974 20 30 FFEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000819759331 599628229 /nfs/dbraw/zinc/62/82/29/599628229.db2.gz UUSVBIRCVWRUDD-LLVKDONJSA-N -1 3 361.471 2.974 20 30 FFEDHM C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499400 607392333 /nfs/dbraw/zinc/39/23/33/607392333.db2.gz OVTXNXKATPXMMU-CYBMUJFWSA-N -1 3 373.420 2.788 20 30 FFEDHM C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499400 607392334 /nfs/dbraw/zinc/39/23/34/607392334.db2.gz OVTXNXKATPXMMU-CYBMUJFWSA-N -1 3 373.420 2.788 20 30 FFEDHM N#CCC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381645 607429336 /nfs/dbraw/zinc/42/93/36/607429336.db2.gz SUKCKHXHTWIOKQ-GOSISDBHSA-N -1 3 360.421 2.961 20 30 FFEDHM N#CCC[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381645 607429337 /nfs/dbraw/zinc/42/93/37/607429337.db2.gz SUKCKHXHTWIOKQ-GOSISDBHSA-N -1 3 360.421 2.961 20 30 FFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821877806 607458442 /nfs/dbraw/zinc/45/84/42/607458442.db2.gz VYCDBBGUSYPYDD-KPKJPENVSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821877806 607458443 /nfs/dbraw/zinc/45/84/43/607458443.db2.gz VYCDBBGUSYPYDD-KPKJPENVSA-N -1 3 352.325 2.673 20 30 FFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821669153 607461825 /nfs/dbraw/zinc/46/18/25/607461825.db2.gz ZYKAISQOVFRJTR-HJWRWDBZSA-N -1 3 352.325 2.689 20 30 FFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821669153 607461826 /nfs/dbraw/zinc/46/18/26/607461826.db2.gz ZYKAISQOVFRJTR-HJWRWDBZSA-N -1 3 352.325 2.689 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000832875690 601934199 /nfs/dbraw/zinc/93/41/99/601934199.db2.gz CUNSGILFQZMDSS-JXFKEZNVSA-N -1 3 357.454 2.735 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827595069 604220935 /nfs/dbraw/zinc/22/09/35/604220935.db2.gz LJEDAWBZEPWTGV-ARFHVFGLSA-N -1 3 371.437 2.895 20 30 FFEDHM C=C(C)[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)OCC ZINC000833367675 604565390 /nfs/dbraw/zinc/56/53/90/604565390.db2.gz QTJHBJHBSMBZDN-GHTZIAJQSA-N -1 3 374.481 2.593 20 30 FFEDHM CC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC12CCCCC2 ZINC000833391206 605142467 /nfs/dbraw/zinc/14/24/67/605142467.db2.gz OTKZVEGYCFXAMQ-GOSISDBHSA-N -1 3 355.438 2.551 20 30 FFEDHM N#C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000822802240 606206025 /nfs/dbraw/zinc/20/60/25/606206025.db2.gz XTHUBAXMVRSYIU-OAHLLOKOSA-N -1 3 362.349 2.513 20 30 FFEDHM N#C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000822802240 606206026 /nfs/dbraw/zinc/20/60/26/606206026.db2.gz XTHUBAXMVRSYIU-OAHLLOKOSA-N -1 3 362.349 2.513 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1ccccc1 ZINC000822014857 606306011 /nfs/dbraw/zinc/30/60/11/606306011.db2.gz ADIAPUYOWHDIKH-BQYQJAHWSA-N -1 3 363.406 2.713 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)nnn1-c1ccccc1 ZINC000822014857 606306013 /nfs/dbraw/zinc/30/60/13/606306013.db2.gz ADIAPUYOWHDIKH-BQYQJAHWSA-N -1 3 363.406 2.713 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000822922923 606391770 /nfs/dbraw/zinc/39/17/70/606391770.db2.gz KXMGOEINOHEOCV-FNORWQNLSA-N -1 3 367.390 2.781 20 30 FFEDHM C#CCOc1cccc([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819709857 606463930 /nfs/dbraw/zinc/46/39/30/606463930.db2.gz RRMKHCXPTDSRMS-NSHDSACASA-N -1 3 354.391 2.858 20 30 FFEDHM C#CCOc1cccc([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819709857 606463932 /nfs/dbraw/zinc/46/39/32/606463932.db2.gz RRMKHCXPTDSRMS-NSHDSACASA-N -1 3 354.391 2.858 20 30 FFEDHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821154643 606505520 /nfs/dbraw/zinc/50/55/20/606505520.db2.gz QSXGTBJXCTWZEV-AWEZNQCLSA-N -1 3 360.421 2.891 20 30 FFEDHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821154643 606505521 /nfs/dbraw/zinc/50/55/21/606505521.db2.gz QSXGTBJXCTWZEV-AWEZNQCLSA-N -1 3 360.421 2.891 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)s1 ZINC000820152128 606530599 /nfs/dbraw/zinc/53/05/99/606530599.db2.gz TYWIMJYNBCDICI-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)s1 ZINC000820152128 606530600 /nfs/dbraw/zinc/53/06/00/606530600.db2.gz TYWIMJYNBCDICI-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820841996 606613868 /nfs/dbraw/zinc/61/38/68/606613868.db2.gz HZSYVPSTCDFJCZ-HNNXBMFYSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000820841996 606613870 /nfs/dbraw/zinc/61/38/70/606613870.db2.gz HZSYVPSTCDFJCZ-HNNXBMFYSA-N -1 3 363.377 2.905 20 30 FFEDHM Cc1ccc(C#N)cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822224947 606703206 /nfs/dbraw/zinc/70/32/06/606703206.db2.gz GXIZYZVNRMPSCO-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1ccc(C#N)cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822224947 606703207 /nfs/dbraw/zinc/70/32/07/606703207.db2.gz GXIZYZVNRMPSCO-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819745423 607233336 /nfs/dbraw/zinc/23/33/36/607233336.db2.gz CDRDEAPJIAKNSI-UHFFFAOYSA-N -1 3 372.791 2.883 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819745423 607233337 /nfs/dbraw/zinc/23/33/37/607233337.db2.gz CDRDEAPJIAKNSI-UHFFFAOYSA-N -1 3 372.791 2.883 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C2CC2)CC1 ZINC000823910164 607781884 /nfs/dbraw/zinc/78/18/84/607781884.db2.gz YBIFHXXGYMHVLY-UHFFFAOYSA-N -1 3 352.442 2.755 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C2CC2)CC1 ZINC000823910164 607781885 /nfs/dbraw/zinc/78/18/85/607781885.db2.gz YBIFHXXGYMHVLY-UHFFFAOYSA-N -1 3 352.442 2.755 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826010520 607843125 /nfs/dbraw/zinc/84/31/25/607843125.db2.gz LXQUCNUODPURKT-WMZJFQQLSA-N -1 3 359.389 2.672 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826010520 607843126 /nfs/dbraw/zinc/84/31/26/607843126.db2.gz LXQUCNUODPURKT-WMZJFQQLSA-N -1 3 359.389 2.672 20 30 FFEDHM N#Cc1ccc([C@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)C(N)=O)cc1 ZINC000826384812 607844080 /nfs/dbraw/zinc/84/40/80/607844080.db2.gz KOOQZTKDZZKIGS-AWEZNQCLSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1ccc([C@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)C(N)=O)cc1 ZINC000826384812 607844081 /nfs/dbraw/zinc/84/40/81/607844081.db2.gz KOOQZTKDZZKIGS-AWEZNQCLSA-N -1 3 370.825 2.710 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826177018 607872208 /nfs/dbraw/zinc/87/22/08/607872208.db2.gz OBPWBVPHSCQTLN-CQSZACIVSA-N -1 3 371.784 2.513 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826177018 607872209 /nfs/dbraw/zinc/87/22/09/607872209.db2.gz OBPWBVPHSCQTLN-CQSZACIVSA-N -1 3 371.784 2.513 20 30 FFEDHM C=CCc1cc(OC)ccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823936952 607872465 /nfs/dbraw/zinc/87/24/65/607872465.db2.gz ASWSQXUXUNKFRH-KRWDZBQOSA-N -1 3 352.394 2.716 20 30 FFEDHM C=CCc1cc(OC)ccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823936952 607872466 /nfs/dbraw/zinc/87/24/66/607872466.db2.gz ASWSQXUXUNKFRH-KRWDZBQOSA-N -1 3 352.394 2.716 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)OCC ZINC000823874043 607893818 /nfs/dbraw/zinc/89/38/18/607893818.db2.gz RPEIFOXUEJHTPI-CYBMUJFWSA-N -1 3 367.356 2.778 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)OCC ZINC000823874043 607893819 /nfs/dbraw/zinc/89/38/19/607893819.db2.gz RPEIFOXUEJHTPI-CYBMUJFWSA-N -1 3 367.356 2.778 20 30 FFEDHM C#CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823838327 607956366 /nfs/dbraw/zinc/95/63/66/607956366.db2.gz OFVDECHMOJZDNL-PBHICJAKSA-N -1 3 361.405 2.515 20 30 FFEDHM C#CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823838327 607956367 /nfs/dbraw/zinc/95/63/67/607956367.db2.gz OFVDECHMOJZDNL-PBHICJAKSA-N -1 3 361.405 2.515 20 30 FFEDHM CCC(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1F ZINC000825034827 607962196 /nfs/dbraw/zinc/96/21/96/607962196.db2.gz RFXXALABKZFTCT-UHFFFAOYSA-N -1 3 364.340 2.722 20 30 FFEDHM CCC(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1F ZINC000825034827 607962197 /nfs/dbraw/zinc/96/21/97/607962197.db2.gz RFXXALABKZFTCT-UHFFFAOYSA-N -1 3 364.340 2.722 20 30 FFEDHM C=C[C@@H](CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883381 607981140 /nfs/dbraw/zinc/98/11/40/607981140.db2.gz PUNFUENBAAKPOD-AWEZNQCLSA-N -1 3 362.389 2.953 20 30 FFEDHM C=C[C@@H](CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883381 607981141 /nfs/dbraw/zinc/98/11/41/607981141.db2.gz PUNFUENBAAKPOD-AWEZNQCLSA-N -1 3 362.389 2.953 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(CC#N)cc1 ZINC000826167378 608000813 /nfs/dbraw/zinc/00/08/13/608000813.db2.gz AROCGRGTEPJRIE-UHFFFAOYSA-N -1 3 369.768 2.814 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(CC#N)cc1 ZINC000826167378 608000814 /nfs/dbraw/zinc/00/08/14/608000814.db2.gz AROCGRGTEPJRIE-UHFFFAOYSA-N -1 3 369.768 2.814 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c(C)noc1CC ZINC000823909757 608008963 /nfs/dbraw/zinc/00/89/63/608008963.db2.gz PNHDMFLZDSRXLD-UHFFFAOYSA-N -1 3 367.413 2.946 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c(C)noc1CC ZINC000823909757 608008964 /nfs/dbraw/zinc/00/89/64/608008964.db2.gz PNHDMFLZDSRXLD-UHFFFAOYSA-N -1 3 367.413 2.946 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823953798 608091599 /nfs/dbraw/zinc/09/15/99/608091599.db2.gz QLPXSIJZFZNUHW-UHFFFAOYSA-N -1 3 357.468 2.947 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(F)c(Cl)cc2F)ccc1-c1nnn[n-]1 ZINC000826384059 608158414 /nfs/dbraw/zinc/15/84/14/608158414.db2.gz FBFIUDBPCIIMDM-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(F)c(Cl)cc2F)ccc1-c1nn[n-]n1 ZINC000826384059 608158416 /nfs/dbraw/zinc/15/84/16/608158416.db2.gz FBFIUDBPCIIMDM-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824184020 608205087 /nfs/dbraw/zinc/20/50/87/608205087.db2.gz BRMLSSPNMVMBEC-HNNXBMFYSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824184020 608205088 /nfs/dbraw/zinc/20/50/88/608205088.db2.gz BRMLSSPNMVMBEC-HNNXBMFYSA-N -1 3 364.862 2.667 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826256874 608482180 /nfs/dbraw/zinc/48/21/80/608482180.db2.gz DNZZBYYKZYRMNU-UHFFFAOYSA-N -1 3 370.416 2.976 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826256874 608482181 /nfs/dbraw/zinc/48/21/81/608482181.db2.gz DNZZBYYKZYRMNU-UHFFFAOYSA-N -1 3 370.416 2.976 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384767 608485635 /nfs/dbraw/zinc/48/56/35/608485635.db2.gz IUUMWTTXGIQASO-UHFFFAOYSA-N -1 3 370.416 2.597 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384767 608485636 /nfs/dbraw/zinc/48/56/36/608485636.db2.gz IUUMWTTXGIQASO-UHFFFAOYSA-N -1 3 370.416 2.597 20 30 FFEDHM C=CCN(Cc1nn(C)c2ccccc12)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914818 608632548 /nfs/dbraw/zinc/63/25/48/608632548.db2.gz OAXLCXHLVARPAA-UHFFFAOYSA-N -1 3 359.437 2.942 20 30 FFEDHM C#CCN(CC#C)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823845488 608707007 /nfs/dbraw/zinc/70/70/07/608707007.db2.gz UYCSNHAWTXHJDJ-UHFFFAOYSA-N -1 3 357.417 2.514 20 30 FFEDHM C#CCN(CC#C)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823845488 608707008 /nfs/dbraw/zinc/70/70/08/608707008.db2.gz UYCSNHAWTXHJDJ-UHFFFAOYSA-N -1 3 357.417 2.514 20 30 FFEDHM C=CCC[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823894650 609251748 /nfs/dbraw/zinc/25/17/48/609251748.db2.gz VNZBBKUTFVZZIH-MSOLQXFVSA-N -1 3 363.421 2.724 20 30 FFEDHM C=CCC[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894650 609251749 /nfs/dbraw/zinc/25/17/49/609251749.db2.gz VNZBBKUTFVZZIH-MSOLQXFVSA-N -1 3 363.421 2.724 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000823962154 609275920 /nfs/dbraw/zinc/27/59/20/609275920.db2.gz GJEZIVVIRROVQJ-UHFFFAOYSA-N -1 3 368.376 2.900 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000823962154 609275922 /nfs/dbraw/zinc/27/59/22/609275922.db2.gz GJEZIVVIRROVQJ-UHFFFAOYSA-N -1 3 368.376 2.900 20 30 FFEDHM CSc1ccccc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000826231410 609280406 /nfs/dbraw/zinc/28/04/06/609280406.db2.gz KHZYTFRFGAVJOU-UHFFFAOYSA-N -1 3 355.452 2.730 20 30 FFEDHM CSc1ccccc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000826231410 609280407 /nfs/dbraw/zinc/28/04/07/609280407.db2.gz KHZYTFRFGAVJOU-UHFFFAOYSA-N -1 3 355.452 2.730 20 30 FFEDHM C[C@@H](NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824634276 609303525 /nfs/dbraw/zinc/30/35/25/609303525.db2.gz VBFZOBQNKJQASA-CQSZACIVSA-N -1 3 372.436 2.952 20 30 FFEDHM C[C@@H](NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824634276 609303526 /nfs/dbraw/zinc/30/35/26/609303526.db2.gz VBFZOBQNKJQASA-CQSZACIVSA-N -1 3 372.436 2.952 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](F)Cc1ccccc1 ZINC000823909565 609315515 /nfs/dbraw/zinc/31/55/15/609315515.db2.gz JJGJUSPBHIOTHT-GOSISDBHSA-N -1 3 365.412 2.962 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](F)Cc1ccccc1 ZINC000823909565 609315517 /nfs/dbraw/zinc/31/55/17/609315517.db2.gz JJGJUSPBHIOTHT-GOSISDBHSA-N -1 3 365.412 2.962 20 30 FFEDHM Cc1cccc2c1NC(=O)C2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826305261 609471530 /nfs/dbraw/zinc/47/15/30/609471530.db2.gz QCMGSYFFMXVLTI-UHFFFAOYSA-N -1 3 353.773 2.597 20 30 FFEDHM Cc1cccc2c1NC(=O)C2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826305261 609471532 /nfs/dbraw/zinc/47/15/32/609471532.db2.gz QCMGSYFFMXVLTI-UHFFFAOYSA-N -1 3 353.773 2.597 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)noc1C1CC1 ZINC000823914167 609498712 /nfs/dbraw/zinc/49/87/12/609498712.db2.gz CBJVCKURCZRIPQ-UHFFFAOYSA-N -1 3 364.409 2.869 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)noc1C1CC1 ZINC000823914167 609498714 /nfs/dbraw/zinc/49/87/14/609498714.db2.gz CBJVCKURCZRIPQ-UHFFFAOYSA-N -1 3 364.409 2.869 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C)s2)ccc1F ZINC000045312510 728000573 /nfs/dbraw/zinc/00/05/73/728000573.db2.gz UBCUVGZDWOMCGN-UHFFFAOYSA-N -1 3 369.443 2.616 20 30 FFEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000747108690 735534657 /nfs/dbraw/zinc/53/46/57/735534657.db2.gz JPLRUXNHRQTWQU-GFCCVEGCSA-N -1 3 360.391 2.735 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)CC2CC2)ccc1F ZINC000115250112 728564647 /nfs/dbraw/zinc/56/46/47/728564647.db2.gz OGVCFQCEYAVNJR-UHFFFAOYSA-N -1 3 366.458 2.552 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)nc2C)ccc1F ZINC000121661526 728634762 /nfs/dbraw/zinc/63/47/62/728634762.db2.gz LXVFOPLOYYIULX-UHFFFAOYSA-N -1 3 363.414 2.554 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1C ZINC000129681425 728712697 /nfs/dbraw/zinc/71/26/97/728712697.db2.gz BIQOMJBIHSLJQI-JTQLQIEISA-N -1 3 351.193 2.997 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(Cl)(Cl)Cl ZINC000132870528 728725647 /nfs/dbraw/zinc/72/56/47/728725647.db2.gz UARXGTYLFFCTON-UHFFFAOYSA-N -1 3 351.617 2.709 20 30 FFEDHM CN(CC/N=C/c1cc(Cl)ccc1[O-])S(=O)(=O)c1cccs1 ZINC000151347800 728745158 /nfs/dbraw/zinc/74/51/58/728745158.db2.gz GPGQXAZELWJJRS-MHWRWJLKSA-N -1 3 358.872 2.847 20 30 FFEDHM C#CCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000173790179 729054057 /nfs/dbraw/zinc/05/40/57/729054057.db2.gz AVYDZDQRPZOGEW-UHFFFAOYSA-N -1 3 366.664 2.803 20 30 FFEDHM CCn1nc(C)c(C(=O)/C=C\c2cc(Br)c([O-])c(OC)c2)n1 ZINC000905082741 736293600 /nfs/dbraw/zinc/29/36/00/736293600.db2.gz AJPFNJDCDNBBQH-WAYWQWQTSA-N -1 3 366.215 2.979 20 30 FFEDHM Cn1cnn(-c2ccc(N=Cc3cc(Br)ccc3[O-])cc2)c1=O ZINC000255658868 729644695 /nfs/dbraw/zinc/64/46/95/729644695.db2.gz XLWUANJCLWKQJC-UHFFFAOYSA-N -1 3 373.210 2.790 20 30 FFEDHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000312855622 729743823 /nfs/dbraw/zinc/74/38/23/729743823.db2.gz WQZNDZZKLCRXQZ-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM C=CCCC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000761385713 736729620 /nfs/dbraw/zinc/72/96/20/736729620.db2.gz OIMBMEAKJIWMIQ-UHFFFAOYSA-N -1 3 371.430 2.595 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000856200446 730315072 /nfs/dbraw/zinc/31/50/72/730315072.db2.gz QBOUJMHEFMHVNQ-GASCZTMLSA-N -1 3 364.442 2.590 20 30 FFEDHM C=CCCC(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000856373988 730330276 /nfs/dbraw/zinc/33/02/76/730330276.db2.gz HVKYNBXSVPYJQF-UHFFFAOYSA-N -1 3 354.447 2.741 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000862396984 730696857 /nfs/dbraw/zinc/69/68/57/730696857.db2.gz HKAXZGZRQATVEQ-UHFFFAOYSA-N -1 3 372.437 2.738 20 30 FFEDHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000879261750 732674638 /nfs/dbraw/zinc/67/46/38/732674638.db2.gz POFPAXWKOPAZHU-WDEREUQCSA-N -1 3 365.739 2.623 20 30 FFEDHM C[C@H](C#N)OCCN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879468350 732707106 /nfs/dbraw/zinc/70/71/06/732707106.db2.gz RYJGNHXNFFGBCS-CHWSQXEVSA-N -1 3 355.360 2.587 20 30 FFEDHM CCc1ccc(Br)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000880955196 732997168 /nfs/dbraw/zinc/99/71/68/732997168.db2.gz QQFAPBCUWPVJJY-LLVKDONJSA-N -1 3 356.220 2.513 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OCC ZINC000882645453 733264291 /nfs/dbraw/zinc/26/42/91/733264291.db2.gz VAWUUHPWQCYSEY-CQSZACIVSA-N -1 3 361.410 2.942 20 30 FFEDHM N#CCn1cc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cn1 ZINC000727360140 734479782 /nfs/dbraw/zinc/47/97/82/734479782.db2.gz YVNCPVDHKWDTLQ-QPJJXVBHSA-N -1 3 367.228 2.582 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000734120274 734875505 /nfs/dbraw/zinc/87/55/05/734875505.db2.gz UUCSSEBGSWCRPM-UHFFFAOYSA-N -1 3 356.382 2.992 20 30 FFEDHM N#Cc1ccc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(Br)c1 ZINC000897348359 735223205 /nfs/dbraw/zinc/22/32/05/735223205.db2.gz DHIIEAHDYHWYDV-LLVKDONJSA-N -1 3 360.215 2.507 20 30 FFEDHM N#CC1(NC(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])CCCCC1 ZINC000748478844 735648927 /nfs/dbraw/zinc/64/89/27/735648927.db2.gz XUSXQOAQYKKALM-UHFFFAOYSA-N -1 3 354.765 2.684 20 30 FFEDHM CC(C)CN(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000751381543 735867986 /nfs/dbraw/zinc/86/79/86/735867986.db2.gz VLQQFBCSKSMQRT-UHFFFAOYSA-N -1 3 369.462 2.524 20 30 FFEDHM O=C([C@@H]1CCc2nncn2CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178293 736230743 /nfs/dbraw/zinc/23/07/43/736230743.db2.gz DYWXDZHIAYOXBZ-LLVKDONJSA-N -1 3 355.225 2.955 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCCC2(C)C)ccc1F ZINC000757766606 736425564 /nfs/dbraw/zinc/42/55/64/736425564.db2.gz QCZAHJZJXVTZTE-INIZCTEOSA-N -1 3 368.474 2.989 20 30 FFEDHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000760893627 736677922 /nfs/dbraw/zinc/67/79/22/736677922.db2.gz LIIREBGFOQTJFR-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM C[C@@H](c1cccs1)c1noc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000762194335 736802244 /nfs/dbraw/zinc/80/22/44/736802244.db2.gz MMFVKRHIUCDRCS-JTQLQIEISA-N -1 3 374.447 2.522 20 30 FFEDHM CC[C@H](C)NS(=O)(=O)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000763095619 736901865 /nfs/dbraw/zinc/90/18/65/736901865.db2.gz DXMOZXKTWWBQSJ-NSHDSACASA-N -1 3 364.423 2.631 20 30 FFEDHM COc1cc(C=NNS(=O)(=O)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000764724605 737044174 /nfs/dbraw/zinc/04/41/74/737044174.db2.gz XGNXATGOLQDSAE-UHFFFAOYSA-N -1 3 358.778 2.506 20 30 FFEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)ccc1F ZINC000766582427 737244704 /nfs/dbraw/zinc/24/47/04/737244704.db2.gz WZMAAAUFCLDTSM-KRWDZBQOSA-N -1 3 369.462 2.571 20 30 FFEDHM CC(C)[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCC(C)(C)C ZINC000914616835 737586835 /nfs/dbraw/zinc/58/68/35/737586835.db2.gz FWDYFYYTWYYFQM-HNNXBMFYSA-N -1 3 366.483 2.729 20 30 FFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000770393671 737622450 /nfs/dbraw/zinc/62/24/50/737622450.db2.gz PWYXUXXRVLWWTR-LLVKDONJSA-N -1 3 351.449 2.768 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)C(C)C)ccc1F ZINC000916049069 737675000 /nfs/dbraw/zinc/67/50/00/737675000.db2.gz UDKDXOWFNWYOSL-UHFFFAOYSA-N -1 3 354.447 2.551 20 30 FFEDHM COc1cc(C=Nn2cnc3ccccc3c2=O)cc(Br)c1[O-] ZINC000916369686 737699177 /nfs/dbraw/zinc/69/91/77/737699177.db2.gz IZSINOGJHKWSKA-UHFFFAOYSA-N -1 3 374.194 2.755 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C)CC2)ccc1F ZINC000785636947 738984999 /nfs/dbraw/zinc/98/49/99/738984999.db2.gz DLEGGXSNDOBEQJ-HIFRSBDPSA-N -1 3 368.474 2.989 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(N=Cc2cccc(OC)c2O)cc1OC ZINC000917558116 737764254 /nfs/dbraw/zinc/76/42/54/737764254.db2.gz GZBMOMUKIQBZNW-UHFFFAOYSA-N -1 3 364.423 2.922 20 30 FFEDHM COC1(OC)CCCC[C@@H]1[N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC000918061361 737790984 /nfs/dbraw/zinc/79/09/84/737790984.db2.gz PNMWIKSGBQHIJC-KRWDZBQOSA-N -1 3 366.483 2.526 20 30 FFEDHM CC/C=C\COC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000918502229 737807458 /nfs/dbraw/zinc/80/74/58/737807458.db2.gz DKPSKOILSSXBLY-ZHMISCPASA-N -1 3 364.467 2.793 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N2CCSc3ccccc32)c1 ZINC000776275585 738176924 /nfs/dbraw/zinc/17/69/24/738176924.db2.gz UPVPEYFPKJBJET-UHFFFAOYSA-N -1 3 354.387 2.560 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CC(C)(C)C2)ccc1F ZINC000784712379 738913725 /nfs/dbraw/zinc/91/37/25/738913725.db2.gz IRYLSEOILRFSJT-CYBMUJFWSA-N -1 3 368.474 2.798 20 30 FFEDHM COc1cc(C=NNCCc2ccccn2)cc(Br)c1[O-] ZINC000789102782 739316444 /nfs/dbraw/zinc/31/64/44/739316444.db2.gz GMJZTFINTGYCTK-UHFFFAOYSA-N -1 3 350.216 2.725 20 30 FFEDHM CCOC(=O)c1scnc1/C=C/C(=O)c1cc(OC)c([O-])cc1OC ZINC000794941191 739944437 /nfs/dbraw/zinc/94/44/37/739944437.db2.gz KIUSCXJCRZTJOK-AATRIKPKSA-N -1 3 363.391 2.939 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1 ZINC000795565893 740038317 /nfs/dbraw/zinc/03/83/17/740038317.db2.gz ZPZKGUVGQBWKNP-OAHLLOKOSA-N -1 3 368.430 2.753 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nnn1C(C)C ZINC000796748253 740179693 /nfs/dbraw/zinc/17/96/93/740179693.db2.gz VDVRTHZTCXCBNF-NSHDSACASA-N -1 3 363.780 2.921 20 30 FFEDHM C=C(C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000797826911 740277099 /nfs/dbraw/zinc/27/70/99/740277099.db2.gz NXOFOQPHBDWDKV-HNNXBMFYSA-N -1 3 358.891 2.506 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCSC(C)C)ccc1F ZINC000803273776 740783215 /nfs/dbraw/zinc/78/32/15/740783215.db2.gz VSOOIMZSZPFEDK-UHFFFAOYSA-N -1 3 361.460 2.588 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805104307 740938999 /nfs/dbraw/zinc/93/89/99/740938999.db2.gz UUBCMEJTHFJLEO-ZDUSSCGKSA-N -1 3 352.818 2.787 20 30 FFEDHM O=S(=O)(c1ccccc1)N1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000806552197 741069241 /nfs/dbraw/zinc/06/92/41/741069241.db2.gz QPFPICRVZUNXGM-BKQORJHRSA-N -1 3 364.854 2.928 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1cccs1 ZINC000809851194 741355067 /nfs/dbraw/zinc/35/50/67/741355067.db2.gz JBGZBISIRZZSLH-HNNXBMFYSA-N -1 3 368.455 2.797 20 30 FFEDHM CC(C)OC(=O)Cc1nc(COC(=O)c2cc([O-])cc(C#N)c2)cs1 ZINC000811188408 741492136 /nfs/dbraw/zinc/49/21/36/741492136.db2.gz IYLPYCZYCSARSI-UHFFFAOYSA-N -1 3 360.391 2.571 20 30 FFEDHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NC1(C#N)CCC1 ZINC000811393854 741515100 /nfs/dbraw/zinc/51/51/00/741515100.db2.gz FOPKDIDZMIVBLI-MRVPVSSYSA-N -1 3 351.815 2.991 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([O-])ccc2Cl)[C@@H](C#N)C1 ZINC000815755074 741957849 /nfs/dbraw/zinc/95/78/49/741957849.db2.gz PXKRYTJUXHBEIM-NSHDSACASA-N -1 3 365.817 2.631 20 30 FFEDHM Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CCN([O-])C2=O)cc1C ZINC000816692562 742053535 /nfs/dbraw/zinc/05/35/35/742053535.db2.gz QOIPMTIMBIMIIS-HNNXBMFYSA-N -1 3 357.435 2.570 20 30 FFEDHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816753354 742058795 /nfs/dbraw/zinc/05/87/95/742058795.db2.gz GSJJSFMVXVUMNS-GFCCVEGCSA-N -1 3 365.842 2.882 20 30 FFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000820482574 742510702 /nfs/dbraw/zinc/51/07/02/742510702.db2.gz NJRLRKOBKBHOBV-MRXNPFEDSA-N -1 3 361.829 2.858 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825399397 743263047 /nfs/dbraw/zinc/26/30/47/743263047.db2.gz SASHVGHRKMSLAF-SNVBAGLBSA-N -1 3 364.862 2.620 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825399397 743263052 /nfs/dbraw/zinc/26/30/52/743263052.db2.gz SASHVGHRKMSLAF-SNVBAGLBSA-N -1 3 364.862 2.620 20 30 FFEDHM C=CCO[N-]C(=O)CCCOc1ccc(I)cc1 ZINC000837044798 746355472 /nfs/dbraw/zinc/35/54/72/746355472.db2.gz SQMOWSVBIZOWIL-UHFFFAOYSA-N -1 3 361.179 2.684 20 30 FFEDHM N#Cc1ccc(CSCC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000837435484 746444952 /nfs/dbraw/zinc/44/49/52/746444952.db2.gz KQPNCULAZZCMKC-UHFFFAOYSA-N -1 3 355.419 2.908 20 30 FFEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000839444385 746829664 /nfs/dbraw/zinc/82/96/64/746829664.db2.gz DPZHZJLXTMOCFR-OCCSQVGLSA-N -1 3 368.430 2.752 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841505077 747373906 /nfs/dbraw/zinc/37/39/06/747373906.db2.gz QTDIEIAIKHHMNO-UHFFFAOYSA-N -1 3 350.318 2.695 20 30 FFEDHM Cc1c(Br)c(C)n([N-]C(=O)C(F)=C2CCCC2)c(=O)c1C#N ZINC000848375091 748915187 /nfs/dbraw/zinc/91/51/87/748915187.db2.gz GKLUSZATKMVHSW-UHFFFAOYSA-N -1 3 368.206 2.967 20 30 FFEDHM Cc1c(Br)c(C)n([N-]C(=O)C2(F)CCCCC2)c(=O)c1C#N ZINC000848375831 748915286 /nfs/dbraw/zinc/91/52/86/748915286.db2.gz ZPTLEMSPWXZHEQ-UHFFFAOYSA-N -1 3 370.222 2.842 20 30 FFEDHM CS(=O)(=O)CC1(CC/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000849170718 749065410 /nfs/dbraw/zinc/06/54/10/749065410.db2.gz SYMBAEZGCUWLDC-CXUHLZMHSA-N -1 3 360.273 2.789 20 30 FFEDHM C=CCCOCCCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823899543 946510440 /nfs/dbraw/zinc/51/04/40/946510440.db2.gz XZBQVILOJFZYQH-UHFFFAOYSA-N -1 3 355.442 2.735 20 30 FFEDHM C=CCCOCCCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823899543 946510451 /nfs/dbraw/zinc/51/04/51/946510451.db2.gz XZBQVILOJFZYQH-UHFFFAOYSA-N -1 3 355.442 2.735 20 30 FFEDHM C#C[C@H](Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001573280694 946666374 /nfs/dbraw/zinc/66/63/74/946666374.db2.gz RAIAVKSXLHJHJZ-LBPRGKRZSA-N -1 3 355.745 2.610 20 30 FFEDHM C#C[C@H](Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001573280694 946666380 /nfs/dbraw/zinc/66/63/80/946666380.db2.gz RAIAVKSXLHJHJZ-LBPRGKRZSA-N -1 3 355.745 2.610 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC001573287727 946846378 /nfs/dbraw/zinc/84/63/78/946846378.db2.gz DZKZSUDLQLIZEN-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC001573287727 946846391 /nfs/dbraw/zinc/84/63/91/946846391.db2.gz DZKZSUDLQLIZEN-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573299190 947088099 /nfs/dbraw/zinc/08/80/99/947088099.db2.gz IJLPUYICUAVXBB-OLZOCXBDSA-N -1 3 358.421 2.763 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573299190 947088112 /nfs/dbraw/zinc/08/81/12/947088112.db2.gz IJLPUYICUAVXBB-OLZOCXBDSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573299544 947095794 /nfs/dbraw/zinc/09/57/94/947095794.db2.gz FSGVGIRISKLAJJ-CYBMUJFWSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573299544 947095811 /nfs/dbraw/zinc/09/58/11/947095811.db2.gz FSGVGIRISKLAJJ-CYBMUJFWSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573299707 947099852 /nfs/dbraw/zinc/09/98/52/947099852.db2.gz GSNHAXYHJYNOFF-UWVGGRQHSA-N -1 3 363.491 2.539 20 30 FFEDHM C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573329638 947423222 /nfs/dbraw/zinc/42/32/22/947423222.db2.gz MLVBBDWRYCFBGY-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573329638 947423228 /nfs/dbraw/zinc/42/32/28/947423228.db2.gz MLVBBDWRYCFBGY-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCC(=O)N(C)[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573330557 947435536 /nfs/dbraw/zinc/43/55/36/947435536.db2.gz YYUOMNWYWJNWSA-HNNXBMFYSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCC(=O)N(C)[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573330557 947435541 /nfs/dbraw/zinc/43/55/41/947435541.db2.gz YYUOMNWYWJNWSA-HNNXBMFYSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)Cc1ccoc1 ZINC001573349096 947592342 /nfs/dbraw/zinc/59/23/42/947592342.db2.gz YWDABEIYHLROJE-UHFFFAOYSA-N -1 3 362.397 2.541 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)Cc1ccoc1 ZINC001573349096 947592348 /nfs/dbraw/zinc/59/23/48/947592348.db2.gz YWDABEIYHLROJE-UHFFFAOYSA-N -1 3 362.397 2.541 20 30 FFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826210824 947616956 /nfs/dbraw/zinc/61/69/56/947616956.db2.gz GKWUNIMOAXISEP-QPJJXVBHSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826210824 947616968 /nfs/dbraw/zinc/61/69/68/947616968.db2.gz GKWUNIMOAXISEP-QPJJXVBHSA-N -1 3 354.341 2.919 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788576 949198651 /nfs/dbraw/zinc/19/86/51/949198651.db2.gz NJWLEKNABGUSCH-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788576 949198668 /nfs/dbraw/zinc/19/86/68/949198668.db2.gz NJWLEKNABGUSCH-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM C[C@@H](CC#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001574473232 949564375 /nfs/dbraw/zinc/56/43/75/949564375.db2.gz YVTUKJFUOLJJMO-ZDUSSCGKSA-N -1 3 362.393 2.934 20 30 FFEDHM C[C@@H](CC#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001574473232 949564387 /nfs/dbraw/zinc/56/43/87/949564387.db2.gz YVTUKJFUOLJJMO-ZDUSSCGKSA-N -1 3 362.393 2.934 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC4(CC3)CC(=O)C=CO4)nc2)n1 ZINC000896880669 971982251 /nfs/dbraw/zinc/98/22/51/971982251.db2.gz KIWKYSPLVHBRFN-UHFFFAOYSA-N -1 3 366.421 2.649 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001594298580 957888628 /nfs/dbraw/zinc/88/86/28/957888628.db2.gz XOTUGQUDSDEIML-BZSNNMDCSA-N -1 3 371.481 2.981 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001594298684 957889468 /nfs/dbraw/zinc/88/94/68/957889468.db2.gz XOTUGQUDSDEIML-SQNIBIBYSA-N -1 3 371.481 2.981 20 30 FFEDHM C=CCC[C@H](C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000890535955 959153159 /nfs/dbraw/zinc/15/31/59/959153159.db2.gz WWADJKBRKDRDSG-SJORKVTESA-N -1 3 352.438 2.627 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc(F)cc1F ZINC000017223521 964185579 /nfs/dbraw/zinc/18/55/79/964185579.db2.gz ARDUJSQPVDBNQD-UHFFFAOYSA-N -1 3 374.343 2.500 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)[C@@H]2CC)C1 ZINC001087717722 968714454 /nfs/dbraw/zinc/71/44/54/968714454.db2.gz NKKYACALPPNZQU-DLBZAZTESA-N -1 3 370.497 2.885 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cnc(C4CC4)s3)n2)cc1 ZINC001126549389 969122289 /nfs/dbraw/zinc/12/22/89/969122289.db2.gz FXOGOLCDTFYOOV-UHFFFAOYSA-N -1 3 350.407 2.784 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1[O-] ZINC000899230215 977028435 /nfs/dbraw/zinc/02/84/35/977028435.db2.gz FPHFMHWIZRCLGL-PMPIUGFUSA-N -1 3 363.458 2.652 20 30 FFEDHM C=CCC[C@H](C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1)c1ccccc1 ZINC000899498083 977193149 /nfs/dbraw/zinc/19/31/49/977193149.db2.gz KXGBGFPBRXVESX-SFHVURJKSA-N -1 3 366.465 2.889 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2cccc([C@H](C)N3CCOCC3)c2)c1[O-] ZINC000729150796 978190664 /nfs/dbraw/zinc/19/06/64/978190664.db2.gz YNKAJLPLYLCMAC-HNNXBMFYSA-N -1 3 355.438 2.732 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c([O-])cccc1OC ZINC001271876801 979204160 /nfs/dbraw/zinc/20/41/60/979204160.db2.gz OGHXSESQUNYJJC-HXUWFJFHSA-N -1 3 358.438 2.574 20 30 FFEDHM C=CCCC[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908752939 981522793 /nfs/dbraw/zinc/52/27/93/981522793.db2.gz TYCHALOIYARJMZ-ROUUACIJSA-N -1 3 359.470 2.932 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)c1ccc(Cl)cc1 ZINC001212074655 981573012 /nfs/dbraw/zinc/57/30/12/981573012.db2.gz GPXJQRLFKXKLLD-CYBMUJFWSA-N -1 3 367.810 2.681 20 30 FFEDHM C#CCOCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000157136736 984461933 /nfs/dbraw/zinc/46/19/33/984461933.db2.gz MGQNYDJTLHQOGP-UHFFFAOYSA-N -1 3 372.446 2.774 20 30 FFEDHM Nc1ncccc1C=[NH+][N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000764689685 984631820 /nfs/dbraw/zinc/63/18/20/984631820.db2.gz GPCSJQZRRBBPNV-UHFFFAOYSA-N -1 3 367.434 2.911 20 30 FFEDHM O=C(Nc1ccc(COCc2ccccc2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000878797313 1015225211 /nfs/dbraw/zinc/22/52/11/1015225211.db2.gz XOPATYFVLGXIMH-GOSISDBHSA-N -1 3 369.421 2.905 20 30 FFEDHM C=CCOc1ccccc1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503121 988420288 /nfs/dbraw/zinc/42/02/88/988420288.db2.gz GLOKHIFIZBAICX-KGLIPLIRSA-N -1 3 369.421 2.745 20 30 FFEDHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001599864439 989220121 /nfs/dbraw/zinc/22/01/21/989220121.db2.gz IGZOVWZEDFZYBH-DAXOMENPSA-N -1 3 359.426 2.529 20 30 FFEDHM CCCc1c(NC(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccc(C)cc1 ZINC000879375947 1015503023 /nfs/dbraw/zinc/50/30/23/1015503023.db2.gz YCIXJZPXUSIVGN-HNNXBMFYSA-N -1 3 371.441 2.635 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nc1C ZINC000916899354 990015968 /nfs/dbraw/zinc/01/59/68/990015968.db2.gz OCTVUZMMPJLCRX-HNNXBMFYSA-N -1 3 351.362 2.528 20 30 FFEDHM N#CC(C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)=C([O-])C=C1CCCC1 ZINC000918489345 990404916 /nfs/dbraw/zinc/40/49/16/990404916.db2.gz KPINCGPDNMDHJQ-GFCCVEGCSA-N -1 3 371.349 2.514 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000920383350 990842476 /nfs/dbraw/zinc/84/24/76/990842476.db2.gz JQETXIDXSHSDPC-UHFFFAOYSA-N -1 3 371.462 2.657 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@H](C)CO ZINC000921464391 991087232 /nfs/dbraw/zinc/08/72/32/991087232.db2.gz ISMZMVWAVWNNLJ-CQSZACIVSA-N -1 3 367.449 2.618 20 30 FFEDHM CN(CCC#N)c1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001598468744 991991379 /nfs/dbraw/zinc/99/13/79/991991379.db2.gz IZQOIGTYDTYQOX-FQEVSTJZSA-N -1 3 352.438 2.911 20 30 FFEDHM CN(CCOCc1ccc(C#N)cc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598497772 992387324 /nfs/dbraw/zinc/38/73/24/992387324.db2.gz HIULNHIRUTZDHG-UHFFFAOYSA-N -1 3 354.406 2.670 20 30 FFEDHM CC(C)c1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)n(Cc2ccccc2)n1 ZINC000880034919 1015739710 /nfs/dbraw/zinc/73/97/10/1015739710.db2.gz KXYIMLWOGCRAKX-OAHLLOKOSA-N -1 3 371.441 2.557 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1nnc2ccccc2n1 ZINC000810530297 994812445 /nfs/dbraw/zinc/81/24/45/994812445.db2.gz ACDSVJRJNZMXGR-JTQLQIEISA-N -1 3 369.743 2.778 20 30 FFEDHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184883 995050761 /nfs/dbraw/zinc/05/07/61/995050761.db2.gz UXYVMBYEHNUWPD-NSHDSACASA-N -1 3 374.343 2.918 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2noc(-c3ccc(F)cc3F)n2)c1 ZINC000811184289 995052516 /nfs/dbraw/zinc/05/25/16/995052516.db2.gz LSQWSCLWNAZRST-UHFFFAOYSA-N -1 3 357.272 2.949 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCCN(c3cccc(F)c3)C2=O)c1 ZINC000811187462 995054016 /nfs/dbraw/zinc/05/40/16/995054016.db2.gz RQVBRXCGCSHSRJ-KRWDZBQOSA-N -1 3 354.337 2.755 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000730996014 997609233 /nfs/dbraw/zinc/60/92/33/997609233.db2.gz HMESYKGXDWGSTO-UHFFFAOYSA-N -1 3 370.430 2.774 20 30 FFEDHM COc1cc(C#N)ccc1OCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001599350121 998079115 /nfs/dbraw/zinc/07/91/15/998079115.db2.gz DHCJTAGBVNCHNF-QGZVFWFLSA-N -1 3 352.390 2.630 20 30 FFEDHM CCc1noc(CCCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)n1 ZINC000845837697 998670012 /nfs/dbraw/zinc/67/00/12/998670012.db2.gz ITHZERLFKIGLPC-HNNXBMFYSA-N -1 3 351.406 2.964 20 30 FFEDHM CC[C@H](C#N)Oc1cc(C/N=C\c2c([O-])c(C)ncc2CO)ccc1OC ZINC000733205484 998914811 /nfs/dbraw/zinc/91/48/11/998914811.db2.gz XLHJJGKIHPWHSJ-OLIBUNOHSA-N -1 3 369.421 2.897 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)nc2)cc1 ZINC000734080299 999197265 /nfs/dbraw/zinc/19/72/65/999197265.db2.gz NXTJVGIHTBHYQE-MRXNPFEDSA-N -1 3 352.394 2.789 20 30 FFEDHM CCCn1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cn1 ZINC000734978096 999377161 /nfs/dbraw/zinc/37/71/61/999377161.db2.gz SIZUBRUDSNKWBV-HNNXBMFYSA-N -1 3 370.438 2.568 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)c1ccc(C#N)cc1 ZINC000740217569 999664378 /nfs/dbraw/zinc/66/43/78/999664378.db2.gz KCAJAOPAYJEAGF-KRWDZBQOSA-N -1 3 365.345 2.921 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)c1ccc(C#N)cc1 ZINC000740217569 999664382 /nfs/dbraw/zinc/66/43/82/999664382.db2.gz KCAJAOPAYJEAGF-KRWDZBQOSA-N -1 3 365.345 2.921 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(N3CCCCC3)n2)c1 ZINC000740528942 999675519 /nfs/dbraw/zinc/67/55/19/999675519.db2.gz CVARFWIVUHHUPQ-MRXNPFEDSA-N -1 3 363.421 2.737 20 30 FFEDHM Cc1cccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000742464431 999774989 /nfs/dbraw/zinc/77/49/89/999774989.db2.gz GETYKVJZEZYFHL-CYBMUJFWSA-N -1 3 371.462 2.759 20 30 FFEDHM CSc1nc(C2CC2)cc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c1C#N ZINC001168931175 1000012191 /nfs/dbraw/zinc/01/21/91/1000012191.db2.gz PTCOPRIXOXIYMO-UHFFFAOYSA-N -1 3 367.434 2.513 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169539359 1000057570 /nfs/dbraw/zinc/05/75/70/1000057570.db2.gz IJTDBNLBFVGKPY-RDTXWAMCSA-N -1 3 364.449 2.608 20 30 FFEDHM CCc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1[O-] ZINC000769956641 1000634429 /nfs/dbraw/zinc/63/44/29/1000634429.db2.gz CDONGXHUXOKFCJ-CQSZACIVSA-N -1 3 359.426 2.540 20 30 FFEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772179604 1001312176 /nfs/dbraw/zinc/31/21/76/1001312176.db2.gz VRNYLBLNPJLBHQ-QGZVFWFLSA-N -1 3 353.334 2.509 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncc(C(F)(F)F)cc1Br ZINC001171364799 1001735136 /nfs/dbraw/zinc/73/51/36/1001735136.db2.gz ABFSGBJYZIHWFX-XNCJUZBTSA-N -1 3 354.126 2.511 20 30 FFEDHM N#C[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ncc([O-])cc1Br ZINC001183604894 1002329202 /nfs/dbraw/zinc/32/92/02/1002329202.db2.gz CYKFYQKSBRWORL-SNVBAGLBSA-N -1 3 362.183 2.576 20 30 FFEDHM CCCCCCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185584210 1002997640 /nfs/dbraw/zinc/99/76/40/1002997640.db2.gz RVKNXHTURYAKFZ-UHFFFAOYSA-N -1 3 351.476 2.848 20 30 FFEDHM CCCCCCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185584210 1002997652 /nfs/dbraw/zinc/99/76/52/1002997652.db2.gz RVKNXHTURYAKFZ-UHFFFAOYSA-N -1 3 351.476 2.848 20 30 FFEDHM N#Cc1cccc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1F ZINC000774917598 1003036451 /nfs/dbraw/zinc/03/64/51/1003036451.db2.gz GTLFEAVDFIUISI-MRXNPFEDSA-N -1 3 368.364 2.751 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3-c3nnn[n-]3)no2)c1 ZINC001196767267 1003941776 /nfs/dbraw/zinc/94/17/76/1003941776.db2.gz BDVAMXRPTNUFQJ-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3-c3nn[n-]n3)no2)c1 ZINC001196767267 1003941786 /nfs/dbraw/zinc/94/17/86/1003941786.db2.gz BDVAMXRPTNUFQJ-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C#N)c2)c(C)c1 ZINC001198941615 1004786972 /nfs/dbraw/zinc/78/69/72/1004786972.db2.gz GTYUFZNMWVUIRI-UHFFFAOYSA-N -1 3 359.407 2.635 20 30 FFEDHM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1ccccc1 ZINC001195014504 1004859204 /nfs/dbraw/zinc/85/92/04/1004859204.db2.gz OWEJVCZCVMRBRV-IBGZPJMESA-N -1 3 372.446 2.624 20 30 FFEDHM Cn1ccnc1COc1ccc(COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776274088 1005340736 /nfs/dbraw/zinc/34/07/36/1005340736.db2.gz LYYLBNCQBYBKMW-UHFFFAOYSA-N -1 3 363.373 2.933 20 30 FFEDHM N#Cc1cc(NC(=O)c2[n-]nnc2C(F)(F)F)ccc1N1CCCCC1 ZINC001187766298 1006240735 /nfs/dbraw/zinc/24/07/35/1006240735.db2.gz OVJUEOFQWKEQEH-UHFFFAOYSA-N -1 3 364.331 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)c2nn[n-]c2C(F)(F)F)ccc1N1CCCCC1 ZINC001187766298 1006240743 /nfs/dbraw/zinc/24/07/43/1006240743.db2.gz OVJUEOFQWKEQEH-UHFFFAOYSA-N -1 3 364.331 2.938 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccoc2)c(I)c1 ZINC001188610511 1006627834 /nfs/dbraw/zinc/62/78/34/1006627834.db2.gz OJSXZPTVCZMONL-UHFFFAOYSA-N -1 3 374.159 2.557 20 30 FFEDHM N#Cc1ccc(-c2ccc(C(=O)NCCCc3c[n-][nH]c3=O)cc2)cc1F ZINC001188709396 1006685683 /nfs/dbraw/zinc/68/56/83/1006685683.db2.gz ANWBDKUEAKRRFF-KRWDZBQOSA-N -1 3 364.380 2.606 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc(F)c(F)c(C(F)(F)F)c1 ZINC001189358337 1007053430 /nfs/dbraw/zinc/05/34/30/1007053430.db2.gz XSFMIWKYODOCPU-UHFFFAOYSA-N -1 3 374.225 2.919 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000855716849 1007517924 /nfs/dbraw/zinc/51/79/24/1007517924.db2.gz UMGMURUASQVQGQ-ZWKOTPCHSA-N -1 3 351.406 2.503 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2Br)c1 ZINC001190661301 1007722882 /nfs/dbraw/zinc/72/28/82/1007722882.db2.gz RUNYLGBUBWAKHL-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM C=CCCn1cc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)nn1 ZINC000819944305 1008261789 /nfs/dbraw/zinc/26/17/89/1008261789.db2.gz LYZRGMLOHRVFTC-INIZCTEOSA-N -1 3 365.437 2.940 20 30 FFEDHM N#CC1(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CCCC1 ZINC001136685915 1008962312 /nfs/dbraw/zinc/96/23/12/1008962312.db2.gz MZZGVSIOJPDRTI-UHFFFAOYSA-N -1 3 365.311 2.993 20 30 FFEDHM N#Cc1cc(NC(=O)[C@]2(F)C[C@H]2C(=O)OCc2ccccc2)ccc1[O-] ZINC001178862910 1009176438 /nfs/dbraw/zinc/17/64/38/1009176438.db2.gz LIJXFSBARLPKCV-KXBFYZLASA-N -1 3 354.337 2.674 20 30 FFEDHM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001274149984 1009460461 /nfs/dbraw/zinc/46/04/61/1009460461.db2.gz KGNZVECFUAGLCY-IAGOWNOFSA-N -1 3 354.450 2.528 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cn1 ZINC000774054262 1010443403 /nfs/dbraw/zinc/44/34/03/1010443403.db2.gz RHDXNLXLLZVSLR-CQSZACIVSA-N -1 3 353.378 2.839 20 30 FFEDHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)CCc1cccc(C#N)c1 ZINC001182340347 1010516470 /nfs/dbraw/zinc/51/64/70/1010516470.db2.gz KYIUOBUJRFXLCP-INIZCTEOSA-N -1 3 371.437 2.533 20 30 FFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CCc1cccc(C#N)c1 ZINC001182340347 1010516479 /nfs/dbraw/zinc/51/64/79/1010516479.db2.gz KYIUOBUJRFXLCP-INIZCTEOSA-N -1 3 371.437 2.533 20 30 FFEDHM CCc1onc(C)c1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000901143841 1018769130 /nfs/dbraw/zinc/76/91/30/1018769130.db2.gz MIFRBUJDEHKDFI-OAHLLOKOSA-N -1 3 371.422 2.820 20 30 FFEDHM N#Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)c3ccccc3[O-])C2)c(F)c1 ZINC001047161097 1019002661 /nfs/dbraw/zinc/00/26/61/1019002661.db2.gz NABMWPXBSPAJGF-GXTWGEPZSA-N -1 3 354.385 2.809 20 30 FFEDHM Cc1c(CC(=O)N([O-])Cc2ccc(F)cc2)nnn1-c1ccc(C)cc1 ZINC000901374971 1019017307 /nfs/dbraw/zinc/01/73/07/1019017307.db2.gz YSTKETPKNSOSSG-UHFFFAOYSA-N -1 3 354.385 2.984 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000778016845 1020542282 /nfs/dbraw/zinc/54/22/82/1020542282.db2.gz MEEWKBFVAVURAA-IAQYHMDHSA-N -1 3 372.343 2.719 20 30 FFEDHM CCc1cc2c(CN3CCC4(CC3)CC(=O)C=CO4)cc(=O)oc2cc1[O-] ZINC000933650378 1021058675 /nfs/dbraw/zinc/05/86/75/1021058675.db2.gz PQLFZBQYCPCTBD-UHFFFAOYSA-N -1 3 369.417 2.899 20 30 FFEDHM C=C(C)C[C@@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001119001541 1022519542 /nfs/dbraw/zinc/51/95/42/1022519542.db2.gz ROTJZISKHYZGTE-LLVKDONJSA-N -1 3 363.170 2.939 20 30 FFEDHM CC(C)c1ccoc1-c1noc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000752922099 1023224568 /nfs/dbraw/zinc/22/45/68/1023224568.db2.gz VZRHCNCWCSAJNL-UHFFFAOYSA-N -1 3 372.406 2.692 20 30 FFEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)nn1C ZINC001122502050 1023307390 /nfs/dbraw/zinc/30/73/90/1023307390.db2.gz CFPIBZAZNRKFTM-LBPRGKRZSA-N -1 3 360.801 2.606 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC2(CCCC2)OC[C@H]1C ZINC001122586349 1023353049 /nfs/dbraw/zinc/35/30/49/1023353049.db2.gz HXGJKKSBBBZOGZ-CYBMUJFWSA-N -1 3 359.430 2.753 20 30 FFEDHM C=CCC[C@H]1CCCN1c1nnc(-c2c[n-]oc2=O)n1C[C@H]1CCOC1 ZINC001123162002 1023663913 /nfs/dbraw/zinc/66/39/13/1023663913.db2.gz VUFMDBFQNCTSND-KGLIPLIRSA-N -1 3 359.430 2.610 20 30 FFEDHM CCOc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1 ZINC000756376124 1023702925 /nfs/dbraw/zinc/70/29/25/1023702925.db2.gz WCLGOFLCGVPJDX-UHFFFAOYSA-N -1 3 355.394 2.745 20 30 FFEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N(C)CCOC ZINC001121623317 1023886621 /nfs/dbraw/zinc/88/66/21/1023886621.db2.gz BDAUNXGKORYTAP-UHFFFAOYSA-N -1 3 350.850 2.691 20 30 FFEDHM C=CC[C@@H](C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)c1ccccc1 ZINC001123961384 1024181292 /nfs/dbraw/zinc/18/12/92/1024181292.db2.gz VOKITDYXIDTTIF-GOSISDBHSA-N -1 3 366.465 2.936 20 30 FFEDHM N#Cc1cc(F)cc(C2(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)CC2)c1 ZINC000837723544 1025986989 /nfs/dbraw/zinc/98/69/89/1025986989.db2.gz HZMKPYQWIZCLIJ-UHFFFAOYSA-N -1 3 353.353 2.845 20 30 FFEDHM N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC001141464168 1026351620 /nfs/dbraw/zinc/35/16/20/1026351620.db2.gz ZASDKLSCJLSEKW-MRXNPFEDSA-N -1 3 369.352 2.600 20 30 FFEDHM O=C(c1ccc2c(=O)[nH][n-]c(=O)c2c1)N1CCC(C#Cc2ccccc2)CC1 ZINC001154315733 1028237959 /nfs/dbraw/zinc/23/79/59/1028237959.db2.gz CRQWWNQCBLJUMZ-UHFFFAOYSA-N -1 3 373.412 2.945 20 30 FFEDHM O=C(c1ccc2c(=O)[n-][nH]c(=O)c2c1)N1CCC(C#Cc2ccccc2)CC1 ZINC001154315733 1028237973 /nfs/dbraw/zinc/23/79/73/1028237973.db2.gz CRQWWNQCBLJUMZ-UHFFFAOYSA-N -1 3 373.412 2.945 20 30 FFEDHM COC(=O)c1cnc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001161785435 1028312800 /nfs/dbraw/zinc/31/28/00/1028312800.db2.gz VMQXXVCDRNHXGR-UHFFFAOYSA-N -1 3 356.165 2.602 20 30 FFEDHM O=C1COc2ccnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)c2N1 ZINC001155909157 1028971833 /nfs/dbraw/zinc/97/18/33/1028971833.db2.gz JFKMPRJAGPRIEC-UHFFFAOYSA-N -1 3 368.271 2.559 20 30 FFEDHM [O-]N=C(Nc1cnc(N2CCC2)nc1)c1ccc(OC(F)(F)F)cc1 ZINC001163765619 1029054063 /nfs/dbraw/zinc/05/40/63/1029054063.db2.gz IWTNMEHXSOLLSY-UHFFFAOYSA-N -1 3 353.304 2.833 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC001142296326 1030281341 /nfs/dbraw/zinc/28/13/41/1030281341.db2.gz MQJZCVOFOSLFQU-IBGZPJMESA-N -1 3 371.481 2.872 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C(=O)C=Cc2ccc(F)cc2)[n-]n1 ZINC001142905681 1031030659 /nfs/dbraw/zinc/03/06/59/1031030659.db2.gz MKURVPUVBNVZQG-TWGQIWQCSA-N -1 3 359.357 2.725 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C(=O)C=Cc2ccc(F)cc2)n[n-]1 ZINC001142905681 1031030678 /nfs/dbraw/zinc/03/06/78/1031030678.db2.gz MKURVPUVBNVZQG-TWGQIWQCSA-N -1 3 359.357 2.725 20 30 FFEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000797549752 1031150416 /nfs/dbraw/zinc/15/04/16/1031150416.db2.gz RLPGUJUACVPQQR-OAHLLOKOSA-N -1 3 353.378 2.505 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn2ccccc12 ZINC001116000031 1032055846 /nfs/dbraw/zinc/05/58/46/1032055846.db2.gz IGZVBLNIVHTJQU-UHFFFAOYSA-N -1 3 365.418 2.688 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC001225470646 1034267318 /nfs/dbraw/zinc/26/73/18/1034267318.db2.gz XWIVSLVGUMUDRB-DNVCBOLYSA-N -1 3 353.422 2.636 20 30 FFEDHM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001225679327 1034364724 /nfs/dbraw/zinc/36/47/24/1034364724.db2.gz NNIHKXHEFFLLPP-KRWDZBQOSA-N -1 3 352.390 2.825 20 30 FFEDHM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1c([O-])cccc1Cl ZINC001140338473 1035443573 /nfs/dbraw/zinc/44/35/73/1035443573.db2.gz JRCRGVWGZDOKQY-INIZCTEOSA-N -1 3 362.861 2.959 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](COc3cc(C#N)ccc3[O-])[C@H]2C1 ZINC001227344644 1035513704 /nfs/dbraw/zinc/51/37/04/1035513704.db2.gz BRNFETXMWDMSLA-CKEIUWERSA-N -1 3 360.410 2.525 20 30 FFEDHM COC(=O)C1=C[C@H](Oc2cc(C#N)ccc2[O-])CN(Cc2ccccc2)C1 ZINC001227349577 1035514709 /nfs/dbraw/zinc/51/47/09/1035514709.db2.gz HRINPDLUEADDPG-SFHVURJKSA-N -1 3 364.401 2.626 20 30 FFEDHM CO[C@H](CN1CCN(Cc2cc(C#N)ccc2[O-])CC1)c1ccccc1 ZINC001232678150 1035936880 /nfs/dbraw/zinc/93/68/80/1035936880.db2.gz QBKUCLDTOMRUCI-OAQYLSRUSA-N -1 3 351.450 2.769 20 30 FFEDHM CC(C)n1nc(CN(C)C)c2c1CN(Cc1ccc(C#N)cc1[O-])CC2 ZINC001233383977 1036581916 /nfs/dbraw/zinc/58/19/16/1036581916.db2.gz CECUYLOQCRNTAG-UHFFFAOYSA-N -1 3 353.470 2.661 20 30 FFEDHM N#Cc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)c([O-])c1 ZINC001233385692 1036584787 /nfs/dbraw/zinc/58/47/87/1036584787.db2.gz QJXMFKBDDMEZDX-UHFFFAOYSA-N -1 3 352.438 2.793 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2nc(=S)[n-]c3sccc32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001229565000 1036749368 /nfs/dbraw/zinc/74/93/68/1036749368.db2.gz DPOUAPQSHVHYPJ-AVWBDOJWSA-N -1 3 352.437 2.790 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001233802054 1036770138 /nfs/dbraw/zinc/77/01/38/1036770138.db2.gz GHDOXFKTAXSVOW-AGKWGAAGSA-N -1 3 356.422 2.783 20 30 FFEDHM C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277833284 1036932658 /nfs/dbraw/zinc/93/26/58/1036932658.db2.gz HDJHNFQREBGUIP-LJQANCHMSA-N -1 3 362.857 2.644 20 30 FFEDHM C[C@@H]1[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CN1C(=O)OC(C)(C)C ZINC001234512893 1037068709 /nfs/dbraw/zinc/06/87/09/1037068709.db2.gz GNIHGCBADVQEQV-ZWNOBZJWSA-N -1 3 356.382 2.594 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2[n-]c(=O)ncc2-c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001230971300 1037425526 /nfs/dbraw/zinc/42/55/26/1037425526.db2.gz FXLDQPLDCVYVIW-JKQORVJESA-N -1 3 356.378 2.659 20 30 FFEDHM C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(OC)c(C(=O)[O-])c1)C2 ZINC001231749896 1037876812 /nfs/dbraw/zinc/87/68/12/1037876812.db2.gz CAGHTZZXUFBRKY-OAQYLSRUSA-N -1 3 372.465 2.927 20 30 FFEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256526941 1038545317 /nfs/dbraw/zinc/54/53/17/1038545317.db2.gz GHMRDPCMEQEBMC-JTQLQIEISA-N -1 3 351.877 2.824 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OCC#N)c2)c(F)c1F ZINC001209594242 1039032918 /nfs/dbraw/zinc/03/29/18/1039032918.db2.gz LFIDERKJXOLTPU-UHFFFAOYSA-N -1 3 352.362 2.654 20 30 FFEDHM COc1cc([N-]S(=O)(=O)c2ccccc2C#N)c(Br)cn1 ZINC001258201866 1039265432 /nfs/dbraw/zinc/26/54/32/1039265432.db2.gz ONNDJCUYGXCBNV-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001258304436 1039306620 /nfs/dbraw/zinc/30/66/20/1039306620.db2.gz AXPOXLDPYJJISQ-UHFFFAOYSA-N -1 3 373.821 2.944 20 30 FFEDHM CS(=O)(=O)c1ccc(-n2ncc(C#N)c2Nc2cccc(F)c2[O-])cc1 ZINC001210196382 1039425421 /nfs/dbraw/zinc/42/54/21/1039425421.db2.gz DGYFUDDKNSXJJU-UHFFFAOYSA-N -1 3 372.381 2.736 20 30 FFEDHM C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OCC ZINC001258897426 1039570375 /nfs/dbraw/zinc/57/03/75/1039570375.db2.gz KLGGUZFZPYXRST-OTYXRUKQSA-N -1 3 364.250 2.780 20 30 FFEDHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2F)cc1 ZINC001259323832 1039911654 /nfs/dbraw/zinc/91/16/54/1039911654.db2.gz YWWSAAJGSHBPFI-UHFFFAOYSA-N -1 3 362.382 2.604 20 30 FFEDHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412636 1039984314 /nfs/dbraw/zinc/98/43/14/1039984314.db2.gz NWMKBQSKIBSCFM-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM COc1ccc(OCCCS(=O)(=O)[N-]c2cc(F)cc(C#N)c2)cc1 ZINC001259646708 1040134185 /nfs/dbraw/zinc/13/41/85/1040134185.db2.gz ASXJXTBTOKASJO-UHFFFAOYSA-N -1 3 364.398 2.917 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(=O)OCC ZINC001213383454 1040496622 /nfs/dbraw/zinc/49/66/22/1040496622.db2.gz QKCZXLVAGGDBEM-QIAWRQBBSA-N -1 3 361.822 2.790 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)cc1F ZINC001260663128 1040707137 /nfs/dbraw/zinc/70/71/37/1040707137.db2.gz OHLQAVLBPGTZCM-UHFFFAOYSA-N -1 3 360.288 2.924 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccccc1C ZINC001262988612 1042012709 /nfs/dbraw/zinc/01/27/09/1042012709.db2.gz WNTOIFAHYQBLRW-UHFFFAOYSA-N -1 3 350.426 2.880 20 30 FFEDHM C#CC[C@@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2Cc2ccccc2)C1 ZINC001263134319 1042124574 /nfs/dbraw/zinc/12/45/74/1042124574.db2.gz QLBVGFPUJYMRMF-OAHLLOKOSA-N -1 3 363.421 2.927 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001263288447 1042223642 /nfs/dbraw/zinc/22/36/42/1042223642.db2.gz SKMDMTBXHKMZCY-UWVGGRQHSA-N -1 3 353.883 2.623 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001263288447 1042223645 /nfs/dbraw/zinc/22/36/45/1042223645.db2.gz SKMDMTBXHKMZCY-UWVGGRQHSA-N -1 3 353.883 2.623 20 30 FFEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cn2)C[C@@H](C)O1 ZINC001263379122 1042270973 /nfs/dbraw/zinc/27/09/73/1042270973.db2.gz DDDHMTUHOOONBX-NFAWXSAZSA-N -1 3 354.385 2.719 20 30 FFEDHM N#Cc1cc(Cl)cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC001237752969 1043341554 /nfs/dbraw/zinc/34/15/54/1043341554.db2.gz CPJRYLKRCKVXPQ-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)OCC ZINC001309506756 1043413301 /nfs/dbraw/zinc/41/33/01/1043413301.db2.gz HCSHGLHYIWZTDJ-SNVBAGLBSA-N -1 3 351.877 2.886 20 30 FFEDHM COc1ccc(F)c(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC001309706952 1043489834 /nfs/dbraw/zinc/48/98/34/1043489834.db2.gz XBXDPUFKTQGEEK-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C2CC2)c1 ZINC001311282108 1043870302 /nfs/dbraw/zinc/87/03/02/1043870302.db2.gz JBYHVVRGFZPERP-UHFFFAOYSA-N -1 3 350.304 2.894 20 30 FFEDHM N#Cc1nc(-c2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)nc1C#N ZINC001241442685 1044516277 /nfs/dbraw/zinc/51/62/77/1044516277.db2.gz CEWBIVTUFITVJI-UHFFFAOYSA-N -1 3 350.345 2.734 20 30 FFEDHM N#Cc1nc(-c2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)nc1C#N ZINC001241442685 1044516295 /nfs/dbraw/zinc/51/62/95/1044516295.db2.gz CEWBIVTUFITVJI-UHFFFAOYSA-N -1 3 350.345 2.734 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001321019129 1045513703 /nfs/dbraw/zinc/51/37/03/1045513703.db2.gz JRTOXYHDTUDTQF-GFCCVEGCSA-N -1 3 363.252 2.946 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001290493280 1048166667 /nfs/dbraw/zinc/16/66/67/1048166667.db2.gz NDDRNYHAIDJRAJ-CVEARBPZSA-N -1 3 356.466 2.915 20 30 FFEDHM O=C(CC1(C(F)(F)F)CC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001332005740 1048207198 /nfs/dbraw/zinc/20/71/98/1048207198.db2.gz AUKDYGAXLSEFTI-UHFFFAOYSA-N -1 3 370.327 2.623 20 30 FFEDHM C#CCn1cc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])cn1 ZINC001297370173 1050148875 /nfs/dbraw/zinc/14/88/75/1050148875.db2.gz STCNGMXUVXKJDO-UHFFFAOYSA-N -1 3 359.429 2.937 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001339868855 1050286376 /nfs/dbraw/zinc/28/63/76/1050286376.db2.gz ZXWSGYGHLSCYHD-UHFFFAOYSA-N -1 3 361.759 2.681 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001339868855 1050286386 /nfs/dbraw/zinc/28/63/86/1050286386.db2.gz ZXWSGYGHLSCYHD-UHFFFAOYSA-N -1 3 361.759 2.681 20 30 FFEDHM C#CCN1CCC[C@H](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC001303559305 1051386638 /nfs/dbraw/zinc/38/66/38/1051386638.db2.gz YTUQMRKYLPPPJB-HNNXBMFYSA-N -1 3 373.453 2.567 20 30 FFEDHM C=C[C@@H](COC)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001342779593 1051391650 /nfs/dbraw/zinc/39/16/50/1051391650.db2.gz YDNYXCKHXORFHD-PKOBYXMFSA-N -1 3 368.433 2.571 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001343314814 1052156317 /nfs/dbraw/zinc/15/63/17/1052156317.db2.gz HQQLFCOPTWPXAG-GFCCVEGCSA-N -1 3 365.869 2.687 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001343314814 1052156320 /nfs/dbraw/zinc/15/63/20/1052156320.db2.gz HQQLFCOPTWPXAG-GFCCVEGCSA-N -1 3 365.869 2.687 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2sccc2C1 ZINC001345974327 1052691103 /nfs/dbraw/zinc/69/11/03/1052691103.db2.gz RGBVRRRYTSRGNN-UHFFFAOYSA-N -1 3 368.466 2.949 20 30 FFEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(F)n1 ZINC001344587464 1052846886 /nfs/dbraw/zinc/84/68/86/1052846886.db2.gz RFTHPJLPFBCKFP-NSHDSACASA-N -1 3 354.309 2.707 20 30 FFEDHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cnn1C ZINC001334814442 1053092184 /nfs/dbraw/zinc/09/21/84/1053092184.db2.gz CBPISDFCWXWYEA-SNVBAGLBSA-N -1 3 360.464 2.854 20 30 FFEDHM N#Cc1ccc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1Br ZINC001336740528 1054183422 /nfs/dbraw/zinc/18/34/22/1054183422.db2.gz QZIZHOFYIPOHKA-GFCCVEGCSA-N -1 3 360.215 2.507 20 30 FFEDHM N#Cc1cccc2c1CN(c1nnc(-c3nnc(Cl)[n-]3)n1CC1CC1)C2 ZINC001347788748 1054321094 /nfs/dbraw/zinc/32/10/94/1054321094.db2.gz NBCKFGCTYAXLSH-UHFFFAOYSA-N -1 3 366.816 2.518 20 30 FFEDHM N#Cc1cccc2c1CN(c1nnc(-c3n[n-]c(Cl)n3)n1CC1CC1)C2 ZINC001347788748 1054321107 /nfs/dbraw/zinc/32/11/07/1054321107.db2.gz NBCKFGCTYAXLSH-UHFFFAOYSA-N -1 3 366.816 2.518 20 30 FFEDHM COc1cccc(F)c1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001351833802 1055023283 /nfs/dbraw/zinc/02/32/83/1055023283.db2.gz JJPIORZJOLDTIP-UHFFFAOYSA-N -1 3 357.385 2.672 20 30 FFEDHM CCn1c(-c2c[n-]c3c(F)c(F)ccc3c2=O)nnc1N(C)[C@@H](C)CC#N ZINC001356264505 1055423761 /nfs/dbraw/zinc/42/37/61/1055423761.db2.gz FVQQGBACKYJKCY-JTQLQIEISA-N -1 3 372.379 2.823 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)ccc2=O)cc1 ZINC001356277063 1055430728 /nfs/dbraw/zinc/43/07/28/1055430728.db2.gz VGOQFEVOWXGAID-BBRMVZONSA-N -1 3 351.406 2.860 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)ccc2=O)cc1 ZINC001356277067 1055431948 /nfs/dbraw/zinc/43/19/48/1055431948.db2.gz VGOQFEVOWXGAID-CZUORRHYSA-N -1 3 351.406 2.860 20 30 FFEDHM C=CCO[C@@H]1CCN(c2nnc(CCc3cccc(Cl)c3[O-])n2C)C1 ZINC001350329375 1055726985 /nfs/dbraw/zinc/72/69/85/1055726985.db2.gz IURRJHDCSQDKOX-CQSZACIVSA-N -1 3 362.861 2.741 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2cccs2)C1 ZINC001518606076 1058437319 /nfs/dbraw/zinc/43/73/19/1058437319.db2.gz FYXIRFPRELSAKC-NSHDSACASA-N -1 3 373.873 2.676 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2cccs2)C1 ZINC001518606076 1058437325 /nfs/dbraw/zinc/43/73/25/1058437325.db2.gz FYXIRFPRELSAKC-NSHDSACASA-N -1 3 373.873 2.676 20 30 FFEDHM C#CCC1(O)CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC001354257344 1058775861 /nfs/dbraw/zinc/77/58/61/1058775861.db2.gz OLHJYROVFLRKDC-UHFFFAOYSA-N -1 3 370.474 2.842 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(C)(COC)CC1 ZINC001515006420 1059216218 /nfs/dbraw/zinc/21/62/18/1059216218.db2.gz ZRSQVQMRWZBLKA-UHFFFAOYSA-N -1 3 372.473 2.578 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(F)(C2CC2)CC1 ZINC001515556905 1059701020 /nfs/dbraw/zinc/70/10/20/1059701020.db2.gz XSCNLWFTOKHSSW-UHFFFAOYSA-N -1 3 358.421 2.735 20 30 FFEDHM C#CCN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C(C)C ZINC001456090414 1060010874 /nfs/dbraw/zinc/01/08/74/1060010874.db2.gz XMCDSHSBEVDRBX-UHFFFAOYSA-N -1 3 352.312 2.911 20 30 FFEDHM CCCCN([O-])C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1OC ZINC001458022953 1060492436 /nfs/dbraw/zinc/49/24/36/1060492436.db2.gz JQBUYMAZOUEXAW-AWEZNQCLSA-N -1 3 354.834 2.971 20 30 FFEDHM N#Cc1cc(F)cc(S(=O)(=O)[N-]Cc2cnccc2C(F)(F)F)c1 ZINC001475516330 1061121579 /nfs/dbraw/zinc/12/15/79/1061121579.db2.gz DIPLYHQHXHKSIQ-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1occc1Br)c1ccc(C#N)cc1 ZINC001462928459 1061849238 /nfs/dbraw/zinc/84/92/38/1061849238.db2.gz PAQGIHKXYBLKCS-SECBINFHSA-N -1 3 355.213 2.953 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC001463811921 1062273704 /nfs/dbraw/zinc/27/37/04/1062273704.db2.gz RWHADZGJOBKUCG-GFCCVEGCSA-N -1 3 364.345 2.940 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)OC ZINC001464254020 1062507006 /nfs/dbraw/zinc/50/70/06/1062507006.db2.gz FDZXQENCVQSGQA-LLVKDONJSA-N -1 3 369.336 2.631 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cccn2)cc1)c1nc(N)c2ccccc2n1 ZINC001524677565 1062948194 /nfs/dbraw/zinc/94/81/94/1062948194.db2.gz JHGOVTHHJXFELI-MRXNPFEDSA-N -1 3 354.373 2.888 20 30 FFEDHM Cc1cc(Cl)nc(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)c1 ZINC001472619032 1065112808 /nfs/dbraw/zinc/11/28/08/1065112808.db2.gz SVEBUCFBLSZDAZ-UHFFFAOYSA-N -1 3 373.796 2.561 20 30 FFEDHM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)c(F)c1 ZINC001472635896 1065119844 /nfs/dbraw/zinc/11/98/44/1065119844.db2.gz QMVICIKBRGMJFT-UHFFFAOYSA-N -1 3 365.324 2.521 20 30 FFEDHM CCCCCCCCOCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001577504952 1078369803 /nfs/dbraw/zinc/36/98/03/1078369803.db2.gz GZQWQTOCNRPOEU-UHFFFAOYSA-N -1 3 364.425 2.904 20 30 FFEDHM CCCCCCCCOCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001577504952 1078369807 /nfs/dbraw/zinc/36/98/07/1078369807.db2.gz GZQWQTOCNRPOEU-UHFFFAOYSA-N -1 3 364.425 2.904 20 30 FFEDHM COc1cc(C(=O)N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001579890253 1078709087 /nfs/dbraw/zinc/70/90/87/1078709087.db2.gz OIDWMXUFXHACLE-GFCCVEGCSA-N -1 3 362.393 2.580 20 30 FFEDHM COc1cc(C(=O)N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001579890253 1078709089 /nfs/dbraw/zinc/70/90/89/1078709089.db2.gz OIDWMXUFXHACLE-GFCCVEGCSA-N -1 3 362.393 2.580 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC001579967155 1078724939 /nfs/dbraw/zinc/72/49/39/1078724939.db2.gz PBEOZKSYKUAABS-OAHLLOKOSA-N -1 3 362.393 2.586 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC001579967155 1078724942 /nfs/dbraw/zinc/72/49/42/1078724942.db2.gz PBEOZKSYKUAABS-OAHLLOKOSA-N -1 3 362.393 2.586 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(-c3nnn[n-]3)cn2)o1 ZINC001581870441 1079011558 /nfs/dbraw/zinc/01/15/58/1079011558.db2.gz BAXCBVPARAETRO-UHFFFAOYSA-N -1 3 371.360 2.573 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(-c3nn[n-]n3)cn2)o1 ZINC001581870441 1079011565 /nfs/dbraw/zinc/01/15/65/1079011565.db2.gz BAXCBVPARAETRO-UHFFFAOYSA-N -1 3 371.360 2.573 20 30 FFEDHM N#Cc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1Br ZINC001581875516 1079012237 /nfs/dbraw/zinc/01/22/37/1079012237.db2.gz BJBBQESQQAGIAB-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1Br ZINC001581875516 1079012245 /nfs/dbraw/zinc/01/22/45/1079012245.db2.gz BJBBQESQQAGIAB-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1cccc(OCCOc2c(Cl)cc(F)cc2-c2nnn[n-]2)c1 ZINC001581875706 1079013192 /nfs/dbraw/zinc/01/31/92/1079013192.db2.gz LQXZOLZNKJSXSV-UHFFFAOYSA-N -1 3 359.748 2.989 20 30 FFEDHM N#Cc1cccc(OCCOc2c(Cl)cc(F)cc2-c2nn[n-]n2)c1 ZINC001581875706 1079013200 /nfs/dbraw/zinc/01/32/00/1079013200.db2.gz LQXZOLZNKJSXSV-UHFFFAOYSA-N -1 3 359.748 2.989 20 30 FFEDHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCc1ccccc1 ZINC001583124828 1079168492 /nfs/dbraw/zinc/16/84/92/1079168492.db2.gz IYOULBMKDQZUKW-ZDUSSCGKSA-N -1 3 358.344 2.898 20 30 FFEDHM COc1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c([O-])c1 ZINC001556162867 1075710456 /nfs/dbraw/zinc/71/04/56/1075710456.db2.gz HSHWWIDPUHYUMP-UHFFFAOYSA-N -1 3 362.389 2.603 20 30 FFEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001561520599 1076387769 /nfs/dbraw/zinc/38/77/69/1076387769.db2.gz VCQRQANXPRSVOP-VIFPVBQESA-N -1 3 368.680 2.626 20 30 FFEDHM Cc1cc(C[N-]S(=O)(=O)c2cccnc2C#N)c(C)n1-c1ccccc1 ZINC001561819715 1076428497 /nfs/dbraw/zinc/42/84/97/1076428497.db2.gz GLOLEJFQJVKYGA-UHFFFAOYSA-N -1 3 366.446 2.839 20 30 FFEDHM C#C[C@H](CCC)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001568602756 1077102633 /nfs/dbraw/zinc/10/26/33/1077102633.db2.gz WWWLNNIYXUDFFG-SNVBAGLBSA-N -1 3 352.312 2.958 20 30 FFEDHM N#Cc1ccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1F ZINC001570340321 1077200208 /nfs/dbraw/zinc/20/02/08/1077200208.db2.gz VPXIEEYIHANZSF-UHFFFAOYSA-N -1 3 357.291 2.747 20 30 FFEDHM C=C(Br)COc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001588391775 1080002364 /nfs/dbraw/zinc/00/23/64/1080002364.db2.gz PIJWYLCFYBATDX-UHFFFAOYSA-N -1 3 360.009 2.917 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588325766 1079983599 /nfs/dbraw/zinc/98/35/99/1079983599.db2.gz VFQLETBHKYCAIP-CQSZACIVSA-N -1 3 363.219 2.553 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588325766 1079983605 /nfs/dbraw/zinc/98/36/05/1079983605.db2.gz VFQLETBHKYCAIP-CQSZACIVSA-N -1 3 363.219 2.553 20 30 FFEDHM C#C[C@H](NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001588329447 1079984945 /nfs/dbraw/zinc/98/49/45/1079984945.db2.gz GKUHLXQTDFPDLR-RYUDHWBXSA-N -1 3 374.470 2.528 20 30 FFEDHM C#C[C@H](NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001588329447 1079984947 /nfs/dbraw/zinc/98/49/47/1079984947.db2.gz GKUHLXQTDFPDLR-RYUDHWBXSA-N -1 3 374.470 2.528 20 30 FFEDHM C#CCCCC(=O)N[C@H](C)CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588337696 1079990107 /nfs/dbraw/zinc/99/01/07/1079990107.db2.gz BAQVYJKXDKTPME-CYBMUJFWSA-N -1 3 358.421 2.506 20 30 FFEDHM C#CCCCC(=O)N[C@H](C)CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588337696 1079990111 /nfs/dbraw/zinc/99/01/11/1079990111.db2.gz BAQVYJKXDKTPME-CYBMUJFWSA-N -1 3 358.421 2.506 20 30 FFEDHM C#CCCCC(=O)N[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC001588339054 1079990926 /nfs/dbraw/zinc/99/09/26/1079990926.db2.gz UUTLVDFAVDAVMH-HNNXBMFYSA-N -1 3 372.448 2.752 20 30 FFEDHM C#CCCCC(=O)N[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC001588339054 1079990933 /nfs/dbraw/zinc/99/09/33/1079990933.db2.gz UUTLVDFAVDAVMH-HNNXBMFYSA-N -1 3 372.448 2.752 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588350573 1079991461 /nfs/dbraw/zinc/99/14/61/1079991461.db2.gz FQJQNOZVEPOTTQ-UHFFFAOYSA-N -1 3 366.356 2.549 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588350573 1079991465 /nfs/dbraw/zinc/99/14/65/1079991465.db2.gz FQJQNOZVEPOTTQ-UHFFFAOYSA-N -1 3 366.356 2.549 20 30 FFEDHM C#CCOc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1OCC ZINC001588362199 1079993314 /nfs/dbraw/zinc/99/33/14/1079993314.db2.gz VQUZGCCMMLAGDT-UHFFFAOYSA-N -1 3 362.393 2.723 20 30 FFEDHM C#CCOc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1OCC ZINC001588362199 1079993319 /nfs/dbraw/zinc/99/33/19/1079993319.db2.gz VQUZGCCMMLAGDT-UHFFFAOYSA-N -1 3 362.393 2.723 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@H](C)C[C@@H]2C ZINC001588362771 1079994125 /nfs/dbraw/zinc/99/41/25/1079994125.db2.gz SGSQQZXFPSWXLS-MNOVXSKESA-N -1 3 359.455 2.592 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@H](C)C[C@@H]2C ZINC001588362771 1079994128 /nfs/dbraw/zinc/99/41/28/1079994128.db2.gz SGSQQZXFPSWXLS-MNOVXSKESA-N -1 3 359.455 2.592 20 30 FFEDHM C=C(Br)COc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001588391775 1080002354 /nfs/dbraw/zinc/00/23/54/1080002354.db2.gz PIJWYLCFYBATDX-UHFFFAOYSA-N -1 3 360.009 2.917 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588391214 1080002685 /nfs/dbraw/zinc/00/26/85/1080002685.db2.gz FZKUFJIZFGTLCX-UHFFFAOYSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588391214 1080002692 /nfs/dbraw/zinc/00/26/92/1080002692.db2.gz FZKUFJIZFGTLCX-UHFFFAOYSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)OCC ZINC001588401268 1080010314 /nfs/dbraw/zinc/01/03/14/1080010314.db2.gz OIPCLHBPGZWOTA-LRDDRELGSA-N -1 3 370.457 2.696 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)OCC ZINC001588401268 1080010324 /nfs/dbraw/zinc/01/03/24/1080010324.db2.gz OIPCLHBPGZWOTA-LRDDRELGSA-N -1 3 370.457 2.696 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001588411365 1080013729 /nfs/dbraw/zinc/01/37/29/1080013729.db2.gz ADOKGXHCSSAWCD-CABCVRRESA-N -1 3 369.473 2.718 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001588411365 1080013741 /nfs/dbraw/zinc/01/37/41/1080013741.db2.gz ADOKGXHCSSAWCD-CABCVRRESA-N -1 3 369.473 2.718 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1C ZINC001588411369 1080014029 /nfs/dbraw/zinc/01/40/29/1080014029.db2.gz ADOKGXHCSSAWCD-GJZGRUSLSA-N -1 3 369.473 2.718 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1C ZINC001588411369 1080014038 /nfs/dbraw/zinc/01/40/38/1080014038.db2.gz ADOKGXHCSSAWCD-GJZGRUSLSA-N -1 3 369.473 2.718 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588411490 1080016392 /nfs/dbraw/zinc/01/63/92/1080016392.db2.gz DJQRMCJCCNRPTC-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588411490 1080016400 /nfs/dbraw/zinc/01/64/00/1080016400.db2.gz DJQRMCJCCNRPTC-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)Cn1c(CC(C)C)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588438731 1080028396 /nfs/dbraw/zinc/02/83/96/1080028396.db2.gz ZCXAXOGQLFNHIK-UHFFFAOYSA-N -1 3 364.457 2.753 20 30 FFEDHM C=C(C)Cn1c(CC(C)C)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588438731 1080028403 /nfs/dbraw/zinc/02/84/03/1080028403.db2.gz ZCXAXOGQLFNHIK-UHFFFAOYSA-N -1 3 364.457 2.753 20 30 FFEDHM C=C(C)Cn1c(CC2CC2)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588438725 1080028676 /nfs/dbraw/zinc/02/86/76/1080028676.db2.gz YZYNKMNQRLRHLN-UHFFFAOYSA-N -1 3 362.441 2.507 20 30 FFEDHM C=C(C)Cn1c(CC2CC2)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588438725 1080028686 /nfs/dbraw/zinc/02/86/86/1080028686.db2.gz YZYNKMNQRLRHLN-UHFFFAOYSA-N -1 3 362.441 2.507 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C)C1 ZINC001588455709 1080032347 /nfs/dbraw/zinc/03/23/47/1080032347.db2.gz SABJZEZDESRDLN-HNNXBMFYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C)C1 ZINC001588455709 1080032356 /nfs/dbraw/zinc/03/23/56/1080032356.db2.gz SABJZEZDESRDLN-HNNXBMFYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588475433 1080041509 /nfs/dbraw/zinc/04/15/09/1080041509.db2.gz ODJITCJTNLFRCX-KBPBESRZSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588475433 1080041516 /nfs/dbraw/zinc/04/15/16/1080041516.db2.gz ODJITCJTNLFRCX-KBPBESRZSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001588475892 1080043768 /nfs/dbraw/zinc/04/37/68/1080043768.db2.gz QENUGHLKAFAWCV-HNNXBMFYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001588475892 1080043774 /nfs/dbraw/zinc/04/37/74/1080043774.db2.gz QENUGHLKAFAWCV-HNNXBMFYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588492430 1080053279 /nfs/dbraw/zinc/05/32/79/1080053279.db2.gz RCWNIWQSHRGHFF-LIRRHRJNSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588492430 1080053287 /nfs/dbraw/zinc/05/32/87/1080053287.db2.gz RCWNIWQSHRGHFF-LIRRHRJNSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCCN(CC)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588493924 1080055463 /nfs/dbraw/zinc/05/54/63/1080055463.db2.gz MMBDDWJGYRQAHN-LJQANCHMSA-N -1 3 374.464 2.546 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCCN(CC)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588493924 1080055473 /nfs/dbraw/zinc/05/54/73/1080055473.db2.gz MMBDDWJGYRQAHN-LJQANCHMSA-N -1 3 374.464 2.546 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588494042 1080056644 /nfs/dbraw/zinc/05/66/44/1080056644.db2.gz OJZAPYGRLUIYSE-DJJJIMSYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588494042 1080056653 /nfs/dbraw/zinc/05/66/53/1080056653.db2.gz OJZAPYGRLUIYSE-DJJJIMSYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588521531 1080074885 /nfs/dbraw/zinc/07/48/85/1080074885.db2.gz PDMNHZXFFOLWJT-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588521531 1080074894 /nfs/dbraw/zinc/07/48/94/1080074894.db2.gz PDMNHZXFFOLWJT-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC1(CC(=O)NCCNc2nc(C)ccc2-c2nnn[n-]2)CCCCC1 ZINC001588527549 1080078216 /nfs/dbraw/zinc/07/82/16/1080078216.db2.gz OHQUHLLSPMOKIY-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=CC1(CC(=O)NCCNc2nc(C)ccc2-c2nn[n-]n2)CCCCC1 ZINC001588527549 1080078223 /nfs/dbraw/zinc/07/82/23/1080078223.db2.gz OHQUHLLSPMOKIY-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001588537938 1080086205 /nfs/dbraw/zinc/08/62/05/1080086205.db2.gz DHQKQDVWDJVLCB-OCCSQVGLSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001588537938 1080086215 /nfs/dbraw/zinc/08/62/15/1080086215.db2.gz DHQKQDVWDJVLCB-OCCSQVGLSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588537882 1080086498 /nfs/dbraw/zinc/08/64/98/1080086498.db2.gz BIDUVYQZEHYFPB-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588537882 1080086503 /nfs/dbraw/zinc/08/65/03/1080086503.db2.gz BIDUVYQZEHYFPB-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC[C@H](NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC001588545893 1080089001 /nfs/dbraw/zinc/08/90/01/1080089001.db2.gz QNYROPYIUBSZES-KDOFPFPSSA-N -1 3 362.437 2.874 20 30 FFEDHM C=CC[C@H](NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC001588545893 1080089010 /nfs/dbraw/zinc/08/90/10/1080089010.db2.gz QNYROPYIUBSZES-KDOFPFPSSA-N -1 3 362.437 2.874 20 30 FFEDHM C=CCC1(C(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588549175 1080090678 /nfs/dbraw/zinc/09/06/78/1080090678.db2.gz KPGKEUUMGAOGJV-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C=CCC1(C(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588549175 1080090688 /nfs/dbraw/zinc/09/06/88/1080090688.db2.gz KPGKEUUMGAOGJV-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C=CCC1(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)CCC1 ZINC001588549843 1080091459 /nfs/dbraw/zinc/09/14/59/1080091459.db2.gz ZRBCKKGCFSUVIO-ZDUSSCGKSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC1(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)CCC1 ZINC001588549843 1080091469 /nfs/dbraw/zinc/09/14/69/1080091469.db2.gz ZRBCKKGCFSUVIO-ZDUSSCGKSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC1(C(=O)N2CCO[C@@H](c3ccc(-c4nnn[n-]4)cc3)C2)CCC1 ZINC001588552222 1080092421 /nfs/dbraw/zinc/09/24/21/1080092421.db2.gz SKBHNIIOQHSXIM-MRXNPFEDSA-N -1 3 353.426 2.513 20 30 FFEDHM C=CCC1(C(=O)N2CCO[C@@H](c3ccc(-c4nn[n-]n4)cc3)C2)CCC1 ZINC001588552222 1080092426 /nfs/dbraw/zinc/09/24/26/1080092426.db2.gz SKBHNIIOQHSXIM-MRXNPFEDSA-N -1 3 353.426 2.513 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001588559169 1080095765 /nfs/dbraw/zinc/09/57/65/1080095765.db2.gz HTQCLEMBAKGQNI-DZGCQCFKSA-N -1 3 371.441 2.505 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588559169 1080095773 /nfs/dbraw/zinc/09/57/73/1080095773.db2.gz HTQCLEMBAKGQNI-DZGCQCFKSA-N -1 3 371.441 2.505 20 30 FFEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001588582435 1080108298 /nfs/dbraw/zinc/10/82/98/1080108298.db2.gz KVLOBWRBLVRTFR-NSHDSACASA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001588582435 1080108300 /nfs/dbraw/zinc/10/83/00/1080108300.db2.gz KVLOBWRBLVRTFR-NSHDSACASA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCCCC(=O)NC1CC(CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588586871 1080110097 /nfs/dbraw/zinc/11/00/97/1080110097.db2.gz OOYGOQOYVOKSQN-UHFFFAOYSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCCC(=O)NC1CC(CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588586871 1080110102 /nfs/dbraw/zinc/11/01/02/1080110102.db2.gz OOYGOQOYVOKSQN-UHFFFAOYSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001588587961 1080111192 /nfs/dbraw/zinc/11/11/92/1080111192.db2.gz AUWSFDUQUXIIDK-GXTWGEPZSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001588587961 1080111198 /nfs/dbraw/zinc/11/11/98/1080111198.db2.gz AUWSFDUQUXIIDK-GXTWGEPZSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCCC(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588590150 1080113646 /nfs/dbraw/zinc/11/36/46/1080113646.db2.gz AAHMRPKNSJPDOS-NSHDSACASA-N -1 3 363.853 2.578 20 30 FFEDHM C=CCCCC(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588590150 1080113651 /nfs/dbraw/zinc/11/36/51/1080113651.db2.gz AAHMRPKNSJPDOS-NSHDSACASA-N -1 3 363.853 2.578 20 30 FFEDHM C=CCCOCCCCC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588618097 1080123806 /nfs/dbraw/zinc/12/38/06/1080123806.db2.gz RKMFYAHNIVDJCP-UHFFFAOYSA-N -1 3 363.393 2.716 20 30 FFEDHM C=CCCOCCCCC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001588618097 1080123808 /nfs/dbraw/zinc/12/38/08/1080123808.db2.gz RKMFYAHNIVDJCP-UHFFFAOYSA-N -1 3 363.393 2.716 20 30 FFEDHM C=CCN(CCOC)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588632089 1080129840 /nfs/dbraw/zinc/12/98/40/1080129840.db2.gz JKZPGSIYVDLSHD-UHFFFAOYSA-N -1 3 364.475 2.892 20 30 FFEDHM C=CCN(CCOC)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588632089 1080129845 /nfs/dbraw/zinc/12/98/45/1080129845.db2.gz JKZPGSIYVDLSHD-UHFFFAOYSA-N -1 3 364.475 2.892 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccccc1OC ZINC001588640618 1080133265 /nfs/dbraw/zinc/13/32/65/1080133265.db2.gz VVUGXHMZYWNNGM-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccccc1OC ZINC001588640618 1080133270 /nfs/dbraw/zinc/13/32/70/1080133270.db2.gz VVUGXHMZYWNNGM-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(CCC)c1C ZINC001588648501 1080137771 /nfs/dbraw/zinc/13/77/71/1080137771.db2.gz PZAGUWJKWXUASN-UHFFFAOYSA-N -1 3 365.441 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(CCC)c1C ZINC001588648501 1080137775 /nfs/dbraw/zinc/13/77/75/1080137775.db2.gz PZAGUWJKWXUASN-UHFFFAOYSA-N -1 3 365.441 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001588649612 1080139077 /nfs/dbraw/zinc/13/90/77/1080139077.db2.gz UWYYCRCCTKUSRX-CHWSQXEVSA-N -1 3 351.332 2.580 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC001588649612 1080139082 /nfs/dbraw/zinc/13/90/82/1080139082.db2.gz UWYYCRCCTKUSRX-CHWSQXEVSA-N -1 3 351.332 2.580 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588688580 1080154808 /nfs/dbraw/zinc/15/48/08/1080154808.db2.gz KDAXXYFRDZOURP-UHFFFAOYSA-N -1 3 354.345 2.526 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588688580 1080154811 /nfs/dbraw/zinc/15/48/11/1080154811.db2.gz KDAXXYFRDZOURP-UHFFFAOYSA-N -1 3 354.345 2.526 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001588689966 1080155547 /nfs/dbraw/zinc/15/55/47/1080155547.db2.gz QJXDIAQHVGHULH-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001588689966 1080155554 /nfs/dbraw/zinc/15/55/54/1080155554.db2.gz QJXDIAQHVGHULH-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001588699192 1080160559 /nfs/dbraw/zinc/16/05/59/1080160559.db2.gz FLYZSMILJDDYLV-CZUORRHYSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001588699192 1080160564 /nfs/dbraw/zinc/16/05/64/1080160564.db2.gz FLYZSMILJDDYLV-CZUORRHYSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CCn1c(C2CCCC2)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588703084 1080162441 /nfs/dbraw/zinc/16/24/41/1080162441.db2.gz JAZXRXCZOPONAP-UHFFFAOYSA-N -1 3 362.441 2.822 20 30 FFEDHM C=CCn1c(C2CCCC2)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588703084 1080162445 /nfs/dbraw/zinc/16/24/45/1080162445.db2.gz JAZXRXCZOPONAP-UHFFFAOYSA-N -1 3 362.441 2.822 20 30 FFEDHM C=CCn1cc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)nn1 ZINC001588713767 1080166135 /nfs/dbraw/zinc/16/61/35/1080166135.db2.gz SOXROYZABOMKOE-UHFFFAOYSA-N -1 3 373.376 2.530 20 30 FFEDHM C=CCn1cc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)nn1 ZINC001588713767 1080166137 /nfs/dbraw/zinc/16/61/37/1080166137.db2.gz SOXROYZABOMKOE-UHFFFAOYSA-N -1 3 373.376 2.530 20 30 FFEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC001588903116 1080252087 /nfs/dbraw/zinc/25/20/87/1080252087.db2.gz KDUWIFHSEZHNII-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC001588903116 1080252096 /nfs/dbraw/zinc/25/20/96/1080252096.db2.gz KDUWIFHSEZHNII-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM CC(C)(C)CCCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589123298 1080373872 /nfs/dbraw/zinc/37/38/72/1080373872.db2.gz NVNQCOJLYJFJBV-MRXNPFEDSA-N -1 3 354.458 2.882 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)N2CCC[C@@H](C#N)C2)c1-c1nnn[n-]1 ZINC001589237633 1080440670 /nfs/dbraw/zinc/44/06/70/1080440670.db2.gz XWDPCKBCVFKQAF-JTQLQIEISA-N -1 3 359.459 2.993 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)N2CCC[C@@H](C#N)C2)c1-c1nn[n-]n1 ZINC001589237633 1080440673 /nfs/dbraw/zinc/44/06/73/1080440673.db2.gz XWDPCKBCVFKQAF-JTQLQIEISA-N -1 3 359.459 2.993 20 30 FFEDHM CC(C)C#CC(=O)N[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC001589387160 1080512027 /nfs/dbraw/zinc/51/20/27/1080512027.db2.gz HEWNFUOSIVDSAG-HNNXBMFYSA-N -1 3 372.448 2.608 20 30 FFEDHM CC(C)C#CC(=O)N[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC001589387160 1080512033 /nfs/dbraw/zinc/51/20/33/1080512033.db2.gz HEWNFUOSIVDSAG-HNNXBMFYSA-N -1 3 372.448 2.608 20 30 FFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001589787609 1080742267 /nfs/dbraw/zinc/74/22/67/1080742267.db2.gz LXDFSWPBVHQUDQ-QMMMGPOBSA-N -1 3 369.307 2.531 20 30 FFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589787609 1080742272 /nfs/dbraw/zinc/74/22/72/1080742272.db2.gz LXDFSWPBVHQUDQ-QMMMGPOBSA-N -1 3 369.307 2.531 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC001589893460 1080839139 /nfs/dbraw/zinc/83/91/39/1080839139.db2.gz WLCKMRQLAAUXBQ-CZUORRHYSA-N -1 3 352.442 2.586 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC001589893460 1080839145 /nfs/dbraw/zinc/83/91/45/1080839145.db2.gz WLCKMRQLAAUXBQ-CZUORRHYSA-N -1 3 352.442 2.586 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589915121 1080857304 /nfs/dbraw/zinc/85/73/04/1080857304.db2.gz FLDPJJAATKDSJY-RDTXWAMCSA-N -1 3 360.421 2.816 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589937541 1080881854 /nfs/dbraw/zinc/88/18/54/1080881854.db2.gz TWBSSTRFKIJRAD-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589937541 1080881862 /nfs/dbraw/zinc/88/18/62/1080881862.db2.gz TWBSSTRFKIJRAD-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1ccc(-c2nnn[n-]2)cc1 ZINC001589941810 1080885720 /nfs/dbraw/zinc/88/57/20/1080885720.db2.gz YAJVXBFXYLRYKC-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1ccc(-c2nn[n-]n2)cc1 ZINC001589941810 1080885727 /nfs/dbraw/zinc/88/57/27/1080885727.db2.gz YAJVXBFXYLRYKC-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC001590042537 1080968807 /nfs/dbraw/zinc/96/88/07/1080968807.db2.gz UAAYSTPIBCDWCW-CQSZACIVSA-N -1 3 372.432 2.990 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC001590042537 1080968812 /nfs/dbraw/zinc/96/88/12/1080968812.db2.gz UAAYSTPIBCDWCW-CQSZACIVSA-N -1 3 372.432 2.990 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590048487 1080977973 /nfs/dbraw/zinc/97/79/73/1080977973.db2.gz IEBBEQSOVRWEFS-CQSZACIVSA-N -1 3 372.432 2.990 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590048487 1080977982 /nfs/dbraw/zinc/97/79/82/1080977982.db2.gz IEBBEQSOVRWEFS-CQSZACIVSA-N -1 3 372.432 2.990 20 30 FFEDHM CC1(C)COc2c1cccc2C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590110881 1081020339 /nfs/dbraw/zinc/02/03/39/1081020339.db2.gz BEVHDNYTEUTFLE-UHFFFAOYSA-N -1 3 360.377 2.661 20 30 FFEDHM CC1(C)COc2c1cccc2C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590110881 1081020347 /nfs/dbraw/zinc/02/03/47/1081020347.db2.gz BEVHDNYTEUTFLE-UHFFFAOYSA-N -1 3 360.377 2.661 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1(C)C ZINC001590146813 1081050279 /nfs/dbraw/zinc/05/02/79/1081050279.db2.gz GDDZWCSWRXMVRQ-HZPDHXFCSA-N -1 3 373.453 2.919 20 30 FFEDHM C[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001590215685 1081097647 /nfs/dbraw/zinc/09/76/47/1081097647.db2.gz WIILLSDRADISAR-JIMOISOXSA-N -1 3 350.407 2.822 20 30 FFEDHM C[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001590215685 1081097652 /nfs/dbraw/zinc/09/76/52/1081097652.db2.gz WIILLSDRADISAR-JIMOISOXSA-N -1 3 350.407 2.822 20 30 FFEDHM C[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001590215663 1081098289 /nfs/dbraw/zinc/09/82/89/1081098289.db2.gz WIILLSDRADISAR-ICCXJUOJSA-N -1 3 350.407 2.822 20 30 FFEDHM C[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001590215663 1081098294 /nfs/dbraw/zinc/09/82/94/1081098294.db2.gz WIILLSDRADISAR-ICCXJUOJSA-N -1 3 350.407 2.822 20 30 FFEDHM C[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC001590263195 1081131858 /nfs/dbraw/zinc/13/18/58/1081131858.db2.gz KFLCSCVXXPTZIQ-RHSMWYFYSA-N -1 3 364.453 2.588 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000175501786 251218726 /nfs/dbraw/zinc/21/87/26/251218726.db2.gz XDGVRHFKOQMCSM-IAGOWNOFSA-N -1 3 359.495 2.683 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000272360210 252018311 /nfs/dbraw/zinc/01/83/11/252018311.db2.gz BSMPHDDMZOZHFG-GFCCVEGCSA-N -1 3 362.373 2.815 20 30 FFEDHM CCCN(CCN1CCCCC1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000286181983 257024414 /nfs/dbraw/zinc/02/44/14/257024414.db2.gz KYRFHOAOWMHSCP-UHFFFAOYSA-N -1 3 372.513 2.933 20 30 FFEDHM CCc1ccc([C@H](O)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000288165353 257154281 /nfs/dbraw/zinc/15/42/81/257154281.db2.gz FDFBWKRKNWNBSX-LJQANCHMSA-N -1 3 367.449 2.621 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccccc3)CC2)s1 ZINC000310054402 258115538 /nfs/dbraw/zinc/11/55/38/258115538.db2.gz STAQXWLLOWZIJI-UHFFFAOYSA-N -1 3 361.492 2.563 20 30 FFEDHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000331070797 258176677 /nfs/dbraw/zinc/17/66/77/258176677.db2.gz RYAAAFKRYIBYEA-BLLLJJGKSA-N -1 3 370.858 2.612 20 30 FFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410362585 512245951 /nfs/dbraw/zinc/24/59/51/512245951.db2.gz HFDGKEHGKITSHT-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000042166977 506606101 /nfs/dbraw/zinc/60/61/01/506606101.db2.gz RCWDHZPILYLXLZ-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM N#CC(=C([O-])c1c[nH]c2cc([N+](=O)[O-])ccc21)c1nnc2n1CCCCC2 ZINC000054726524 506609569 /nfs/dbraw/zinc/60/95/69/506609569.db2.gz KTGZORJCKNBXRW-ZDUSSCGKSA-N -1 3 364.365 2.884 20 30 FFEDHM CCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000067687922 506977179 /nfs/dbraw/zinc/97/71/79/506977179.db2.gz QRNAJEQIUFBPGH-UHFFFAOYSA-N -1 3 361.398 2.612 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)[C@H](C)CC)c1 ZINC000074563018 508034914 /nfs/dbraw/zinc/03/49/14/508034914.db2.gz ROISHTQMMQWMMK-CJNGLKHVSA-N -1 3 354.472 2.544 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)C2(C#N)CCC2)ccc1F ZINC000076921315 508262192 /nfs/dbraw/zinc/26/21/92/508262192.db2.gz VJCWFKYPOJHLES-UHFFFAOYSA-N -1 3 353.419 2.535 20 30 FFEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000085437035 508309029 /nfs/dbraw/zinc/30/90/29/508309029.db2.gz ODXOAIHHBUBXGS-CQSZACIVSA-N -1 3 362.227 2.959 20 30 FFEDHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)cc12 ZINC000088547174 508375678 /nfs/dbraw/zinc/37/56/78/508375678.db2.gz UUEXPABAENROFY-UHFFFAOYSA-N -1 3 361.814 2.603 20 30 FFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000122002614 508465228 /nfs/dbraw/zinc/46/52/28/508465228.db2.gz WBTCOXXKLSBHCC-ZETCQYMHSA-N -1 3 360.242 2.664 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC1Cc2ccccc2C1 ZINC000156858880 508487488 /nfs/dbraw/zinc/48/74/88/508487488.db2.gz WDJGAGHEYPMERV-UHFFFAOYSA-N -1 3 371.418 2.550 20 30 FFEDHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000122449850 508536909 /nfs/dbraw/zinc/53/69/09/508536909.db2.gz QBTZBSRNJPBJQH-SNVBAGLBSA-N -1 3 352.362 2.885 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)Nc1ccccc1 ZINC000157492342 508574077 /nfs/dbraw/zinc/57/40/77/508574077.db2.gz LKZXPOYYUJGLGE-LLVKDONJSA-N -1 3 363.826 2.517 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000158793976 508752741 /nfs/dbraw/zinc/75/27/41/508752741.db2.gz HITNAYUCSSBFGF-UHFFFAOYSA-N -1 3 352.394 2.514 20 30 FFEDHM CCOC(=O)Cc1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000154785833 508855996 /nfs/dbraw/zinc/85/59/96/508855996.db2.gz VCCXYIYWBJZFPN-UHFFFAOYSA-N -1 3 351.334 2.651 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOCCc2ccccc2)c(F)c1 ZINC000151087493 508953674 /nfs/dbraw/zinc/95/36/74/508953674.db2.gz QCAMUQCLERSPPI-UHFFFAOYSA-N -1 3 362.426 2.625 20 30 FFEDHM CCc1cc(C#N)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000126775720 509126500 /nfs/dbraw/zinc/12/65/00/509126500.db2.gz XNPKUHZEJZCUPT-UHFFFAOYSA-N -1 3 354.435 2.930 20 30 FFEDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)on1 ZINC000264132573 509343979 /nfs/dbraw/zinc/34/39/79/509343979.db2.gz OXEFQRLUEOFNKJ-CQSZACIVSA-N -1 3 354.410 2.725 20 30 FFEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1nc(C)cs1 ZINC000185763067 509344719 /nfs/dbraw/zinc/34/47/19/509344719.db2.gz RWGAJGXEZIGXMC-MRXNPFEDSA-N -1 3 365.480 2.936 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000163335576 509364630 /nfs/dbraw/zinc/36/46/30/509364630.db2.gz VHTVWFGQUVYTMI-WBVHZDCISA-N -1 3 360.410 2.896 20 30 FFEDHM CN(CCC#N)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182912232 509492541 /nfs/dbraw/zinc/49/25/41/509492541.db2.gz RWMLFZNBGLBYHQ-GOSISDBHSA-N -1 3 351.406 2.625 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C#N)c2ccccc2Cl)c([O-])c1 ZINC000186349578 509663021 /nfs/dbraw/zinc/66/30/21/509663021.db2.gz HYWLZBGEMNBPOO-INIZCTEOSA-N -1 3 371.824 2.855 20 30 FFEDHM CCCN(CC#N)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183456615 509800704 /nfs/dbraw/zinc/80/07/04/509800704.db2.gz XSCACUZACVMMNN-UHFFFAOYSA-N -1 3 372.450 2.714 20 30 FFEDHM CCS[C@H]1CC[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000174365381 510079090 /nfs/dbraw/zinc/07/90/90/510079090.db2.gz XRZJVNWCBFFUPZ-CABCVRRESA-N -1 3 361.511 2.929 20 30 FFEDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000190376667 510096251 /nfs/dbraw/zinc/09/62/51/510096251.db2.gz BUBPGODDPOENTN-MRXNPFEDSA-N -1 3 356.875 2.821 20 30 FFEDHM C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000190615022 510241378 /nfs/dbraw/zinc/24/13/78/510241378.db2.gz VDGYFNKBSUOXGV-SCLBCKFNSA-N -1 3 353.397 2.855 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184652725 510442791 /nfs/dbraw/zinc/44/27/91/510442791.db2.gz HDIJLLNROSHABQ-UHFFFAOYSA-N -1 3 361.445 2.870 20 30 FFEDHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1 ZINC000190998520 510458246 /nfs/dbraw/zinc/45/82/46/510458246.db2.gz NWVLWDKIKYGREQ-HNNXBMFYSA-N -1 3 370.446 2.602 20 30 FFEDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000171940190 510462258 /nfs/dbraw/zinc/46/22/58/510462258.db2.gz JISSNJWPJHMTKR-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM C=CCN(CC=C)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OCC ZINC000175075086 510471005 /nfs/dbraw/zinc/47/10/05/510471005.db2.gz STDXPOWDMHVMRN-UHFFFAOYSA-N -1 3 362.451 2.941 20 30 FFEDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184818307 510529142 /nfs/dbraw/zinc/52/91/42/510529142.db2.gz OXEWMHQAPHWACW-VIFPVBQESA-N -1 3 353.831 2.726 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cs1 ZINC000269793865 510548708 /nfs/dbraw/zinc/54/87/08/510548708.db2.gz KETQDRCDIOXKDW-SECBINFHSA-N -1 3 371.871 2.854 20 30 FFEDHM COc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OC ZINC000266665787 510717873 /nfs/dbraw/zinc/71/78/73/510717873.db2.gz READGGYBPRUZFC-UHFFFAOYSA-N -1 3 356.378 2.831 20 30 FFEDHM CCOc1cc(N2CCN(C)CC2)ccc1/N=C/c1ccc(O)c([O-])c1O ZINC000266674895 510722870 /nfs/dbraw/zinc/72/28/70/510722870.db2.gz ZOEVHPRNLLLUIW-FYJGNVAPSA-N -1 3 371.437 2.705 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CCO)c1ccccc1 ZINC000178792249 510774667 /nfs/dbraw/zinc/77/46/67/510774667.db2.gz ASHXDGOXLOOIFU-CQSZACIVSA-N -1 3 364.854 2.656 20 30 FFEDHM CCC(C)(C)[N-]C(=S)C(C(=O)c1nccs1)[n+]1cccc([O-])c1 ZINC000278147876 510983840 /nfs/dbraw/zinc/98/38/40/510983840.db2.gz ARJDOQUFERKGRU-UHFFFAOYSA-O -1 3 350.489 2.853 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000288423899 511073909 /nfs/dbraw/zinc/07/39/09/511073909.db2.gz OREFINFRRSDWKF-ZWKOTPCHSA-N -1 3 356.447 2.684 20 30 FFEDHM C#Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000289215187 511095802 /nfs/dbraw/zinc/09/58/02/511095802.db2.gz WYXWOKNXLDEXOI-UHFFFAOYSA-N -1 3 360.504 2.672 20 30 FFEDHM COCCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000298368307 511260209 /nfs/dbraw/zinc/26/02/09/511260209.db2.gz CQNKWKFBRMUUJX-UHFFFAOYSA-N -1 3 369.421 2.872 20 30 FFEDHM N#Cc1ccnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000295569878 511448111 /nfs/dbraw/zinc/44/81/11/511448111.db2.gz RBNSGNJBBSTJOP-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@H]2CCO[C@H]21 ZINC000365545142 511518943 /nfs/dbraw/zinc/51/89/43/511518943.db2.gz ITAWLXYASYSYCB-LERXQTSPSA-N -1 3 374.384 2.669 20 30 FFEDHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280879240 511639382 /nfs/dbraw/zinc/63/93/82/511639382.db2.gz AECOJQDOCYOWSH-UHFFFAOYSA-N -1 3 369.377 2.641 20 30 FFEDHM Cc1nc(C)c(CCC(=O)NC2CCN(CC(F)(F)F)CC2)c(=O)[n-]1 ZINC000328857307 511941210 /nfs/dbraw/zinc/94/12/10/511941210.db2.gz YBPCKIQLQMKJTE-UHFFFAOYSA-N -1 3 360.380 2.715 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3CC(F)(F)C3)no2)ccc1F ZINC000351122593 511960832 /nfs/dbraw/zinc/96/08/32/511960832.db2.gz NFLBCGFATYUSPG-UHFFFAOYSA-N -1 3 373.356 2.853 20 30 FFEDHM CCCCCCCCNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000274849153 511963542 /nfs/dbraw/zinc/96/35/42/511963542.db2.gz FOKUIUXYRSOPHO-INIZCTEOSA-N -1 3 360.458 2.919 20 30 FFEDHM COC(=O)c1cnc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)[n-]1 ZINC000274869822 511970467 /nfs/dbraw/zinc/97/04/67/511970467.db2.gz ALPVEPOZGZGDFI-UHFFFAOYSA-N -1 3 372.450 2.852 20 30 FFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)C12CCCC2 ZINC000329267838 512017779 /nfs/dbraw/zinc/01/77/79/512017779.db2.gz HWOKOVUFZCTNLA-NEPJUHHUSA-N -1 3 373.500 2.767 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)cc1 ZINC000281965609 512029212 /nfs/dbraw/zinc/02/92/12/512029212.db2.gz BGMWNJVKUVBBHT-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)cc1 ZINC000281965609 512029216 /nfs/dbraw/zinc/02/92/16/512029216.db2.gz BGMWNJVKUVBBHT-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)cc1 ZINC000281965609 512029221 /nfs/dbraw/zinc/02/92/21/512029221.db2.gz BGMWNJVKUVBBHT-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@H]2CCC(F)(F)C2)NC(=O)[N-]C1=O ZINC000329512991 512060548 /nfs/dbraw/zinc/06/05/48/512060548.db2.gz NQIBLUFAPBJNCE-ZIBATOQPSA-N -1 3 358.389 2.833 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000369968670 512704474 /nfs/dbraw/zinc/70/44/74/512704474.db2.gz DLTDLYIIVPSMPD-CQDKDKBSSA-N -1 3 353.344 2.618 20 30 FFEDHM Cc1ccc2[n-]cc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)c(=O)c2c1 ZINC000376399393 512801539 /nfs/dbraw/zinc/80/15/39/512801539.db2.gz ZPOLHCGYLAMVLN-FQEVSTJZSA-N -1 3 373.412 2.922 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cc1Cl ZINC000376794765 512989873 /nfs/dbraw/zinc/98/98/73/512989873.db2.gz ROUPCWWZTGWRLT-UHFFFAOYSA-N -1 3 359.798 2.798 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000450981287 513438447 /nfs/dbraw/zinc/43/84/47/513438447.db2.gz XCRFXJWOJGRROT-LBPRGKRZSA-N -1 3 363.252 2.946 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(C)cc(C#N)c2)CCCCC1 ZINC000451116937 513534310 /nfs/dbraw/zinc/53/43/10/513534310.db2.gz SVCTUCCMGSGAAZ-UHFFFAOYSA-N -1 3 350.440 2.732 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000447682938 513541916 /nfs/dbraw/zinc/54/19/16/513541916.db2.gz LLNAYOSBUGSWIZ-ZDUSSCGKSA-N -1 3 356.426 2.867 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000447682938 513541922 /nfs/dbraw/zinc/54/19/22/513541922.db2.gz LLNAYOSBUGSWIZ-ZDUSSCGKSA-N -1 3 356.426 2.867 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)s1 ZINC000435426058 513581556 /nfs/dbraw/zinc/58/15/56/513581556.db2.gz GGPUYGZJKWKPIF-CQSZACIVSA-N -1 3 350.490 2.929 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)s1 ZINC000435429005 513583383 /nfs/dbraw/zinc/58/33/83/513583383.db2.gz ULYGLGMVYCMBAL-ZDUSSCGKSA-N -1 3 352.412 2.951 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)s1 ZINC000435444774 513592967 /nfs/dbraw/zinc/59/29/67/513592967.db2.gz ZXJSIZCZHBCZEO-UHFFFAOYSA-N -1 3 358.391 2.742 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cn1 ZINC000447848335 513599116 /nfs/dbraw/zinc/59/91/16/513599116.db2.gz LIPPQQQNYPULRR-UHFFFAOYSA-N -1 3 373.768 2.687 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000435596762 513629768 /nfs/dbraw/zinc/62/97/68/513629768.db2.gz GUBJZORQLAUBQL-SMDDNHRTSA-N -1 3 370.327 2.949 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000435596191 513630418 /nfs/dbraw/zinc/63/04/18/513630418.db2.gz XGQQKOIBJWTAOS-DOMZBBRYSA-N -1 3 374.384 2.837 20 30 FFEDHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC3(CC#N)CC3)n2)cc1 ZINC000451313523 513671287 /nfs/dbraw/zinc/67/12/87/513671287.db2.gz MRRICUXLKJSSJQ-ZDUSSCGKSA-N -1 3 374.466 2.973 20 30 FFEDHM COc1ccc(-c2ncc(C(=O)[N-]c3ccncc3C#N)s2)cc1OC ZINC000435876799 513706245 /nfs/dbraw/zinc/70/62/45/513706245.db2.gz ZWJKCTNGSYUGCM-UHFFFAOYSA-N -1 3 366.402 2.768 20 30 FFEDHM CSCCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416398050 513751641 /nfs/dbraw/zinc/75/16/41/513751641.db2.gz CLIVZCZDXQXXHN-UHFFFAOYSA-N -1 3 363.302 2.742 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCCO1 ZINC000416444256 513774645 /nfs/dbraw/zinc/77/46/45/513774645.db2.gz XQOGFOJKAQZLLP-STQMWFEESA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443067862 513861409 /nfs/dbraw/zinc/86/14/09/513861409.db2.gz JVHPRZVDPBRMJW-BETUJISGSA-N -1 3 355.891 2.753 20 30 FFEDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@H](C)O1 ZINC000416609828 513864997 /nfs/dbraw/zinc/86/49/97/513864997.db2.gz VUMVJYTXOBTIIA-JFGNBEQYSA-N -1 3 362.373 2.669 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(=O)[nH]c2ccccc12 ZINC000443249388 513911025 /nfs/dbraw/zinc/91/10/25/513911025.db2.gz XCHMJIZHSZNWAO-UHFFFAOYSA-N -1 3 373.821 2.944 20 30 FFEDHM COc1cc([C@H](C#N)NC(=O)c2cccc(C)c2[O-])cc(OC)c1OC ZINC000436601155 513914115 /nfs/dbraw/zinc/91/41/15/513914115.db2.gz BUBQGSSQWXNEGF-AWEZNQCLSA-N -1 3 356.378 2.721 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)CC(C)(C)C#N)c1 ZINC000436989621 514065660 /nfs/dbraw/zinc/06/56/60/514065660.db2.gz MWIILMXVYZZKSQ-UHFFFAOYSA-N -1 3 356.382 2.563 20 30 FFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000426992062 514087403 /nfs/dbraw/zinc/08/74/03/514087403.db2.gz PWQRDHHILMQWHK-GOSISDBHSA-N -1 3 365.433 2.801 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000432303247 514153700 /nfs/dbraw/zinc/15/37/00/514153700.db2.gz QABMDLZZTREZDV-OAHLLOKOSA-N -1 3 369.368 2.968 20 30 FFEDHM C=CCc1cc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)cc(OC)c1O ZINC000417587430 514425142 /nfs/dbraw/zinc/42/51/42/514425142.db2.gz SDXQVAXYGHKZIA-WBMJQRKESA-N -1 3 351.443 2.876 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCO[C@H]1CCCc2ccccc21 ZINC000428266608 514437789 /nfs/dbraw/zinc/43/77/89/514437789.db2.gz KYIIXXPWPQNHIB-SFHVURJKSA-N -1 3 371.462 2.716 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000452930737 514562290 /nfs/dbraw/zinc/56/22/90/514562290.db2.gz OUHULKIDPPMAFE-HKUYNNGSSA-N -1 3 361.486 2.614 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc4n[n-]nc4c3)ccc21 ZINC000470844940 514639143 /nfs/dbraw/zinc/63/91/43/514639143.db2.gz PTEARNBZKOUEFB-UHFFFAOYSA-N -1 3 374.404 2.793 20 30 FFEDHM Cc1ccc(F)c(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1 ZINC000466417006 514641728 /nfs/dbraw/zinc/64/17/28/514641728.db2.gz MVUSOTXXBDKFPI-SECBINFHSA-N -1 3 356.279 2.834 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000508070714 514655444 /nfs/dbraw/zinc/65/54/44/514655444.db2.gz WKCWLFOFBMJEQF-HNNXBMFYSA-N -1 3 356.831 2.992 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466519806 514672249 /nfs/dbraw/zinc/67/22/49/514672249.db2.gz RVNVTGHXDZAEKM-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cc1C#N ZINC000489111617 514714297 /nfs/dbraw/zinc/71/42/97/514714297.db2.gz NCECQZXUBVFPCV-UHFFFAOYSA-N -1 3 373.331 2.898 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489722184 514951000 /nfs/dbraw/zinc/95/10/00/514951000.db2.gz ZLABPTCPIJMLIW-UHFFFAOYSA-N -1 3 357.325 2.595 20 30 FFEDHM N#Cc1ccccc1OC1CCC(NC(=O)NCc2ncccc2[O-])CC1 ZINC000471864439 515034632 /nfs/dbraw/zinc/03/46/32/515034632.db2.gz SFILOBAJIHFYPN-UHFFFAOYSA-N -1 3 366.421 2.848 20 30 FFEDHM N#C[C@@]1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCc2ccccc2C1 ZINC000471920173 515054467 /nfs/dbraw/zinc/05/44/67/515054467.db2.gz RXFKPPDOHREADX-QGZVFWFLSA-N -1 3 366.364 2.833 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509203902 515072597 /nfs/dbraw/zinc/07/25/97/515072597.db2.gz TUWBMPDIRSZZCC-SECBINFHSA-N -1 3 368.680 2.565 20 30 FFEDHM C=CCC1(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000456383420 515144713 /nfs/dbraw/zinc/14/47/13/515144713.db2.gz OWOIGEBRTFRCDF-ZDUSSCGKSA-N -1 3 356.513 2.810 20 30 FFEDHM C[C@@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000467955512 515177069 /nfs/dbraw/zinc/17/70/69/515177069.db2.gz ZNRAFRIMAUBFJJ-JTQLQIEISA-N -1 3 365.361 2.864 20 30 FFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000509576420 515241045 /nfs/dbraw/zinc/24/10/45/515241045.db2.gz VWWIXYCFBFRQKE-UHFFFAOYSA-N -1 3 373.390 2.510 20 30 FFEDHM C=CCN(C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000472509676 515297442 /nfs/dbraw/zinc/29/74/42/515297442.db2.gz YMVMRJCTQIBGQB-UHFFFAOYSA-N -1 3 362.373 2.868 20 30 FFEDHM N#Cc1ccccc1CSCCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000499935984 515521732 /nfs/dbraw/zinc/52/17/32/515521732.db2.gz CHLWNSYNEPJDII-UHFFFAOYSA-N -1 3 355.398 2.632 20 30 FFEDHM N#Cc1ccccc1CSCCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000499935984 515521752 /nfs/dbraw/zinc/52/17/52/515521752.db2.gz CHLWNSYNEPJDII-UHFFFAOYSA-N -1 3 355.398 2.632 20 30 FFEDHM N#Cc1ccccc1CSCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000499935984 515521764 /nfs/dbraw/zinc/52/17/64/515521764.db2.gz CHLWNSYNEPJDII-UHFFFAOYSA-N -1 3 355.398 2.632 20 30 FFEDHM C=CCCCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473242984 515549487 /nfs/dbraw/zinc/54/94/87/515549487.db2.gz HUCXYUUTHYYQIR-UHFFFAOYSA-N -1 3 350.362 2.773 20 30 FFEDHM COc1cccc(C[C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000494150161 515749528 /nfs/dbraw/zinc/74/95/28/515749528.db2.gz XIQYLRUQPJIFQF-ZDUSSCGKSA-N -1 3 367.449 2.964 20 30 FFEDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)[n-]2)o1 ZINC000507312042 516167880 /nfs/dbraw/zinc/16/78/80/516167880.db2.gz ITEOAXJRQIQQMJ-UHFFFAOYSA-N -1 3 373.376 2.991 20 30 FFEDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)n2)o1 ZINC000507312042 516167891 /nfs/dbraw/zinc/16/78/91/516167891.db2.gz ITEOAXJRQIQQMJ-UHFFFAOYSA-N -1 3 373.376 2.991 20 30 FFEDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)n[n-]2)o1 ZINC000507312042 516167902 /nfs/dbraw/zinc/16/79/02/516167902.db2.gz ITEOAXJRQIQQMJ-UHFFFAOYSA-N -1 3 373.376 2.991 20 30 FFEDHM CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000460525820 516180539 /nfs/dbraw/zinc/18/05/39/516180539.db2.gz TUAXCVHMLNTNSR-UHFFFAOYSA-N -1 3 357.385 2.761 20 30 FFEDHM C=CC[C@H]1N(C(=O)c2cncc([N-]S(C)(=O)=O)c2)CCCC1(C)C ZINC000470297832 516197280 /nfs/dbraw/zinc/19/72/80/516197280.db2.gz KWIYFGHRIUKPBD-OAHLLOKOSA-N -1 3 351.472 2.660 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000512402111 516266212 /nfs/dbraw/zinc/26/62/12/516266212.db2.gz VUWOTHRSRVQYME-UHFFFAOYSA-N -1 3 371.505 2.885 20 30 FFEDHM COC(=O)c1cnc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)cn1 ZINC000502137616 516308838 /nfs/dbraw/zinc/30/88/38/516308838.db2.gz IZFVICQGCDLZMQ-LLVKDONJSA-N -1 3 356.407 2.910 20 30 FFEDHM Cc1[nH]nc(C(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)c1[N+](=O)[O-] ZINC000522924949 516352813 /nfs/dbraw/zinc/35/28/13/516352813.db2.gz XGAWTJNFURRNLD-UHFFFAOYSA-N -1 3 368.378 2.798 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c(F)c1 ZINC000523570826 516508533 /nfs/dbraw/zinc/50/85/33/516508533.db2.gz CPKAFNWHBDXQDE-SJLPKXTDSA-N -1 3 360.410 2.896 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)c(Cl)c1 ZINC000528554396 516526797 /nfs/dbraw/zinc/52/67/97/516526797.db2.gz UJKKQNHIAQSEDG-AWEZNQCLSA-N -1 3 353.875 2.507 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000554725651 516607241 /nfs/dbraw/zinc/60/72/41/516607241.db2.gz HHJMBICAFNFDTG-LBPRGKRZSA-N -1 3 368.256 2.824 20 30 FFEDHM CC(C)(C)OC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000561519404 516628317 /nfs/dbraw/zinc/62/83/17/516628317.db2.gz RQKZIUKBTLIGRT-UHFFFAOYSA-N -1 3 362.407 2.585 20 30 FFEDHM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000518383376 516637566 /nfs/dbraw/zinc/63/75/66/516637566.db2.gz LFNGYZKTTSXEEP-GWCFXTLKSA-N -1 3 364.389 2.652 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C)c(C)c1 ZINC000561722022 516734037 /nfs/dbraw/zinc/73/40/37/516734037.db2.gz HZNZPUCYNCBEGS-GOSISDBHSA-N -1 3 372.446 2.509 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCCc1ccc(Cl)s1 ZINC000551554128 516757436 /nfs/dbraw/zinc/75/74/36/516757436.db2.gz URKCLWLZVQQJGE-UHFFFAOYSA-N -1 3 355.872 2.969 20 30 FFEDHM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000544582353 516823862 /nfs/dbraw/zinc/82/38/62/516823862.db2.gz DMKYSPOHPABAHK-UHFFFAOYSA-N -1 3 360.410 2.770 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1cccc(F)c1 ZINC000544723058 516894865 /nfs/dbraw/zinc/89/48/65/516894865.db2.gz IYQZTPYWQDIUGV-HNNXBMFYSA-N -1 3 354.447 2.986 20 30 FFEDHM C=C(C)COCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532403779 516956905 /nfs/dbraw/zinc/95/69/05/516956905.db2.gz WCKRJMGMKJFQAI-UHFFFAOYSA-N -1 3 365.227 2.613 20 30 FFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000514751608 517038026 /nfs/dbraw/zinc/03/80/26/517038026.db2.gz GFKCDWVDPARWAY-LLVKDONJSA-N -1 3 360.863 2.940 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2c[nH]nn2)c1 ZINC000541589145 517125073 /nfs/dbraw/zinc/12/50/73/517125073.db2.gz YOIQVCDDJVIQLB-UHFFFAOYSA-N -1 3 362.393 2.632 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc(OC(F)F)cc1 ZINC000532775693 517139801 /nfs/dbraw/zinc/13/98/01/517139801.db2.gz NAMPJILEMIHYFU-UHFFFAOYSA-N -1 3 370.352 2.820 20 30 FFEDHM COCc1nc(C(=O)[N-]c2c(C#N)c(SC)nn2-c2ccccc2)co1 ZINC000525836998 517191066 /nfs/dbraw/zinc/19/10/66/517191066.db2.gz TXDKIIZZSFYNTA-UHFFFAOYSA-N -1 3 369.406 2.853 20 30 FFEDHM Cc1ccc([C@@H](C[N-]S(=O)(=O)CC2(C#N)CCCC2)N2CCCC2)o1 ZINC000545365010 517200136 /nfs/dbraw/zinc/20/01/36/517200136.db2.gz BICCVBUKWXNLEZ-MRXNPFEDSA-N -1 3 365.499 2.728 20 30 FFEDHM N#Cc1ccnc(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)c1 ZINC000525923861 517235468 /nfs/dbraw/zinc/23/54/68/517235468.db2.gz CSZJNFHEDMXLHK-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000562735318 517352893 /nfs/dbraw/zinc/35/28/93/517352893.db2.gz PTMPTPZHWWXFCQ-ZJUUUORDSA-N -1 3 366.664 2.724 20 30 FFEDHM CCCCn1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)n1 ZINC000538000111 517431066 /nfs/dbraw/zinc/43/10/66/517431066.db2.gz JKFCKOLQWHLLEC-UHFFFAOYSA-N -1 3 369.469 2.830 20 30 FFEDHM N#C[C@@]1([N-]S(=O)(=O)Cc2ccc(F)cc2F)CCc2ccccc2C1 ZINC000546020381 517493795 /nfs/dbraw/zinc/49/37/95/517493795.db2.gz JGLKOCXTBUOWBV-GOSISDBHSA-N -1 3 362.401 2.835 20 30 FFEDHM N#CC(=C([O-])c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccncn1 ZINC000546152492 517571167 /nfs/dbraw/zinc/57/11/67/517571167.db2.gz BYMRBMOAUDGCJR-KRWDZBQOSA-N -1 3 358.357 2.858 20 30 FFEDHM CC(=O)c1ccc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)c(F)c1 ZINC000538559921 517668830 /nfs/dbraw/zinc/66/88/30/517668830.db2.gz PYOYRSPTYGSJNX-UHFFFAOYSA-N -1 3 363.352 2.792 20 30 FFEDHM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000543165478 517941063 /nfs/dbraw/zinc/94/10/63/517941063.db2.gz FZUMNVFKMSEJEC-UHFFFAOYSA-N -1 3 374.418 2.609 20 30 FFEDHM Cc1ncc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C2CC2)n1 ZINC000547375469 518110464 /nfs/dbraw/zinc/11/04/64/518110464.db2.gz MPAFWQJVFSWBOW-UHFFFAOYSA-N -1 3 351.410 2.823 20 30 FFEDHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C2CC2)no1 ZINC000563769284 518115756 /nfs/dbraw/zinc/11/57/56/518115756.db2.gz TVXRMPWNDFOPKR-HNNXBMFYSA-N -1 3 366.830 2.507 20 30 FFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535148884 518158863 /nfs/dbraw/zinc/15/88/63/518158863.db2.gz PNXHMMLQYFADBI-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000581767723 518445241 /nfs/dbraw/zinc/44/52/41/518445241.db2.gz VPXBIXVNNWAGJQ-ZJUUUORDSA-N -1 3 366.664 2.724 20 30 FFEDHM C=CCCCN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000564468484 518465047 /nfs/dbraw/zinc/46/50/47/518465047.db2.gz XJIRNMPMVHHCPV-UHFFFAOYSA-N -1 3 365.282 2.696 20 30 FFEDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000573154763 518530102 /nfs/dbraw/zinc/53/01/02/518530102.db2.gz OLYGYZGEIVWPDC-HUUCEWRRSA-N -1 3 373.478 2.586 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000576336330 518541393 /nfs/dbraw/zinc/54/13/93/518541393.db2.gz RPLQOQIDAQLNQN-UKRRQHHQSA-N -1 3 366.439 2.957 20 30 FFEDHM CC(C)(C)c1cc(CS(=O)(=O)[N-]Cc2ccc(C#N)cc2F)no1 ZINC000585736670 518580101 /nfs/dbraw/zinc/58/01/01/518580101.db2.gz LDWPMPINNIBWEO-UHFFFAOYSA-N -1 3 351.403 2.602 20 30 FFEDHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000588942780 518876915 /nfs/dbraw/zinc/87/69/15/518876915.db2.gz HMHOGPWWUXKGOW-LLVKDONJSA-N -1 3 373.862 2.524 20 30 FFEDHM N#CC1(CC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000590300756 519193562 /nfs/dbraw/zinc/19/35/62/519193562.db2.gz XKXUUDOTQUYAHS-UHFFFAOYSA-N -1 3 361.829 2.917 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000590763866 519357244 /nfs/dbraw/zinc/35/72/44/519357244.db2.gz UCAQZEFXYRLXHM-TZMCWYRMSA-N -1 3 366.439 2.957 20 30 FFEDHM CCOc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000591329038 519592605 /nfs/dbraw/zinc/59/26/05/519592605.db2.gz JIJKSGNNENJZBP-AWEZNQCLSA-N -1 3 359.451 2.509 20 30 FFEDHM CO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000569564530 519612845 /nfs/dbraw/zinc/61/28/45/519612845.db2.gz QYPWYBDTOIFSLQ-DLBZAZTESA-N -1 3 357.454 2.624 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 ZINC000594475837 519985368 /nfs/dbraw/zinc/98/53/68/519985368.db2.gz XJULWALULYFVKM-HOCLYGCPSA-N -1 3 354.859 2.838 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000594490281 520000197 /nfs/dbraw/zinc/00/01/97/520000197.db2.gz SMAHVWONJMDKJK-GXTWGEPZSA-N -1 3 362.373 2.531 20 30 FFEDHM COCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000591862512 520064720 /nfs/dbraw/zinc/06/47/20/520064720.db2.gz SYPICLFSQZIGLS-MRXNPFEDSA-N -1 3 362.389 2.783 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@](C)(O)C1CC1 ZINC000594758275 520138655 /nfs/dbraw/zinc/13/86/55/520138655.db2.gz JHZBXXQCERVAKG-INIZCTEOSA-N -1 3 350.465 2.521 20 30 FFEDHM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000608834139 520140952 /nfs/dbraw/zinc/14/09/52/520140952.db2.gz VIRZJGYXZCSISL-ZYHUDNBSSA-N -1 3 362.373 2.813 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594774868 520148870 /nfs/dbraw/zinc/14/88/70/520148870.db2.gz IIBZTARSTKTGHY-AWEZNQCLSA-N -1 3 350.465 2.785 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CO)C(C)(C)C ZINC000594774108 520149187 /nfs/dbraw/zinc/14/91/87/520149187.db2.gz XPAYIWJDQVBURS-CQSZACIVSA-N -1 3 352.481 2.767 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594884353 520206555 /nfs/dbraw/zinc/20/65/55/520206555.db2.gz PEPZPAWNKQZAQV-UHFFFAOYSA-N -1 3 356.469 2.596 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)CCCCC1 ZINC000613076214 520303456 /nfs/dbraw/zinc/30/34/56/520303456.db2.gz VBTLYBADUPBGOX-MRXNPFEDSA-N -1 3 365.499 2.810 20 30 FFEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](OCC)C1CC1 ZINC000600646362 520373299 /nfs/dbraw/zinc/37/32/99/520373299.db2.gz BBIRPPWKECNNKJ-KRWDZBQOSA-N -1 3 351.472 2.937 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000600668060 520384938 /nfs/dbraw/zinc/38/49/38/520384938.db2.gz LIWPKLJEPHTJTO-IAOVAPTHSA-N -1 3 354.447 2.905 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)cn1CC1CC1 ZINC000595319876 520407558 /nfs/dbraw/zinc/40/75/58/520407558.db2.gz DTFDKNUKEWGGON-UHFFFAOYSA-N -1 3 370.478 2.695 20 30 FFEDHM C[C@@H](C#N)N(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000598128049 520442794 /nfs/dbraw/zinc/44/27/94/520442794.db2.gz GQVCSMUGZNLCMI-VIFPVBQESA-N -1 3 360.211 2.807 20 30 FFEDHM CC(C)(C)OC(=O)C1(C[N-]S(=O)(=O)CC2(C#N)CCCC2)CCC1 ZINC000595394348 520445629 /nfs/dbraw/zinc/44/56/29/520445629.db2.gz HSAWDGOAQFBXNC-UHFFFAOYSA-N -1 3 356.488 2.502 20 30 FFEDHM CCN(CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccc(C)c1 ZINC000610056714 520518526 /nfs/dbraw/zinc/51/85/26/520518526.db2.gz QSAUZCBFDGTMST-UHFFFAOYSA-N -1 3 361.442 2.811 20 30 FFEDHM C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610083330 520533944 /nfs/dbraw/zinc/53/39/44/520533944.db2.gz WVBTXGSHDBJDLK-RHSMWYFYSA-N -1 3 373.453 2.811 20 30 FFEDHM Cc1nc([N-]C(=O)COc2c(C)cccc2C)n(-c2ccc(C#N)cc2)n1 ZINC000610110387 520542898 /nfs/dbraw/zinc/54/28/98/520542898.db2.gz WEAVHBCUJCCDLK-UHFFFAOYSA-N -1 3 361.405 2.504 20 30 FFEDHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610265188 520611722 /nfs/dbraw/zinc/61/17/22/520611722.db2.gz GGXBILWDXVVRLA-MSOLQXFVSA-N -1 3 360.410 2.714 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000610269744 520615913 /nfs/dbraw/zinc/61/59/13/520615913.db2.gz RRVDXIFTKKZCDN-NSHDSACASA-N -1 3 352.362 2.582 20 30 FFEDHM CC(C)OCCS(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610509539 520720163 /nfs/dbraw/zinc/72/01/63/520720163.db2.gz NUXQFOKTXKBTTC-UHFFFAOYSA-N -1 3 361.423 2.912 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2cc(F)ccc2F)c1 ZINC000613926610 520730958 /nfs/dbraw/zinc/73/09/58/520730958.db2.gz FCPRLCNRXZCQJJ-CQSZACIVSA-N -1 3 372.780 2.502 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c1 ZINC000598622742 520748691 /nfs/dbraw/zinc/74/86/91/520748691.db2.gz QLWNQVXCPYAYKW-SECBINFHSA-N -1 3 365.199 2.644 20 30 FFEDHM C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611021815 520950615 /nfs/dbraw/zinc/95/06/15/520950615.db2.gz IMRDJHWLYUZIFD-WBMJQRKESA-N -1 3 364.854 2.655 20 30 FFEDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000611024270 520950916 /nfs/dbraw/zinc/95/09/16/520950916.db2.gz SDDDICVCXOYEGF-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3ccc(Cl)cc3C#N)nc12 ZINC000611024716 520952111 /nfs/dbraw/zinc/95/21/11/520952111.db2.gz PTDVCENQXSYEBR-UHFFFAOYSA-N -1 3 374.853 2.689 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)s1 ZINC000611114186 520991961 /nfs/dbraw/zinc/99/19/61/520991961.db2.gz GZIAKICOXIKLJS-RISCZKNCSA-N -1 3 369.512 2.696 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCCC1 ZINC000593525476 521049629 /nfs/dbraw/zinc/04/96/29/521049629.db2.gz RTRCNEQYKNKLLL-GFCCVEGCSA-N -1 3 367.521 2.797 20 30 FFEDHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000593583638 521091013 /nfs/dbraw/zinc/09/10/13/521091013.db2.gz WLWQPLNJWDFDAH-DYVFJYSZSA-N -1 3 364.492 2.528 20 30 FFEDHM COc1cc([C@H](C#N)NC(=O)c2c(C)cccc2[O-])cc(OC)c1OC ZINC000599235395 521101333 /nfs/dbraw/zinc/10/13/33/521101333.db2.gz YTGJAFOIJZWGGH-ZDUSSCGKSA-N -1 3 356.378 2.721 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593623756 521114151 /nfs/dbraw/zinc/11/41/51/521114151.db2.gz PGROIBXROVDHNG-UHFFFAOYSA-N -1 3 368.256 2.683 20 30 FFEDHM CC(C)(C)OC(=O)CC1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCC1 ZINC000593632620 521121541 /nfs/dbraw/zinc/12/15/41/521121541.db2.gz FYPZNWHIYIWUNE-UHFFFAOYSA-N -1 3 368.430 2.630 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2cc(F)ccc2O1 ZINC000593635530 521123591 /nfs/dbraw/zinc/12/35/91/521123591.db2.gz GKXPUQASFFWGGS-ZDUSSCGKSA-N -1 3 350.371 2.871 20 30 FFEDHM COc1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)ccc1[O-] ZINC000602194337 521201384 /nfs/dbraw/zinc/20/13/84/521201384.db2.gz UVRZLXQZHBVTQO-UHFFFAOYSA-N -1 3 351.406 2.989 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618739806 521207768 /nfs/dbraw/zinc/20/77/68/521207768.db2.gz SIZDFYVKHCYAQJ-LJQANCHMSA-N -1 3 360.417 2.884 20 30 FFEDHM CCC(F)(F)C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000599431910 521220711 /nfs/dbraw/zinc/22/07/11/521220711.db2.gz SVVMLDAVQBJPBU-UHFFFAOYSA-N -1 3 353.188 2.644 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000593885362 521273196 /nfs/dbraw/zinc/27/31/96/521273196.db2.gz DJKXEQWSMUETLE-UHFFFAOYSA-N -1 3 360.417 2.530 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000615748415 521520263 /nfs/dbraw/zinc/52/02/63/521520263.db2.gz HGQBOTSRSWETTD-GXTWGEPZSA-N -1 3 374.890 2.970 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[n-]1 ZINC000619446156 521571620 /nfs/dbraw/zinc/57/16/20/521571620.db2.gz UFKPBIODZHHPHZ-OAHLLOKOSA-N -1 3 356.382 2.500 20 30 FFEDHM CCOC(=O)c1nc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c[n-]1 ZINC000619446156 521571624 /nfs/dbraw/zinc/57/16/24/521571624.db2.gz UFKPBIODZHHPHZ-OAHLLOKOSA-N -1 3 356.382 2.500 20 30 FFEDHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619752675 521854690 /nfs/dbraw/zinc/85/46/90/521854690.db2.gz KCBVETYESMKVRY-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330265903 568009626 /nfs/dbraw/zinc/00/96/26/568009626.db2.gz ZWVQBOOJGYIERJ-NHYWBVRUSA-N -1 3 367.446 2.686 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1-c1nnn[n-]1 ZINC000737715996 598917587 /nfs/dbraw/zinc/91/75/87/598917587.db2.gz JNZFJHGPNXKFIA-UHFFFAOYSA-N -1 3 356.748 2.712 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1-c1nn[n-]n1 ZINC000737715996 598917589 /nfs/dbraw/zinc/91/75/89/598917589.db2.gz JNZFJHGPNXKFIA-UHFFFAOYSA-N -1 3 356.748 2.712 20 30 FFEDHM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1-c1nnn[n-]1 ZINC000737718254 598917722 /nfs/dbraw/zinc/91/77/22/598917722.db2.gz MZIPZHJCWCHNPE-UHFFFAOYSA-N -1 3 362.368 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1-c1nn[n-]n1 ZINC000737718254 598917725 /nfs/dbraw/zinc/91/77/25/598917725.db2.gz MZIPZHJCWCHNPE-UHFFFAOYSA-N -1 3 362.368 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000737709183 598920347 /nfs/dbraw/zinc/92/03/47/598920347.db2.gz LAXZLDBHVVBQLU-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000737709183 598920349 /nfs/dbraw/zinc/92/03/49/598920349.db2.gz LAXZLDBHVVBQLU-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM C#CCOc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000735387777 598965548 /nfs/dbraw/zinc/96/55/48/598965548.db2.gz FTPHJJIOSNMAFJ-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM C#CCOc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000735387777 598965549 /nfs/dbraw/zinc/96/55/49/598965549.db2.gz FTPHJJIOSNMAFJ-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCON=Cc1ccccc1C ZINC000737033286 598978045 /nfs/dbraw/zinc/97/80/45/598978045.db2.gz UUDWGSSNYBWEHY-UHFFFAOYSA-N -1 3 353.382 2.613 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=Cc1ccccc1C ZINC000737033286 598978047 /nfs/dbraw/zinc/97/80/47/598978047.db2.gz UUDWGSSNYBWEHY-UHFFFAOYSA-N -1 3 353.382 2.613 20 30 FFEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1nccn1CC(F)(F)F ZINC000823503157 599114477 /nfs/dbraw/zinc/11/44/77/599114477.db2.gz CHCJLWJOFGFZNL-DHZHZOJOSA-N -1 3 374.326 2.838 20 30 FFEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1nccn1CC(F)(F)F ZINC000823503157 599114479 /nfs/dbraw/zinc/11/44/79/599114479.db2.gz CHCJLWJOFGFZNL-DHZHZOJOSA-N -1 3 374.326 2.838 20 30 FFEDHM COc1ccc(C=C2CCc3cc(C#N)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000821786439 599116281 /nfs/dbraw/zinc/11/62/81/599116281.db2.gz DLQIXWXXHFLAOI-NVNXTCNLSA-N -1 3 357.373 2.959 20 30 FFEDHM COc1ccc(C=C2CCc3cc(C#N)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000821786439 599116282 /nfs/dbraw/zinc/11/62/82/599116282.db2.gz DLQIXWXXHFLAOI-NVNXTCNLSA-N -1 3 357.373 2.959 20 30 FFEDHM COc1ccc(C=NNc2ccc(OC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737082936 599129367 /nfs/dbraw/zinc/12/93/67/599129367.db2.gz MULATYDZXOMRGY-UHFFFAOYSA-N -1 3 360.324 2.923 20 30 FFEDHM COc1ccc(C=NNc2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737082936 599129369 /nfs/dbraw/zinc/12/93/69/599129369.db2.gz MULATYDZXOMRGY-UHFFFAOYSA-N -1 3 360.324 2.923 20 30 FFEDHM N#CCCCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737688358 599130310 /nfs/dbraw/zinc/13/03/10/599130310.db2.gz RUWHVHAKKGSKJJ-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM COc1ccc(C=C2COc3ccc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737081559 599155250 /nfs/dbraw/zinc/15/52/50/599155250.db2.gz GFTHVMVTLLXVNZ-WDZFZDKYSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1ccc(C=C2COc3ccc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737081559 599155254 /nfs/dbraw/zinc/15/52/54/599155254.db2.gz GFTHVMVTLLXVNZ-WDZFZDKYSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-n3cccn3)cc2)cc1-c1nnn[n-]1 ZINC000737081493 599155477 /nfs/dbraw/zinc/15/54/77/599155477.db2.gz OAJWXUMFWYLLRS-OQFOIZHKSA-N -1 3 372.388 2.957 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-n3cccn3)cc2)cc1-c1nn[n-]n1 ZINC000737081493 599155480 /nfs/dbraw/zinc/15/54/80/599155480.db2.gz OAJWXUMFWYLLRS-OQFOIZHKSA-N -1 3 372.388 2.957 20 30 FFEDHM N#Cc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1-c1nnn[n-]1 ZINC000737719346 599195616 /nfs/dbraw/zinc/19/56/16/599195616.db2.gz PFVATSKEKIUTGJ-UHFFFAOYSA-N -1 3 363.362 2.707 20 30 FFEDHM N#Cc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1-c1nn[n-]n1 ZINC000737719346 599195618 /nfs/dbraw/zinc/19/56/18/599195618.db2.gz PFVATSKEKIUTGJ-UHFFFAOYSA-N -1 3 363.362 2.707 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819701710 599242298 /nfs/dbraw/zinc/24/22/98/599242298.db2.gz LHBBNACCVVOAJO-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819701710 599242300 /nfs/dbraw/zinc/24/23/00/599242300.db2.gz LHBBNACCVVOAJO-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM C#CCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819693070 599254091 /nfs/dbraw/zinc/25/40/91/599254091.db2.gz MZFRXFMPGRSXJQ-UHFFFAOYSA-N -1 3 363.381 2.589 20 30 FFEDHM C#CCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819693070 599254093 /nfs/dbraw/zinc/25/40/93/599254093.db2.gz MZFRXFMPGRSXJQ-UHFFFAOYSA-N -1 3 363.381 2.589 20 30 FFEDHM Cc1c(NC(=O)NCc2cc(C#N)ccc2F)cccc1-c1nnn[n-]1 ZINC000822105686 607288380 /nfs/dbraw/zinc/28/83/80/607288380.db2.gz WOBVNVNWYVFHGB-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM Cc1c(NC(=O)NCc2cc(C#N)ccc2F)cccc1-c1nn[n-]n1 ZINC000822105686 607288381 /nfs/dbraw/zinc/28/83/81/607288381.db2.gz WOBVNVNWYVFHGB-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM Cc1c(NC(=O)N(CCC#N)Cc2ccco2)cccc1-c1nnn[n-]1 ZINC000822075660 607293371 /nfs/dbraw/zinc/29/33/71/607293371.db2.gz HJOGKOUTTUQOHO-UHFFFAOYSA-N -1 3 351.370 2.716 20 30 FFEDHM Cc1c(NC(=O)N(CCC#N)Cc2ccco2)cccc1-c1nn[n-]n1 ZINC000822075660 607293372 /nfs/dbraw/zinc/29/33/72/607293372.db2.gz HJOGKOUTTUQOHO-UHFFFAOYSA-N -1 3 351.370 2.716 20 30 FFEDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccc(F)cc1 ZINC000822978973 607351090 /nfs/dbraw/zinc/35/10/90/607351090.db2.gz UMRYWDPWQMBCCP-UHFFFAOYSA-N -1 3 350.353 2.533 20 30 FFEDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(F)cc1 ZINC000822978973 607351092 /nfs/dbraw/zinc/35/10/92/607351092.db2.gz UMRYWDPWQMBCCP-UHFFFAOYSA-N -1 3 350.353 2.533 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201624 598377331 /nfs/dbraw/zinc/37/73/31/598377331.db2.gz FCPWGDHIBNDDFE-CMDGGOBGSA-N -1 3 364.365 2.727 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201624 598377332 /nfs/dbraw/zinc/37/73/32/598377332.db2.gz FCPWGDHIBNDDFE-CMDGGOBGSA-N -1 3 364.365 2.727 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735419642 598538546 /nfs/dbraw/zinc/53/85/46/598538546.db2.gz YMYHBWGDCBYKBR-UHFFFAOYSA-N -1 3 365.393 2.853 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737722637 598547043 /nfs/dbraw/zinc/54/70/43/598547043.db2.gz LKSUPRYGSFWLEH-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737722637 598547045 /nfs/dbraw/zinc/54/70/45/598547045.db2.gz LKSUPRYGSFWLEH-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#CCc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737698443 598576319 /nfs/dbraw/zinc/57/63/19/598576319.db2.gz YOSUXTWUZLBYJY-GOSISDBHSA-N -1 3 373.420 2.540 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000737674767 598589584 /nfs/dbraw/zinc/58/95/84/598589584.db2.gz LMSGTJKKFVWJGG-CQSZACIVSA-N -1 3 372.310 2.880 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000737674767 598589586 /nfs/dbraw/zinc/58/95/86/598589586.db2.gz LMSGTJKKFVWJGG-CQSZACIVSA-N -1 3 372.310 2.880 20 30 FFEDHM N#Cc1cc(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC000737708520 598603492 /nfs/dbraw/zinc/60/34/92/598603492.db2.gz DONRCKXMWMQSRT-UHFFFAOYSA-N -1 3 371.763 2.581 20 30 FFEDHM N#Cc1cc(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC000737708520 598603493 /nfs/dbraw/zinc/60/34/93/598603493.db2.gz DONRCKXMWMQSRT-UHFFFAOYSA-N -1 3 371.763 2.581 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(N(C)C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201239 598640606 /nfs/dbraw/zinc/64/06/06/598640606.db2.gz APJMKQHAPXRQOB-DHZHZOJOSA-N -1 3 362.437 2.885 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(N(C)C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201239 598640608 /nfs/dbraw/zinc/64/06/08/598640608.db2.gz APJMKQHAPXRQOB-DHZHZOJOSA-N -1 3 362.437 2.885 20 30 FFEDHM N#Cc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737722896 598645002 /nfs/dbraw/zinc/64/50/02/598645002.db2.gz ZDYPJRQAZXWVEJ-UHFFFAOYSA-N -1 3 363.377 2.893 20 30 FFEDHM N#Cc1ccc(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737722896 598645004 /nfs/dbraw/zinc/64/50/04/598645004.db2.gz ZDYPJRQAZXWVEJ-UHFFFAOYSA-N -1 3 363.377 2.893 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737730723 598645169 /nfs/dbraw/zinc/64/51/69/598645169.db2.gz QSPFNECFQVLVKQ-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737730723 598645171 /nfs/dbraw/zinc/64/51/71/598645171.db2.gz QSPFNECFQVLVKQ-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735504416 598691616 /nfs/dbraw/zinc/69/16/16/598691616.db2.gz NGGRTKGLPWIQHX-KRWDZBQOSA-N -1 3 352.423 2.573 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735504416 598691618 /nfs/dbraw/zinc/69/16/18/598691618.db2.gz NGGRTKGLPWIQHX-KRWDZBQOSA-N -1 3 352.423 2.573 20 30 FFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2ccccc2n1CC#N ZINC000736823353 598817379 /nfs/dbraw/zinc/81/73/79/598817379.db2.gz XRFXZAZTEMTLLE-UHFFFAOYSA-N -1 3 371.404 2.617 20 30 FFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2ccccc2n1CC#N ZINC000736823353 598817381 /nfs/dbraw/zinc/81/73/81/598817381.db2.gz XRFXZAZTEMTLLE-UHFFFAOYSA-N -1 3 371.404 2.617 20 30 FFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2cnccn2)cc1 ZINC000819718275 599333654 /nfs/dbraw/zinc/33/36/54/599333654.db2.gz DEWNGHFFMNFWCT-UHFFFAOYSA-N -1 3 358.365 2.895 20 30 FFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2cnccn2)cc1 ZINC000819718275 599333657 /nfs/dbraw/zinc/33/36/57/599333657.db2.gz DEWNGHFFMNFWCT-UHFFFAOYSA-N -1 3 358.365 2.895 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](Sc3ccccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822829906 599350641 /nfs/dbraw/zinc/35/06/41/599350641.db2.gz OPYFVSALFQHMOC-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](Sc3ccccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822829906 599350643 /nfs/dbraw/zinc/35/06/43/599350643.db2.gz OPYFVSALFQHMOC-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM C=CCOc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000819758876 599387603 /nfs/dbraw/zinc/38/76/03/599387603.db2.gz ISWDTAUVGWBZND-UHFFFAOYSA-N -1 3 368.393 2.898 20 30 FFEDHM C=CCOc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000819758876 599387606 /nfs/dbraw/zinc/38/76/06/599387606.db2.gz ISWDTAUVGWBZND-UHFFFAOYSA-N -1 3 368.393 2.898 20 30 FFEDHM Fc1ccc(CON=Cc2c(Cl)nc3ccccn32)c(-c2nnn[n-]2)c1 ZINC000737651441 599475710 /nfs/dbraw/zinc/47/57/10/599475710.db2.gz WWASDZUBUGXZIS-UHFFFAOYSA-N -1 3 371.763 2.858 20 30 FFEDHM Fc1ccc(CON=Cc2c(Cl)nc3ccccn32)c(-c2nn[n-]n2)c1 ZINC000737651441 599475711 /nfs/dbraw/zinc/47/57/11/599475711.db2.gz WWASDZUBUGXZIS-UHFFFAOYSA-N -1 3 371.763 2.858 20 30 FFEDHM N#CCCCOc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000737687330 599487641 /nfs/dbraw/zinc/48/76/41/599487641.db2.gz QZGONLHJSUGHEI-UHFFFAOYSA-N -1 3 374.408 2.809 20 30 FFEDHM N#CCCCOc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737687330 599487643 /nfs/dbraw/zinc/48/76/43/599487643.db2.gz QZGONLHJSUGHEI-UHFFFAOYSA-N -1 3 374.408 2.809 20 30 FFEDHM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819844308 599549761 /nfs/dbraw/zinc/54/97/61/599549761.db2.gz BRIQSQDMJCNEOL-JTQLQIEISA-N -1 3 352.329 2.896 20 30 FFEDHM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819844308 599549762 /nfs/dbraw/zinc/54/97/62/599549762.db2.gz BRIQSQDMJCNEOL-JTQLQIEISA-N -1 3 352.329 2.896 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCCOc1cccc(C#N)c1 ZINC000826252010 607390278 /nfs/dbraw/zinc/39/02/78/607390278.db2.gz KJFXOQHUYTWYRC-UHFFFAOYSA-N -1 3 363.377 2.673 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCCOc1cccc(C#N)c1 ZINC000826252010 607390281 /nfs/dbraw/zinc/39/02/81/607390281.db2.gz KJFXOQHUYTWYRC-UHFFFAOYSA-N -1 3 363.377 2.673 20 30 FFEDHM N#CCOc1ccc(Cl)cc1CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000739088232 600321063 /nfs/dbraw/zinc/32/10/63/600321063.db2.gz PWKSSKIRCYPFEJ-OAHLLOKOSA-N -1 3 352.818 2.698 20 30 FFEDHM CN(C(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820453 607440420 /nfs/dbraw/zinc/44/04/20/607440420.db2.gz GKCFYWWXMYBENN-UHFFFAOYSA-N -1 3 364.434 2.635 20 30 FFEDHM CN(C(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820453 607440423 /nfs/dbraw/zinc/44/04/23/607440423.db2.gz GKCFYWWXMYBENN-UHFFFAOYSA-N -1 3 364.434 2.635 20 30 FFEDHM COc1cc(OC)cc([C@H](NCc2ccc(OCC#N)cc2)C(=O)[O-])c1 ZINC000832058334 602170519 /nfs/dbraw/zinc/17/05/19/602170519.db2.gz ZFYMTJXSPKXWJM-SFHVURJKSA-N -1 3 356.378 2.522 20 30 FFEDHM COc1ccc(COC(=O)C=Cc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000826204829 607598442 /nfs/dbraw/zinc/59/84/42/607598442.db2.gz AQMKEDIJIMUTDH-CLFYSBASSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1ccc(COC(=O)C=Cc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000826204829 607598443 /nfs/dbraw/zinc/59/84/43/607598443.db2.gz AQMKEDIJIMUTDH-CLFYSBASSA-N -1 3 361.361 2.504 20 30 FFEDHM COCCN(CC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1)C(=O)[O-] ZINC000739812572 603170383 /nfs/dbraw/zinc/17/03/83/603170383.db2.gz IGXDYCWEAYXZMZ-CQSZACIVSA-N -1 3 373.434 2.921 20 30 FFEDHM N#CC(C(=O)CC[C@@H]1CCCN1C(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000833961747 605488565 /nfs/dbraw/zinc/48/85/65/605488565.db2.gz UQHVKAKISOGQSL-RYUDHWBXSA-N -1 3 363.801 2.910 20 30 FFEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ncc(C(C)(C)C)o1 ZINC000820554877 606170266 /nfs/dbraw/zinc/17/02/66/606170266.db2.gz AOKIZKVZYROFJG-MRVPVSSYSA-N -1 3 370.442 2.854 20 30 FFEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ncc(C(C)(C)C)o1 ZINC000820554877 606170267 /nfs/dbraw/zinc/17/02/67/606170267.db2.gz AOKIZKVZYROFJG-MRVPVSSYSA-N -1 3 370.442 2.854 20 30 FFEDHM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)[C@@H]1C ZINC000820696728 606203613 /nfs/dbraw/zinc/20/36/13/606203613.db2.gz BOWSCIXSTFHQPY-BREBYQMCSA-N -1 3 363.516 2.551 20 30 FFEDHM C[C@@H]1CCC[C@H](NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)[C@@H]1C ZINC000820696728 606203617 /nfs/dbraw/zinc/20/36/17/606203617.db2.gz BOWSCIXSTFHQPY-BREBYQMCSA-N -1 3 363.516 2.551 20 30 FFEDHM Brc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cn1 ZINC000819688633 606205346 /nfs/dbraw/zinc/20/53/46/606205346.db2.gz KXXRTVGXXGLIDZ-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM Brc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cn1 ZINC000819688633 606205347 /nfs/dbraw/zinc/20/53/47/606205347.db2.gz KXXRTVGXXGLIDZ-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM C[C@@H](C#N)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819854229 606287881 /nfs/dbraw/zinc/28/78/81/606287881.db2.gz BCQWHGWMSZWVNG-LBPRGKRZSA-N -1 3 364.434 2.907 20 30 FFEDHM C[C@@H](C#N)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819854229 606287883 /nfs/dbraw/zinc/28/78/83/606287883.db2.gz BCQWHGWMSZWVNG-LBPRGKRZSA-N -1 3 364.434 2.907 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCCC2=O)cc1 ZINC000822923400 606304593 /nfs/dbraw/zinc/30/45/93/606304593.db2.gz QZJGBUDKDIYTNO-FPLPWBNLSA-N -1 3 365.418 2.951 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCCC2=O)cc1 ZINC000822923400 606304595 /nfs/dbraw/zinc/30/45/95/606304595.db2.gz QZJGBUDKDIYTNO-FPLPWBNLSA-N -1 3 365.418 2.951 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000822802007 606445398 /nfs/dbraw/zinc/44/53/98/606445398.db2.gz UDIUWFMPFMARCY-CABCVRRESA-N -1 3 364.434 2.840 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000822802007 606445400 /nfs/dbraw/zinc/44/54/00/606445400.db2.gz UDIUWFMPFMARCY-CABCVRRESA-N -1 3 364.434 2.840 20 30 FFEDHM N#Cc1csc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000822845741 606506257 /nfs/dbraw/zinc/50/62/57/606506257.db2.gz GHKCWKUDQBHQSM-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM N#Cc1csc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000822845741 606506259 /nfs/dbraw/zinc/50/62/59/606506259.db2.gz GHKCWKUDQBHQSM-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819845266 606571511 /nfs/dbraw/zinc/57/15/11/606571511.db2.gz SSKVSWRTCXZZEC-QGZVFWFLSA-N -1 3 352.423 2.573 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819845266 606571512 /nfs/dbraw/zinc/57/15/12/606571512.db2.gz SSKVSWRTCXZZEC-QGZVFWFLSA-N -1 3 352.423 2.573 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(F)c1F ZINC000819743623 606673900 /nfs/dbraw/zinc/67/39/00/606673900.db2.gz MSORVZOUPUKOTE-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(F)c1F ZINC000819743623 606673901 /nfs/dbraw/zinc/67/39/01/606673901.db2.gz MSORVZOUPUKOTE-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM C=C(C)COCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000819723082 606791089 /nfs/dbraw/zinc/79/10/89/606791089.db2.gz XPIPIARZLACISD-UHFFFAOYSA-N -1 3 362.796 2.634 20 30 FFEDHM C=C(C)COCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000819723082 606791091 /nfs/dbraw/zinc/79/10/91/606791091.db2.gz XPIPIARZLACISD-UHFFFAOYSA-N -1 3 362.796 2.634 20 30 FFEDHM C[C@@H](C#N)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819844357 606833792 /nfs/dbraw/zinc/83/37/92/606833792.db2.gz DXTLALJOCMHVPR-LBPRGKRZSA-N -1 3 363.381 2.940 20 30 FFEDHM C[C@@H](C#N)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819844357 606833793 /nfs/dbraw/zinc/83/37/93/606833793.db2.gz DXTLALJOCMHVPR-LBPRGKRZSA-N -1 3 363.381 2.940 20 30 FFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCCCOc2cccc(C#N)c2)n1 ZINC000822427271 606867507 /nfs/dbraw/zinc/86/75/07/606867507.db2.gz HNUWQAMFJDCHEP-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCCCOc2cccc(C#N)c2)n1 ZINC000822427271 606867509 /nfs/dbraw/zinc/86/75/09/606867509.db2.gz HNUWQAMFJDCHEP-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM CC(C)(C#N)c1ccccc1COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819891992 607154695 /nfs/dbraw/zinc/15/46/95/607154695.db2.gz OXBAWOALJMXYCK-UHFFFAOYSA-N -1 3 361.405 2.954 20 30 FFEDHM CC(C)(C#N)c1ccccc1COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819891992 607154696 /nfs/dbraw/zinc/15/46/96/607154696.db2.gz OXBAWOALJMXYCK-UHFFFAOYSA-N -1 3 361.405 2.954 20 30 FFEDHM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000825376498 607796658 /nfs/dbraw/zinc/79/66/58/607796658.db2.gz HVXSMJFJEUMPRA-UHFFFAOYSA-N -1 3 354.320 2.683 20 30 FFEDHM CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000825376498 607796659 /nfs/dbraw/zinc/79/66/59/607796659.db2.gz HVXSMJFJEUMPRA-UHFFFAOYSA-N -1 3 354.320 2.683 20 30 FFEDHM N#Cc1cc(Cl)c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826383767 607835214 /nfs/dbraw/zinc/83/52/14/607835214.db2.gz PFBDJRRBTOBDSV-UHFFFAOYSA-N -1 3 373.203 2.975 20 30 FFEDHM N#Cc1cc(Cl)c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826383767 607835215 /nfs/dbraw/zinc/83/52/15/607835215.db2.gz PFBDJRRBTOBDSV-UHFFFAOYSA-N -1 3 373.203 2.975 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826010519 607842925 /nfs/dbraw/zinc/84/29/25/607842925.db2.gz LXQUCNUODPURKT-ONNFQVAWSA-N -1 3 359.389 2.672 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826010519 607842926 /nfs/dbraw/zinc/84/29/26/607842926.db2.gz LXQUCNUODPURKT-ONNFQVAWSA-N -1 3 359.389 2.672 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000826402266 607884809 /nfs/dbraw/zinc/88/48/09/607884809.db2.gz PZBMFIVLTSESEJ-CMDGGOBGSA-N -1 3 361.361 2.719 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(N2CCOC2=O)c1 ZINC000826402266 607884810 /nfs/dbraw/zinc/88/48/10/607884810.db2.gz PZBMFIVLTSESEJ-CMDGGOBGSA-N -1 3 361.361 2.719 20 30 FFEDHM CC(=NNc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823962134 607964919 /nfs/dbraw/zinc/96/49/19/607964919.db2.gz FZMMKYUTNQUEMT-UHFFFAOYSA-N -1 3 358.203 2.860 20 30 FFEDHM COc1ccc(COc2c(Cl)cc(C#N)cc2OC)cc1-c1nnn[n-]1 ZINC000826206921 607972007 /nfs/dbraw/zinc/97/20/07/607972007.db2.gz RCBYIUXACVCNBO-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM COc1ccc(COc2c(Cl)cc(C#N)cc2OC)cc1-c1nn[n-]n1 ZINC000826206921 607972008 /nfs/dbraw/zinc/97/20/08/607972008.db2.gz RCBYIUXACVCNBO-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM Cn1cnc2cc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)ccc21 ZINC000826365200 608048081 /nfs/dbraw/zinc/04/80/81/608048081.db2.gz FNHCCCGITOYOTO-RIYZIHGNSA-N -1 3 356.389 2.966 20 30 FFEDHM Cn1cnc2cc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)ccc21 ZINC000826365200 608048082 /nfs/dbraw/zinc/04/80/82/608048082.db2.gz FNHCCCGITOYOTO-RIYZIHGNSA-N -1 3 356.389 2.966 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(-c3cccnc3)s2)ccc1-c1nnn[n-]1 ZINC000826384202 608064820 /nfs/dbraw/zinc/06/48/20/608064820.db2.gz LHQFZLYKVUNOLH-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(-c3cccnc3)s2)ccc1-c1nn[n-]n1 ZINC000826384202 608064821 /nfs/dbraw/zinc/06/48/21/608064821.db2.gz LHQFZLYKVUNOLH-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM C=CCC(CC=C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000823887980 608173656 /nfs/dbraw/zinc/17/36/56/608173656.db2.gz CIYMVTOFRAJJLL-UHFFFAOYSA-N -1 3 351.414 2.943 20 30 FFEDHM C=CCC(CC=C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000823887980 608173657 /nfs/dbraw/zinc/17/36/57/608173657.db2.gz CIYMVTOFRAJJLL-UHFFFAOYSA-N -1 3 351.414 2.943 20 30 FFEDHM C=CCNC(=S)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823925640 608289370 /nfs/dbraw/zinc/28/93/70/608289370.db2.gz NFFFONICZOJRIX-UHFFFAOYSA-N -1 3 350.451 2.684 20 30 FFEDHM C=CCNC(=S)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823925640 608289371 /nfs/dbraw/zinc/28/93/71/608289371.db2.gz NFFFONICZOJRIX-UHFFFAOYSA-N -1 3 350.451 2.684 20 30 FFEDHM N#C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2n1 ZINC000826378992 608472827 /nfs/dbraw/zinc/47/28/27/608472827.db2.gz GMIXCQNBLIQLKP-HNNXBMFYSA-N -1 3 355.361 2.661 20 30 FFEDHM N#C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC000826378992 608472828 /nfs/dbraw/zinc/47/28/28/608472828.db2.gz GMIXCQNBLIQLKP-HNNXBMFYSA-N -1 3 355.361 2.661 20 30 FFEDHM FC(F)Oc1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826370222 608537985 /nfs/dbraw/zinc/53/79/85/608537985.db2.gz IWLOJBSFRRJMSM-UHFFFAOYSA-N -1 3 365.731 2.963 20 30 FFEDHM FC(F)Oc1ccccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826370222 608537986 /nfs/dbraw/zinc/53/79/86/608537986.db2.gz IWLOJBSFRRJMSM-UHFFFAOYSA-N -1 3 365.731 2.963 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(Cl)c(C#N)c1 ZINC000826174255 608573547 /nfs/dbraw/zinc/57/35/47/608573547.db2.gz PJTMLIAMURBQJO-UHFFFAOYSA-N -1 3 355.741 2.620 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(Cl)c(C#N)c1 ZINC000826174255 608573548 /nfs/dbraw/zinc/57/35/48/608573548.db2.gz PJTMLIAMURBQJO-UHFFFAOYSA-N -1 3 355.741 2.620 20 30 FFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475491 608878289 /nfs/dbraw/zinc/87/82/89/608878289.db2.gz HVPRJLYKGSTZOZ-OQFOIZHKSA-N -1 3 358.279 2.943 20 30 FFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475491 608878291 /nfs/dbraw/zinc/87/82/91/608878291.db2.gz HVPRJLYKGSTZOZ-OQFOIZHKSA-N -1 3 358.279 2.943 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824035353 609157556 /nfs/dbraw/zinc/15/75/56/609157556.db2.gz XRWMKIJCMXZJSY-SNVBAGLBSA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824035353 609157557 /nfs/dbraw/zinc/15/75/57/609157557.db2.gz XRWMKIJCMXZJSY-SNVBAGLBSA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824514571 609233736 /nfs/dbraw/zinc/23/37/36/609233736.db2.gz OPNJLRRHLXWZAY-ZDUSSCGKSA-N -1 3 358.405 2.913 20 30 FFEDHM C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824514571 609233737 /nfs/dbraw/zinc/23/37/37/609233737.db2.gz OPNJLRRHLXWZAY-ZDUSSCGKSA-N -1 3 358.405 2.913 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000826178505 609271802 /nfs/dbraw/zinc/27/18/02/609271802.db2.gz ALQDJRBNMWOANA-XVNBXDOJSA-N -1 3 369.312 2.819 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000826178505 609271803 /nfs/dbraw/zinc/27/18/03/609271803.db2.gz ALQDJRBNMWOANA-XVNBXDOJSA-N -1 3 369.312 2.819 20 30 FFEDHM Cc1cccc(CCCSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1 ZINC000826297658 609307695 /nfs/dbraw/zinc/30/76/95/609307695.db2.gz OEYQTIQSGQLRJH-UHFFFAOYSA-N -1 3 351.439 2.749 20 30 FFEDHM Cc1cccc(CCCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1 ZINC000826297658 609307697 /nfs/dbraw/zinc/30/76/97/609307697.db2.gz OEYQTIQSGQLRJH-UHFFFAOYSA-N -1 3 351.439 2.749 20 30 FFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 ZINC000823958856 609471282 /nfs/dbraw/zinc/47/12/82/609471282.db2.gz ZIMFPGCOQJYWPR-UHFFFAOYSA-N -1 3 367.800 2.851 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)CC(=O)N2 ZINC000823958856 609471285 /nfs/dbraw/zinc/47/12/85/609471285.db2.gz ZIMFPGCOQJYWPR-UHFFFAOYSA-N -1 3 367.800 2.851 20 30 FFEDHM C=CCNC(=O)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000823925944 609475064 /nfs/dbraw/zinc/47/50/64/609475064.db2.gz RTOJFFGENNCSHJ-UHFFFAOYSA-N -1 3 352.373 2.534 20 30 FFEDHM C=CCNC(=O)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000823925944 609475066 /nfs/dbraw/zinc/47/50/66/609475066.db2.gz RTOJFFGENNCSHJ-UHFFFAOYSA-N -1 3 352.373 2.534 20 30 FFEDHM COc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC000826204111 609512961 /nfs/dbraw/zinc/51/29/61/609512961.db2.gz XXJAQSWATWBLAK-LBPRGKRZSA-N -1 3 350.382 2.778 20 30 FFEDHM COc1ccc(CNc2ccccc2O[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC000826204111 609512962 /nfs/dbraw/zinc/51/29/62/609512962.db2.gz XXJAQSWATWBLAK-LBPRGKRZSA-N -1 3 350.382 2.778 20 30 FFEDHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1ccc[n+]([O-])c1 ZINC000028899985 727888299 /nfs/dbraw/zinc/88/82/99/727888299.db2.gz PNIZXSCPCOSULT-UHFFFAOYSA-N -1 3 360.171 2.504 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2C)ccc1F ZINC000029058104 727891053 /nfs/dbraw/zinc/89/10/53/727891053.db2.gz ZUVYUGQVYXGTFD-UHFFFAOYSA-N -1 3 362.426 2.528 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000044011000 727977754 /nfs/dbraw/zinc/97/77/54/727977754.db2.gz FYMIHFNFTGHKFJ-WOJGMQOQSA-N -1 3 352.843 2.915 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)ccc1Cl ZINC000055590881 728097775 /nfs/dbraw/zinc/09/77/75/728097775.db2.gz NTGMRURMHFBJOD-UHFFFAOYSA-N -1 3 359.798 2.593 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CC2(C)C)ccc1F ZINC000746652630 735501596 /nfs/dbraw/zinc/50/15/96/735501596.db2.gz CSAQRPAMSDKBKU-LBPRGKRZSA-N -1 3 354.447 2.551 20 30 FFEDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1F ZINC000135374740 728738075 /nfs/dbraw/zinc/73/80/75/728738075.db2.gz ZZDPTLFMSHARPY-UHFFFAOYSA-N -1 3 366.345 2.814 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CCCS3)no2)ccc1F ZINC000274144775 729698929 /nfs/dbraw/zinc/69/89/29/729698929.db2.gz MICZIWQUQUUYEE-LBPRGKRZSA-N -1 3 369.443 2.908 20 30 FFEDHM CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000767753080 737364490 /nfs/dbraw/zinc/36/44/90/737364490.db2.gz YZWSXIQLRWKNCF-GFCCVEGCSA-N -1 3 354.428 2.519 20 30 FFEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H](n1cncn1)C(F)(F)F ZINC000864347747 730840836 /nfs/dbraw/zinc/84/08/36/730840836.db2.gz XFJLNQOXRYDRLD-FYEKIPRVSA-N -1 3 363.137 2.969 20 30 FFEDHM C=CCCn1cc(CN[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])nn1 ZINC000656566772 731598894 /nfs/dbraw/zinc/59/88/94/731598894.db2.gz UORGOVKNODQPSE-OAHLLOKOSA-N -1 3 369.252 2.947 20 30 FFEDHM CC1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC(F)(F)C1 ZINC000872666805 731810865 /nfs/dbraw/zinc/81/08/65/731810865.db2.gz BTTUHSPCYBMRDZ-UHFFFAOYSA-N -1 3 365.199 2.787 20 30 FFEDHM COc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(C2CC2)cc1Cl ZINC000880035532 732825844 /nfs/dbraw/zinc/82/58/44/732825844.db2.gz FDQMJPNUHVOWHD-LBPRGKRZSA-N -1 3 353.806 2.728 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccc(C#N)cc1 ZINC000881783795 733107736 /nfs/dbraw/zinc/10/77/36/733107736.db2.gz DKCNGDSZWLBQJT-ZAMGYDSWSA-N -1 3 369.512 2.884 20 30 FFEDHM Cc1cc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)ccc1C#N ZINC000783355638 738801316 /nfs/dbraw/zinc/80/13/16/738801316.db2.gz AEHLSRJUZSNQNA-UHFFFAOYSA-N -1 3 362.382 2.734 20 30 FFEDHM N#Cc1ccc(NC(=S)NCCNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000726475306 734428797 /nfs/dbraw/zinc/42/87/97/734428797.db2.gz QWZUNMYUWMUYRI-UHFFFAOYSA-N -1 3 374.853 2.634 20 30 FFEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(C)C ZINC000729096212 734559287 /nfs/dbraw/zinc/55/92/87/734559287.db2.gz QPBRYNIPZRPFHI-CQSZACIVSA-N -1 3 366.483 2.729 20 30 FFEDHM CCCC[C@@H](CCC)OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000730292498 734625759 /nfs/dbraw/zinc/62/57/59/734625759.db2.gz HCWKTFZXEKPIMX-CYBMUJFWSA-N -1 3 352.456 2.627 20 30 FFEDHM COc1ncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000734079965 734873209 /nfs/dbraw/zinc/87/32/09/734873209.db2.gz GUWXCBQDCGWIOK-LBPRGKRZSA-N -1 3 365.176 2.753 20 30 FFEDHM CN(Cc1ncc(Br)cc1[O-])C[C@@H](O)c1cccc(C#N)c1 ZINC000895142805 734968253 /nfs/dbraw/zinc/96/82/53/734968253.db2.gz UVOQKQJDQCSCFR-MRXNPFEDSA-N -1 3 362.227 2.587 20 30 FFEDHM O=C1[C@@H](NCc2cc(Cl)ccc2OCc2cccnc2)CCCN1[O-] ZINC000895165364 734970294 /nfs/dbraw/zinc/97/02/94/734970294.db2.gz JPDITQYEEWJDCK-INIZCTEOSA-N -1 3 361.829 2.784 20 30 FFEDHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895166481 734970307 /nfs/dbraw/zinc/97/03/07/734970307.db2.gz RGAFSXBVCDHRIY-QGZVFWFLSA-N -1 3 362.861 2.671 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1c(Cl)nc2sccn21 ZINC000741839761 735165062 /nfs/dbraw/zinc/16/50/62/735165062.db2.gz QAXDWXHNZOEESC-UHFFFAOYSA-N -1 3 368.871 2.893 20 30 FFEDHM CCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1S(C)(=O)=O ZINC000901372651 735772030 /nfs/dbraw/zinc/77/20/30/735772030.db2.gz KHTXFJDDLPVYNH-UHFFFAOYSA-N -1 3 351.399 2.823 20 30 FFEDHM COc1cc(C(=O)/C=C\c2c3c(nn2C)CCSC3)c(OC)cc1[O-] ZINC000901485418 735784764 /nfs/dbraw/zinc/78/47/64/735784764.db2.gz JDKLARZVRYXAOA-PLNGDYQASA-N -1 3 360.435 2.828 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C)cc2)ccc1F ZINC000751216375 735854605 /nfs/dbraw/zinc/85/46/05/735854605.db2.gz HWGSDPIMYSMTPX-UHFFFAOYSA-N -1 3 362.426 2.875 20 30 FFEDHM C[C@H](CC(=O)OCC1(C)CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000752546857 735995017 /nfs/dbraw/zinc/99/50/17/735995017.db2.gz RAQXOUUMVBZCBQ-CYBMUJFWSA-N -1 3 364.467 2.627 20 30 FFEDHM COc1cc(C=CC(=O)C2=C(C)N=C3N=NNN3[C@H]2C)cc(Cl)c1[O-] ZINC000752881508 736020152 /nfs/dbraw/zinc/02/01/52/736020152.db2.gz KZPIUYFFBCVOCJ-MOVJSRMASA-N -1 3 361.789 2.856 20 30 FFEDHM Cc1nc2ncnn2c(C)c1CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904187270 736231771 /nfs/dbraw/zinc/23/17/71/736231771.db2.gz HZODYCAWLAESPJ-UHFFFAOYSA-N -1 3 359.817 2.745 20 30 FFEDHM O=C(C1CCN(C(=O)N2CCCC2)CC1)N([O-])Cc1ccccc1Cl ZINC000904189051 736231966 /nfs/dbraw/zinc/23/19/66/736231966.db2.gz YELXZXJBEFHNOV-UHFFFAOYSA-N -1 3 365.861 2.986 20 30 FFEDHM CCCCN([O-])C(=O)[C@@H](CCSC)NC(=O)c1ccccc1OC ZINC000904207037 736233627 /nfs/dbraw/zinc/23/36/27/736233627.db2.gz OJWPAKNRSOOZGW-CQSZACIVSA-N -1 3 354.472 2.565 20 30 FFEDHM C[C@H](c1cccs1)c1noc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000762194336 736802386 /nfs/dbraw/zinc/80/23/86/736802386.db2.gz MMFVKRHIUCDRCS-SNVBAGLBSA-N -1 3 374.447 2.522 20 30 FFEDHM N#Cc1cc(Cl)c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(Cl)c1 ZINC000911851258 737237692 /nfs/dbraw/zinc/23/76/92/737237692.db2.gz BZZWVNVZTNMKBF-SECBINFHSA-N -1 3 351.193 2.923 20 30 FFEDHM C=CC[C@@H]1N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CCCC1(C)C ZINC000768099001 737397659 /nfs/dbraw/zinc/39/76/59/737397659.db2.gz SIBVHNRETVFNEB-INIZCTEOSA-N -1 3 368.474 2.941 20 30 FFEDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(CC#N)cc2)c1C ZINC000769389571 737523577 /nfs/dbraw/zinc/52/35/77/737523577.db2.gz OMKILNQSXCWLNE-UHFFFAOYSA-N -1 3 362.407 2.642 20 30 FFEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)C ZINC000915155098 737610819 /nfs/dbraw/zinc/61/08/19/737610819.db2.gz ASFINSPQPLCEKS-UHFFFAOYSA-N -1 3 356.463 2.939 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCCSC)ccc1F ZINC000774027661 737955080 /nfs/dbraw/zinc/95/50/80/737955080.db2.gz CGJDPXPZDLPJLZ-UHFFFAOYSA-N -1 3 374.503 2.553 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1cccc2ccccc21 ZINC000921386594 737974478 /nfs/dbraw/zinc/97/44/78/737974478.db2.gz QLFZITORNUJCRX-QGZVFWFLSA-N -1 3 360.435 2.667 20 30 FFEDHM CS(=O)(=O)c1cccnc1C/N=C/c1cc(Br)ccc1[O-] ZINC000775740633 738119909 /nfs/dbraw/zinc/11/99/09/738119909.db2.gz MVZOKKGNYWRTHS-LZYBPNLTSA-N -1 3 369.240 2.572 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1F ZINC000789689200 739380727 /nfs/dbraw/zinc/38/07/27/739380727.db2.gz SBTXEIANBURGQO-RDBSUJKOSA-N -1 3 368.474 2.797 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000790914324 739512457 /nfs/dbraw/zinc/51/24/57/739512457.db2.gz YEPVXNFHTZRNGH-UHFFFAOYSA-N -1 3 362.233 2.510 20 30 FFEDHM C#CCOc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)c1 ZINC000793392652 739776845 /nfs/dbraw/zinc/77/68/45/739776845.db2.gz RGFAOQAFDGZTPR-UHFFFAOYSA-N -1 3 365.451 2.564 20 30 FFEDHM COCc1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)no1 ZINC000794889093 739939317 /nfs/dbraw/zinc/93/93/17/739939317.db2.gz WCGHITOCSMMEJJ-UHFFFAOYSA-N -1 3 361.452 2.876 20 30 FFEDHM COc1cc(C(=O)/C=C\c2c(F)ccc([O-])c2F)ccc1S(C)(=O)=O ZINC000794936712 739944609 /nfs/dbraw/zinc/94/46/09/739944609.db2.gz YTQAZOFINZKFAT-XQRVVYSFSA-N -1 3 368.357 2.979 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795622474 740045585 /nfs/dbraw/zinc/04/55/85/740045585.db2.gz NVZOTZLXKADESK-GFCCVEGCSA-N -1 3 371.256 2.794 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1CCCO1 ZINC000795930632 740081882 /nfs/dbraw/zinc/08/18/82/740081882.db2.gz IDWKCYZPTXLTNH-VXGBXAGGSA-N -1 3 367.776 2.818 20 30 FFEDHM N#Cc1cc(Br)ccc1COC(=O)c1cccc2nn[n-]c21 ZINC000805533998 740983432 /nfs/dbraw/zinc/98/34/32/740983432.db2.gz CHVZTHFVEDJAQD-UHFFFAOYSA-N -1 3 357.167 2.949 20 30 FFEDHM N#Cc1cc(Br)ccc1COC(=O)c1cccc2[n-]nnc21 ZINC000805533998 740983433 /nfs/dbraw/zinc/98/34/33/740983433.db2.gz CHVZTHFVEDJAQD-UHFFFAOYSA-N -1 3 357.167 2.949 20 30 FFEDHM N#Cc1cc(Br)ccc1COC(=O)c1cccc2n[n-]nc21 ZINC000805533998 740983439 /nfs/dbraw/zinc/98/34/39/740983439.db2.gz CHVZTHFVEDJAQD-UHFFFAOYSA-N -1 3 357.167 2.949 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)(C)C ZINC000808481881 741229070 /nfs/dbraw/zinc/22/90/70/741229070.db2.gz FWZWSTWHXFPVFF-HNNXBMFYSA-N -1 3 367.471 2.626 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1nnc2ccccc2n1 ZINC000810532954 741425444 /nfs/dbraw/zinc/42/54/44/741425444.db2.gz WXHGLDHSWXNISQ-SNVBAGLBSA-N -1 3 351.753 2.639 20 30 FFEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cc2n(n1)CCO2 ZINC000810532884 741425544 /nfs/dbraw/zinc/42/55/44/741425544.db2.gz ILFDLJYGUJAVFF-LLVKDONJSA-N -1 3 365.176 2.543 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000812527319 741629930 /nfs/dbraw/zinc/62/99/30/741629930.db2.gz NFOPUXDYDMVIMS-AWEZNQCLSA-N -1 3 352.318 2.526 20 30 FFEDHM CC1(C)CC(=N[N-]S(=O)(=O)Cc2ccccc2)c2ccc(O)cc2O1 ZINC000814816001 741867270 /nfs/dbraw/zinc/86/72/70/741867270.db2.gz HHUJJJVSPOWPIB-UHFFFAOYSA-N -1 3 360.435 2.777 20 30 FFEDHM COCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(Cl)c1 ZINC000814816459 741867599 /nfs/dbraw/zinc/86/75/99/741867599.db2.gz OOXOCASPTMMVSD-UHFFFAOYSA-N -1 3 352.843 2.810 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(C2SCCCS2)cc1 ZINC000816753635 742058906 /nfs/dbraw/zinc/05/89/06/742058906.db2.gz MKYWUBNBJYWXNP-ZDUSSCGKSA-N -1 3 352.481 2.665 20 30 FFEDHM C#CCOc1cccc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c1 ZINC000817351829 742127094 /nfs/dbraw/zinc/12/70/94/742127094.db2.gz OHCMLTDDHBWFBN-IBGZPJMESA-N -1 3 359.447 2.698 20 30 FFEDHM C#CCOc1cccc([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)c1 ZINC000817351830 742127130 /nfs/dbraw/zinc/12/71/30/742127130.db2.gz OHCMLTDDHBWFBN-LJQANCHMSA-N -1 3 359.447 2.698 20 30 FFEDHM N#Cc1ccc(NNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826386196 743383280 /nfs/dbraw/zinc/38/32/80/743383280.db2.gz TVIGYHAPPHVIRK-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM N#Cc1ccc(NNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826386196 743383288 /nfs/dbraw/zinc/38/32/88/743383288.db2.gz TVIGYHAPPHVIRK-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1nc(C#N)c(Cl)s1 ZINC001050047632 743493141 /nfs/dbraw/zinc/49/31/41/743493141.db2.gz SUIFNYXISUUZOE-KOLCDFICSA-N -1 3 362.842 2.771 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000848131438 748850635 /nfs/dbraw/zinc/85/06/35/748850635.db2.gz GINVAUWUIRMPSR-CQSZACIVSA-N -1 3 367.833 2.557 20 30 FFEDHM C=CCOCCN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672002 749919255 /nfs/dbraw/zinc/91/92/55/749919255.db2.gz IOUHVEIDDZCYNP-HZPDHXFCSA-N -1 3 356.388 2.726 20 30 FFEDHM N#CCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000487407178 845916842 /nfs/dbraw/zinc/91/68/42/845916842.db2.gz LDCUUMAIEQKUCU-UHFFFAOYSA-N -1 3 357.151 2.660 20 30 FFEDHM C=CCN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000908945206 939360330 /nfs/dbraw/zinc/36/03/30/939360330.db2.gz CBFCPJUVSZVHGY-IBGZPJMESA-N -1 3 367.449 2.915 20 30 FFEDHM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1 ZINC000735942087 944724017 /nfs/dbraw/zinc/72/40/17/944724017.db2.gz DDGZVMAVVHEIID-UHFFFAOYSA-N -1 3 368.788 2.557 20 30 FFEDHM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1 ZINC000735942087 944724028 /nfs/dbraw/zinc/72/40/28/944724028.db2.gz DDGZVMAVVHEIID-UHFFFAOYSA-N -1 3 368.788 2.557 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(CC)CCOCC1 ZINC000823910168 946514678 /nfs/dbraw/zinc/51/46/78/946514678.db2.gz YISFFPCVOGWQFI-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(CC)CCOCC1 ZINC000823910168 946514689 /nfs/dbraw/zinc/51/46/89/946514689.db2.gz YISFFPCVOGWQFI-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM CC(C)(C#N)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000824059254 946572434 /nfs/dbraw/zinc/57/24/34/946572434.db2.gz QSWYVIXGCCOABF-UHFFFAOYSA-N -1 3 363.377 2.905 20 30 FFEDHM CC(C)(C#N)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000824059254 946572448 /nfs/dbraw/zinc/57/24/48/946572448.db2.gz QSWYVIXGCCOABF-UHFFFAOYSA-N -1 3 363.377 2.905 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCC(C)(C)C#N ZINC000824206933 946623318 /nfs/dbraw/zinc/62/33/18/946623318.db2.gz MBUHKHRIHSTDPC-OAHLLOKOSA-N -1 3 357.414 2.753 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCC(C)(C)C#N ZINC000824206933 946623320 /nfs/dbraw/zinc/62/33/20/946623320.db2.gz MBUHKHRIHSTDPC-OAHLLOKOSA-N -1 3 357.414 2.753 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000824756990 946929645 /nfs/dbraw/zinc/92/96/45/946929645.db2.gz STHRBOVQMKGNMZ-WBMJQRKESA-N -1 3 355.398 2.650 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000824756990 946929651 /nfs/dbraw/zinc/92/96/51/946929651.db2.gz STHRBOVQMKGNMZ-WBMJQRKESA-N -1 3 355.398 2.650 20 30 FFEDHM C=C(C)CCC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573293626 946962967 /nfs/dbraw/zinc/96/29/67/946962967.db2.gz DNWNSZJHUPHERF-BETUJISGSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C(C)CCC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573293626 946962975 /nfs/dbraw/zinc/96/29/75/946962975.db2.gz DNWNSZJHUPHERF-BETUJISGSA-N -1 3 358.421 2.669 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000825039553 947055946 /nfs/dbraw/zinc/05/59/46/947055946.db2.gz TXPMQHDYUXANPQ-CQSZACIVSA-N -1 3 374.408 2.807 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000825039553 947055955 /nfs/dbraw/zinc/05/59/55/947055955.db2.gz TXPMQHDYUXANPQ-CQSZACIVSA-N -1 3 374.408 2.807 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC([C@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573300614 947117825 /nfs/dbraw/zinc/11/78/25/947117825.db2.gz LYOSAYVWQCQLKH-ZDUSSCGKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC([C@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573300614 947117832 /nfs/dbraw/zinc/11/78/32/947117832.db2.gz LYOSAYVWQCQLKH-ZDUSSCGKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@H](CC)C1 ZINC001573300953 947127239 /nfs/dbraw/zinc/12/72/39/947127239.db2.gz WTFPAPXJNMWDMZ-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@H](CC)C1 ZINC001573300953 947127242 /nfs/dbraw/zinc/12/72/42/947127242.db2.gz WTFPAPXJNMWDMZ-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)C(=O)NC1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573304747 947143667 /nfs/dbraw/zinc/14/36/67/947143667.db2.gz GIGGLWPPMHEKKC-UHFFFAOYSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)NC1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573304747 947143674 /nfs/dbraw/zinc/14/36/74/947143674.db2.gz GIGGLWPPMHEKKC-UHFFFAOYSA-N -1 3 369.473 2.622 20 30 FFEDHM CCOc1ccc(C=NOCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000825639512 947268947 /nfs/dbraw/zinc/26/89/47/947268947.db2.gz YTAAQPKSMYXFBY-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM CCOc1ccc(C=NOCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000825639512 947268956 /nfs/dbraw/zinc/26/89/56/947268956.db2.gz YTAAQPKSMYXFBY-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM C=C[C@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N)c1ccccc1 ZINC001573319930 947336744 /nfs/dbraw/zinc/33/67/44/947336744.db2.gz WVBULKLJZDDOML-LLVKDONJSA-N -1 3 352.373 2.886 20 30 FFEDHM C=C[C@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001573319930 947336756 /nfs/dbraw/zinc/33/67/56/947336756.db2.gz WVBULKLJZDDOML-LLVKDONJSA-N -1 3 352.373 2.886 20 30 FFEDHM C=CCCC(=O)N[C@@H](CNc1snc(C)c1-c1nnn[n-]1)C(C)(C)C ZINC001573327466 947390760 /nfs/dbraw/zinc/39/07/60/947390760.db2.gz GDBPOOYMIYJGBE-NSHDSACASA-N -1 3 363.491 2.541 20 30 FFEDHM COC[C@H](C#N)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826147680 947473979 /nfs/dbraw/zinc/47/39/79/947473979.db2.gz HUHVRAQSKGIPPR-INIZCTEOSA-N -1 3 364.409 2.705 20 30 FFEDHM COC[C@H](C#N)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826147680 947473987 /nfs/dbraw/zinc/47/39/87/947473987.db2.gz HUHVRAQSKGIPPR-INIZCTEOSA-N -1 3 364.409 2.705 20 30 FFEDHM C=CCCCn1c(CC)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573335476 947480710 /nfs/dbraw/zinc/48/07/10/947480710.db2.gz OZSUENQBHUHIGC-UHFFFAOYSA-N -1 3 352.446 2.623 20 30 FFEDHM C=CCCCn1c(CC)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573335476 947480716 /nfs/dbraw/zinc/48/07/16/947480716.db2.gz OZSUENQBHUHIGC-UHFFFAOYSA-N -1 3 352.446 2.623 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)=Cc1cccnc1 ZINC001573341117 947528506 /nfs/dbraw/zinc/52/85/06/947528506.db2.gz HQAIILHKZIFCJJ-PTNGSMBKSA-N -1 3 360.421 2.880 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)=Cc1cccnc1 ZINC001573341117 947528516 /nfs/dbraw/zinc/52/85/16/947528516.db2.gz HQAIILHKZIFCJJ-PTNGSMBKSA-N -1 3 360.421 2.880 20 30 FFEDHM COc1ccc(CNc2ccc3cc(C#N)ccc3n2)cc1-c1nnn[n-]1 ZINC000826203978 947605111 /nfs/dbraw/zinc/60/51/11/947605111.db2.gz PSFBVCDDXOPJTQ-UHFFFAOYSA-N -1 3 357.377 2.907 20 30 FFEDHM COc1ccc(CNc2ccc3cc(C#N)ccc3n2)cc1-c1nn[n-]n1 ZINC000826203978 947605118 /nfs/dbraw/zinc/60/51/18/947605118.db2.gz PSFBVCDDXOPJTQ-UHFFFAOYSA-N -1 3 357.377 2.907 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(OC(C)C)c1 ZINC000759835526 971787092 /nfs/dbraw/zinc/78/70/92/971787092.db2.gz RWRPGQBSNGXVLH-CQSZACIVSA-N -1 3 353.378 2.839 20 30 FFEDHM CCn1c2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2[nH]c1=O ZINC000654972194 959221680 /nfs/dbraw/zinc/22/16/80/959221680.db2.gz HJAGMZBMDGFHOZ-ZDUSSCGKSA-N -1 3 364.409 2.570 20 30 FFEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000127964210 966681990 /nfs/dbraw/zinc/68/19/90/966681990.db2.gz JCOLNQNATFLWLJ-AWEZNQCLSA-N -1 3 353.334 2.955 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC(C)C)nn2)cc1 ZINC000158721936 966782960 /nfs/dbraw/zinc/78/29/60/966782960.db2.gz NYHWZWLKSXXDHE-MRXNPFEDSA-N -1 3 353.426 2.848 20 30 FFEDHM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(C#N)s1 ZINC001087552210 968085255 /nfs/dbraw/zinc/08/52/55/968085255.db2.gz SMJIELNGJSUFCD-LSDHHAIUSA-N -1 3 356.451 2.503 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000874900949 1013928044 /nfs/dbraw/zinc/92/80/44/1013928044.db2.gz DAZDDWLLPVZKMG-KRWDZBQOSA-N -1 3 367.380 2.955 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000665395628 970719264 /nfs/dbraw/zinc/71/92/64/970719264.db2.gz OWHJWADWDPNSJN-LPHOPBHVSA-N -1 3 371.481 2.995 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049391333 975091499 /nfs/dbraw/zinc/09/14/99/975091499.db2.gz MNGXULVKDSBUKL-OAHLLOKOSA-N -1 3 360.377 2.696 20 30 FFEDHM CC(C)(CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F ZINC000904186371 980204927 /nfs/dbraw/zinc/20/49/27/980204927.db2.gz XSPZVSXIBHYWLZ-UHFFFAOYSA-N -1 3 372.343 2.869 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](C)c2nc(-c3ccccc3)no2)c1[O-] ZINC000760226811 980436383 /nfs/dbraw/zinc/43/63/83/980436383.db2.gz JRTQCSAMNDMCIU-HMASQMOLSA-N -1 3 352.394 2.861 20 30 FFEDHM COC(=O)C[C@](C)([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccccn1 ZINC000907509095 981259062 /nfs/dbraw/zinc/25/90/62/981259062.db2.gz BZWFMKOHLDHNGO-SFHVURJKSA-N -1 3 373.359 2.640 20 30 FFEDHM N#C[C@@]1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC2CCC1CC2 ZINC000908285938 981406832 /nfs/dbraw/zinc/40/68/32/981406832.db2.gz WTKJPHWNUQMIIT-VSUJBEPISA-N -1 3 371.403 2.624 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)CC1 ZINC000908946888 981575826 /nfs/dbraw/zinc/57/58/26/981575826.db2.gz VWKOOXJGUBNKIT-INIZCTEOSA-N -1 3 359.470 2.884 20 30 FFEDHM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3cccc(C)c3)nn2)cc1 ZINC000127795153 981661465 /nfs/dbraw/zinc/66/14/65/981661465.db2.gz NDOKOIFPQPFHMR-KRWDZBQOSA-N -1 3 359.389 2.845 20 30 FFEDHM CN(Cc1ccccc1)c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000878377658 1015015339 /nfs/dbraw/zinc/01/53/39/1015015339.db2.gz VNZPLBTZEZILKZ-SFHVURJKSA-N -1 3 368.437 2.825 20 30 FFEDHM O=C(Nc1cccc(COc2ccccc2)c1)N[C@H]1CCCN([O-])C1=O ZINC000878388814 1015022419 /nfs/dbraw/zinc/02/24/19/1015022419.db2.gz WURZRMHELWQJEU-KRWDZBQOSA-N -1 3 355.394 2.767 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1c(Cl)nc2ccccn21 ZINC000129927093 985046174 /nfs/dbraw/zinc/04/61/74/985046174.db2.gz SVHYGSDMVNOMMA-NSHDSACASA-N -1 3 368.780 2.957 20 30 FFEDHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000765591898 985214797 /nfs/dbraw/zinc/21/47/97/985214797.db2.gz VFEJMUWULOEBHZ-AWEZNQCLSA-N -1 3 373.796 2.851 20 30 FFEDHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878924721 1015283987 /nfs/dbraw/zinc/28/39/87/1015283987.db2.gz RSXCCCLWTVULCR-WMLDXEAASA-N -1 3 360.458 2.876 20 30 FFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](CO)c1ccccc1 ZINC000922103583 987656933 /nfs/dbraw/zinc/65/69/33/987656933.db2.gz ITCZOTRNGZLONV-IBGZPJMESA-N -1 3 367.449 2.790 20 30 FFEDHM C#CCOc1cccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)c1 ZINC000761781037 987802318 /nfs/dbraw/zinc/80/23/18/987802318.db2.gz BBCIWSFHFWWFMO-UHFFFAOYSA-N -1 3 369.402 2.787 20 30 FFEDHM N#CC(=C([O-])c1ccc(Cn2cncn2)cc1)c1cnc2ccccc2n1 ZINC000682993774 987921324 /nfs/dbraw/zinc/92/13/24/987921324.db2.gz AFAVASRNWNIMMN-MRXNPFEDSA-N -1 3 354.373 2.760 20 30 FFEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000134152752 989519316 /nfs/dbraw/zinc/51/93/16/989519316.db2.gz MVFBVSYJRDWHNP-INIZCTEOSA-N -1 3 371.343 2.628 20 30 FFEDHM C=CCn1cccc1C(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC000994160763 989634578 /nfs/dbraw/zinc/63/45/78/989634578.db2.gz HKCGXTRZTMOPES-HZPDHXFCSA-N -1 3 367.449 2.518 20 30 FFEDHM CCCc1c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1ccc(C)cc1 ZINC000879375948 1015503077 /nfs/dbraw/zinc/50/30/77/1015503077.db2.gz YCIXJZPXUSIVGN-OAHLLOKOSA-N -1 3 371.441 2.635 20 30 FFEDHM COc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000916320674 989777061 /nfs/dbraw/zinc/77/70/61/989777061.db2.gz GDSFYAJJJSALGI-INIZCTEOSA-N -1 3 368.418 2.970 20 30 FFEDHM COc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000916321179 989777246 /nfs/dbraw/zinc/77/72/46/989777246.db2.gz UANBCZPASOGZOU-INIZCTEOSA-N -1 3 368.418 2.970 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)n[n-]2)o1 ZINC000919325062 990613609 /nfs/dbraw/zinc/61/36/09/990613609.db2.gz LAGYCRLZUBUNSF-ZDUSSCGKSA-N -1 3 370.409 2.866 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)[n-]n2)o1 ZINC000919325062 990613610 /nfs/dbraw/zinc/61/36/10/990613610.db2.gz LAGYCRLZUBUNSF-ZDUSSCGKSA-N -1 3 370.409 2.866 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000195150443 990744018 /nfs/dbraw/zinc/74/40/18/990744018.db2.gz BLEHJBZCRPOLDD-UHFFFAOYSA-N -1 3 367.434 2.886 20 30 FFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001598229089 990925737 /nfs/dbraw/zinc/92/57/37/990925737.db2.gz VGXPIHMVMCOIFY-UHFFFAOYSA-N -1 3 369.396 2.600 20 30 FFEDHM COc1cc(OC)cc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000921240871 991022460 /nfs/dbraw/zinc/02/24/60/991022460.db2.gz DHEXRDWAMZHMLO-UHFFFAOYSA-N -1 3 356.378 2.831 20 30 FFEDHM O=C(Nc1ccccc1OCc1ccccc1)N[C@H]1CCCN([O-])C1=O ZINC000880006075 1015729730 /nfs/dbraw/zinc/72/97/30/1015729730.db2.gz VVHGGKSMXJJDGV-INIZCTEOSA-N -1 3 355.394 2.767 20 30 FFEDHM O=C(Nc1ccccc1OCc1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000880006078 1015730079 /nfs/dbraw/zinc/73/00/79/1015730079.db2.gz VVHGGKSMXJJDGV-MRXNPFEDSA-N -1 3 355.394 2.767 20 30 FFEDHM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC2CN3CCC2CC3)cc1 ZINC000727057969 994452170 /nfs/dbraw/zinc/45/21/70/994452170.db2.gz ADULMWVBJVNYBQ-UHFFFAOYSA-N -1 3 370.478 2.981 20 30 FFEDHM COC(=O)Cc1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000731553936 998020765 /nfs/dbraw/zinc/02/07/65/998020765.db2.gz AZPLPGPJYZPBDO-UHFFFAOYSA-N -1 3 368.389 2.529 20 30 FFEDHM CC(C)CN1N=C(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)CCC1=O ZINC000845841567 998671678 /nfs/dbraw/zinc/67/16/78/998671678.db2.gz BDPMLQXDRFOLBG-MRXNPFEDSA-N -1 3 365.433 2.631 20 30 FFEDHM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc21 ZINC000741750217 999741126 /nfs/dbraw/zinc/74/11/26/999741126.db2.gz FKLPCXVHOFXWQC-HNNXBMFYSA-N -1 3 374.404 2.665 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000743045693 999797229 /nfs/dbraw/zinc/79/72/29/999797229.db2.gz UFXSBBFEGKECFH-PKIICXIDSA-N -1 3 356.357 2.957 20 30 FFEDHM Cc1cccc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000745494979 999916531 /nfs/dbraw/zinc/91/65/31/999916531.db2.gz DQZZQIHLXPNHQV-AWEZNQCLSA-N -1 3 372.446 2.556 20 30 FFEDHM O=C(Cc1ccc([O-])c(F)c1)N=C(NO)c1ccc(OC(F)(F)F)cc1 ZINC001144632288 1000186243 /nfs/dbraw/zinc/18/62/43/1000186243.db2.gz HRCMUKVBNJRWDW-UHFFFAOYSA-N -1 3 372.274 2.925 20 30 FFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1cccc(F)c1[N+](=O)[O-] ZINC000790309162 1002331332 /nfs/dbraw/zinc/33/13/32/1002331332.db2.gz WMAQOCOEACRHLA-UHFFFAOYSA-N -1 3 363.236 2.550 20 30 FFEDHM CCCCCCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185637755 1003008347 /nfs/dbraw/zinc/00/83/47/1003008347.db2.gz JXXPJVSJLZVBOL-CYBMUJFWSA-N -1 3 351.476 2.894 20 30 FFEDHM CCCCCCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185637755 1003008357 /nfs/dbraw/zinc/00/83/57/1003008357.db2.gz JXXPJVSJLZVBOL-CYBMUJFWSA-N -1 3 351.476 2.894 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(CCO)cc2)c(C)c1[O-] ZINC001191775000 1003938098 /nfs/dbraw/zinc/93/80/98/1003938098.db2.gz POAKDMWWEIGUKC-UHFFFAOYSA-N -1 3 368.389 2.536 20 30 FFEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001192676401 1004235125 /nfs/dbraw/zinc/23/51/25/1004235125.db2.gz SMDGZCMSBHRJKC-UHFFFAOYSA-N -1 3 356.357 2.884 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccc(OC(F)F)cn1 ZINC001197916427 1004408806 /nfs/dbraw/zinc/40/88/06/1004408806.db2.gz FGHLNLSSQVPPQU-UHFFFAOYSA-N -1 3 353.306 2.655 20 30 FFEDHM Cc1ccc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)[nH]c1=O ZINC001199268831 1004890544 /nfs/dbraw/zinc/89/05/44/1004890544.db2.gz HHIIGYMLIODWQW-UHFFFAOYSA-N -1 3 355.272 2.560 20 30 FFEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc(NCC2CCOCC2)ncn1 ZINC001199440544 1004944384 /nfs/dbraw/zinc/94/43/84/1004944384.db2.gz GZSPYVAIZWOKEQ-UHFFFAOYSA-N -1 3 373.363 2.717 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)c(C)cc1O ZINC001195385148 1004958113 /nfs/dbraw/zinc/95/81/13/1004958113.db2.gz JVQLSYLQUYWOET-UHFFFAOYSA-N -1 3 374.418 2.777 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1cccc(C#N)c1 ZINC000748234314 1016951027 /nfs/dbraw/zinc/95/10/27/1016951027.db2.gz CIJAYJOSHSLCBP-UHFFFAOYSA-N -1 3 363.373 2.506 20 30 FFEDHM CCCCCCCCCCS(=O)(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001201837492 1005277919 /nfs/dbraw/zinc/27/79/19/1005277919.db2.gz XJKLBYSPXSETCN-UHFFFAOYSA-N -1 3 371.463 2.647 20 30 FFEDHM CN(C(=O)COC(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCCc2ccccc21 ZINC000776274890 1005340013 /nfs/dbraw/zinc/34/00/13/1005340013.db2.gz PTVICJZJMXFVPM-IBGZPJMESA-N -1 3 364.401 2.957 20 30 FFEDHM N#CC1(CC(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)CCOCC1 ZINC000850300146 1005803937 /nfs/dbraw/zinc/80/39/37/1005803937.db2.gz KPXTXGXJQVSBHF-UHFFFAOYSA-N -1 3 353.378 2.603 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1cn(C(C)C)nn1 ZINC000851240150 1005868887 /nfs/dbraw/zinc/86/88/87/1005868887.db2.gz DSXHIIFRGLZGQU-ZDUSSCGKSA-N -1 3 357.414 2.685 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000853328378 1006368001 /nfs/dbraw/zinc/36/80/01/1006368001.db2.gz GDKFTIXBYPVKFP-LBPRGKRZSA-N -1 3 358.354 2.997 20 30 FFEDHM CC1(C)CC(=N[N-]S(=O)(=O)CCc2ccccc2)c2cc(N)ccc2O1 ZINC000814860772 1006451870 /nfs/dbraw/zinc/45/18/70/1006451870.db2.gz VJUFOLITUMYZMH-UHFFFAOYSA-N -1 3 373.478 2.696 20 30 FFEDHM N#Cc1ccc(CC2CCN(C(=O)c3cccc4c3[N-]C(=O)C4=O)CC2)cc1 ZINC001152452376 1032169469 /nfs/dbraw/zinc/16/94/69/1032169469.db2.gz DEVUFXPBDVZWSR-UHFFFAOYSA-N -1 3 373.412 2.788 20 30 FFEDHM COc1ccc(Nc2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000816753190 1007191520 /nfs/dbraw/zinc/19/15/20/1007191520.db2.gz BHNBWOROJFJIIV-KRWDZBQOSA-N -1 3 355.394 2.549 20 30 FFEDHM Cc1cccc(COc2cccc(C(=O)N[C@H]3CCCN([O-])C3=O)c2)c1 ZINC000816755569 1007191745 /nfs/dbraw/zinc/19/17/45/1007191745.db2.gz DDBFJADQXFUFNY-SFHVURJKSA-N -1 3 354.406 2.684 20 30 FFEDHM Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CCCN([O-])C2=O)c(C)c1 ZINC000816756408 1007192743 /nfs/dbraw/zinc/19/27/43/1007192743.db2.gz WQUVRLOLMNBPII-HNNXBMFYSA-N -1 3 371.462 2.960 20 30 FFEDHM N=C(c1ccccc1N)N(O)C(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766703 1007264304 /nfs/dbraw/zinc/26/43/04/1007264304.db2.gz NLEULKVJQBPNBE-UHFFFAOYSA-N -1 3 355.272 2.730 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001189887744 1007355938 /nfs/dbraw/zinc/35/59/38/1007355938.db2.gz CBURLNMLSQBMLO-LBPRGKRZSA-N -1 3 351.790 2.712 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnccc2Br)c1 ZINC001190617787 1007705874 /nfs/dbraw/zinc/70/58/74/1007705874.db2.gz PPPQQKSEVVMAPP-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C2 ZINC001190607992 1007719361 /nfs/dbraw/zinc/71/93/61/1007719361.db2.gz HAVIRLSKDNMSNT-OAHLLOKOSA-N -1 3 360.410 2.542 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)CC(C)C ZINC001190609761 1007719544 /nfs/dbraw/zinc/71/95/44/1007719544.db2.gz WLMQXNFAWYINLS-HNNXBMFYSA-N -1 3 358.847 2.733 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cncc(C(F)(F)F)c2)c1 ZINC001190670428 1007726036 /nfs/dbraw/zinc/72/60/36/1007726036.db2.gz JVERGAJBJSKMMB-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(C(F)(F)F)ccn2)c1 ZINC001190669291 1007726124 /nfs/dbraw/zinc/72/61/24/1007726124.db2.gz MCCOVLZHNAQPDP-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)n(C)n2)cc1 ZINC000773978908 1010398825 /nfs/dbraw/zinc/39/88/25/1010398825.db2.gz DNKKHYHQWHIHOI-HNNXBMFYSA-N -1 3 354.410 2.732 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2C[C@@H]2C(F)(F)F)c(C)c1[O-] ZINC001182319278 1010491375 /nfs/dbraw/zinc/49/13/75/1010491375.db2.gz MZTHQLBRJUSZEV-ONGXEEELSA-N -1 3 356.300 2.886 20 30 FFEDHM C#CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001299460511 1012114629 /nfs/dbraw/zinc/11/46/29/1012114629.db2.gz OKVVTLSPSPTWER-RBUKOAKNSA-N -1 3 366.461 2.505 20 30 FFEDHM N#CC(=C([O-])c1cnn(CC2CCCC2)c1)c1nnc2n1CCCCC2 ZINC000870162649 1012227399 /nfs/dbraw/zinc/22/73/99/1012227399.db2.gz LVAFJFDWDXWSCC-MRXNPFEDSA-N -1 3 352.442 2.881 20 30 FFEDHM CO[C@H]1CCn2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)nc2C1 ZINC000870378287 1012340448 /nfs/dbraw/zinc/34/04/48/1012340448.db2.gz FGGMVVAHVXRCMA-NWDGAFQWSA-N -1 3 364.327 2.748 20 30 FFEDHM N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)cc1F ZINC001095189063 1012676089 /nfs/dbraw/zinc/67/60/89/1012676089.db2.gz VGLGCCDFGVYNQQ-MNEFBYGVSA-N -1 3 365.408 2.938 20 30 FFEDHM N#Cc1cnc(N2CC[C@@H]3CCN(C(=O)c4ccccc4[O-])C[C@@H]32)c(F)c1 ZINC001044923910 1019751059 /nfs/dbraw/zinc/75/10/59/1019751059.db2.gz HLRKORDQGYPGMZ-YOEHRIQHSA-N -1 3 366.396 2.539 20 30 FFEDHM CC1CCN(c2ccc(F)cc2NC(=O)N[C@H]2CCCN([O-])C2=O)CC1 ZINC000933253650 1020984587 /nfs/dbraw/zinc/98/45/87/1020984587.db2.gz IYKZAAMCTVFHSD-AWEZNQCLSA-N -1 3 364.421 2.564 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(N2CCCC2)nn1 ZINC001122413775 1023252383 /nfs/dbraw/zinc/25/23/83/1023252383.db2.gz ZZVUHTWDQJQWHF-LBPRGKRZSA-N -1 3 369.812 2.691 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)cn2)cc1 ZINC000753533215 1023347744 /nfs/dbraw/zinc/34/77/44/1023347744.db2.gz NFNWTRFGGNOGSQ-HNNXBMFYSA-N -1 3 351.362 2.528 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CCCOCC ZINC001122608748 1023366135 /nfs/dbraw/zinc/36/61/35/1023366135.db2.gz VXWCTUXKUSPXDD-UHFFFAOYSA-N -1 3 360.462 2.578 20 30 FFEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001122617362 1023371496 /nfs/dbraw/zinc/37/14/96/1023371496.db2.gz XIRUQZHFGCZPPT-CQSZACIVSA-N -1 3 370.486 2.556 20 30 FFEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001122617362 1023371502 /nfs/dbraw/zinc/37/15/02/1023371502.db2.gz XIRUQZHFGCZPPT-CQSZACIVSA-N -1 3 370.486 2.556 20 30 FFEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001122617361 1023371862 /nfs/dbraw/zinc/37/18/62/1023371862.db2.gz XIRUQZHFGCZPPT-AWEZNQCLSA-N -1 3 370.486 2.556 20 30 FFEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001122617361 1023371867 /nfs/dbraw/zinc/37/18/67/1023371867.db2.gz XIRUQZHFGCZPPT-AWEZNQCLSA-N -1 3 370.486 2.556 20 30 FFEDHM CC(=O)Nc1cc(NC(C)=O)cc(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001122715191 1023430071 /nfs/dbraw/zinc/43/00/71/1023430071.db2.gz ZLRJMGIKSUWZNU-OAHLLOKOSA-N -1 3 354.341 2.628 20 30 FFEDHM C#C[C@H](CC)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000754379183 1023462811 /nfs/dbraw/zinc/46/28/11/1023462811.db2.gz JKDVRFJMESWZGE-IEBWSBKVSA-N -1 3 350.418 2.781 20 30 FFEDHM COc1ccc(OCC2N=NC(=S)N2N=Cc2cc(F)ccc2[O-])cc1 ZINC000755533355 1023608125 /nfs/dbraw/zinc/60/81/25/1023608125.db2.gz TWMTVKHIQFZOGA-UHFFFAOYSA-N -1 3 374.397 2.881 20 30 FFEDHM COc1ccc2c(c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000190823389 1023700773 /nfs/dbraw/zinc/70/07/73/1023700773.db2.gz WCRVJWIVFUSIAK-UHFFFAOYSA-N -1 3 365.433 2.932 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C ZINC001121607033 1023877634 /nfs/dbraw/zinc/87/76/34/1023877634.db2.gz HXISTOHEUAMVDA-GJZGRUSLSA-N -1 3 372.473 2.575 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001141462977 1026352137 /nfs/dbraw/zinc/35/21/37/1026352137.db2.gz AYZIALJBXDEBDI-RDQDRAATSA-N -1 3 364.270 2.651 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](CCO)c2ccc(N)cc2)n1 ZINC001161432157 1028168831 /nfs/dbraw/zinc/16/88/31/1028168831.db2.gz ZNAGFUNUSIEUIS-MEBUONCMSA-N -1 3 367.862 2.778 20 30 FFEDHM Cn1c(CNC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)cc2ccccc21 ZINC001154558876 1028353835 /nfs/dbraw/zinc/35/38/35/1028353835.db2.gz BHMRLLJZNVEBOP-UHFFFAOYSA-N -1 3 356.385 2.821 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3cc(C)c([N+](=O)[O-])cc3C#N)C2)n1 ZINC001164131780 1029181770 /nfs/dbraw/zinc/18/17/70/1029181770.db2.gz ZZZTVFWQBAPPLL-CQSZACIVSA-N -1 3 368.397 2.660 20 30 FFEDHM N#CCOc1cccc(CC(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000784419947 1030613355 /nfs/dbraw/zinc/61/33/55/1030613355.db2.gz AKQVVPQFFIMDQL-UHFFFAOYSA-N -1 3 365.345 2.630 20 30 FFEDHM C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2c([O-])c(C)nc3ccccc32)C1 ZINC001149196607 1031455243 /nfs/dbraw/zinc/45/52/43/1031455243.db2.gz LAAJHKSTMYNTLW-CQSZACIVSA-N -1 3 369.421 2.766 20 30 FFEDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2ncc3c(c2C#N)COCC3)c1F ZINC001276481523 1031705375 /nfs/dbraw/zinc/70/53/75/1031705375.db2.gz LKRCRLYHASQEMP-UHFFFAOYSA-N -1 3 356.313 2.634 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(C)nc2onc(C)c21 ZINC001151041725 1031845301 /nfs/dbraw/zinc/84/53/01/1031845301.db2.gz PPFALWRWVBOUIG-UHFFFAOYSA-N -1 3 356.363 2.812 20 30 FFEDHM C#CCN1CCC2(CCN(Cc3cc(Cl)c([O-])cc3F)CC2)C1=O ZINC001277056146 1034319260 /nfs/dbraw/zinc/31/92/60/1034319260.db2.gz CCOPUCYIPKSYOJ-UHFFFAOYSA-N -1 3 350.821 2.632 20 30 FFEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532807 1034724086 /nfs/dbraw/zinc/72/40/86/1034724086.db2.gz VMLQZEXXMDMSMM-OAHLLOKOSA-N -1 3 374.465 2.998 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc(C#N)ccc2[O-])[C@H]2OCCC[C@H]21 ZINC001227346993 1035515038 /nfs/dbraw/zinc/51/50/38/1035515038.db2.gz YRNGYBHZXVJTSB-COXVUDFISA-N -1 3 360.410 2.810 20 30 FFEDHM C=CCOC(=O)N1CCC2(CN(Cc3ccc(F)c(F)c3[O-])C2)CC1 ZINC001233073831 1036321334 /nfs/dbraw/zinc/32/13/34/1036321334.db2.gz DWXQZWIFZYNEHK-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM C[C@H](O)CCCC(=O)Oc1ccc([O-])c2c1C(=O)C(Cl)=C(Cl)C2=O ZINC001229377863 1036640347 /nfs/dbraw/zinc/64/03/47/1036640347.db2.gz FZUJQKXFTRBPSV-ZETCQYMHSA-N -1 3 373.188 2.917 20 30 FFEDHM COC(=O)[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1cccc(F)c1 ZINC001234514349 1037066484 /nfs/dbraw/zinc/06/64/84/1037066484.db2.gz UXRFUKVPEBEQMS-HNNXBMFYSA-N -1 3 353.309 2.639 20 30 FFEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001234511591 1037067699 /nfs/dbraw/zinc/06/76/99/1037067699.db2.gz RMWWJOGSNJKTJU-NSHDSACASA-N -1 3 370.409 2.841 20 30 FFEDHM CCCC#CC(=O)N1CC2(C[C@@H]2C(=O)Nc2nc3c(cccc3[O-])s2)C1 ZINC001277875677 1037135916 /nfs/dbraw/zinc/13/59/16/1037135916.db2.gz FLFMBGBHCXPGGG-GFCCVEGCSA-N -1 3 369.446 2.592 20 30 FFEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C(=O)[O-])s1 ZINC001276613712 1038660123 /nfs/dbraw/zinc/66/01/23/1038660123.db2.gz ORKYDIXIONOBGC-SFHVURJKSA-N -1 3 361.467 2.707 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ncc(F)cc2Br)ccc1F ZINC001259412389 1039983681 /nfs/dbraw/zinc/98/36/81/1039983681.db2.gz FQICHMQGAQQDBS-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM COc1cc([O-])c(CN2CC[C@@](C)(C#N)C2)cc1I ZINC001248476522 1040293975 /nfs/dbraw/zinc/29/39/75/1040293975.db2.gz JAWQWKOZTIVRIS-AWEZNQCLSA-N -1 3 372.206 2.741 20 30 FFEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(C#N)c1 ZINC001261052714 1040960198 /nfs/dbraw/zinc/96/01/98/1040960198.db2.gz XWFWAFDXDOSJSM-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](C(C)(C)C)CC1 ZINC001263979959 1042562423 /nfs/dbraw/zinc/56/24/23/1042562423.db2.gz JVWKECKZHPCKAK-QGZVFWFLSA-N -1 3 359.470 2.872 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)nn1 ZINC001265025196 1042839386 /nfs/dbraw/zinc/83/93/86/1042839386.db2.gz KLOFMZDWNPEODD-UHFFFAOYSA-N -1 3 358.402 2.688 20 30 FFEDHM Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cccc([O-])c2F)cc1C#N ZINC001279688920 1043471261 /nfs/dbraw/zinc/47/12/61/1043471261.db2.gz QGKRFKSPXCCYBU-CALCHBBNSA-N -1 3 354.429 2.590 20 30 FFEDHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)N[C@@H]3CCCN([O-])C3=O)sc2C1 ZINC001310635632 1043715118 /nfs/dbraw/zinc/71/51/18/1043715118.db2.gz KJBAOLXGKWMSDC-ZYHUDNBSSA-N -1 3 366.487 2.796 20 30 FFEDHM COc1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)ccc1C(=O)[O-] ZINC001240743386 1044418752 /nfs/dbraw/zinc/41/87/52/1044418752.db2.gz MFYGUNASAGMSNP-CYBMUJFWSA-N -1 3 369.377 2.799 20 30 FFEDHM COc1cc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1OC(C)C ZINC001318303392 1045268291 /nfs/dbraw/zinc/26/82/91/1045268291.db2.gz BEEUIKDAOOMEJO-UHFFFAOYSA-N -1 3 360.435 2.721 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC001320555183 1045427761 /nfs/dbraw/zinc/42/77/61/1045427761.db2.gz QILBMGTVWLDQGZ-UHFFFAOYSA-N -1 3 364.358 2.589 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(CC(C)(C)C)o2)ccc1F ZINC001328347349 1048268944 /nfs/dbraw/zinc/26/89/44/1048268944.db2.gz CQDJYQKRUYYRGQ-UHFFFAOYSA-N -1 3 353.419 2.929 20 30 FFEDHM COc1ccc(OC)c2c1NC(=O)C2=N[N-]c1ccc(C(C)(C)C)nn1 ZINC001332258696 1048322211 /nfs/dbraw/zinc/32/22/11/1048322211.db2.gz QLGRNNYYMLQLHW-UHFFFAOYSA-N -1 3 355.398 2.560 20 30 FFEDHM C[C@H](C#N)CN(C)c1nnc(-c2nnc(Cl)[n-]2)n1CCc1ccccc1 ZINC001340752218 1051107664 /nfs/dbraw/zinc/10/76/64/1051107664.db2.gz UZVFEYDXXCBNTN-GFCCVEGCSA-N -1 3 370.848 2.555 20 30 FFEDHM C[C@H](C#N)CN(C)c1nnc(-c2n[n-]c(Cl)n2)n1CCc1ccccc1 ZINC001340752218 1051107669 /nfs/dbraw/zinc/10/76/69/1051107669.db2.gz UZVFEYDXXCBNTN-GFCCVEGCSA-N -1 3 370.848 2.555 20 30 FFEDHM CCN1CCN(c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2F)CC1 ZINC001302857355 1051216409 /nfs/dbraw/zinc/21/64/09/1051216409.db2.gz CZBVGNNWRRRXHX-UHFFFAOYSA-N -1 3 368.412 2.797 20 30 FFEDHM O=C(Cn1ccc(Br)cc1=O)N([O-])Cc1ccccc1Cl ZINC001306893872 1052214260 /nfs/dbraw/zinc/21/42/60/1052214260.db2.gz AYFOUEJNVZOLRF-UHFFFAOYSA-N -1 3 371.618 2.682 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 ZINC001306897068 1052215476 /nfs/dbraw/zinc/21/54/76/1052215476.db2.gz XZQCLDWBCOZCGB-GFCCVEGCSA-N -1 3 366.487 2.860 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2ccccc2)C1 ZINC001344092202 1052590718 /nfs/dbraw/zinc/59/07/18/1052590718.db2.gz JDTJIIADOMTKIY-MRXNPFEDSA-N -1 3 374.448 2.647 20 30 FFEDHM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001346040510 1052718586 /nfs/dbraw/zinc/71/85/86/1052718586.db2.gz VTLQYLICJREVNP-MRXNPFEDSA-N -1 3 369.388 2.591 20 30 FFEDHM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001346040509 1052718751 /nfs/dbraw/zinc/71/87/51/1052718751.db2.gz VTLQYLICJREVNP-INIZCTEOSA-N -1 3 369.388 2.591 20 30 FFEDHM CC#CC[C@@H](NCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC001334852550 1053114907 /nfs/dbraw/zinc/11/49/07/1053114907.db2.gz HJUSGQLQJQTVOQ-HZPDHXFCSA-N -1 3 351.830 2.854 20 30 FFEDHM C[C@@]1(C#N)CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC001338115657 1055245905 /nfs/dbraw/zinc/24/59/05/1055245905.db2.gz NLSQWTGKRBIOMQ-GOSISDBHSA-N -1 3 357.435 2.606 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2cnc[n-]c2=O)n1C[C@@H]1CCCCO1 ZINC001349490122 1055295028 /nfs/dbraw/zinc/29/50/28/1055295028.db2.gz RBNACKGAHDSDSM-HNNXBMFYSA-N -1 3 372.473 2.802 20 30 FFEDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338589764 1055649435 /nfs/dbraw/zinc/64/94/35/1055649435.db2.gz VZBGBVNDMBQUCC-KRWDZBQOSA-N -1 3 354.439 2.927 20 30 FFEDHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N(C)C[C@H](C)C#N ZINC001338791265 1055818883 /nfs/dbraw/zinc/81/88/83/1055818883.db2.gz FCVRBWYRESWOJS-CQSZACIVSA-N -1 3 363.425 2.618 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC001339014066 1056016362 /nfs/dbraw/zinc/01/63/62/1056016362.db2.gz CIZHEQXJIAQVPG-KGLIPLIRSA-N -1 3 359.430 2.609 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@]12CCCOC2 ZINC001339383221 1056398926 /nfs/dbraw/zinc/39/89/26/1056398926.db2.gz FYEIQNQLEYAYKG-FQEVSTJZSA-N -1 3 357.454 2.770 20 30 FFEDHM CCCCOc1cc(OCCC)ccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848134386 1059106846 /nfs/dbraw/zinc/10/68/46/1059106846.db2.gz UHHIBIUYXPJWFZ-INIZCTEOSA-N -1 3 364.442 2.764 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001475088641 1060939454 /nfs/dbraw/zinc/93/94/54/1060939454.db2.gz QBJOIVCPSAYTRO-UHFFFAOYSA-N -1 3 366.252 2.768 20 30 FFEDHM C#CCCCCCC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001521654525 1061048221 /nfs/dbraw/zinc/04/82/21/1061048221.db2.gz MZOLRYTXPAKWKP-HTAPYJJXSA-N -1 3 368.477 2.896 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccsc2)ccc1F ZINC001461300768 1061282950 /nfs/dbraw/zinc/28/29/50/1061282950.db2.gz KIFXKNMTORGRII-UHFFFAOYSA-N -1 3 354.428 2.628 20 30 FFEDHM C#CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1 ZINC001463720474 1062225851 /nfs/dbraw/zinc/22/58/51/1062225851.db2.gz CJQOERXURPXHHL-UHFFFAOYSA-N -1 3 351.374 2.764 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2C(C)(C)C2(C)C)ccc1F ZINC001524239135 1062769240 /nfs/dbraw/zinc/76/92/40/1062769240.db2.gz NHGIECHYRIMUEV-UHFFFAOYSA-N -1 3 368.474 2.702 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OC(F)(F)F)cc1 ZINC001465588155 1063145556 /nfs/dbraw/zinc/14/55/56/1063145556.db2.gz QFWDAMNGOCVBSP-LBPRGKRZSA-N -1 3 352.268 2.991 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cc(C#N)ccc1F ZINC001575188925 1078114626 /nfs/dbraw/zinc/11/46/26/1078114626.db2.gz LCRIDDNEIOGFTK-LBPRGKRZSA-N -1 3 365.368 2.799 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(C#N)ccc1F ZINC001575188925 1078114628 /nfs/dbraw/zinc/11/46/28/1078114628.db2.gz LCRIDDNEIOGFTK-LBPRGKRZSA-N -1 3 365.368 2.799 20 30 FFEDHM CCOC(=O)C1(CC(=O)N([O-])CCCCc2ccccc2)CCOCC1 ZINC001472619777 1065113184 /nfs/dbraw/zinc/11/31/84/1065113184.db2.gz VJFSVNFYINYALR-UHFFFAOYSA-N -1 3 363.454 2.977 20 30 FFEDHM CCCCCCCCNS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001577506540 1078370815 /nfs/dbraw/zinc/37/08/15/1078370815.db2.gz WVJWWEDIBCKHTH-UHFFFAOYSA-N -1 3 355.439 2.645 20 30 FFEDHM CCCCCCCCNS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001577506540 1078370818 /nfs/dbraw/zinc/37/08/18/1078370818.db2.gz WVJWWEDIBCKHTH-UHFFFAOYSA-N -1 3 355.439 2.645 20 30 FFEDHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc(C)c1C#N ZINC001580778437 1078859623 /nfs/dbraw/zinc/85/96/23/1078859623.db2.gz HKCIIGVQCGDUEQ-UHFFFAOYSA-N -1 3 350.357 2.771 20 30 FFEDHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc(C)c1C#N ZINC001580778437 1078859629 /nfs/dbraw/zinc/85/96/29/1078859629.db2.gz HKCIIGVQCGDUEQ-UHFFFAOYSA-N -1 3 350.357 2.771 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001580933424 1078896880 /nfs/dbraw/zinc/89/68/80/1078896880.db2.gz PCGYCCMNWQVNTK-UHFFFAOYSA-N -1 3 350.357 2.757 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001580933424 1078896885 /nfs/dbraw/zinc/89/68/85/1078896885.db2.gz PCGYCCMNWQVNTK-UHFFFAOYSA-N -1 3 350.357 2.757 20 30 FFEDHM Cc1ccc(C#N)cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001581137741 1078923684 /nfs/dbraw/zinc/92/36/84/1078923684.db2.gz GBTJNTMXBHNFSP-UHFFFAOYSA-N -1 3 359.393 2.873 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001581138363 1078923876 /nfs/dbraw/zinc/92/38/76/1078923876.db2.gz XCFKNZDGNDOQNT-BMSUMIBZSA-N -1 3 361.405 2.791 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001581138363 1078923882 /nfs/dbraw/zinc/92/38/82/1078923882.db2.gz XCFKNZDGNDOQNT-BMSUMIBZSA-N -1 3 361.405 2.791 20 30 FFEDHM N#Cc1cn(CCCOc2ccc(-c3nn[n-]n3)cc2)c(=O)c2ccccc12 ZINC001581876664 1079012918 /nfs/dbraw/zinc/01/29/18/1079012918.db2.gz AGWGZOXRMPSHDZ-UHFFFAOYSA-N -1 3 372.388 2.522 20 30 FFEDHM Cc1ccccc1N1CCC[C@H](/N=C\c2c([O-])c(C)ncc2CO)C1=O ZINC001551294528 1074680009 /nfs/dbraw/zinc/68/00/09/1074680009.db2.gz OVGVSEARJGZHPQ-SXOHWRJOSA-N -1 3 353.422 2.511 20 30 FFEDHM C[C@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC001559032756 1076117754 /nfs/dbraw/zinc/11/77/54/1076117754.db2.gz HJLRYJWXLLOFRS-AWEZNQCLSA-N -1 3 352.390 2.694 20 30 FFEDHM C=CCCC1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)CC1 ZINC001572766780 1077356875 /nfs/dbraw/zinc/35/68/75/1077356875.db2.gz CQROUCNGSCSMLP-DOTOQJQBSA-N -1 3 354.450 2.812 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573307853 1077666252 /nfs/dbraw/zinc/66/62/52/1077666252.db2.gz WHXDJGWVCVFGOU-HNAYVOBHSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573307853 1077666255 /nfs/dbraw/zinc/66/62/55/1077666255.db2.gz WHXDJGWVCVFGOU-HNAYVOBHSA-N -1 3 371.489 2.725 20 30 FFEDHM Brc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC001588324439 1079982391 /nfs/dbraw/zinc/98/23/91/1079982391.db2.gz RIXWVXWYOBQHBI-UHFFFAOYSA-N -1 3 371.198 2.838 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccc(F)cc1 ZINC001588329195 1079984962 /nfs/dbraw/zinc/98/49/62/1079984962.db2.gz AFGOTHFRMUMSIA-HNNXBMFYSA-N -1 3 350.357 2.810 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccc(F)cc1 ZINC001588329195 1079984965 /nfs/dbraw/zinc/98/49/65/1079984965.db2.gz AFGOTHFRMUMSIA-HNNXBMFYSA-N -1 3 350.357 2.810 20 30 FFEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccc(Cl)cc1 ZINC001588329674 1079985143 /nfs/dbraw/zinc/98/51/43/1079985143.db2.gz LFLHUYZBTJHZJI-LBPRGKRZSA-N -1 3 373.203 2.673 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001588333793 1079987553 /nfs/dbraw/zinc/98/75/53/1079987553.db2.gz DUODUYKTKYMUTL-OAHLLOKOSA-N -1 3 350.357 2.892 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001588333793 1079987558 /nfs/dbraw/zinc/98/75/58/1079987558.db2.gz DUODUYKTKYMUTL-OAHLLOKOSA-N -1 3 350.357 2.892 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC001588330161 1079987745 /nfs/dbraw/zinc/98/77/45/1079987745.db2.gz WDUNBQNMAFKUHC-HNNXBMFYSA-N -1 3 363.425 2.919 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC001588330161 1079987746 /nfs/dbraw/zinc/98/77/46/1079987746.db2.gz WDUNBQNMAFKUHC-HNNXBMFYSA-N -1 3 363.425 2.919 20 30 FFEDHM C#CCC1(C(=O)N(C)CCc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588334763 1079988893 /nfs/dbraw/zinc/98/88/93/1079988893.db2.gz JYJPHLLWINUTAM-UHFFFAOYSA-N -1 3 351.454 2.841 20 30 FFEDHM C#CCC1(C(=O)N(C)CCc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588334763 1079988899 /nfs/dbraw/zinc/98/88/99/1079988899.db2.gz JYJPHLLWINUTAM-UHFFFAOYSA-N -1 3 351.454 2.841 20 30 FFEDHM C#CCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588338407 1079990651 /nfs/dbraw/zinc/99/06/51/1079990651.db2.gz KVQZIXBKHDXTAV-OLZOCXBDSA-N -1 3 358.421 2.505 20 30 FFEDHM C#CCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588338407 1079990656 /nfs/dbraw/zinc/99/06/56/1079990656.db2.gz KVQZIXBKHDXTAV-OLZOCXBDSA-N -1 3 358.421 2.505 20 30 FFEDHM C#Cc1ccc(C(=O)N2CCC(Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC001588365918 1079995561 /nfs/dbraw/zinc/99/55/61/1079995561.db2.gz IZVXAUBHJHNKEY-UHFFFAOYSA-N -1 3 372.432 2.565 20 30 FFEDHM C#Cc1ccc(C(=O)N2CCC(Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC001588365918 1079995567 /nfs/dbraw/zinc/99/55/67/1079995567.db2.gz IZVXAUBHJHNKEY-UHFFFAOYSA-N -1 3 372.432 2.565 20 30 FFEDHM C#Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)cc1 ZINC001588373833 1079996079 /nfs/dbraw/zinc/99/60/79/1079996079.db2.gz USTNWGDAEDBGKQ-UHFFFAOYSA-N -1 3 350.357 2.617 20 30 FFEDHM C#Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)cc1 ZINC001588373833 1079996083 /nfs/dbraw/zinc/99/60/83/1079996083.db2.gz USTNWGDAEDBGKQ-UHFFFAOYSA-N -1 3 350.357 2.617 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001588391451 1080003592 /nfs/dbraw/zinc/00/35/92/1080003592.db2.gz LSBPOHDZQUOGEA-CYBMUJFWSA-N -1 3 374.514 2.563 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001588391451 1080003602 /nfs/dbraw/zinc/00/36/02/1080003602.db2.gz LSBPOHDZQUOGEA-CYBMUJFWSA-N -1 3 374.514 2.563 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588416661 1080020901 /nfs/dbraw/zinc/02/09/01/1080020901.db2.gz XNEGZIYNXIYPJQ-HUUCEWRRSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588416661 1080020909 /nfs/dbraw/zinc/02/09/09/1080020909.db2.gz XNEGZIYNXIYPJQ-HUUCEWRRSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCNS(=O)(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588424433 1080023052 /nfs/dbraw/zinc/02/30/52/1080023052.db2.gz IUFMELJITJRBDP-UHFFFAOYSA-N -1 3 363.468 2.634 20 30 FFEDHM C=C(C)CCNS(=O)(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588424433 1080023059 /nfs/dbraw/zinc/02/30/59/1080023059.db2.gz IUFMELJITJRBDP-UHFFFAOYSA-N -1 3 363.468 2.634 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC001588426330 1080024486 /nfs/dbraw/zinc/02/44/86/1080024486.db2.gz SUEFHNZMWHMUAH-UHFFFAOYSA-N -1 3 369.425 2.539 20 30 FFEDHM C=C1CCC(CNC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001588462382 1080037837 /nfs/dbraw/zinc/03/78/37/1080037837.db2.gz MOIAJXNAYBMWBT-KRWDZBQOSA-N -1 3 352.442 2.900 20 30 FFEDHM C=C1CCC(CNC(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001588462382 1080037847 /nfs/dbraw/zinc/03/78/47/1080037847.db2.gz MOIAJXNAYBMWBT-KRWDZBQOSA-N -1 3 352.442 2.900 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588484689 1080047469 /nfs/dbraw/zinc/04/74/69/1080047469.db2.gz KTENRKUQJLFHTM-UHFFFAOYSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588484689 1080047480 /nfs/dbraw/zinc/04/74/80/1080047480.db2.gz KTENRKUQJLFHTM-UHFFFAOYSA-N -1 3 355.442 2.839 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588491024 1080052469 /nfs/dbraw/zinc/05/24/69/1080052469.db2.gz CCRYBBACQPUCOY-LIRRHRJNSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588491024 1080052476 /nfs/dbraw/zinc/05/24/76/1080052476.db2.gz CCRYBBACQPUCOY-LIRRHRJNSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588495919 1080058599 /nfs/dbraw/zinc/05/85/99/1080058599.db2.gz JWLIJQMOLHUABZ-SEDUGSJDSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588495919 1080058609 /nfs/dbraw/zinc/05/86/09/1080058609.db2.gz JWLIJQMOLHUABZ-SEDUGSJDSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@](C)(O)C(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001588499003 1080060574 /nfs/dbraw/zinc/06/05/74/1080060574.db2.gz GBJGVBSFSMIHAF-SFHVURJKSA-N -1 3 367.434 2.893 20 30 FFEDHM C=C[C@](C)(O)C(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001588499003 1080060583 /nfs/dbraw/zinc/06/05/83/1080060583.db2.gz GBJGVBSFSMIHAF-SFHVURJKSA-N -1 3 367.434 2.893 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588518841 1080070174 /nfs/dbraw/zinc/07/01/74/1080070174.db2.gz MDSFQKOYEKBMPP-BBRMVZONSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588518841 1080070181 /nfs/dbraw/zinc/07/01/81/1080070181.db2.gz MDSFQKOYEKBMPP-BBRMVZONSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](C)ONC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001588519337 1080071801 /nfs/dbraw/zinc/07/18/01/1080071801.db2.gz XZRICYIODMEXML-LLVKDONJSA-N -1 3 370.438 2.901 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588521860 1080074550 /nfs/dbraw/zinc/07/45/50/1080074550.db2.gz VATWMKDIKBWPLK-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588521860 1080074558 /nfs/dbraw/zinc/07/45/58/1080074558.db2.gz VATWMKDIKBWPLK-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588522677 1080075662 /nfs/dbraw/zinc/07/56/62/1080075662.db2.gz FEGMLYUUOUUHDU-UONOGXRCSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588522677 1080075669 /nfs/dbraw/zinc/07/56/69/1080075669.db2.gz FEGMLYUUOUUHDU-UONOGXRCSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@H](COC)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588526587 1080078453 /nfs/dbraw/zinc/07/84/53/1080078453.db2.gz ZDZOUWBQRRSLMJ-OAHLLOKOSA-N -1 3 365.393 2.590 20 30 FFEDHM C=C[C@H](COC)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588526587 1080078460 /nfs/dbraw/zinc/07/84/60/1080078460.db2.gz ZDZOUWBQRRSLMJ-OAHLLOKOSA-N -1 3 365.393 2.590 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001588567697 1080101606 /nfs/dbraw/zinc/10/16/06/1080101606.db2.gz XBBMZPNJSUAVMX-QWHCGFSZSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001588567697 1080101609 /nfs/dbraw/zinc/10/16/09/1080101609.db2.gz XBBMZPNJSUAVMX-QWHCGFSZSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588588658 1080112502 /nfs/dbraw/zinc/11/25/02/1080112502.db2.gz VZWUEIXENXRFBJ-CABCVRRESA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588588658 1080112506 /nfs/dbraw/zinc/11/25/06/1080112506.db2.gz VZWUEIXENXRFBJ-CABCVRRESA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCCCN(C)C(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588593389 1080115492 /nfs/dbraw/zinc/11/54/92/1080115492.db2.gz CXMFCOBJDXQBMV-UHFFFAOYSA-N -1 3 365.441 2.871 20 30 FFEDHM C=CCCCCCN(C)C(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588593389 1080115494 /nfs/dbraw/zinc/11/54/94/1080115494.db2.gz CXMFCOBJDXQBMV-UHFFFAOYSA-N -1 3 365.441 2.871 20 30 FFEDHM C=CCCCCCNC(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588596225 1080116898 /nfs/dbraw/zinc/11/68/98/1080116898.db2.gz JRQIEUDPYLZHLB-QGZVFWFLSA-N -1 3 370.457 2.696 20 30 FFEDHM C=CCCCCCNC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588596225 1080116901 /nfs/dbraw/zinc/11/69/01/1080116901.db2.gz JRQIEUDPYLZHLB-QGZVFWFLSA-N -1 3 370.457 2.696 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C/C=C\CC ZINC001588626532 1080127678 /nfs/dbraw/zinc/12/76/78/1080127678.db2.gz JDCBFUCGJQPIOM-SREVYHEPSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C/C=C\CC ZINC001588626532 1080127681 /nfs/dbraw/zinc/12/76/81/1080127681.db2.gz JDCBFUCGJQPIOM-SREVYHEPSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCN(CCC#N)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588632181 1080129661 /nfs/dbraw/zinc/12/96/61/1080129661.db2.gz LZHJATWVFRTONR-UHFFFAOYSA-N -1 3 358.409 2.882 20 30 FFEDHM C=CCN(CCC#N)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588632181 1080129668 /nfs/dbraw/zinc/12/96/68/1080129668.db2.gz LZHJATWVFRTONR-UHFFFAOYSA-N -1 3 358.409 2.882 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(F)c1 ZINC001588640670 1080133043 /nfs/dbraw/zinc/13/30/43/1080133043.db2.gz XJQHRTPINAMMOE-UHFFFAOYSA-N -1 3 351.385 2.763 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(F)c1 ZINC001588640670 1080133048 /nfs/dbraw/zinc/13/30/48/1080133048.db2.gz XJQHRTPINAMMOE-UHFFFAOYSA-N -1 3 351.385 2.763 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)C(F)F ZINC001588641955 1080134668 /nfs/dbraw/zinc/13/46/68/1080134668.db2.gz QMICCSUTTQYQAJ-CYBMUJFWSA-N -1 3 350.373 2.608 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC)C(F)F ZINC001588641955 1080134671 /nfs/dbraw/zinc/13/46/71/1080134671.db2.gz QMICCSUTTQYQAJ-CYBMUJFWSA-N -1 3 350.373 2.608 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2OC)nnc1N(CC)C(C)C ZINC001588697510 1080159220 /nfs/dbraw/zinc/15/92/20/1080159220.db2.gz XRFREJXDSMPEKQ-UHFFFAOYSA-N -1 3 368.445 2.555 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2OC)nnc1N(CC)C(C)C ZINC001588697510 1080159223 /nfs/dbraw/zinc/15/92/23/1080159223.db2.gz XRFREJXDSMPEKQ-UHFFFAOYSA-N -1 3 368.445 2.555 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001588777417 1080192022 /nfs/dbraw/zinc/19/20/22/1080192022.db2.gz UQXLRWZXSCFBEJ-UHFFFAOYSA-N -1 3 351.267 2.654 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001588777417 1080192026 /nfs/dbraw/zinc/19/20/26/1080192026.db2.gz UQXLRWZXSCFBEJ-UHFFFAOYSA-N -1 3 351.267 2.654 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588782092 1080193498 /nfs/dbraw/zinc/19/34/98/1080193498.db2.gz PEVAWDJSSMWUCW-UHFFFAOYSA-N -1 3 350.386 2.761 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588782092 1080193502 /nfs/dbraw/zinc/19/35/02/1080193502.db2.gz PEVAWDJSSMWUCW-UHFFFAOYSA-N -1 3 350.386 2.761 20 30 FFEDHM C[C@@H](C#N)OCCOc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588933854 1080271242 /nfs/dbraw/zinc/27/12/42/1080271242.db2.gz APNLGGLBHQAHES-ZDUSSCGKSA-N -1 3 351.366 2.966 20 30 FFEDHM C[C@@H](C#N)OCCOc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588933854 1080271251 /nfs/dbraw/zinc/27/12/51/1080271251.db2.gz APNLGGLBHQAHES-ZDUSSCGKSA-N -1 3 351.366 2.966 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001589035981 1080317347 /nfs/dbraw/zinc/31/73/47/1080317347.db2.gz GEHMNAONSQWHKL-UHFFFAOYSA-N -1 3 358.405 2.871 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001589035981 1080317351 /nfs/dbraw/zinc/31/73/51/1080317351.db2.gz GEHMNAONSQWHKL-UHFFFAOYSA-N -1 3 358.405 2.871 20 30 FFEDHM CC(C)(C)OC(=O)N(CCNc1c(C#N)cccc1-c1nnn[n-]1)C1CC1 ZINC001589155352 1080388957 /nfs/dbraw/zinc/38/89/57/1080388957.db2.gz VYUYSRALSUUCHP-UHFFFAOYSA-N -1 3 369.429 2.550 20 30 FFEDHM CC(C)(C)OC(=O)N(CCNc1c(C#N)cccc1-c1nn[n-]n1)C1CC1 ZINC001589155352 1080388961 /nfs/dbraw/zinc/38/89/61/1080388961.db2.gz VYUYSRALSUUCHP-UHFFFAOYSA-N -1 3 369.429 2.550 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001589203430 1080415576 /nfs/dbraw/zinc/41/55/76/1080415576.db2.gz PHONSIITNARDCI-NWDGAFQWSA-N -1 3 369.429 2.858 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001589203430 1080415580 /nfs/dbraw/zinc/41/55/80/1080415580.db2.gz PHONSIITNARDCI-NWDGAFQWSA-N -1 3 369.429 2.858 20 30 FFEDHM CC(C)=CCC[C@@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589370450 1080506890 /nfs/dbraw/zinc/50/68/90/1080506890.db2.gz AWEUXFRPOXGOSG-PBHICJAKSA-N -1 3 352.442 2.800 20 30 FFEDHM C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589389143 1080512616 /nfs/dbraw/zinc/51/26/16/1080512616.db2.gz WMGUFYGABMGNNL-CGTJXYLNSA-N -1 3 369.465 2.518 20 30 FFEDHM CC(C)C[C@@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001589572271 1080611295 /nfs/dbraw/zinc/61/12/95/1080611295.db2.gz NOKMLMCVSIDAOM-FUHWJXTLSA-N -1 3 366.469 2.834 20 30 FFEDHM CC(C)CN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001589612913 1080635616 /nfs/dbraw/zinc/63/56/16/1080635616.db2.gz NKILAVBJTZVEGT-UHFFFAOYSA-N -1 3 360.421 2.970 20 30 FFEDHM CC(C)CN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001589612913 1080635619 /nfs/dbraw/zinc/63/56/19/1080635619.db2.gz NKILAVBJTZVEGT-UHFFFAOYSA-N -1 3 360.421 2.970 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001589889533 1080834927 /nfs/dbraw/zinc/83/49/27/1080834927.db2.gz KEXAIOKNWDPQJV-GFCCVEGCSA-N -1 3 355.373 2.602 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001589894087 1080839634 /nfs/dbraw/zinc/83/96/34/1080839634.db2.gz MFVCQBNZJBYTIM-KBPBESRZSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001589894087 1080839641 /nfs/dbraw/zinc/83/96/41/1080839641.db2.gz MFVCQBNZJBYTIM-KBPBESRZSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589897808 1080846489 /nfs/dbraw/zinc/84/64/89/1080846489.db2.gz ZPRPGNQECWDIST-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589897808 1080846491 /nfs/dbraw/zinc/84/64/91/1080846491.db2.gz ZPRPGNQECWDIST-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(C#N)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001589936946 1080881910 /nfs/dbraw/zinc/88/19/10/1080881910.db2.gz KQZFHGDTXANHMF-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(C#N)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001589936946 1080881925 /nfs/dbraw/zinc/88/19/25/1080881925.db2.gz KQZFHGDTXANHMF-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589945282 1080889906 /nfs/dbraw/zinc/88/99/06/1080889906.db2.gz PNEDJEVWPSIUQO-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589945282 1080889909 /nfs/dbraw/zinc/88/99/09/1080889909.db2.gz PNEDJEVWPSIUQO-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM CC1(C)CCC[C@@H]1CCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590095549 1081007715 /nfs/dbraw/zinc/00/77/15/1081007715.db2.gz LQLLFKKGRYLEIT-IAGOWNOFSA-N -1 3 366.469 2.882 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@](C)(CN=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590119756 1081027222 /nfs/dbraw/zinc/02/72/22/1081027222.db2.gz HRGBVKGMRIRANG-SFHVURJKSA-N -1 3 371.445 2.912 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@](C)(CN=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590119756 1081027232 /nfs/dbraw/zinc/02/72/32/1081027232.db2.gz HRGBVKGMRIRANG-SFHVURJKSA-N -1 3 371.445 2.912 20 30 FFEDHM C=CCN(CC=C)[C@@H](CNC(=O)N=c1nc2nc(C)cc(C)n2[n-]1)C(C)C ZINC000508056217 538925773 /nfs/dbraw/zinc/92/57/73/538925773.db2.gz WEUXKAZTVVTTPN-INIZCTEOSA-N -1 3 371.489 2.561 20 30 FFEDHM Cc1c(Cl)cnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1C#N ZINC000272976104 252179363 /nfs/dbraw/zinc/17/93/63/252179363.db2.gz ABKXLDSOKCDWTD-UHFFFAOYSA-N -1 3 356.813 2.583 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1C[C@H](C)O ZINC000287520548 257093854 /nfs/dbraw/zinc/09/38/54/257093854.db2.gz VGCVIXIXUMAERA-BBRMVZONSA-N -1 3 359.470 2.750 20 30 FFEDHM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccco1 ZINC000288208414 257160431 /nfs/dbraw/zinc/16/04/31/257160431.db2.gz CVOJGKFEFFTTNK-KRWDZBQOSA-N -1 3 362.451 2.985 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000330688989 258168483 /nfs/dbraw/zinc/16/84/83/258168483.db2.gz VMAMLWGHOMUFOY-NSHDSACASA-N -1 3 373.272 2.558 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)CN2CCCCCCC2=O)n[n-]1 ZINC000052779173 506249945 /nfs/dbraw/zinc/24/99/45/506249945.db2.gz ZJVNLFTWQLHIII-UHFFFAOYSA-N -1 3 357.414 2.861 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(Cl)c1 ZINC000410381525 512250361 /nfs/dbraw/zinc/25/03/61/512250361.db2.gz IVPORFSAQJGCPI-UHFFFAOYSA-N -1 3 370.217 2.765 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000055656458 506815947 /nfs/dbraw/zinc/81/59/47/506815947.db2.gz MSIKECJGKFWCHY-SFHVURJKSA-N -1 3 353.397 2.739 20 30 FFEDHM COc1cc(OCC(=O)Nc2nnc(-c3ccco3)[n-]2)ccc1[N+](=O)[O-] ZINC000069128211 507416877 /nfs/dbraw/zinc/41/68/77/507416877.db2.gz YJUBHCFHUMHAHG-UHFFFAOYSA-N -1 3 359.298 2.649 20 30 FFEDHM COc1cc(OCC(=O)Nc2nc(-c3ccco3)n[n-]2)ccc1[N+](=O)[O-] ZINC000069128211 507416883 /nfs/dbraw/zinc/41/68/83/507416883.db2.gz YJUBHCFHUMHAHG-UHFFFAOYSA-N -1 3 359.298 2.649 20 30 FFEDHM COc1cc(OCC(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1[N+](=O)[O-] ZINC000069128211 507416887 /nfs/dbraw/zinc/41/68/87/507416887.db2.gz YJUBHCFHUMHAHG-UHFFFAOYSA-N -1 3 359.298 2.649 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000025590604 507514005 /nfs/dbraw/zinc/51/40/05/507514005.db2.gz QUUQZOIYRNZTDL-GOSISDBHSA-N -1 3 350.422 2.555 20 30 FFEDHM N#Cc1ccsc1NC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976747 507673399 /nfs/dbraw/zinc/67/33/99/507673399.db2.gz WDUHSEHYUJZMAX-MRXNPFEDSA-N -1 3 371.462 2.945 20 30 FFEDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000031776372 507821705 /nfs/dbraw/zinc/82/17/05/507821705.db2.gz XLZUKYFJCZEFCD-UHFFFAOYSA-N -1 3 363.826 2.714 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000073565397 507932387 /nfs/dbraw/zinc/93/23/87/507932387.db2.gz WRLKNELPVUMDFJ-UHFFFAOYSA-N -1 3 364.492 2.631 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cn(Cc3ccccn3)nn2)sc2c1CCCC2 ZINC000073851001 507961380 /nfs/dbraw/zinc/96/13/80/507961380.db2.gz AJMRKAYUBFOUPC-UHFFFAOYSA-N -1 3 364.434 2.786 20 30 FFEDHM CC(C)Oc1cccnc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000079653600 507987577 /nfs/dbraw/zinc/98/75/77/507987577.db2.gz RPZOYJAKKIYUIL-UHFFFAOYSA-N -1 3 362.393 2.633 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000110657676 508040370 /nfs/dbraw/zinc/04/03/70/508040370.db2.gz FCCQRYLAGLWGGC-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000110657676 508040371 /nfs/dbraw/zinc/04/03/71/508040371.db2.gz FCCQRYLAGLWGGC-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000110657676 508040372 /nfs/dbraw/zinc/04/03/72/508040372.db2.gz FCCQRYLAGLWGGC-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM Cn1c2ccc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc2[nH]c1=O ZINC000113651262 508279436 /nfs/dbraw/zinc/27/94/36/508279436.db2.gz RKIWIBLUQFLGOI-NSHDSACASA-N -1 3 360.295 2.770 20 30 FFEDHM Cc1ccccc1CC1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000085479399 508311009 /nfs/dbraw/zinc/31/10/09/508311009.db2.gz IVEBCRBKDRUVHG-UHFFFAOYSA-N -1 3 363.461 2.806 20 30 FFEDHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000133534882 508412413 /nfs/dbraw/zinc/41/24/13/508412413.db2.gz HJIXZRDBDOJXGI-UHFFFAOYSA-N -1 3 372.446 2.649 20 30 FFEDHM CCc1nc([N-]C(=O)c2c(F)cc(C#N)cc2F)sc1C(=O)OC ZINC000127811022 508503877 /nfs/dbraw/zinc/50/38/77/508503877.db2.gz VHODVSLUKUPJTN-UHFFFAOYSA-N -1 3 351.334 2.894 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000157031599 508512844 /nfs/dbraw/zinc/51/28/44/508512844.db2.gz CMRRYZYDZKVVQT-UHFFFAOYSA-N -1 3 369.761 2.737 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000128122279 508550948 /nfs/dbraw/zinc/55/09/48/508550948.db2.gz SLCNQBWZFYEBEO-RHSMWYFYSA-N -1 3 373.453 2.639 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C2(C#N)CCC2)c(F)cc1F ZINC000134766499 508565066 /nfs/dbraw/zinc/56/50/66/508565066.db2.gz XLWURGBKHDKXGO-UHFFFAOYSA-N -1 3 357.382 2.749 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000157462739 508568941 /nfs/dbraw/zinc/56/89/41/508568941.db2.gz YTSWDXGJIQAVEI-KBPBESRZSA-N -1 3 357.391 2.548 20 30 FFEDHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NC1(C#N)CCCCC1 ZINC000117112559 508580426 /nfs/dbraw/zinc/58/04/26/508580426.db2.gz OHYPZNOZAMRVAG-LBPRGKRZSA-N -1 3 356.455 2.690 20 30 FFEDHM COc1cccc2c1CC[C@@H]2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000153570088 508600104 /nfs/dbraw/zinc/60/01/04/508600104.db2.gz VCLHXBOETGKEPF-SFHVURJKSA-N -1 3 365.433 2.608 20 30 FFEDHM N#CCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000129445180 508727911 /nfs/dbraw/zinc/72/79/11/508727911.db2.gz CBFASMQSVFPNSA-HNNXBMFYSA-N -1 3 370.390 2.790 20 30 FFEDHM Cn1ccnc1-c1cc(NC(=O)CCCCOc2cccc(C#N)c2)n[n-]1 ZINC000119448808 508798985 /nfs/dbraw/zinc/79/89/85/508798985.db2.gz IZVRDMZCOARLLU-UHFFFAOYSA-N -1 3 364.409 2.870 20 30 FFEDHM Cn1ccnc1-c1cc(NC(=O)CCCCOc2cccc(C#N)c2)[n-]n1 ZINC000119448808 508798988 /nfs/dbraw/zinc/79/89/88/508798988.db2.gz IZVRDMZCOARLLU-UHFFFAOYSA-N -1 3 364.409 2.870 20 30 FFEDHM C=CCC(CC=C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000150832305 508903850 /nfs/dbraw/zinc/90/38/50/508903850.db2.gz MYOAMLWBNGIJGK-UHFFFAOYSA-N -1 3 352.431 2.973 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000151048284 508946603 /nfs/dbraw/zinc/94/66/03/508946603.db2.gz WUGTXZNNSYGCKJ-GOSISDBHSA-N -1 3 373.453 2.813 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1 ZINC000132390948 509025472 /nfs/dbraw/zinc/02/54/72/509025472.db2.gz PPWSMPZZRSGIMS-UHFFFAOYSA-N -1 3 354.403 2.507 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000156097148 509126007 /nfs/dbraw/zinc/12/60/07/509126007.db2.gz SQVAUTJMRGSSEG-INIZCTEOSA-N -1 3 363.870 2.793 20 30 FFEDHM CC[C@H]1Oc2cc([C@@H](C)/N=C/c3c([O-])c(C)ncc3CO)ccc2NC1=O ZINC000266774195 509187410 /nfs/dbraw/zinc/18/74/10/509187410.db2.gz YYZDTHHUIXIIBM-YVJFXSNGSA-N -1 3 369.421 2.878 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1noc(Cc2ccccc2)n1 ZINC000175878186 509194650 /nfs/dbraw/zinc/19/46/50/509194650.db2.gz HCYASLRVQJNJIP-ZDUSSCGKSA-N -1 3 368.418 2.572 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c(Cl)c1 ZINC000183004838 509541766 /nfs/dbraw/zinc/54/17/66/509541766.db2.gz VUUPTWQEMORJSG-UHFFFAOYSA-N -1 3 370.217 2.765 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000167303092 509629696 /nfs/dbraw/zinc/62/96/96/509629696.db2.gz RMMQCBXZUAWZGT-XZJROXQQSA-N -1 3 366.870 2.838 20 30 FFEDHM Cc1cnccc1CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000167696724 509638663 /nfs/dbraw/zinc/63/86/63/509638663.db2.gz VYSOYPTUJXSCDK-UHFFFAOYSA-N -1 3 369.368 2.802 20 30 FFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000173537117 509644872 /nfs/dbraw/zinc/64/48/72/509644872.db2.gz UFHUHKVZIHCWLH-UHFFFAOYSA-N -1 3 370.352 2.934 20 30 FFEDHM CC(C)[C@@H](C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000264829538 509728887 /nfs/dbraw/zinc/72/88/87/509728887.db2.gz ZCRVTNKKZDTJIB-CYBMUJFWSA-N -1 3 371.890 2.695 20 30 FFEDHM COC(=O)c1csc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000180069962 509737204 /nfs/dbraw/zinc/73/72/04/509737204.db2.gz UAAADNZGSDIEBG-UHFFFAOYSA-N -1 3 373.434 2.591 20 30 FFEDHM COc1ccc([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCCC2)cc1 ZINC000189837762 509779618 /nfs/dbraw/zinc/77/96/18/509779618.db2.gz SXDYLQHNACOPCC-IBGZPJMESA-N -1 3 365.433 2.839 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)c(Cl)c1 ZINC000183652046 509906418 /nfs/dbraw/zinc/90/64/18/509906418.db2.gz FBSMJYCMTMEFGN-UHFFFAOYSA-N -1 3 372.780 2.847 20 30 FFEDHM COc1cc(C=Nn2cnc3ccccc3c2=O)c(Br)cc1[O-] ZINC000254565879 509907649 /nfs/dbraw/zinc/90/76/49/509907649.db2.gz FMPIERONGKDFKK-UHFFFAOYSA-N -1 3 374.194 2.755 20 30 FFEDHM C=CCn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1ccccn1 ZINC000180715583 510069488 /nfs/dbraw/zinc/06/94/88/510069488.db2.gz GBHHBLUYKVYXJI-UHFFFAOYSA-N -1 3 367.434 2.963 20 30 FFEDHM C=CCN(CC=C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000174682261 510248597 /nfs/dbraw/zinc/24/85/97/510248597.db2.gz IGACTIFPBSDRGJ-UHFFFAOYSA-N -1 3 364.467 2.872 20 30 FFEDHM N#Cc1c(F)cccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000187546310 510325149 /nfs/dbraw/zinc/32/51/49/510325149.db2.gz HFCZQUGSJIBAGA-UHFFFAOYSA-N -1 3 367.380 2.894 20 30 FFEDHM CC(C)c1[nH]nc(C(=O)[N-]c2ncccc2OCCCC#N)c1[N+](=O)[O-] ZINC000269377412 510370061 /nfs/dbraw/zinc/37/00/61/510370061.db2.gz INFVBPSAPROVJM-UHFFFAOYSA-N -1 3 358.358 2.771 20 30 FFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c1 ZINC000171835466 510399448 /nfs/dbraw/zinc/39/94/48/510399448.db2.gz JNAZASUAURPCQO-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1OCCCC#N ZINC000277163293 510956021 /nfs/dbraw/zinc/95/60/21/510956021.db2.gz DGXYJJFJPKTBAU-LJQANCHMSA-N -1 3 370.405 2.999 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000331286527 511057226 /nfs/dbraw/zinc/05/72/26/511057226.db2.gz HEHMVIICFPDEMP-UHFFFAOYSA-N -1 3 367.515 2.875 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000271057471 511071187 /nfs/dbraw/zinc/07/11/87/511071187.db2.gz UMQZWLMXWWXPDN-SEIUXOEHSA-N -1 3 373.840 2.632 20 30 FFEDHM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c([O-])c1 ZINC000271441947 511206317 /nfs/dbraw/zinc/20/63/17/511206317.db2.gz RCQLFPQJCVTGRN-CQSZACIVSA-N -1 3 365.437 2.528 20 30 FFEDHM C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc3ccccc3c2[O-])C1=O ZINC000295095528 511279809 /nfs/dbraw/zinc/27/98/09/511279809.db2.gz GMADOYPTBWQKFJ-GOSISDBHSA-N -1 3 352.434 2.723 20 30 FFEDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1 ZINC000291944394 511401593 /nfs/dbraw/zinc/40/15/93/511401593.db2.gz NMHNCKNHYIEDBZ-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM COCCCN1Cc2ccc(/N=C/c3c([O-])c(C)ncc3CO)cc2C1 ZINC000299602902 511665394 /nfs/dbraw/zinc/66/53/94/511665394.db2.gz GOUHSFNPDUFQKW-LSHDLFTRSA-N -1 3 355.438 2.691 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000299628880 511666008 /nfs/dbraw/zinc/66/60/08/511666008.db2.gz KUFPFNLFJIWPFM-ANKPHQHTSA-N -1 3 363.458 2.654 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2ccncc2OCC(F)(F)F)c1[O-] ZINC000281076526 511712020 /nfs/dbraw/zinc/71/20/20/511712020.db2.gz UBKCYRLGGVLZAN-AERZKKPOSA-N -1 3 355.316 2.543 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000320602999 511815478 /nfs/dbraw/zinc/81/54/78/511815478.db2.gz BPDBGUWGLDDFDV-JTQLQIEISA-N -1 3 357.781 2.964 20 30 FFEDHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@@](C)(C#N)CSC)CC2 ZINC000284984423 511957555 /nfs/dbraw/zinc/95/75/55/511957555.db2.gz DZGDQGSCGCGEDB-INIZCTEOSA-N -1 3 352.481 2.547 20 30 FFEDHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1 ZINC000329043303 511973253 /nfs/dbraw/zinc/97/32/53/511973253.db2.gz FAAJZTCBAVUDFI-SUMWQHHRSA-N -1 3 369.425 2.559 20 30 FFEDHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000329417012 512041795 /nfs/dbraw/zinc/04/17/95/512041795.db2.gz FXSZRABSGCAQAF-FUHWJXTLSA-N -1 3 370.453 2.951 20 30 FFEDHM Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000351462387 512051008 /nfs/dbraw/zinc/05/10/08/512051008.db2.gz NVIVXPGTLAXLNG-UHFFFAOYSA-N -1 3 362.397 2.520 20 30 FFEDHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)n1 ZINC000329764650 512094346 /nfs/dbraw/zinc/09/43/46/512094346.db2.gz VYKUNJRLUWPSKT-ZDUSSCGKSA-N -1 3 369.377 2.508 20 30 FFEDHM O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1csc(=O)[n-]1 ZINC000329896206 512106158 /nfs/dbraw/zinc/10/61/58/512106158.db2.gz CJDNUMZZQPWJGT-UHFFFAOYSA-N -1 3 362.407 2.630 20 30 FFEDHM N#CC1(NC(=O)c2cc(F)ccc2[O-])CCN(Cc2ccccc2)CC1 ZINC000371534434 512452133 /nfs/dbraw/zinc/45/21/33/512452133.db2.gz NVOTWNQSEZEXHN-UHFFFAOYSA-N -1 3 353.397 2.819 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3cccc(F)c3)CC2)s1 ZINC000373818924 512520670 /nfs/dbraw/zinc/52/06/70/512520670.db2.gz IVIDWEGFTVOYST-UHFFFAOYSA-N -1 3 365.455 2.706 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1[O-] ZINC000411286441 512562943 /nfs/dbraw/zinc/56/29/43/512562943.db2.gz XCIGHBTYGAONLG-LJQANCHMSA-N -1 3 363.417 2.617 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000369759662 512594271 /nfs/dbraw/zinc/59/42/71/512594271.db2.gz IXAOEVHECVJAFR-IBGZPJMESA-N -1 3 364.449 2.511 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374717662 512969476 /nfs/dbraw/zinc/96/94/76/512969476.db2.gz RLTWPUCHRITJHR-KRWDZBQOSA-N -1 3 364.449 2.695 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(N4CCNC4=O)c3C)nc1-2 ZINC000429567721 513412533 /nfs/dbraw/zinc/41/25/33/513412533.db2.gz YEEGXJJOTISOTF-CQSZACIVSA-N -1 3 374.404 2.594 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)C[C@H](C)C3)nn1 ZINC000415760097 513412738 /nfs/dbraw/zinc/41/27/38/513412738.db2.gz JRWYCNGNNNHJPK-QWRGUYRKSA-N -1 3 359.455 2.796 20 30 FFEDHM N#Cc1ccc(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])cc1F ZINC000421815284 513443141 /nfs/dbraw/zinc/44/31/41/513443141.db2.gz MEAQMXMANHSUMZ-SFHVURJKSA-N -1 3 353.397 2.693 20 30 FFEDHM CCOC(=O)c1ccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000450993541 513445287 /nfs/dbraw/zinc/44/52/87/513445287.db2.gz VYCMJSANUJVCHS-RDTXWAMCSA-N -1 3 364.467 2.755 20 30 FFEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000429862858 513483787 /nfs/dbraw/zinc/48/37/87/513483787.db2.gz AWHGQNYTGTVVCU-UHFFFAOYSA-N -1 3 362.282 2.507 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)F ZINC000451084996 513507479 /nfs/dbraw/zinc/50/74/79/513507479.db2.gz RYDVYCIQUSCJKI-SNVBAGLBSA-N -1 3 353.188 2.643 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000447678623 513539840 /nfs/dbraw/zinc/53/98/40/513539840.db2.gz LBSYINMBACJKMH-LJQANCHMSA-N -1 3 356.426 2.867 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000447678623 513539846 /nfs/dbraw/zinc/53/98/46/513539846.db2.gz LBSYINMBACJKMH-LJQANCHMSA-N -1 3 356.426 2.867 20 30 FFEDHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435426565 513580947 /nfs/dbraw/zinc/58/09/47/513580947.db2.gz IOVVIVJBLKHDMW-GFCCVEGCSA-N -1 3 350.465 2.785 20 30 FFEDHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435431633 513583847 /nfs/dbraw/zinc/58/38/47/513583847.db2.gz JPXUXOLXVSJJJT-CQSZACIVSA-N -1 3 364.448 2.593 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)s1 ZINC000435438612 513588933 /nfs/dbraw/zinc/58/89/33/513588933.db2.gz QQSYJYWWAHXREO-UHFFFAOYSA-N -1 3 351.434 2.815 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000416366473 513735019 /nfs/dbraw/zinc/73/50/19/513735019.db2.gz CHAHZJZJOKVQEB-UHFFFAOYSA-N -1 3 355.257 2.788 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416379825 513741948 /nfs/dbraw/zinc/74/19/48/513741948.db2.gz APLQYIOMPSJHDW-UHFFFAOYSA-N -1 3 370.374 2.811 20 30 FFEDHM C=CCCCNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000448520378 513771652 /nfs/dbraw/zinc/77/16/52/513771652.db2.gz JLYMHRSPQIFTEO-UHFFFAOYSA-N -1 3 353.378 2.689 20 30 FFEDHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)o1 ZINC000442817696 513787466 /nfs/dbraw/zinc/78/74/66/513787466.db2.gz GTRWDIWIAYJXEI-NSHDSACASA-N -1 3 363.395 2.668 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000416534819 513821029 /nfs/dbraw/zinc/82/10/29/513821029.db2.gz YKEOLOIXRSVYNJ-UHFFFAOYSA-N -1 3 374.890 2.973 20 30 FFEDHM COCCN(C)CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000442953808 513826274 /nfs/dbraw/zinc/82/62/74/513826274.db2.gz PNLYDAKQGUGWRY-LJQANCHMSA-N -1 3 367.449 2.703 20 30 FFEDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000443032698 513847729 /nfs/dbraw/zinc/84/77/29/513847729.db2.gz BULDRGIUKDLXAH-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000443092990 513869344 /nfs/dbraw/zinc/86/93/44/513869344.db2.gz HWYWSVVWKFZDRJ-UHFFFAOYSA-N -1 3 363.826 2.649 20 30 FFEDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451658006 513893300 /nfs/dbraw/zinc/89/33/00/513893300.db2.gz WVSIZUPHKABDQD-NSHDSACASA-N -1 3 370.780 2.847 20 30 FFEDHM COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c([O-])c1 ZINC000436556791 513897423 /nfs/dbraw/zinc/89/74/23/513897423.db2.gz LUMVROUMDVGRPV-CQSZACIVSA-N -1 3 369.396 2.810 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000416673699 513900630 /nfs/dbraw/zinc/90/06/30/513900630.db2.gz UPNJKKGDTFDNNB-UHFFFAOYSA-N -1 3 363.317 2.586 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1cccc(F)c1 ZINC000443348303 513946249 /nfs/dbraw/zinc/94/62/49/513946249.db2.gz ASLSPXBRNXYFSQ-HNNXBMFYSA-N -1 3 366.389 2.972 20 30 FFEDHM N#CC1(C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)CCOCC1 ZINC000419918785 513965755 /nfs/dbraw/zinc/96/57/55/513965755.db2.gz AFUDWVFADWAJQS-UHFFFAOYSA-N -1 3 366.171 2.956 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000451804650 513990969 /nfs/dbraw/zinc/99/09/69/513990969.db2.gz VYSVAMCEPFOOCE-UHFFFAOYSA-N -1 3 373.272 2.578 20 30 FFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000451810756 513995366 /nfs/dbraw/zinc/99/53/66/513995366.db2.gz MBAUVFZZKSFTIE-UHFFFAOYSA-N -1 3 372.556 2.943 20 30 FFEDHM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451840246 514016000 /nfs/dbraw/zinc/01/60/00/514016000.db2.gz PLATYTZEGNJANF-RISCZKNCSA-N -1 3 370.858 2.612 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000417028770 514129871 /nfs/dbraw/zinc/12/98/71/514129871.db2.gz VEGSRYKDMGJMFB-ZDUSSCGKSA-N -1 3 350.369 2.752 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1(O)CCCC1 ZINC000452055351 514165419 /nfs/dbraw/zinc/16/54/19/514165419.db2.gz UHDMJFRQKBSQSL-UHFFFAOYSA-N -1 3 356.875 2.821 20 30 FFEDHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000420734363 514267048 /nfs/dbraw/zinc/26/70/48/514267048.db2.gz VZFXTUMYIGFOQB-VXGBXAGGSA-N -1 3 362.373 2.813 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)C(=O)[N-]c1scc(C)c1C(=O)OCC ZINC000427674651 514283901 /nfs/dbraw/zinc/28/39/01/514283901.db2.gz QVADBQDIDCLTGY-LBPRGKRZSA-N -1 3 350.440 2.739 20 30 FFEDHM N#Cc1cnc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(Cl)c1 ZINC000428038317 514383369 /nfs/dbraw/zinc/38/33/69/514383369.db2.gz XNNJABKMSSPWFM-UHFFFAOYSA-N -1 3 368.740 2.579 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(N2CCCC2)c1 ZINC000428406064 514468786 /nfs/dbraw/zinc/46/87/86/514468786.db2.gz OKHGGOJMDVWSAT-AWEZNQCLSA-N -1 3 356.451 2.593 20 30 FFEDHM COC(=O)c1cc(C(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)no1 ZINC000439251165 514513542 /nfs/dbraw/zinc/51/35/42/514513542.db2.gz VOMZDEZSUFSIAO-UHFFFAOYSA-N -1 3 368.374 2.632 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000470824932 514629535 /nfs/dbraw/zinc/62/95/35/514629535.db2.gz QSHLSFHBFSKMCN-UHFFFAOYSA-N -1 3 374.344 2.799 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c(Cl)c1 ZINC000466545465 514684862 /nfs/dbraw/zinc/68/48/62/514684862.db2.gz OBFUTEQHWDHEBQ-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCCC[C@H]1C ZINC000475540023 514707127 /nfs/dbraw/zinc/70/71/27/514707127.db2.gz AFVTZKCFDRQOOQ-OLZOCXBDSA-N -1 3 355.891 2.753 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c1 ZINC000475550186 514712600 /nfs/dbraw/zinc/71/26/00/514712600.db2.gz GXEIBDSZJHGFAI-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)nc2c1 ZINC000503432983 515031356 /nfs/dbraw/zinc/03/13/56/515031356.db2.gz XLDODFQXQYHGPN-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)c(Cl)c1 ZINC000503453896 515039180 /nfs/dbraw/zinc/03/91/80/515039180.db2.gz JUIHWJFXTUMFME-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)n1 ZINC000480703508 515051531 /nfs/dbraw/zinc/05/15/31/515051531.db2.gz ZPJHSERZVOCTEV-UHFFFAOYSA-N -1 3 353.444 2.897 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(C)o1 ZINC000480741643 515067186 /nfs/dbraw/zinc/06/71/86/515067186.db2.gz PCAPWRFQFMOOMM-INIZCTEOSA-N -1 3 366.414 2.796 20 30 FFEDHM CCN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000503525155 515069236 /nfs/dbraw/zinc/06/92/36/515069236.db2.gz AFEPDEWMMVAFDE-ZDUSSCGKSA-N -1 3 372.450 2.548 20 30 FFEDHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000480749880 515069817 /nfs/dbraw/zinc/06/98/17/515069817.db2.gz QINNPGCVUQWZBE-LLVKDONJSA-N -1 3 358.847 2.610 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000503824384 515148241 /nfs/dbraw/zinc/14/82/41/515148241.db2.gz IKKHPVFLLJULQW-AWEZNQCLSA-N -1 3 354.815 2.861 20 30 FFEDHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000462704859 515200076 /nfs/dbraw/zinc/20/00/76/515200076.db2.gz UVNFSIHTTAOCES-QWHCGFSZSA-N -1 3 362.373 2.813 20 30 FFEDHM C=CCC1(CNC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCCC1 ZINC000456490775 515218266 /nfs/dbraw/zinc/21/82/66/515218266.db2.gz XWKOVDKYUQMCAC-LJQANCHMSA-N -1 3 355.438 2.608 20 30 FFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2csc(C(=O)OC)c2)cc1 ZINC000509590121 515247500 /nfs/dbraw/zinc/24/75/00/515247500.db2.gz ZSBRIIQWJIPJQL-UHFFFAOYSA-N -1 3 367.448 2.578 20 30 FFEDHM C=CCCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000504290341 515261934 /nfs/dbraw/zinc/26/19/34/515261934.db2.gz SEAGWJADXLBMAY-UHFFFAOYSA-N -1 3 350.465 2.784 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000481468951 515338274 /nfs/dbraw/zinc/33/82/74/515338274.db2.gz XOAIHIOPCZIIEM-UHFFFAOYSA-N -1 3 368.393 2.741 20 30 FFEDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000486598858 515554632 /nfs/dbraw/zinc/55/46/32/515554632.db2.gz FIZNTOVSUIKJSL-VHSXEESVSA-N -1 3 367.862 2.883 20 30 FFEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000505778728 515668417 /nfs/dbraw/zinc/66/84/17/515668417.db2.gz SVSNITOYYSGPSX-LJQANCHMSA-N -1 3 354.410 2.699 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1c(F)cncc1F ZINC000511027300 515749920 /nfs/dbraw/zinc/74/99/20/515749920.db2.gz IZBGHKQYVPCJFS-QMMMGPOBSA-N -1 3 357.769 2.924 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1c(F)cncc1F ZINC000511036247 515753807 /nfs/dbraw/zinc/75/38/07/515753807.db2.gz VHZWVPJAJZTICG-QMMMGPOBSA-N -1 3 357.769 2.924 20 30 FFEDHM C=CCC1(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CCCCC1 ZINC000457586002 515992928 /nfs/dbraw/zinc/99/29/28/515992928.db2.gz SOQAUCUJXOARIX-UHFFFAOYSA-N -1 3 371.528 2.734 20 30 FFEDHM C=C(C)[C@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1ccc(F)c(F)c1 ZINC000478917360 516008168 /nfs/dbraw/zinc/00/81/68/516008168.db2.gz KFCAOKBOZPKLNE-HNNXBMFYSA-N -1 3 358.348 2.999 20 30 FFEDHM C=CCCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000511922519 516079917 /nfs/dbraw/zinc/07/99/17/516079917.db2.gz FOKGXCBOQOMHSQ-UHFFFAOYSA-N -1 3 374.865 2.620 20 30 FFEDHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000484137099 516303711 /nfs/dbraw/zinc/30/37/11/516303711.db2.gz RUZUXAPBDBNBIN-CYBMUJFWSA-N -1 3 369.377 2.614 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528366590 516383279 /nfs/dbraw/zinc/38/32/79/516383279.db2.gz OYQFUUWYAIQQAJ-SECBINFHSA-N -1 3 352.334 2.564 20 30 FFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557812772 516450920 /nfs/dbraw/zinc/45/09/20/516450920.db2.gz DRFDGZCPYWGZHT-SECBINFHSA-N -1 3 354.229 2.578 20 30 FFEDHM C[C@H]1CC([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H](C)O1 ZINC000517897175 516484693 /nfs/dbraw/zinc/48/46/93/516484693.db2.gz UVZSEQWXLBNVDB-UWVGGRQHSA-N -1 3 373.272 2.555 20 30 FFEDHM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000540321396 516510412 /nfs/dbraw/zinc/51/04/12/516510412.db2.gz PTXIQTWKYGYATG-WCQYABFASA-N -1 3 362.373 2.670 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1 ZINC000528547783 516521207 /nfs/dbraw/zinc/52/12/07/516521207.db2.gz IUWBVKSSQKHWKK-HNNXBMFYSA-N -1 3 353.875 2.507 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3ccc(C#N)cc3)n2)cc1 ZINC000544080766 516572987 /nfs/dbraw/zinc/57/29/87/516572987.db2.gz BIUHWUIOWZKDMY-UHFFFAOYSA-N -1 3 354.391 2.571 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000540538407 516607511 /nfs/dbraw/zinc/60/75/11/516607511.db2.gz HXFREYVHNRIXKN-AWEZNQCLSA-N -1 3 354.454 2.934 20 30 FFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cc1 ZINC000551554792 516757282 /nfs/dbraw/zinc/75/72/82/516757282.db2.gz IAVWRULSFPIRFZ-UHFFFAOYSA-N -1 3 366.801 2.653 20 30 FFEDHM CC1CC(C#N)(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000532080619 516789673 /nfs/dbraw/zinc/78/96/73/516789673.db2.gz ARQIZRCHFRYULM-UHFFFAOYSA-N -1 3 367.446 2.781 20 30 FFEDHM Cc1ccc2c(CN3CCN(c4ccc(C#N)cn4)CC3)ccc([O-])c2n1 ZINC000513899944 516791935 /nfs/dbraw/zinc/79/19/35/516791935.db2.gz NCIFPHBWXOHDJR-UHFFFAOYSA-N -1 3 359.433 2.838 20 30 FFEDHM N#CC(=C([O-])c1ccccc1SCC(=O)N1CCCC1)c1ccncn1 ZINC000544818053 516942135 /nfs/dbraw/zinc/94/21/35/516942135.db2.gz NQTWZFIEHIMJDC-HNNXBMFYSA-N -1 3 366.446 2.681 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C)cn1 ZINC000532618489 517066217 /nfs/dbraw/zinc/06/62/17/517066217.db2.gz UIJVBXQOOZVIOB-UHFFFAOYSA-N -1 3 355.341 2.812 20 30 FFEDHM N#CCCN(CCC#N)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000541572914 517120430 /nfs/dbraw/zinc/12/04/30/517120430.db2.gz PEZBMNCAZYLBBT-UHFFFAOYSA-N -1 3 373.210 2.560 20 30 FFEDHM COC(=O)c1cnc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cn1 ZINC000537752322 517327321 /nfs/dbraw/zinc/32/73/21/517327321.db2.gz LGCOJJOOFVQRMB-NSHDSACASA-N -1 3 356.407 2.767 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000562735438 517353052 /nfs/dbraw/zinc/35/30/52/517353052.db2.gz VGFBNKPJKBJEAD-NEPJUHHUSA-N -1 3 366.664 2.724 20 30 FFEDHM C=CCN(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CC1 ZINC000537991393 517426795 /nfs/dbraw/zinc/42/67/95/517426795.db2.gz PJNRBUKXQLNXFT-UHFFFAOYSA-N -1 3 357.435 2.821 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000516075392 517557291 /nfs/dbraw/zinc/55/72/91/517557291.db2.gz LRDLYVBTVOCRNQ-QGZVFWFLSA-N -1 3 362.393 2.780 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000516075392 517557302 /nfs/dbraw/zinc/55/73/02/517557302.db2.gz LRDLYVBTVOCRNQ-QGZVFWFLSA-N -1 3 362.393 2.780 20 30 FFEDHM C=CCc1cc(OCC)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000530107841 517571582 /nfs/dbraw/zinc/57/15/82/517571582.db2.gz ISGPOCNUEFUBER-MSOLQXFVSA-N -1 3 365.495 2.671 20 30 FFEDHM N#CC1(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCCC1 ZINC000542502624 517597303 /nfs/dbraw/zinc/59/73/03/517597303.db2.gz YLXIQMXKXBWHEY-UHFFFAOYSA-N -1 3 360.211 2.857 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNc3nc(C)ccc3C#N)c2)[n-]1 ZINC000553565490 517786057 /nfs/dbraw/zinc/78/60/57/517786057.db2.gz DRPTWGIAHLFANN-UHFFFAOYSA-N -1 3 362.393 2.836 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNc3nc(C)ccc3C#N)c2)n[n-]1 ZINC000553565490 517786063 /nfs/dbraw/zinc/78/60/63/517786063.db2.gz DRPTWGIAHLFANN-UHFFFAOYSA-N -1 3 362.393 2.836 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c(F)c1 ZINC000530482143 517802321 /nfs/dbraw/zinc/80/23/21/517802321.db2.gz KTADQXBTSXZBDR-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000538896580 517832310 /nfs/dbraw/zinc/83/23/10/517832310.db2.gz JFFOMPWUOOSDIO-GFCCVEGCSA-N -1 3 359.329 2.853 20 30 FFEDHM N#CC(=C([O-])c1cnc2c(cnn2Cc2ccccc2)c1)c1ccncn1 ZINC000546860549 517894539 /nfs/dbraw/zinc/89/45/39/517894539.db2.gz WVRFHVVXINZVFX-QGZVFWFLSA-N -1 3 354.373 2.760 20 30 FFEDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000553911850 517966294 /nfs/dbraw/zinc/96/62/94/517966294.db2.gz SLZMKIIVIZZSIS-AWEZNQCLSA-N -1 3 362.426 2.971 20 30 FFEDHM CCOc1cc([N-]C(=O)c2ccc(C#N)cn2)c([N+](=O)[O-])cc1OCC ZINC000522111497 517988778 /nfs/dbraw/zinc/98/87/78/517988778.db2.gz UYXCMJXEBWGXJS-UHFFFAOYSA-N -1 3 356.338 2.911 20 30 FFEDHM CC[C@H](C)n1[nH]c(=NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000539414507 518037353 /nfs/dbraw/zinc/03/73/53/518037353.db2.gz YJKNBVJAONUJSP-NSHDSACASA-N -1 3 355.442 2.745 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n(-c2ccncc2)n1 ZINC000547271185 518048467 /nfs/dbraw/zinc/04/84/67/518048467.db2.gz IITLRHGPINOADN-UHFFFAOYSA-N -1 3 373.825 2.902 20 30 FFEDHM Cn1ncc2ccc(C[N-]S(=O)(=O)c3cccc(Cl)c3C#N)cc21 ZINC000563660431 518051600 /nfs/dbraw/zinc/05/16/00/518051600.db2.gz MAJWFFHDDRLHQP-UHFFFAOYSA-N -1 3 360.826 2.577 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000530984660 518084286 /nfs/dbraw/zinc/08/42/86/518084286.db2.gz KBRWYHAKUBMQKF-SFHVURJKSA-N -1 3 369.469 2.845 20 30 FFEDHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C2CC2)no1 ZINC000563769285 518115475 /nfs/dbraw/zinc/11/54/75/518115475.db2.gz TVXRMPWNDFOPKR-OAHLLOKOSA-N -1 3 366.830 2.507 20 30 FFEDHM CC[C@H](C)N[C@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccco1 ZINC000581843828 518464714 /nfs/dbraw/zinc/46/47/14/518464714.db2.gz IUPPRAQFWFWYLG-SMDDNHRTSA-N -1 3 374.466 2.833 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCCO1 ZINC000588121013 518729524 /nfs/dbraw/zinc/72/95/24/518729524.db2.gz NMLPKSIJRIJXMT-STQMWFEESA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1ccc2[n-]cc(C(=O)N3CCN(c4ccccc4C#N)CC3)c(=O)c2c1 ZINC000582862964 518959225 /nfs/dbraw/zinc/95/92/25/518959225.db2.gz LTMNVPKGUVIBOU-UHFFFAOYSA-N -1 3 372.428 2.671 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)CC1(C#N)CCC1)Oc1cc(F)cc(F)c1 ZINC000571568784 519160294 /nfs/dbraw/zinc/16/02/94/519160294.db2.gz SAEGSAIGAVMYGS-UHFFFAOYSA-N -1 3 358.410 2.735 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c(F)c1 ZINC000568710879 519174122 /nfs/dbraw/zinc/17/41/22/519174122.db2.gz USUHHDYYLNHFGY-UHFFFAOYSA-N -1 3 362.279 2.732 20 30 FFEDHM CSCCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000574542313 519207584 /nfs/dbraw/zinc/20/75/84/519207584.db2.gz AVHIVRFUAWPSHA-UHFFFAOYSA-N -1 3 363.302 2.742 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000565963526 519220398 /nfs/dbraw/zinc/22/03/98/519220398.db2.gz BQIHCCVIDWDSBU-UHFFFAOYSA-N -1 3 365.252 2.842 20 30 FFEDHM N#CCCn1ccc(=NC(=O)c2cc3cc(Br)sc3[n-]2)[nH]1 ZINC000590432836 519231518 /nfs/dbraw/zinc/23/15/18/519231518.db2.gz CTMVTACPYPGRLB-UHFFFAOYSA-N -1 3 364.228 2.776 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000590748502 519348253 /nfs/dbraw/zinc/34/82/53/519348253.db2.gz CJSSMJYCSSUIOH-LLVKDONJSA-N -1 3 364.402 2.550 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000578171114 519456320 /nfs/dbraw/zinc/45/63/20/519456320.db2.gz JKWKDDIWRWRVNJ-NEPJUHHUSA-N -1 3 364.236 2.518 20 30 FFEDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1 ZINC000591257684 519562992 /nfs/dbraw/zinc/56/29/92/519562992.db2.gz URVGHZNKTIVETO-UHFFFAOYSA-N -1 3 361.423 2.912 20 30 FFEDHM C=CCCOCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000591367645 519609698 /nfs/dbraw/zinc/60/96/98/519609698.db2.gz DFBUQFVNTJGXGD-UHFFFAOYSA-N -1 3 366.361 2.608 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCC(F)(F)CC1 ZINC000594489296 519998591 /nfs/dbraw/zinc/99/85/91/519998591.db2.gz YGKQLQKZURGCQV-SNVBAGLBSA-N -1 3 373.381 2.959 20 30 FFEDHM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000594576594 520035803 /nfs/dbraw/zinc/03/58/03/520035803.db2.gz UYPAOACRJYSKNH-CQSZACIVSA-N -1 3 357.273 2.869 20 30 FFEDHM C[C@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@H](C)N1CC#N ZINC000603093922 520073617 /nfs/dbraw/zinc/07/36/17/520073617.db2.gz UWYWVRXABIYUGR-HOTGVXAUSA-N -1 3 351.450 2.923 20 30 FFEDHM Cc1cccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1[O-] ZINC000594667844 520075539 /nfs/dbraw/zinc/07/55/39/520075539.db2.gz JSQMFFMPVYQGJR-GOSISDBHSA-N -1 3 353.397 2.862 20 30 FFEDHM COc1cccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1[O-] ZINC000603160676 520126568 /nfs/dbraw/zinc/12/65/68/520126568.db2.gz KXFJLRBFYSGPHU-INIZCTEOSA-N -1 3 351.406 2.623 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@H]1CCCCO1 ZINC000594749837 520131430 /nfs/dbraw/zinc/13/14/30/520131430.db2.gz BBHVMPPWKUSPCB-CYBMUJFWSA-N -1 3 350.465 2.929 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(C)C ZINC000594749834 520132538 /nfs/dbraw/zinc/13/25/38/520132538.db2.gz AZRKXKGRWCKMTL-AWEZNQCLSA-N -1 3 366.464 2.557 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C(C)(C)C(C)(C)O ZINC000594768188 520146261 /nfs/dbraw/zinc/14/62/61/520146261.db2.gz SBCCYVBZESFITE-UHFFFAOYSA-N -1 3 352.481 2.909 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)CC(F)F ZINC000592066562 520163521 /nfs/dbraw/zinc/16/35/21/520163521.db2.gz CLEZQBXTRTXTQO-QMMMGPOBSA-N -1 3 367.215 2.890 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000594819418 520172266 /nfs/dbraw/zinc/17/22/66/520172266.db2.gz PVIOMYBOSLPFGR-LBPRGKRZSA-N -1 3 368.402 2.788 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC(C)(C)C ZINC000592100376 520183533 /nfs/dbraw/zinc/18/35/33/520183533.db2.gz QNLDULWKLPNGKZ-LBPRGKRZSA-N -1 3 358.847 2.610 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1C[C@@H](O)C12CCC2 ZINC000594862333 520195280 /nfs/dbraw/zinc/19/52/80/520195280.db2.gz BFVKEYPFJCERRI-LSDHHAIUSA-N -1 3 362.476 2.663 20 30 FFEDHM Cc1cccc(F)c1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594863195 520195723 /nfs/dbraw/zinc/19/57/23/520195723.db2.gz MCHXGCQFEKACBG-UHFFFAOYSA-N -1 3 374.437 2.990 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)C(=O)[N-]c2sccc2C(=O)OCC)C1 ZINC000595125207 520309136 /nfs/dbraw/zinc/30/91/36/520309136.db2.gz YZYHRDDPNNOIQA-GFCCVEGCSA-N -1 3 350.440 2.678 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1)C1CC1 ZINC000592351369 520345697 /nfs/dbraw/zinc/34/56/97/520345697.db2.gz OIAOGKRWVCKCNY-KRWDZBQOSA-N -1 3 373.434 2.912 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)NC(C)(C)c2cccc(C#N)c2)c([O-])c1 ZINC000597949857 520348573 /nfs/dbraw/zinc/34/85/73/520348573.db2.gz NGCZCXMFAFAPJN-UHFFFAOYSA-N -1 3 365.433 2.744 20 30 FFEDHM COC(=O)c1sc2[n-]c(CSc3cc(C#N)ccn3)nc(=O)c2c1C ZINC000603727021 520349100 /nfs/dbraw/zinc/34/91/00/520349100.db2.gz YMKQCIPDIPAWKV-UHFFFAOYSA-N -1 3 372.431 2.639 20 30 FFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000592383068 520360835 /nfs/dbraw/zinc/36/08/35/520360835.db2.gz DAGXZHYQRAKVGL-JTQLQIEISA-N -1 3 351.653 2.824 20 30 FFEDHM CC(C)C[C@H](C#N)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000609576846 520364261 /nfs/dbraw/zinc/36/42/61/520364261.db2.gz DFUPFIXIMYGVKG-LLVKDONJSA-N -1 3 362.227 2.959 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c(F)c1 ZINC000610080949 520532121 /nfs/dbraw/zinc/53/21/21/520532121.db2.gz ATHYMBYNGRIFSJ-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000610123755 520548429 /nfs/dbraw/zinc/54/84/29/520548429.db2.gz WMMXRHYUQQIXDX-UHFFFAOYSA-N -1 3 359.382 2.691 20 30 FFEDHM CC1CC(C#N)(C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000610860618 520876982 /nfs/dbraw/zinc/87/69/82/520876982.db2.gz RFCNRZPWRDOSAM-UHFFFAOYSA-N -1 3 356.163 2.875 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC000618249785 520962861 /nfs/dbraw/zinc/96/28/61/520962861.db2.gz DYYXAGBGJWRRQW-INIZCTEOSA-N -1 3 365.433 2.588 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000618249786 520963186 /nfs/dbraw/zinc/96/31/86/520963186.db2.gz DYYXAGBGJWRRQW-MRXNPFEDSA-N -1 3 365.433 2.588 20 30 FFEDHM Cc1ccc(Nc2cccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2)nn1 ZINC000606145694 521008027 /nfs/dbraw/zinc/00/80/27/521008027.db2.gz JGBJCZVHTATDGP-QGZVFWFLSA-N -1 3 358.405 2.847 20 30 FFEDHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2ccsc2C#N)N(C)C)cc1 ZINC000593525670 521051437 /nfs/dbraw/zinc/05/14/37/521051437.db2.gz VOZHYKDWAPOUQX-OAHLLOKOSA-N -1 3 363.508 2.763 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000593614542 521107618 /nfs/dbraw/zinc/10/76/18/521107618.db2.gz ZZJCFGGRHICURY-QGZVFWFLSA-N -1 3 374.487 2.968 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccnc2C#N)c2cc(F)ccc2O1 ZINC000593637347 521123348 /nfs/dbraw/zinc/12/33/48/521123348.db2.gz SVBQDOWAGWOIAD-ZDUSSCGKSA-N -1 3 361.398 2.673 20 30 FFEDHM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000593654156 521132766 /nfs/dbraw/zinc/13/27/66/521132766.db2.gz RAZHYCQTCYJOMX-SNVBAGLBSA-N -1 3 362.373 2.670 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@]12C[C@@H]1COC2(C)C ZINC000599396235 521197222 /nfs/dbraw/zinc/19/72/22/521197222.db2.gz HWUVKJLGYNJPDS-PXAZEXFGSA-N -1 3 362.476 2.927 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3ccc(F)cc3[O-])CC2)c1 ZINC000593885627 521272116 /nfs/dbraw/zinc/27/21/16/521272116.db2.gz HXKWHRKZBBSZBD-UHFFFAOYSA-N -1 3 353.397 2.797 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CNc2ccccc21 ZINC000602593060 521428308 /nfs/dbraw/zinc/42/83/08/521428308.db2.gz HCQLDCKLUKZZOM-OAHLLOKOSA-N -1 3 364.449 2.924 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000630479374 522874398 /nfs/dbraw/zinc/87/43/98/522874398.db2.gz FQSQZYCEFUOKGM-MRXNPFEDSA-N -1 3 351.491 2.751 20 30 FFEDHM CCC(F)(F)CNC(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000627849295 523157426 /nfs/dbraw/zinc/15/74/26/523157426.db2.gz ATNLVGXAMKZRPW-JTQLQIEISA-N -1 3 374.256 2.846 20 30 FFEDHM C=C(C)Cn1c(CC(C)C)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634372823 523377739 /nfs/dbraw/zinc/37/77/39/523377739.db2.gz BNYLSCGCBPYAGH-UHFFFAOYSA-N -1 3 357.506 2.681 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000482421741 561253669 /nfs/dbraw/zinc/25/36/69/561253669.db2.gz MBVWPDGZCYXIRV-UHFFFAOYSA-N -1 3 370.356 2.717 20 30 FFEDHM COC(=O)c1cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c[n-]1 ZINC000498985047 561540126 /nfs/dbraw/zinc/54/01/26/561540126.db2.gz NWERZGVNJQNJAY-UHFFFAOYSA-N -1 3 369.768 2.764 20 30 FFEDHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737589711 598915766 /nfs/dbraw/zinc/91/57/66/598915766.db2.gz DRCBVTIUAVIMIZ-UHFFFAOYSA-N -1 3 362.180 2.636 20 30 FFEDHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737589711 598915767 /nfs/dbraw/zinc/91/57/67/598915767.db2.gz DRCBVTIUAVIMIZ-UHFFFAOYSA-N -1 3 362.180 2.636 20 30 FFEDHM COc1ccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)coc2c1 ZINC000737116743 598917075 /nfs/dbraw/zinc/91/70/75/598917075.db2.gz XDUBTUJDBAZOSN-UHFFFAOYSA-N -1 3 374.360 2.674 20 30 FFEDHM COc1ccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)coc2c1 ZINC000737116743 598917076 /nfs/dbraw/zinc/91/70/76/598917076.db2.gz XDUBTUJDBAZOSN-UHFFFAOYSA-N -1 3 374.360 2.674 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737708306 598925900 /nfs/dbraw/zinc/92/59/00/598925900.db2.gz DXSPKYYLYOPWCU-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737708306 598925902 /nfs/dbraw/zinc/92/59/02/598925902.db2.gz DXSPKYYLYOPWCU-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM COc1ccccc1C(C)=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737143259 598929686 /nfs/dbraw/zinc/92/96/86/598929686.db2.gz SXUFRWUGHYXWCH-XFXZXTDPSA-N -1 3 360.377 2.789 20 30 FFEDHM COc1ccccc1C(C)=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737143259 598929688 /nfs/dbraw/zinc/92/96/88/598929688.db2.gz SXUFRWUGHYXWCH-XFXZXTDPSA-N -1 3 360.377 2.789 20 30 FFEDHM CC(CCc1ccc2c(c1)OCO2)N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820252493 607254304 /nfs/dbraw/zinc/25/43/04/607254304.db2.gz AYIRGMHBZVKIQG-UHFFFAOYSA-N -1 3 364.409 2.694 20 30 FFEDHM CC(CCc1ccc2c(c1)OCO2)N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820252493 607254305 /nfs/dbraw/zinc/25/43/05/607254305.db2.gz AYIRGMHBZVKIQG-UHFFFAOYSA-N -1 3 364.409 2.694 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000736170888 598970005 /nfs/dbraw/zinc/97/00/05/598970005.db2.gz SITNWTYPPAUKCI-YJYMSZOUSA-N -1 3 368.441 2.613 20 30 FFEDHM N#Cc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737730320 599064431 /nfs/dbraw/zinc/06/44/31/599064431.db2.gz IFECGBUGZQXUDJ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737730320 599064434 /nfs/dbraw/zinc/06/44/34/599064434.db2.gz IFECGBUGZQXUDJ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000822837320 599113959 /nfs/dbraw/zinc/11/39/59/599113959.db2.gz JXJDLDQZJKUGQC-ZSOIEALJSA-N -1 3 367.372 2.599 20 30 FFEDHM N#Cc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000822837320 599113960 /nfs/dbraw/zinc/11/39/60/599113960.db2.gz JXJDLDQZJKUGQC-ZSOIEALJSA-N -1 3 367.372 2.599 20 30 FFEDHM COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC000737083829 599128862 /nfs/dbraw/zinc/12/88/62/599128862.db2.gz WGJNAHLZCRDCTQ-UHFFFAOYSA-N -1 3 373.760 2.883 20 30 FFEDHM COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2Cl)cc1-c1nn[n-]n1 ZINC000737083829 599128863 /nfs/dbraw/zinc/12/88/63/599128863.db2.gz WGJNAHLZCRDCTQ-UHFFFAOYSA-N -1 3 373.760 2.883 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC1CCOCC1 ZINC000819743490 599145053 /nfs/dbraw/zinc/14/50/53/599145053.db2.gz KOCLTRILCHRHJH-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC1CCOCC1 ZINC000819743490 599145055 /nfs/dbraw/zinc/14/50/55/599145055.db2.gz KOCLTRILCHRHJH-UHFFFAOYSA-N -1 3 355.442 2.588 20 30 FFEDHM C=CC[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735409593 599147268 /nfs/dbraw/zinc/14/72/68/599147268.db2.gz GMNUCWZJMOZSAS-KRWDZBQOSA-N -1 3 363.425 2.721 20 30 FFEDHM C=CC[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000735409593 599147270 /nfs/dbraw/zinc/14/72/70/599147270.db2.gz GMNUCWZJMOZSAS-KRWDZBQOSA-N -1 3 363.425 2.721 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735977405 599153048 /nfs/dbraw/zinc/15/30/48/599153048.db2.gz VMRAXWHZTWERQK-ZDUSSCGKSA-N -1 3 363.377 2.905 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735977405 599153050 /nfs/dbraw/zinc/15/30/50/599153050.db2.gz VMRAXWHZTWERQK-ZDUSSCGKSA-N -1 3 363.377 2.905 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736189119 599165997 /nfs/dbraw/zinc/16/59/97/599165997.db2.gz ASGDPMYBIWYHPH-HWPZZCPQSA-N -1 3 362.434 2.541 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736189119 599165999 /nfs/dbraw/zinc/16/59/99/599165999.db2.gz ASGDPMYBIWYHPH-HWPZZCPQSA-N -1 3 362.434 2.541 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2N2CCCCC2)cc1-c1nnn[n-]1 ZINC000737717729 599192790 /nfs/dbraw/zinc/19/27/90/599192790.db2.gz AKASNZQXMMQGEM-UHFFFAOYSA-N -1 3 373.420 2.981 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2N2CCCCC2)cc1-c1nn[n-]n1 ZINC000737717729 599192792 /nfs/dbraw/zinc/19/27/92/599192792.db2.gz AKASNZQXMMQGEM-UHFFFAOYSA-N -1 3 373.420 2.981 20 30 FFEDHM Cc1ccc(OCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000737366529 599193927 /nfs/dbraw/zinc/19/39/27/599193927.db2.gz REJIKVYYXPDKOT-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1ccc(OCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC000737366529 599193929 /nfs/dbraw/zinc/19/39/29/599193929.db2.gz REJIKVYYXPDKOT-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)ccc1-c1nnn[n-]1 ZINC000737706303 599196021 /nfs/dbraw/zinc/19/60/21/599196021.db2.gz XAFCDKCEEMYQRH-ZIAGYGMSSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)ccc1-c1nn[n-]n1 ZINC000737706303 599196024 /nfs/dbraw/zinc/19/60/24/599196024.db2.gz XAFCDKCEEMYQRH-ZIAGYGMSSA-N -1 3 366.331 2.759 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735506956 599198900 /nfs/dbraw/zinc/19/89/00/599198900.db2.gz YOENAJRSAWQTAT-JTQLQIEISA-N -1 3 368.784 2.954 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735506956 599198903 /nfs/dbraw/zinc/19/89/03/599198903.db2.gz YOENAJRSAWQTAT-JTQLQIEISA-N -1 3 368.784 2.954 20 30 FFEDHM C=CCOc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819758657 599203777 /nfs/dbraw/zinc/20/37/77/599203777.db2.gz DLNJZZVEUIHADV-CYBMUJFWSA-N -1 3 366.377 2.804 20 30 FFEDHM C=CCOc1ccc(OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819758657 599203778 /nfs/dbraw/zinc/20/37/78/599203778.db2.gz DLNJZZVEUIHADV-CYBMUJFWSA-N -1 3 366.377 2.804 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000822220169 599271260 /nfs/dbraw/zinc/27/12/60/599271260.db2.gz GZFQQOXYRYMWQT-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000822220169 599271261 /nfs/dbraw/zinc/27/12/61/599271261.db2.gz GZFQQOXYRYMWQT-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1C#N ZINC000737003109 598243050 /nfs/dbraw/zinc/24/30/50/598243050.db2.gz STAAHLZMLWYONX-UHFFFAOYSA-N -1 3 352.373 2.530 20 30 FFEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1C#N ZINC000737003109 598243051 /nfs/dbraw/zinc/24/30/51/598243051.db2.gz STAAHLZMLWYONX-UHFFFAOYSA-N -1 3 352.373 2.530 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735662763 598277470 /nfs/dbraw/zinc/27/74/70/598277470.db2.gz WSPXWTYQPRHBTL-UHFFFAOYSA-N -1 3 364.413 2.617 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735662763 598277472 /nfs/dbraw/zinc/27/74/72/598277472.db2.gz WSPXWTYQPRHBTL-UHFFFAOYSA-N -1 3 364.413 2.617 20 30 FFEDHM C=CCNC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735429247 598284140 /nfs/dbraw/zinc/28/41/40/598284140.db2.gz RXSBMGPNHFPCOA-ZDUSSCGKSA-N -1 3 364.409 2.762 20 30 FFEDHM C=CCNC(=O)[C@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735429247 598284141 /nfs/dbraw/zinc/28/41/41/598284141.db2.gz RXSBMGPNHFPCOA-ZDUSSCGKSA-N -1 3 364.409 2.762 20 30 FFEDHM CCc1c(C)sc(NC(=O)c2ccccc2OCC#N)c1-c1nnn[n-]1 ZINC000736675799 598513885 /nfs/dbraw/zinc/51/38/85/598513885.db2.gz NSHFDUWDRAGRAB-UHFFFAOYSA-N -1 3 368.422 2.954 20 30 FFEDHM CCc1c(C)sc(NC(=O)c2ccccc2OCC#N)c1-c1nn[n-]n1 ZINC000736675799 598513887 /nfs/dbraw/zinc/51/38/87/598513887.db2.gz NSHFDUWDRAGRAB-UHFFFAOYSA-N -1 3 368.422 2.954 20 30 FFEDHM C=CC1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735403218 598666320 /nfs/dbraw/zinc/66/63/20/598666320.db2.gz RQOYDXBACIKKGY-UHFFFAOYSA-N -1 3 355.442 2.840 20 30 FFEDHM C=CC1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735403218 598666322 /nfs/dbraw/zinc/66/63/22/598666322.db2.gz RQOYDXBACIKKGY-UHFFFAOYSA-N -1 3 355.442 2.840 20 30 FFEDHM N#CCCN(CC1CC1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737686659 598733803 /nfs/dbraw/zinc/73/38/03/598733803.db2.gz LASDSLUCTYRIKV-UHFFFAOYSA-N -1 3 361.862 2.843 20 30 FFEDHM N#CCCN(CC1CC1)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737686659 598733804 /nfs/dbraw/zinc/73/38/04/598733804.db2.gz LASDSLUCTYRIKV-UHFFFAOYSA-N -1 3 361.862 2.843 20 30 FFEDHM N#CCCCCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000737686824 598757962 /nfs/dbraw/zinc/75/79/62/598757962.db2.gz DXIHKZDUSFUXGO-UHFFFAOYSA-N -1 3 359.340 2.544 20 30 FFEDHM N#CCCCCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000737686824 598757963 /nfs/dbraw/zinc/75/79/63/598757963.db2.gz DXIHKZDUSFUXGO-UHFFFAOYSA-N -1 3 359.340 2.544 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(CCC)c1 ZINC000819745548 599293510 /nfs/dbraw/zinc/29/35/10/599293510.db2.gz IWEXHWULLQUUPO-UHFFFAOYSA-N -1 3 366.429 2.693 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(CCC)c1 ZINC000819745548 599293511 /nfs/dbraw/zinc/29/35/11/599293511.db2.gz IWEXHWULLQUUPO-UHFFFAOYSA-N -1 3 366.429 2.693 20 30 FFEDHM C#CCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819697396 599297909 /nfs/dbraw/zinc/29/79/09/599297909.db2.gz CZMIVPXLVIPUQC-UHFFFAOYSA-N -1 3 366.356 2.943 20 30 FFEDHM C#CCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819697396 599297910 /nfs/dbraw/zinc/29/79/10/599297910.db2.gz CZMIVPXLVIPUQC-UHFFFAOYSA-N -1 3 366.356 2.943 20 30 FFEDHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736501205 599310556 /nfs/dbraw/zinc/31/05/56/599310556.db2.gz ALHMIZMZHOKRAN-ZDUSSCGKSA-N -1 3 362.393 2.559 20 30 FFEDHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736501205 599310559 /nfs/dbraw/zinc/31/05/59/599310559.db2.gz ALHMIZMZHOKRAN-ZDUSSCGKSA-N -1 3 362.393 2.559 20 30 FFEDHM Cc1nc2sccn2c1C=NOCc1ccc(-c2nnn[n-]2)cc1F ZINC000822467145 599387052 /nfs/dbraw/zinc/38/70/52/599387052.db2.gz ICUMIEGTVJEJLR-UHFFFAOYSA-N -1 3 357.374 2.574 20 30 FFEDHM Cc1nc2sccn2c1C=NOCc1ccc(-c2nn[n-]n2)cc1F ZINC000822467145 599387056 /nfs/dbraw/zinc/38/70/56/599387056.db2.gz ICUMIEGTVJEJLR-UHFFFAOYSA-N -1 3 357.374 2.574 20 30 FFEDHM FC(F)(F)c1cccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000737637078 599456125 /nfs/dbraw/zinc/45/61/25/599456125.db2.gz YYUACUVIUQIVLG-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM FC(F)(F)c1cccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737637078 599456126 /nfs/dbraw/zinc/45/61/26/599456126.db2.gz YYUACUVIUQIVLG-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM C=CCSCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819758925 599502944 /nfs/dbraw/zinc/50/29/44/599502944.db2.gz JMVAGZPVEULGFD-UHFFFAOYSA-N -1 3 357.399 2.654 20 30 FFEDHM C=CCSCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819758925 599502947 /nfs/dbraw/zinc/50/29/47/599502947.db2.gz JMVAGZPVEULGFD-UHFFFAOYSA-N -1 3 357.399 2.654 20 30 FFEDHM C#CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CCCCC1 ZINC000819701421 599566214 /nfs/dbraw/zinc/56/62/14/599566214.db2.gz GSHSONSUEFYLPO-UHFFFAOYSA-N -1 3 363.425 2.685 20 30 FFEDHM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000821347539 599631187 /nfs/dbraw/zinc/63/11/87/599631187.db2.gz XMXAKSSUDYACIV-SECBINFHSA-N -1 3 369.410 2.545 20 30 FFEDHM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000821347539 599631188 /nfs/dbraw/zinc/63/11/88/599631188.db2.gz XMXAKSSUDYACIV-SECBINFHSA-N -1 3 369.410 2.545 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)ccc1-c1nnn[n-]1 ZINC000822823709 599631424 /nfs/dbraw/zinc/63/14/24/599631424.db2.gz XUXJITSHYBVTSE-WIYYLYMNSA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)ccc1-c1nn[n-]n1 ZINC000822823709 599631425 /nfs/dbraw/zinc/63/14/25/599631425.db2.gz XUXJITSHYBVTSE-WIYYLYMNSA-N -1 3 370.416 2.971 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC[C@@H](SC)C1 ZINC000819743162 599679273 /nfs/dbraw/zinc/67/92/73/599679273.db2.gz DKLIPQQFNRGXFS-JKSUJKDBSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[C@@H](SC)C1 ZINC000819743162 599679274 /nfs/dbraw/zinc/67/92/74/599679274.db2.gz DKLIPQQFNRGXFS-JKSUJKDBSA-N -1 3 372.498 2.848 20 30 FFEDHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820249577 599689528 /nfs/dbraw/zinc/68/95/28/599689528.db2.gz XBNQFALRDXMPDI-ZDUSSCGKSA-N -1 3 362.393 2.782 20 30 FFEDHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820249577 599689529 /nfs/dbraw/zinc/68/95/29/599689529.db2.gz XBNQFALRDXMPDI-ZDUSSCGKSA-N -1 3 362.393 2.782 20 30 FFEDHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(C#N)c1 ZINC000824500474 607458616 /nfs/dbraw/zinc/45/86/16/607458616.db2.gz XEWWPOVQJHTZFD-ZDUSSCGKSA-N -1 3 373.420 2.788 20 30 FFEDHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(C#N)c1 ZINC000824500474 607458617 /nfs/dbraw/zinc/45/86/17/607458617.db2.gz XEWWPOVQJHTZFD-ZDUSSCGKSA-N -1 3 373.420 2.788 20 30 FFEDHM CCCC[C@@H](C(=O)[O-])N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000829277051 600985609 /nfs/dbraw/zinc/98/56/09/600985609.db2.gz POCOAXGQXJHOEI-AWEZNQCLSA-N -1 3 358.398 2.572 20 30 FFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000833074272 601313137 /nfs/dbraw/zinc/31/31/37/601313137.db2.gz TZBMICKGZMJRNB-KRWDZBQOSA-N -1 3 369.446 2.640 20 30 FFEDHM COc1ccc(CN=Cc2cc3ccccc3[nH]c2=O)cc1-c1nnn[n-]1 ZINC000826195909 607527742 /nfs/dbraw/zinc/52/77/42/607527742.db2.gz JYDUBXGGHQAGKH-RGVLZGJSSA-N -1 3 360.377 2.748 20 30 FFEDHM COc1ccc(CN=Cc2cc3ccccc3[nH]c2=O)cc1-c1nn[n-]n1 ZINC000826195909 607527745 /nfs/dbraw/zinc/52/77/45/607527745.db2.gz JYDUBXGGHQAGKH-RGVLZGJSSA-N -1 3 360.377 2.748 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)CC1 ZINC000738485233 602629027 /nfs/dbraw/zinc/62/90/27/602629027.db2.gz GLOGMIZZGPBICZ-QGZVFWFLSA-N -1 3 366.506 2.543 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000827460613 604221225 /nfs/dbraw/zinc/22/12/25/604221225.db2.gz WRNIORGDILXJTN-MELADBBJSA-N -1 3 373.409 2.559 20 30 FFEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000833415832 605181276 /nfs/dbraw/zinc/18/12/76/605181276.db2.gz YADQYEROVXGDSV-IBGZPJMESA-N -1 3 365.433 2.616 20 30 FFEDHM N#CC(C(=O)CC[C@@H]1CCCN1C(=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000833961598 605487738 /nfs/dbraw/zinc/48/77/38/605487738.db2.gz RTRJRKIIPZXGOY-KBPBESRZSA-N -1 3 363.801 2.910 20 30 FFEDHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820937645 606127115 /nfs/dbraw/zinc/12/71/15/606127115.db2.gz AZXOFRMAFHIZBS-INIZCTEOSA-N -1 3 362.393 2.843 20 30 FFEDHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820937645 606127116 /nfs/dbraw/zinc/12/71/16/606127116.db2.gz AZXOFRMAFHIZBS-INIZCTEOSA-N -1 3 362.393 2.843 20 30 FFEDHM Cc1ccc(F)c(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822240243 606205455 /nfs/dbraw/zinc/20/54/55/606205455.db2.gz YTYNREQMSVHJMH-UHFFFAOYSA-N -1 3 361.431 2.696 20 30 FFEDHM Cc1ccc(F)c(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822240243 606205458 /nfs/dbraw/zinc/20/54/58/606205458.db2.gz YTYNREQMSVHJMH-UHFFFAOYSA-N -1 3 361.431 2.696 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530695 606306823 /nfs/dbraw/zinc/30/68/23/606306823.db2.gz PEDLHCZBIXJOCC-HWKANZROSA-N -1 3 351.391 2.709 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530695 606306825 /nfs/dbraw/zinc/30/68/25/606306825.db2.gz PEDLHCZBIXJOCC-HWKANZROSA-N -1 3 351.391 2.709 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819854840 606316173 /nfs/dbraw/zinc/31/61/73/606316173.db2.gz COLPRFMHAUGEML-NSHDSACASA-N -1 3 350.407 2.660 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819854840 606316174 /nfs/dbraw/zinc/31/61/74/606316174.db2.gz COLPRFMHAUGEML-NSHDSACASA-N -1 3 350.407 2.660 20 30 FFEDHM O=C1NC(=NC2CCCCC2)SC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823541256 606390023 /nfs/dbraw/zinc/39/00/23/606390023.db2.gz NFQIETZENQWUAX-WQLSENKSSA-N -1 3 360.468 2.821 20 30 FFEDHM O=C1N/C(=N/C2CCCCC2)SC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823541256 606390025 /nfs/dbraw/zinc/39/00/25/606390025.db2.gz NFQIETZENQWUAX-WQLSENKSSA-N -1 3 360.468 2.821 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(N2CCOC2=O)c1 ZINC000822924268 606391643 /nfs/dbraw/zinc/39/16/43/606391643.db2.gz ZRECKUAUBQXQFF-XQRVVYSFSA-N -1 3 367.390 2.781 20 30 FFEDHM CCOCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821373948 606407354 /nfs/dbraw/zinc/40/73/54/606407354.db2.gz OTZGFUOKCNQZFE-ZDUSSCGKSA-N -1 3 368.422 2.593 20 30 FFEDHM CCOCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821373948 606407356 /nfs/dbraw/zinc/40/73/56/606407356.db2.gz OTZGFUOKCNQZFE-ZDUSSCGKSA-N -1 3 368.422 2.593 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822801398 606446982 /nfs/dbraw/zinc/44/69/82/606446982.db2.gz IPVKWNKTOQWMAX-QZTJIDSGSA-N -1 3 358.405 2.779 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822801398 606446983 /nfs/dbraw/zinc/44/69/83/606446983.db2.gz IPVKWNKTOQWMAX-QZTJIDSGSA-N -1 3 358.405 2.779 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(-c2nn[nH]n2)cs1 ZINC000822801868 606461893 /nfs/dbraw/zinc/46/18/93/606461893.db2.gz PTTCSFFIQKORAP-SECBINFHSA-N -1 3 372.797 2.543 20 30 FFEDHM N#Cc1csc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000822842470 606491430 /nfs/dbraw/zinc/49/14/30/606491430.db2.gz JUYXLLLHBCNPQC-UHFFFAOYSA-N -1 3 350.407 2.605 20 30 FFEDHM N#Cc1csc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000822842470 606491431 /nfs/dbraw/zinc/49/14/31/606491431.db2.gz JUYXLLLHBCNPQC-UHFFFAOYSA-N -1 3 350.407 2.605 20 30 FFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820219429 606658120 /nfs/dbraw/zinc/65/81/20/606658120.db2.gz GMWOTWJRYGZLEO-QMMMGPOBSA-N -1 3 353.308 2.651 20 30 FFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820219429 606658121 /nfs/dbraw/zinc/65/81/21/606658121.db2.gz GMWOTWJRYGZLEO-QMMMGPOBSA-N -1 3 353.308 2.651 20 30 FFEDHM N#Cc1ccc(F)c(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822829989 606685333 /nfs/dbraw/zinc/68/53/33/606685333.db2.gz SFARNVKUJDSPDB-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1ccc(F)c(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822829989 606685334 /nfs/dbraw/zinc/68/53/34/606685334.db2.gz SFARNVKUJDSPDB-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM O=c1[nH]c(NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)nc2ccccc21 ZINC000823657560 606861670 /nfs/dbraw/zinc/86/16/70/606861670.db2.gz RKBXXYKYEGOSLI-UHFFFAOYSA-N -1 3 372.392 2.668 20 30 FFEDHM O=c1[nH]c(NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)nc2ccccc21 ZINC000823657560 606861672 /nfs/dbraw/zinc/86/16/72/606861672.db2.gz RKBXXYKYEGOSLI-UHFFFAOYSA-N -1 3 372.392 2.668 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819739713 606891345 /nfs/dbraw/zinc/89/13/45/606891345.db2.gz DUUPAFSPUIWBQT-UHFFFAOYSA-N -1 3 371.413 2.512 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819739713 606891347 /nfs/dbraw/zinc/89/13/47/606891347.db2.gz DUUPAFSPUIWBQT-UHFFFAOYSA-N -1 3 371.413 2.512 20 30 FFEDHM C=CCOc1ccccc1CNc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC000819759037 606933623 /nfs/dbraw/zinc/93/36/23/606933623.db2.gz MDENYHXBYOAXIB-UHFFFAOYSA-N -1 3 365.441 2.958 20 30 FFEDHM C=CCOc1ccccc1CNc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC000819759037 606933624 /nfs/dbraw/zinc/93/36/24/606933624.db2.gz MDENYHXBYOAXIB-UHFFFAOYSA-N -1 3 365.441 2.958 20 30 FFEDHM C#CCCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000819692726 606955134 /nfs/dbraw/zinc/95/51/34/606955134.db2.gz IIXALAPXGUHIJM-UHFFFAOYSA-N -1 3 362.393 2.587 20 30 FFEDHM C#CCCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819692726 606955135 /nfs/dbraw/zinc/95/51/35/606955135.db2.gz IIXALAPXGUHIJM-UHFFFAOYSA-N -1 3 362.393 2.587 20 30 FFEDHM C#CCCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819693001 606955601 /nfs/dbraw/zinc/95/56/01/606955601.db2.gz LUMPIAFROORCBG-UHFFFAOYSA-N -1 3 362.437 2.808 20 30 FFEDHM c1cc2ncnc(N=NCc3c[nH]c4ccc(-c5nnn[n-]5)cc34)c2s1 ZINC000819718828 606994547 /nfs/dbraw/zinc/99/45/47/606994547.db2.gz SCSUWHNXHRVGEJ-UHFFFAOYSA-N -1 3 361.394 2.799 20 30 FFEDHM c1cc2ncnc(N=NCc3c[nH]c4ccc(-c5nn[n-]n5)cc34)c2s1 ZINC000819718828 606994548 /nfs/dbraw/zinc/99/45/48/606994548.db2.gz SCSUWHNXHRVGEJ-UHFFFAOYSA-N -1 3 361.394 2.799 20 30 FFEDHM N#Cc1ccc(CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822825359 607077877 /nfs/dbraw/zinc/07/78/77/607077877.db2.gz BXVISLOJWDDEFQ-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1ccc(CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822825359 607077879 /nfs/dbraw/zinc/07/78/79/607077879.db2.gz BXVISLOJWDDEFQ-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821720429 607150739 /nfs/dbraw/zinc/15/07/39/607150739.db2.gz RJTJMNMMFJTPBV-SREVYHEPSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821720429 607150741 /nfs/dbraw/zinc/15/07/41/607150741.db2.gz RJTJMNMMFJTPBV-SREVYHEPSA-N -1 3 354.341 2.919 20 30 FFEDHM N#Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822825414 607189981 /nfs/dbraw/zinc/18/99/81/607189981.db2.gz FBEQFHDFHXIOEG-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM N#Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822825414 607189982 /nfs/dbraw/zinc/18/99/82/607189982.db2.gz FBEQFHDFHXIOEG-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820543083 607191491 /nfs/dbraw/zinc/19/14/91/607191491.db2.gz UBQLWNXSUMXVIA-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820543083 607191492 /nfs/dbraw/zinc/19/14/92/607191492.db2.gz UBQLWNXSUMXVIA-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C=CCCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000819734487 607239516 /nfs/dbraw/zinc/23/95/16/607239516.db2.gz PDSUSZAWKSLJSF-UHFFFAOYSA-N -1 3 353.176 2.509 20 30 FFEDHM C=CCCC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000819734487 607239517 /nfs/dbraw/zinc/23/95/17/607239517.db2.gz PDSUSZAWKSLJSF-UHFFFAOYSA-N -1 3 353.176 2.509 20 30 FFEDHM Cc1cccc(C)c1NC(=S)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826297250 607881902 /nfs/dbraw/zinc/88/19/02/607881902.db2.gz ZRLQRCXILKGNAA-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM Cc1cccc(C)c1NC(=S)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826297250 607881903 /nfs/dbraw/zinc/88/19/03/607881903.db2.gz ZRLQRCXILKGNAA-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM COc1cc2c(c(C=NNc3ccc(-c4nn[n-]n4)cc3)c1)O[C@@H](C)C2 ZINC000826178523 607886154 /nfs/dbraw/zinc/88/61/54/607886154.db2.gz BANKBNWHWOAGTG-NSHDSACASA-N -1 3 350.382 2.645 20 30 FFEDHM Cn1c(C=NNc2ccc(-c3nn[n-]n3)cc2)nc2cc(Cl)ccc21 ZINC000826354998 607886304 /nfs/dbraw/zinc/88/63/04/607886304.db2.gz FWMNTZDJTOCMGL-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM C#CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837282 607939318 /nfs/dbraw/zinc/93/93/18/607939318.db2.gz AFAUNNWKMLMRIX-KDOFPFPSSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837282 607939319 /nfs/dbraw/zinc/93/93/19/607939319.db2.gz AFAUNNWKMLMRIX-KDOFPFPSSA-N -1 3 360.421 2.992 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823919980 608001175 /nfs/dbraw/zinc/00/11/75/608001175.db2.gz VNMNKCJDOIWIQZ-UHFFFAOYSA-N -1 3 373.413 2.528 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823919980 608001176 /nfs/dbraw/zinc/00/11/76/608001176.db2.gz VNMNKCJDOIWIQZ-UHFFFAOYSA-N -1 3 373.413 2.528 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)cc1-c1nnn[n-]1 ZINC000826385477 608308505 /nfs/dbraw/zinc/30/85/05/608308505.db2.gz OHLCCAFQBYHPBK-INIZCTEOSA-N -1 3 374.404 2.885 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)cc1-c1nn[n-]n1 ZINC000826385477 608308507 /nfs/dbraw/zinc/30/85/07/608308507.db2.gz OHLCCAFQBYHPBK-INIZCTEOSA-N -1 3 374.404 2.885 20 30 FFEDHM N#Cc1ccc(NC(=O)C(F)(F)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000826385553 608308555 /nfs/dbraw/zinc/30/85/55/608308555.db2.gz QVUBDQHXZTWMMK-UHFFFAOYSA-N -1 3 358.283 2.608 20 30 FFEDHM N#Cc1ccc(NC(=O)C(F)(F)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000826385553 608308557 /nfs/dbraw/zinc/30/85/57/608308557.db2.gz QVUBDQHXZTWMMK-UHFFFAOYSA-N -1 3 358.283 2.608 20 30 FFEDHM N#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)[nH]1 ZINC000826384319 608328285 /nfs/dbraw/zinc/32/82/85/608328285.db2.gz QMLRUZUQFNWCBH-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM N#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)[nH]1 ZINC000826384319 608328287 /nfs/dbraw/zinc/32/82/87/608328287.db2.gz QMLRUZUQFNWCBH-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM C#CCCCCC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000823840933 608330196 /nfs/dbraw/zinc/33/01/96/608330196.db2.gz GVACCKHBSQHGHQ-UHFFFAOYSA-N -1 3 365.393 2.531 20 30 FFEDHM C#CCCCCC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000823840933 608330198 /nfs/dbraw/zinc/33/01/98/608330198.db2.gz GVACCKHBSQHGHQ-UHFFFAOYSA-N -1 3 365.393 2.531 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000826244644 608481962 /nfs/dbraw/zinc/48/19/62/608481962.db2.gz ZBCFDMUADZRKOU-UHFFFAOYSA-N -1 3 370.416 2.976 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000826244644 608481964 /nfs/dbraw/zinc/48/19/64/608481964.db2.gz ZBCFDMUADZRKOU-UHFFFAOYSA-N -1 3 370.416 2.976 20 30 FFEDHM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962140 609159511 /nfs/dbraw/zinc/15/95/11/609159511.db2.gz GEJWNUPHZKEVSJ-UHFFFAOYSA-N -1 3 364.344 2.892 20 30 FFEDHM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962140 609159513 /nfs/dbraw/zinc/15/95/13/609159513.db2.gz GEJWNUPHZKEVSJ-UHFFFAOYSA-N -1 3 364.344 2.892 20 30 FFEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958130 609160712 /nfs/dbraw/zinc/16/07/12/609160712.db2.gz DMHGHNWEMIWPSP-UHFFFAOYSA-N -1 3 366.282 2.651 20 30 FFEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958130 609160714 /nfs/dbraw/zinc/16/07/14/609160714.db2.gz DMHGHNWEMIWPSP-UHFFFAOYSA-N -1 3 366.282 2.651 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826163383 609271918 /nfs/dbraw/zinc/27/19/18/609271918.db2.gz RWEIOXVXZKCXNO-CLFYSBASSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826163383 609271920 /nfs/dbraw/zinc/27/19/20/609271920.db2.gz RWEIOXVXZKCXNO-CLFYSBASSA-N -1 3 368.368 2.927 20 30 FFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401101 609272756 /nfs/dbraw/zinc/27/27/56/609272756.db2.gz PMZMSDDXEMVBBC-ORCRQEGFSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401101 609272757 /nfs/dbraw/zinc/27/27/57/609272757.db2.gz PMZMSDDXEMVBBC-ORCRQEGFSA-N -1 3 352.325 2.673 20 30 FFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000824763222 609307286 /nfs/dbraw/zinc/30/72/86/609307286.db2.gz LOEYXKCSYMWDKO-MRVPVSSYSA-N -1 3 364.394 2.710 20 30 FFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000824763222 609307287 /nfs/dbraw/zinc/30/72/87/609307287.db2.gz LOEYXKCSYMWDKO-MRVPVSSYSA-N -1 3 364.394 2.710 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826380220 609334194 /nfs/dbraw/zinc/33/41/94/609334194.db2.gz RNTRMMWPRCDNAI-OAHLLOKOSA-N -1 3 360.377 2.691 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826380220 609334196 /nfs/dbraw/zinc/33/41/96/609334196.db2.gz RNTRMMWPRCDNAI-OAHLLOKOSA-N -1 3 360.377 2.691 20 30 FFEDHM C#CCOc1ccccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823862045 609340735 /nfs/dbraw/zinc/34/07/35/609340735.db2.gz XLAMQPDHZMDIGN-ZDUSSCGKSA-N -1 3 351.385 2.869 20 30 FFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000823975127 609405840 /nfs/dbraw/zinc/40/58/40/609405840.db2.gz UXMOSYOLRLGIPQ-AWNIVKPZSA-N -1 3 365.418 2.557 20 30 FFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000823975127 609405841 /nfs/dbraw/zinc/40/58/41/609405841.db2.gz UXMOSYOLRLGIPQ-AWNIVKPZSA-N -1 3 365.418 2.557 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cc(-n3ccnc3)cs2)n1 ZINC000826350369 609469851 /nfs/dbraw/zinc/46/98/51/609469851.db2.gz SRBQWSDLVGWLMP-UHFFFAOYSA-N -1 3 371.817 2.608 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000824777954 609494406 /nfs/dbraw/zinc/49/44/06/609494406.db2.gz LSKNLEHWXANNGZ-KRWDZBQOSA-N -1 3 356.434 2.581 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000824777954 609494407 /nfs/dbraw/zinc/49/44/07/609494407.db2.gz LSKNLEHWXANNGZ-KRWDZBQOSA-N -1 3 356.434 2.581 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824033834 609507705 /nfs/dbraw/zinc/50/77/05/609507705.db2.gz CEEGFIFRVVMTCC-NSHDSACASA-N -1 3 365.422 2.966 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824033834 609507706 /nfs/dbraw/zinc/50/77/06/609507706.db2.gz CEEGFIFRVVMTCC-NSHDSACASA-N -1 3 365.422 2.966 20 30 FFEDHM C#CCCCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823841568 609559199 /nfs/dbraw/zinc/55/91/99/609559199.db2.gz PKLLWTTZTLGDHA-UHFFFAOYSA-N -1 3 367.453 2.820 20 30 FFEDHM C=CCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000161857534 728936509 /nfs/dbraw/zinc/93/65/09/728936509.db2.gz BRRDUOYDAXEWFV-UHFFFAOYSA-N -1 3 354.653 2.966 20 30 FFEDHM CCO[C@@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)C12CCCC2 ZINC000743448525 735298202 /nfs/dbraw/zinc/29/82/02/735298202.db2.gz SXEFYXSTRZCQMW-QGZVFWFLSA-N -1 3 350.484 2.874 20 30 FFEDHM COc1cccc(F)c1C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449216 735298464 /nfs/dbraw/zinc/29/84/64/735298464.db2.gz QWBSERSIACRVEW-UHFFFAOYSA-N -1 3 350.415 2.720 20 30 FFEDHM COc1ccc2c(c1)C(=N[N-]S(=O)(=O)CCc1ccccc1)CCC2 ZINC000743448927 735298513 /nfs/dbraw/zinc/29/85/13/735298513.db2.gz HNPZNIZRHJTEAG-UHFFFAOYSA-N -1 3 358.463 2.898 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)ccc1F ZINC000045362264 728001360 /nfs/dbraw/zinc/00/13/60/728001360.db2.gz AHNMMOSPPDZRIH-BBRMVZONSA-N -1 3 368.474 2.941 20 30 FFEDHM N#Cc1cccc(CNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000746567820 735494410 /nfs/dbraw/zinc/49/44/10/735494410.db2.gz LPUULIWBFRWHPD-UHFFFAOYSA-N -1 3 352.177 2.666 20 30 FFEDHM C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C#N ZINC000131330728 728722018 /nfs/dbraw/zinc/72/20/18/728722018.db2.gz TYZVUQMNYUOLHV-NSHDSACASA-N -1 3 370.446 2.998 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(F)c1 ZINC000135366766 728738084 /nfs/dbraw/zinc/73/80/84/728738084.db2.gz VRIZPCNSQKASNB-UHFFFAOYSA-N -1 3 359.382 2.625 20 30 FFEDHM C=CCN1C(=S)N=NC1c1sc([N-]c2ncnc3n[nH]cc32)nc1C ZINC000163220386 728954414 /nfs/dbraw/zinc/95/44/14/728954414.db2.gz YAJWIZRNYPCJRK-UHFFFAOYSA-N -1 3 371.455 2.595 20 30 FFEDHM CS(=O)(=O)Nc1ccc(OCC/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000179601963 729190007 /nfs/dbraw/zinc/19/00/07/729190007.db2.gz QLCFTQRHOQAYDS-WOJGMQOQSA-N -1 3 368.842 2.915 20 30 FFEDHM CCn1nc(C)c(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)n1 ZINC000905082740 736293736 /nfs/dbraw/zinc/29/37/36/736293736.db2.gz AJPFNJDCDNBBQH-AATRIKPKSA-N -1 3 366.215 2.979 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(Br)c1 ZINC000193468498 729480109 /nfs/dbraw/zinc/48/01/09/729480109.db2.gz GKRUXFRGWCAUHD-LBPRGKRZSA-N -1 3 374.194 2.814 20 30 FFEDHM CCOC1CC(C/N=C/c2cc(Cl)ccc2[O-])(N2CCOCC2)C1 ZINC000193738565 729488289 /nfs/dbraw/zinc/48/82/89/729488289.db2.gz AHPAOPBXVBPOJY-UDWIEESQSA-N -1 3 352.862 2.734 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2cccnc2Br)ccc1C#N ZINC000219488741 729545669 /nfs/dbraw/zinc/54/56/69/729545669.db2.gz BBGZDFFDJXJGIA-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM C=CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCC1 ZINC000855927259 730292621 /nfs/dbraw/zinc/29/26/21/730292621.db2.gz HUSDSEABHQHYHY-UHFFFAOYSA-N -1 3 366.458 2.885 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000862541967 730708072 /nfs/dbraw/zinc/70/80/72/730708072.db2.gz AYWGTPJRJQGZSW-ZDUSSCGKSA-N -1 3 368.474 2.941 20 30 FFEDHM C[C@H](CC#N)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315721 731618508 /nfs/dbraw/zinc/61/85/08/731618508.db2.gz IGHZQMHSBDRRRX-NEPJUHHUSA-N -1 3 353.344 2.735 20 30 FFEDHM O=C(Nc1cccc(Br)c1Cl)N[C@H]1CCCN([O-])C1=O ZINC000879509569 732714118 /nfs/dbraw/zinc/71/41/18/732714118.db2.gz PNQROUWZBXXWRH-VIFPVBQESA-N -1 3 362.611 2.604 20 30 FFEDHM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc([O-])cc1F ZINC000729932738 734604630 /nfs/dbraw/zinc/60/46/30/734604630.db2.gz JURIAVWFCRWZDY-UHFFFAOYSA-N -1 3 363.414 2.808 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H]2CC=CCC2)ccc1F ZINC000784317523 738878393 /nfs/dbraw/zinc/87/83/93/738878393.db2.gz IDICEISJIVIHRJ-CQSZACIVSA-N -1 3 366.458 2.718 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](CC)C2)ccc1F ZINC000740797078 735088049 /nfs/dbraw/zinc/08/80/49/735088049.db2.gz GDYNNWRMMYNCKM-DZGCQCFKSA-N -1 3 368.474 2.989 20 30 FFEDHM N#C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(Br)c1 ZINC000900464484 735649717 /nfs/dbraw/zinc/64/97/17/735649717.db2.gz NRZQWRMHNPAZRR-CYBMUJFWSA-N -1 3 373.210 2.817 20 30 FFEDHM O=C(C1CCS(=O)(=O)CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379021 735772405 /nfs/dbraw/zinc/77/24/05/735772405.db2.gz UGUAZNVHKLGXFC-UHFFFAOYSA-N -1 3 352.239 2.536 20 30 FFEDHM COc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1Br ZINC000750951079 735828483 /nfs/dbraw/zinc/82/84/83/735828483.db2.gz OBKDUBLNRPVMKH-QGMBQPNBSA-N -1 3 365.227 2.978 20 30 FFEDHM N#CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000901770937 735836147 /nfs/dbraw/zinc/83/61/47/735836147.db2.gz FIUDGVQQSBLGKX-JTQLQIEISA-N -1 3 371.262 2.700 20 30 FFEDHM O=C1Nc2ccc(C(F)(F)F)cc2C1=N[N-]c1ccc([N+](=O)[O-])cn1 ZINC000754260285 736140935 /nfs/dbraw/zinc/14/09/35/736140935.db2.gz VEJBDWASQUBSLQ-UHFFFAOYSA-N -1 3 351.244 2.777 20 30 FFEDHM [O-]c1c(F)cccc1CN=Nc1nc(Br)cn2ccnc12 ZINC000755757547 736276731 /nfs/dbraw/zinc/27/67/31/736276731.db2.gz JIMOHYLUANRJNX-UHFFFAOYSA-N -1 3 350.151 2.783 20 30 FFEDHM C#C[C@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760873465 736676459 /nfs/dbraw/zinc/67/64/59/736676459.db2.gz MQTACJPWVAEAIH-ZETCQYMHSA-N -1 3 353.603 2.696 20 30 FFEDHM CC(N=Nc1ccc(-n2ccnc2)nn1)c1ccc(Br)cc1[O-] ZINC000761829753 736764345 /nfs/dbraw/zinc/76/43/45/736764345.db2.gz AACPYEYUOMHBEB-UHFFFAOYSA-N -1 3 373.214 2.967 20 30 FFEDHM CC#CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000765448472 737120130 /nfs/dbraw/zinc/12/01/30/737120130.db2.gz ZOUWGGVOGGAIJR-UHFFFAOYSA-N -1 3 350.371 2.525 20 30 FFEDHM CC(C)Oc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1Cl ZINC000770108423 737597206 /nfs/dbraw/zinc/59/72/06/737597206.db2.gz JAZBSACNRKCLJG-LBPRGKRZSA-N -1 3 358.785 2.878 20 30 FFEDHM C#C[C@H](C)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000770363645 737619382 /nfs/dbraw/zinc/61/93/82/737619382.db2.gz ANZPBGNDDHXDHI-VIFPVBQESA-N -1 3 371.281 2.873 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000916908062 737732115 /nfs/dbraw/zinc/73/21/15/737732115.db2.gz FIDBFWBZMOYEDW-JTQLQIEISA-N -1 3 358.741 2.792 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3sccc3C#N)n[n-]2)o1 ZINC000919325560 737852253 /nfs/dbraw/zinc/85/22/53/737852253.db2.gz MBAATQPSYDJFKC-UHFFFAOYSA-N -1 3 356.363 2.707 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3sccc3C#N)[n-]n2)o1 ZINC000919325560 737852256 /nfs/dbraw/zinc/85/22/56/737852256.db2.gz MBAATQPSYDJFKC-UHFFFAOYSA-N -1 3 356.363 2.707 20 30 FFEDHM CCc1onc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000922031252 738081942 /nfs/dbraw/zinc/08/19/42/738081942.db2.gz DPEMBBNCCUKHLN-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM COC(=O)c1ccc(Br)c(NN=Cc2ccc([O-])cn2)c1 ZINC000793114443 739740848 /nfs/dbraw/zinc/74/08/48/739740848.db2.gz VDORBABKVBGPEU-UHFFFAOYSA-N -1 3 350.172 2.782 20 30 FFEDHM CC(=NNc1ccccc1S(=O)(=O)N(C)C)c1ccc([O-])cc1F ZINC000793193508 739750611 /nfs/dbraw/zinc/75/06/11/739750611.db2.gz MEVVHKRFZZRIHO-UHFFFAOYSA-N -1 3 351.403 2.618 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)C(CC)CC)ccc1F ZINC000809333896 741299565 /nfs/dbraw/zinc/29/95/65/741299565.db2.gz NFFSMMBQNKWQCU-UHFFFAOYSA-N -1 3 356.463 2.941 20 30 FFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccccc1 ZINC000809828282 741350322 /nfs/dbraw/zinc/35/03/22/741350322.db2.gz KKDXHNJYZZHGDH-OAHLLOKOSA-N -1 3 361.419 2.726 20 30 FFEDHM C[C@H](CC(=O)OCCCCCCF)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000810911087 741461137 /nfs/dbraw/zinc/46/11/37/741461137.db2.gz MEGYETWHLDZDNU-CYBMUJFWSA-N -1 3 370.446 2.577 20 30 FFEDHM COC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187851 741492178 /nfs/dbraw/zinc/49/21/78/741492178.db2.gz NLTFMYVCZSCOOQ-INIZCTEOSA-N -1 3 359.765 2.858 20 30 FFEDHM CC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([O-])c(F)c1 ZINC000812231080 741598782 /nfs/dbraw/zinc/59/87/82/741598782.db2.gz OAAUYGIIJZOJNJ-UHFFFAOYSA-N -1 3 351.403 2.618 20 30 FFEDHM C=CCCCS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000813670112 741746415 /nfs/dbraw/zinc/74/64/15/741746415.db2.gz OZWQSYAPFSDOSG-CYBMUJFWSA-N -1 3 371.808 2.976 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000816694683 742054039 /nfs/dbraw/zinc/05/40/39/742054039.db2.gz LDAAAPYWXYFOPE-SNVBAGLBSA-N -1 3 372.233 2.837 20 30 FFEDHM Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816755923 742058963 /nfs/dbraw/zinc/05/89/63/742058963.db2.gz LTSIIMUIIPCDGY-NSHDSACASA-N -1 3 367.199 2.614 20 30 FFEDHM O=C(CCCCc1ccc(Br)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000816759484 742059320 /nfs/dbraw/zinc/05/93/20/742059320.db2.gz NPGNHVRQJBYHRC-CQSZACIVSA-N -1 3 369.259 2.658 20 30 FFEDHM O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000816760398 742059593 /nfs/dbraw/zinc/05/95/93/742059593.db2.gz PNVWSHUSCWPTKX-OBIHZWKSSA-N -1 3 362.735 2.782 20 30 FFEDHM CCCC1(c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)CCC1 ZINC000817098920 742088083 /nfs/dbraw/zinc/08/80/83/742088083.db2.gz PLNHPEMCSRNQDH-UHFFFAOYSA-N -1 3 360.439 2.530 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC2(C)C)ccc1F ZINC000819174944 742347938 /nfs/dbraw/zinc/34/79/38/742347938.db2.gz OJHUKEIVMBDHKQ-CQSZACIVSA-N -1 3 368.474 2.846 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000820156830 742468716 /nfs/dbraw/zinc/46/87/16/742468716.db2.gz OLFIHUJAFUXCPW-ZDUSSCGKSA-N -1 3 356.344 2.624 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000820179565 742471313 /nfs/dbraw/zinc/47/13/13/742471313.db2.gz MIQSYXYUNVHODQ-HZPDHXFCSA-N -1 3 360.797 2.566 20 30 FFEDHM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820482515 742510639 /nfs/dbraw/zinc/51/06/39/742510639.db2.gz MCFDTKISUKSEGX-GXTWGEPZSA-N -1 3 358.360 2.771 20 30 FFEDHM O=C(COC(F)(F)F)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000822720459 742774538 /nfs/dbraw/zinc/77/45/38/742774538.db2.gz NHEISVPLJXCQKG-VIFPVBQESA-N -1 3 364.173 2.990 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1snc(Cl)c1C#N ZINC001050047625 743492857 /nfs/dbraw/zinc/49/28/57/743492857.db2.gz SHFRRACAKJUWOB-SKDRFNHKSA-N -1 3 362.842 2.771 20 30 FFEDHM Cc1nsc(N2C[C@@H](CNC(=O)c3ccccc3[O-])[C@H](C)C2)c1C#N ZINC001052785297 743622314 /nfs/dbraw/zinc/62/23/14/743622314.db2.gz LOSPRTOKUJETFG-DGCLKSJQSA-N -1 3 356.451 2.531 20 30 FFEDHM C#CCC[C@H](C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000839036577 746759909 /nfs/dbraw/zinc/75/99/09/746759909.db2.gz WULRLTSENWVKJX-AWEZNQCLSA-N -1 3 353.440 2.561 20 30 FFEDHM CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135653 748851400 /nfs/dbraw/zinc/85/14/00/748851400.db2.gz GWLOFCUTXRYENJ-GXTWGEPZSA-N -1 3 369.259 2.514 20 30 FFEDHM Cc1nn(C)c(C)c1C(=NNc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000737508286 945087125 /nfs/dbraw/zinc/08/71/25/945087125.db2.gz FNOKFAWCRKPCMK-UHFFFAOYSA-N -1 3 364.335 2.596 20 30 FFEDHM Cc1nn(C)c(C)c1C(=NNc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000737508286 945087136 /nfs/dbraw/zinc/08/71/36/945087136.db2.gz FNOKFAWCRKPCMK-UHFFFAOYSA-N -1 3 364.335 2.596 20 30 FFEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC001601058502 970923984 /nfs/dbraw/zinc/92/39/84/970923984.db2.gz MTYBVZGBKMYXHE-HUUCEWRRSA-N -1 3 364.405 2.553 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820536503 945479257 /nfs/dbraw/zinc/47/92/57/945479257.db2.gz VFSYUSZJYSYSBU-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820536503 945479266 /nfs/dbraw/zinc/47/92/66/945479266.db2.gz VFSYUSZJYSYSBU-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823903588 946508478 /nfs/dbraw/zinc/50/84/78/946508478.db2.gz DTECAHPWPVGXAX-UHFFFAOYSA-N -1 3 359.336 2.609 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823903588 946508486 /nfs/dbraw/zinc/50/84/86/946508486.db2.gz DTECAHPWPVGXAX-UHFFFAOYSA-N -1 3 359.336 2.609 20 30 FFEDHM C#C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001573280693 946665393 /nfs/dbraw/zinc/66/53/93/946665393.db2.gz RAIAVKSXLHJHJZ-GFCCVEGCSA-N -1 3 355.745 2.610 20 30 FFEDHM C#C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001573280693 946665398 /nfs/dbraw/zinc/66/53/98/946665398.db2.gz RAIAVKSXLHJHJZ-GFCCVEGCSA-N -1 3 355.745 2.610 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573293189 946950759 /nfs/dbraw/zinc/95/07/59/946950759.db2.gz NYTANNYICRPTNS-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573293189 946950760 /nfs/dbraw/zinc/95/07/60/946950760.db2.gz NYTANNYICRPTNS-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573294095 946977480 /nfs/dbraw/zinc/97/74/80/946977480.db2.gz UJQSZQATLWKKBU-SNPRPXQTSA-N -1 3 372.498 2.506 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573300256 947109582 /nfs/dbraw/zinc/10/95/82/947109582.db2.gz JNMYQIYLJYJBNO-UHFFFAOYSA-N -1 3 360.437 2.503 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573300256 947109586 /nfs/dbraw/zinc/10/95/86/947109586.db2.gz JNMYQIYLJYJBNO-UHFFFAOYSA-N -1 3 360.437 2.503 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573300654 947116599 /nfs/dbraw/zinc/11/65/99/947116599.db2.gz RMRYYQLDZWNTMC-HUUCEWRRSA-N -1 3 369.473 2.766 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573300654 947116602 /nfs/dbraw/zinc/11/66/02/947116602.db2.gz RMRYYQLDZWNTMC-HUUCEWRRSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)[C@@H]1C ZINC001573305010 947148444 /nfs/dbraw/zinc/14/84/44/947148444.db2.gz KXOUNTAEUARJBH-DZGCQCFKSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)[C@@H]1C ZINC001573305010 947148449 /nfs/dbraw/zinc/14/84/49/947148449.db2.gz KXOUNTAEUARJBH-DZGCQCFKSA-N -1 3 369.473 2.574 20 30 FFEDHM CCc1ccc(-c2nc(Cn3cnc(C#N)c3-c3nnn[n-]3)cs2)cc1 ZINC000825700716 947291279 /nfs/dbraw/zinc/29/12/79/947291279.db2.gz QKBRBGWJJOHURH-UHFFFAOYSA-N -1 3 362.422 2.669 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(CC)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573318332 947306857 /nfs/dbraw/zinc/30/68/57/947306857.db2.gz APDZJMQQWQCBBU-UHFFFAOYSA-N -1 3 374.464 2.546 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(CC)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573318332 947306872 /nfs/dbraw/zinc/30/68/72/947306872.db2.gz APDZJMQQWQCBBU-UHFFFAOYSA-N -1 3 374.464 2.546 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573318971 947320392 /nfs/dbraw/zinc/32/03/92/947320392.db2.gz IFVSPKBYDPPZJS-HNNXBMFYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573318971 947320402 /nfs/dbraw/zinc/32/04/02/947320402.db2.gz IFVSPKBYDPPZJS-HNNXBMFYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCCCC(=O)NC[C@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573335314 947475122 /nfs/dbraw/zinc/47/51/22/947475122.db2.gz XHHCPRGWUVJUKM-LBPRGKRZSA-N -1 3 363.491 2.541 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001573350532 947599113 /nfs/dbraw/zinc/59/91/13/947599113.db2.gz DYTWSNVETUJAAK-CABCVRRESA-N -1 3 372.429 2.509 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001573350532 947599120 /nfs/dbraw/zinc/59/91/20/947599120.db2.gz DYTWSNVETUJAAK-CABCVRRESA-N -1 3 372.429 2.509 20 30 FFEDHM N#Cc1ncn(CC(=O)c2ccc(Oc3ccccc3)cc2)c1-c1nnn[n-]1 ZINC000826388198 948194051 /nfs/dbraw/zinc/19/40/51/948194051.db2.gz MPDSBMVRIIARRQ-UHFFFAOYSA-N -1 3 371.360 2.610 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000007673782 1013194786 /nfs/dbraw/zinc/19/47/86/1013194786.db2.gz KZGWQWJXEZNARZ-UHFFFAOYSA-N -1 3 372.808 2.876 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1 ZINC000121777896 966269611 /nfs/dbraw/zinc/26/96/11/966269611.db2.gz JDYYOZHLKGPGRP-CQSZACIVSA-N -1 3 353.334 2.873 20 30 FFEDHM C=C(Cl)CN1CC[C@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)[C@H]1C ZINC001088787338 976229780 /nfs/dbraw/zinc/22/97/80/976229780.db2.gz DEWBCBFRSWHPAY-OLZOCXBDSA-N -1 3 352.866 2.559 20 30 FFEDHM C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@@H]3C2)C1 ZINC000985749846 979408871 /nfs/dbraw/zinc/40/88/71/979408871.db2.gz MMLWRKWBEXSGNQ-CVEARBPZSA-N -1 3 354.450 2.669 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000986474631 980029388 /nfs/dbraw/zinc/02/93/88/980029388.db2.gz WUNFDZXQGKAMKS-CVEARBPZSA-N -1 3 356.466 2.915 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000128982914 980420827 /nfs/dbraw/zinc/42/08/27/980420827.db2.gz AJGUDEMTVKKKQU-AWEZNQCLSA-N -1 3 353.334 2.955 20 30 FFEDHM N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1Cl ZINC000913299261 984229134 /nfs/dbraw/zinc/22/91/34/984229134.db2.gz XMQRJZYLBWTZBN-UHFFFAOYSA-N -1 3 370.752 2.990 20 30 FFEDHM N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1Cl ZINC000913299261 984229137 /nfs/dbraw/zinc/22/91/37/984229137.db2.gz XMQRJZYLBWTZBN-UHFFFAOYSA-N -1 3 370.752 2.990 20 30 FFEDHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878924722 1015283656 /nfs/dbraw/zinc/28/36/56/1015283656.db2.gz RSXCCCLWTVULCR-YOEHRIQHSA-N -1 3 360.458 2.876 20 30 FFEDHM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000176460119 987255578 /nfs/dbraw/zinc/25/55/78/987255578.db2.gz GJYWRHKVAXQMPL-OAHLLOKOSA-N -1 3 363.377 2.653 20 30 FFEDHM CCN(CC)c1ccc(C=[NH+][N-]c2ccc(-n3cccn3)nn2)c([O-])c1 ZINC000915972674 989717166 /nfs/dbraw/zinc/71/71/66/989717166.db2.gz RCPLTRUMIKIFBZ-UHFFFAOYSA-N -1 3 351.414 2.660 20 30 FFEDHM O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1cc(Cl)ccc1[O-] ZINC000916318983 989777181 /nfs/dbraw/zinc/77/71/81/989777181.db2.gz TYPKQCFCLUQKRK-UHFFFAOYSA-N -1 3 365.780 2.823 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)[nH]n2)cc1 ZINC000916941767 990061553 /nfs/dbraw/zinc/06/15/53/990061553.db2.gz CCJNJVMJBSVZJW-CQSZACIVSA-N -1 3 368.393 2.671 20 30 FFEDHM N#CC(C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)=C([O-])C=C1CCCC1 ZINC000918489353 990404621 /nfs/dbraw/zinc/40/46/21/990404621.db2.gz KPINCGPDNMDHJQ-LBPRGKRZSA-N -1 3 371.349 2.514 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1[O-] ZINC000920941800 990941278 /nfs/dbraw/zinc/94/12/78/990941278.db2.gz RFOLLYIBFDYDGL-YSRRJJCPSA-N -1 3 353.422 2.895 20 30 FFEDHM N#CCN[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1c1ccc(F)cc1 ZINC001079149542 991811577 /nfs/dbraw/zinc/81/15/77/991811577.db2.gz YGBKDCKXGPTUEM-FUHWJXTLSA-N -1 3 353.397 2.643 20 30 FFEDHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)n[n-]c21 ZINC000808676303 994218559 /nfs/dbraw/zinc/21/85/59/994218559.db2.gz KNNJAJGCSLOXQY-NSHDSACASA-N -1 3 364.361 2.627 20 30 FFEDHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000808676303 994218572 /nfs/dbraw/zinc/21/85/72/994218572.db2.gz KNNJAJGCSLOXQY-NSHDSACASA-N -1 3 364.361 2.627 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1[O-] ZINC000809144067 994404640 /nfs/dbraw/zinc/40/46/40/994404640.db2.gz CDHWKSAZXSFGPT-DJKKODMXSA-N -1 3 354.366 2.639 20 30 FFEDHM COc1ccc(CN2CCSC[C@H](C(=O)[O-])C2)cc1OCCCC#N ZINC001599560686 998187230 /nfs/dbraw/zinc/18/72/30/998187230.db2.gz PXNYMGGBWIHKRO-OAHLLOKOSA-N -1 3 364.467 2.627 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CC2CCC(O)CC2)c(C)c1[O-] ZINC001144348089 998381562 /nfs/dbraw/zinc/38/15/62/998381562.db2.gz DRVRIONLSHWQNP-UHFFFAOYSA-N -1 3 360.410 2.629 20 30 FFEDHM CC(C)n1cnnc1SCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845839678 998671117 /nfs/dbraw/zinc/67/11/17/998671117.db2.gz JEQJPRRXMAKYCU-HNNXBMFYSA-N -1 3 368.462 2.961 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000733081251 998866528 /nfs/dbraw/zinc/86/65/28/998866528.db2.gz SETSDUSHHJIVKT-UNUHRMFVSA-N -1 3 363.458 2.796 20 30 FFEDHM CC(=NNc1cccc(C#N)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000767364384 1000111535 /nfs/dbraw/zinc/11/15/35/1000111535.db2.gz YTPMAXBQICSGRD-UHFFFAOYSA-N -1 3 350.422 2.932 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)cc1F ZINC000768767160 1000333507 /nfs/dbraw/zinc/33/35/07/1000333507.db2.gz ZSSFCQKZVOEQSK-CYBMUJFWSA-N -1 3 370.336 2.582 20 30 FFEDHM CCC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1c(C)nn(C)c1C ZINC000769808469 1000607867 /nfs/dbraw/zinc/60/78/67/1000607867.db2.gz ILCOHETZMPXVOK-UHFFFAOYSA-N -1 3 370.461 2.863 20 30 FFEDHM Cn1ncc2c1nc(N=NCc1ccccc1N1CCCCC1)[n-]c2=O ZINC000769808828 1000609068 /nfs/dbraw/zinc/60/90/68/1000609068.db2.gz OXHPJXKHKJYYKG-UHFFFAOYSA-N -1 3 351.414 2.505 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC(C)C)c2)cc1 ZINC000770105905 1000678398 /nfs/dbraw/zinc/67/83/98/1000678398.db2.gz KLCMOARWHIZTMU-QGZVFWFLSA-N -1 3 353.378 2.839 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(-c2nc(-c3ccsc3)no2)ccn1 ZINC001171365089 1001758150 /nfs/dbraw/zinc/75/81/50/1001758150.db2.gz KFWJZCDCQULRQC-ZANVPECISA-N -1 3 357.395 2.508 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001183477809 1002286515 /nfs/dbraw/zinc/28/65/15/1002286515.db2.gz WWCKLFBKKZLPLY-AWEZNQCLSA-N -1 3 357.410 2.992 20 30 FFEDHM O=C([N-][C@@H](CO)C(F)(F)F)[C@H](c1c[nH]c2cc(F)ccc21)C(F)(F)F ZINC001183514914 1002289331 /nfs/dbraw/zinc/28/93/31/1002289331.db2.gz VLRKKRLLWKHXPX-QWRGUYRKSA-N -1 3 372.240 2.992 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CC2(C)CCOCC2)c(C)c1[O-] ZINC001183837896 1002405738 /nfs/dbraw/zinc/40/57/38/1002405738.db2.gz ZKIZDWJAWHNPTH-UHFFFAOYSA-N -1 3 360.410 2.894 20 30 FFEDHM C#CCCCS(=O)(=O)[N-][C@@H](Cc1cccc2ccccc21)C(=O)OCC ZINC000805070417 1003934132 /nfs/dbraw/zinc/93/41/32/1003934132.db2.gz XMMFEQPCODYRLZ-IBGZPJMESA-N -1 3 373.474 2.647 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cnn(Cc2ccc(F)cc2)c1 ZINC001197456486 1004239872 /nfs/dbraw/zinc/23/98/72/1004239872.db2.gz RAFODBZFQNTHQZ-UHFFFAOYSA-N -1 3 353.357 2.510 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccnn1Cc1cccc(C(F)(F)F)c1 ZINC001193112338 1004378159 /nfs/dbraw/zinc/37/81/59/1004378159.db2.gz RFIGOKNTNHNSRH-SNVBAGLBSA-N -1 3 358.345 2.604 20 30 FFEDHM COc1ccc(C(=O)[N-]c2c(C#N)oc3ccccc32)cc1S(C)(=O)=O ZINC001194215904 1004679892 /nfs/dbraw/zinc/67/98/92/1004679892.db2.gz BFLONOYTUIFCMU-UHFFFAOYSA-N -1 3 370.386 2.969 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(C#N)c2F)cc1F ZINC001194982131 1004863774 /nfs/dbraw/zinc/86/37/74/1004863774.db2.gz URHGDAOBSRATFP-UHFFFAOYSA-N -1 3 369.324 2.599 20 30 FFEDHM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccc(Cl)[n-]c1=O)CC2 ZINC001195129250 1004898792 /nfs/dbraw/zinc/89/87/92/1004898792.db2.gz DNWUWKJOJJSTTL-SFHVURJKSA-N -1 3 363.845 2.614 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1C#N ZINC001201293211 1005193772 /nfs/dbraw/zinc/19/37/72/1005193772.db2.gz SYUIJUKVXZNMQW-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1 ZINC000776274922 1005340129 /nfs/dbraw/zinc/34/01/29/1005340129.db2.gz QDGMSLCZAYSCKL-UHFFFAOYSA-N -1 3 362.288 2.661 20 30 FFEDHM C#CCCCCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC001490037111 1005638446 /nfs/dbraw/zinc/63/84/46/1005638446.db2.gz NRMORKSBCVMLHY-SJORKVTESA-N -1 3 354.450 2.506 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@H](C(=O)NC(C)C)C(C)C)n1 ZINC001159170148 1006310807 /nfs/dbraw/zinc/31/08/07/1006310807.db2.gz GSRBIMMMCCMTOB-JIURPICXSA-N -1 3 359.883 2.621 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000132092191 1006843979 /nfs/dbraw/zinc/84/39/79/1006843979.db2.gz VUZMKKRWRWUVNF-ZYSHUDEJSA-N -1 3 370.449 2.687 20 30 FFEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC001189048831 1006870451 /nfs/dbraw/zinc/87/04/51/1006870451.db2.gz PYVIZKJUAWVWFP-UHFFFAOYSA-N -1 3 366.801 2.653 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855170039 1007152177 /nfs/dbraw/zinc/15/21/77/1007152177.db2.gz IWEGZNDVFUWBBG-WFASDCNBSA-N -1 3 352.456 2.628 20 30 FFEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(I)s1 ZINC001189540258 1007156179 /nfs/dbraw/zinc/15/61/79/1007156179.db2.gz BQAHAZKYBBVUIV-UHFFFAOYSA-N -1 3 371.265 2.987 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000816696865 1007169033 /nfs/dbraw/zinc/16/90/33/1007169033.db2.gz KLJLXBOHVVGLGX-LBPRGKRZSA-N -1 3 369.402 2.790 20 30 FFEDHM C#CCN(C(=O)c1ccc(O)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000923688451 1007498528 /nfs/dbraw/zinc/49/85/28/1007498528.db2.gz CCYKIQDEBKQSDU-UHFFFAOYSA-N -1 3 374.437 2.573 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000135330192 1007504868 /nfs/dbraw/zinc/50/48/68/1007504868.db2.gz JAJMRHUJFUCZCL-OAHLLOKOSA-N -1 3 371.462 2.893 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(CC)C2CC2)ccc1F ZINC000855881303 1007619010 /nfs/dbraw/zinc/61/90/10/1007619010.db2.gz YIJOUMCNCFERFS-KRWDZBQOSA-N -1 3 354.447 2.599 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CCO)c2cccc(Cl)c2)c1 ZINC001190669693 1007726102 /nfs/dbraw/zinc/72/61/02/1007726102.db2.gz XFZPWJYMWVCAQS-OAHLLOKOSA-N -1 3 368.817 2.753 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-]c2cccn3c(Br)cnc23)CC1 ZINC001190772912 1007777210 /nfs/dbraw/zinc/77/72/10/1007777210.db2.gz MULQPXFDRQIBOP-UHFFFAOYSA-N -1 3 356.245 2.947 20 30 FFEDHM CC(C)n1cncc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000819805212 1008236738 /nfs/dbraw/zinc/23/67/38/1008236738.db2.gz PVWNFSHVMYAHAM-OAHLLOKOSA-N -1 3 370.438 2.739 20 30 FFEDHM CN1CCCC[C@@H]1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001178690436 1009085054 /nfs/dbraw/zinc/08/50/54/1009085054.db2.gz AHDDCGDIQKWDCT-OTGIAGGSSA-N -1 3 371.466 2.644 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1cccc(F)c1 ZINC000134936298 1009504657 /nfs/dbraw/zinc/50/46/57/1009504657.db2.gz OCOSXEHVNDSVJV-UHFFFAOYSA-N -1 3 355.413 2.987 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)n(C)n2)cc1 ZINC000773974525 1010366789 /nfs/dbraw/zinc/36/67/89/1010366789.db2.gz CPLLFUWRTFWWDR-SWLSCSKDSA-N -1 3 354.410 2.903 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(N3CCCC3)n2)cc1 ZINC000870138279 1012184345 /nfs/dbraw/zinc/18/43/45/1012184345.db2.gz DSZVHVMQVVYLMY-INIZCTEOSA-N -1 3 363.421 2.600 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](C)CC2 ZINC000870139720 1012187060 /nfs/dbraw/zinc/18/70/60/1012187060.db2.gz CIYGNSFQJUNRQL-ZIAGYGMSSA-N -1 3 366.421 2.825 20 30 FFEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c(C2CC2)n1 ZINC000870143860 1012195662 /nfs/dbraw/zinc/19/56/62/1012195662.db2.gz YDJHLJVLOGZEIP-CYBMUJFWSA-N -1 3 352.394 2.750 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000871288277 1012827336 /nfs/dbraw/zinc/82/73/36/1012827336.db2.gz CZWWREMLLMIDDY-HNAYVOBHSA-N -1 3 357.454 2.530 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001095984231 1019690188 /nfs/dbraw/zinc/69/01/88/1019690188.db2.gz FXHDWFAATHDWEO-IKGGRYGDSA-N -1 3 368.481 2.637 20 30 FFEDHM N#Cc1cnc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])c(F)c1 ZINC001045345690 1019946839 /nfs/dbraw/zinc/94/68/39/1019946839.db2.gz NBXXQFFMDCNOFC-HZPDHXFCSA-N -1 3 354.385 2.951 20 30 FFEDHM C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H](CNc2cccc(F)c2C#N)C1 ZINC001048270415 1020079143 /nfs/dbraw/zinc/07/91/43/1020079143.db2.gz OBVMCFIMQCPYOA-OLZOCXBDSA-N -1 3 369.400 2.546 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2ccc(NCCNc3ncccc3C#N)nc2)n1 ZINC000749273770 1020912839 /nfs/dbraw/zinc/91/28/39/1020912839.db2.gz HQBOLPYUXHPBQZ-UHFFFAOYSA-N -1 3 361.409 2.597 20 30 FFEDHM C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC001117742308 1021851017 /nfs/dbraw/zinc/85/10/17/1021851017.db2.gz PTTWGIFEYJLIBW-GFCCVEGCSA-N -1 3 370.409 2.811 20 30 FFEDHM COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1OC[C@H]1CNCCO1 ZINC001218179404 1033037516 /nfs/dbraw/zinc/03/75/16/1033037516.db2.gz OUAAREQNFBRGLH-IQIBNGDESA-N -1 3 369.417 2.664 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(c2ccco2)CC1 ZINC001122479984 1023295845 /nfs/dbraw/zinc/29/58/45/1023295845.db2.gz ZWDNOEVIDKVZMG-UHFFFAOYSA-N -1 3 366.425 2.994 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001122566110 1023342776 /nfs/dbraw/zinc/34/27/76/1023342776.db2.gz BSQCDSRBDMZOIL-NSHDSACASA-N -1 3 350.373 2.641 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001120605728 1023382624 /nfs/dbraw/zinc/38/26/24/1023382624.db2.gz XCXRCTVQEFXPSZ-BDJLRTHQSA-N -1 3 369.874 2.914 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3ncc(C#N)c4ccsc43)C2)n1 ZINC001120875591 1023506135 /nfs/dbraw/zinc/50/61/35/1023506135.db2.gz XJNTZEKYGDMGLQ-GFCCVEGCSA-N -1 3 352.423 2.663 20 30 FFEDHM COc1ccc([C@]2(C)NC(=O)N(N=Cc3c([O-])cccc3Cl)C2=O)cc1 ZINC000755557085 1023610134 /nfs/dbraw/zinc/61/01/34/1023610134.db2.gz YQLMFAUGWGCHCV-SFHVURJKSA-N -1 3 373.796 2.855 20 30 FFEDHM CN(c1nnc(-c2sc3ncccc3c2[O-])n1C)[C@@H]1CCC[C@@H]1C#N ZINC001121557144 1023848103 /nfs/dbraw/zinc/84/81/03/1023848103.db2.gz MJCZSEOXANCCEO-ZYHUDNBSSA-N -1 3 354.439 2.926 20 30 FFEDHM C=CC[C@@H](C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001124001814 1024216018 /nfs/dbraw/zinc/21/60/18/1024216018.db2.gz ZKALEWJARMQSFI-DLBZAZTESA-N -1 3 352.438 2.545 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@]3(C#N)CCCOC3)c2)n1 ZINC001125082124 1024412861 /nfs/dbraw/zinc/41/28/61/1024412861.db2.gz GUYWUIAJYPUKBS-IBGZPJMESA-N -1 3 352.394 2.670 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)CC[C@H]1CCCCO1 ZINC000837390006 1025766778 /nfs/dbraw/zinc/76/67/78/1025766778.db2.gz BTMYTFGBRHYGPM-MRXNPFEDSA-N -1 3 374.437 2.670 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001141462979 1026351727 /nfs/dbraw/zinc/35/17/27/1026351727.db2.gz AYZIALJBXDEBDI-VNKGSWCUSA-N -1 3 364.270 2.651 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](C)[C@H](O)c2cccc(O)c2)n1 ZINC001159582832 1027437207 /nfs/dbraw/zinc/43/72/07/1027437207.db2.gz YKYNUDSALYJTDL-CBWVWYOVSA-N -1 3 368.846 2.900 20 30 FFEDHM CCCCN([O-])C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC001161832698 1028329707 /nfs/dbraw/zinc/32/97/07/1028329707.db2.gz RNJXQLBSKGSFBE-UHFFFAOYSA-N -1 3 371.231 2.583 20 30 FFEDHM C[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)c1cnc2ccccn21 ZINC001154557804 1028355235 /nfs/dbraw/zinc/35/52/35/1028355235.db2.gz RFMQNRNLVZQCRB-GFCCVEGCSA-N -1 3 357.373 2.538 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)N[C@H](c3cncc(F)c3)C3CC3)cc(=O)c2c1 ZINC001154560823 1028355976 /nfs/dbraw/zinc/35/59/76/1028355976.db2.gz RJEXWAVJDFVMCR-IBGZPJMESA-N -1 3 362.364 2.815 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CCNCc1ccccc1C#N ZINC001104107582 1028573920 /nfs/dbraw/zinc/57/39/20/1028573920.db2.gz DXHHQBZLMMQETO-CRAIPNDOSA-N -1 3 364.449 2.547 20 30 FFEDHM Cc1nc(C#N)cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC001162972190 1028740725 /nfs/dbraw/zinc/74/07/25/1028740725.db2.gz FXHYQBMXBIAZHN-UHFFFAOYSA-N -1 3 371.828 2.871 20 30 FFEDHM CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cnc2cccc([O-])c2c1 ZINC001155540818 1028783502 /nfs/dbraw/zinc/78/35/02/1028783502.db2.gz PLMWXGHVJRSPBX-UHFFFAOYSA-N -1 3 360.373 2.732 20 30 FFEDHM O=C(C#Cc1ccccc1)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001150208301 1031681107 /nfs/dbraw/zinc/68/11/07/1031681107.db2.gz ZXBZMGVYPDKTQO-UHFFFAOYSA-N -1 3 368.194 2.619 20 30 FFEDHM O=C(C#Cc1ccccc1)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001150208301 1031681115 /nfs/dbraw/zinc/68/11/15/1031681115.db2.gz ZXBZMGVYPDKTQO-UHFFFAOYSA-N -1 3 368.194 2.619 20 30 FFEDHM COc1ccccc1NC(=O)c1c(C)n[n-]c1NC(=O)c1coc(C#N)c1 ZINC001151236086 1031896564 /nfs/dbraw/zinc/89/65/64/1031896564.db2.gz CTBBSMSBNOBWEL-UHFFFAOYSA-N -1 3 365.349 2.696 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@@H](O/C(=N\[O-])c2ccccn2)[C@@H](F)C1 ZINC001223978742 1033670452 /nfs/dbraw/zinc/67/04/52/1033670452.db2.gz ZDXVPMSOMXLBQX-VJJRLMPCSA-N -1 3 353.394 2.972 20 30 FFEDHM [O-]/N=C/c1ccnc(O[C@H]2CCN(c3ccc(Br)cc3)C2)n1 ZINC001226256674 1034594789 /nfs/dbraw/zinc/59/47/89/1034594789.db2.gz VALHRCQBLBHMDX-RMNBPEERSA-N -1 3 363.215 2.705 20 30 FFEDHM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c([O-])cccc1Cl ZINC001140338475 1035443338 /nfs/dbraw/zinc/44/33/38/1035443338.db2.gz JRCRGVWGZDOKQY-MRXNPFEDSA-N -1 3 362.861 2.959 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)C1 ZINC001227585790 1035621945 /nfs/dbraw/zinc/62/19/45/1035621945.db2.gz FIZUORYWKVSGBG-MWLCHTKSSA-N -1 3 373.331 2.944 20 30 FFEDHM CCOC(=O)C[C@@H](CC#N)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938926 1035822552 /nfs/dbraw/zinc/82/25/52/1035822552.db2.gz ZWJNMLSEHIXMLW-CQSZACIVSA-N -1 3 369.373 2.943 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(C#N)ccc1[O-])[C@@H]2C ZINC001232677950 1035937216 /nfs/dbraw/zinc/93/72/16/1035937216.db2.gz SDOTZYNXSZJMMV-OAHLLOKOSA-N -1 3 353.470 2.877 20 30 FFEDHM N#CCCN(CCC#N)Cc1ccc(I)cc1[O-] ZINC001232980196 1036216175 /nfs/dbraw/zinc/21/61/75/1036216175.db2.gz NKZIVWFVUHKLHD-UHFFFAOYSA-N -1 3 355.179 2.626 20 30 FFEDHM COc1ccc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)c(OC)c1 ZINC001233387746 1036588616 /nfs/dbraw/zinc/58/86/16/1036588616.db2.gz WQQULWJAOQYYQF-UHFFFAOYSA-N -1 3 353.422 2.603 20 30 FFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229341443 1036623396 /nfs/dbraw/zinc/62/33/96/1036623396.db2.gz IXUDIOAVDQJXSJ-CQSZACIVSA-N -1 3 370.796 2.988 20 30 FFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229341443 1036623401 /nfs/dbraw/zinc/62/34/01/1036623401.db2.gz IXUDIOAVDQJXSJ-CQSZACIVSA-N -1 3 370.796 2.988 20 30 FFEDHM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1cc(Cl)c([O-])cc1C ZINC001233591909 1036689483 /nfs/dbraw/zinc/68/94/83/1036689483.db2.gz IACYNKXNNYNAIX-LBPRGKRZSA-N -1 3 354.786 2.950 20 30 FFEDHM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1ccc(/C=N/[O-])cc1OC ZINC001233803240 1036769478 /nfs/dbraw/zinc/76/94/78/1036769478.db2.gz LYZSYBQLGLCOBH-MBTVCVBTSA-N -1 3 357.410 2.845 20 30 FFEDHM CC(C)(C)OC(=O)N1CC=C[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513162 1037067137 /nfs/dbraw/zinc/06/71/37/1037067137.db2.gz JGEWIOAMNFIEOG-ZDUSSCGKSA-N -1 3 368.393 2.761 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)C1 ZINC001231074680 1037456202 /nfs/dbraw/zinc/45/62/02/1037456202.db2.gz RFXACDWGAAHMJJ-GWCFXTLKSA-N -1 3 374.372 2.612 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN2Cc2ccc(Br)c([O-])c2)C1=O ZINC001277548757 1037793515 /nfs/dbraw/zinc/79/35/15/1037793515.db2.gz RFCWMZGGLXEPOU-KRWDZBQOSA-N -1 3 365.271 2.908 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001276566249 1038162072 /nfs/dbraw/zinc/16/20/72/1038162072.db2.gz MWFZHBQAMDYKEY-CQSZACIVSA-N -1 3 350.409 2.965 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(O)ccc1Br ZINC001258266308 1039291450 /nfs/dbraw/zinc/29/14/50/1039291450.db2.gz ANHRQKDQGCFKPM-UHFFFAOYSA-N -1 3 353.197 2.827 20 30 FFEDHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259125556 1039733021 /nfs/dbraw/zinc/73/30/21/1039733021.db2.gz IPCAYFXANAFNTD-UHFFFAOYSA-N -1 3 362.382 2.604 20 30 FFEDHM COc1cc([O-])c(CN2CC[C@](C)(C#N)C2)cc1I ZINC001248476523 1040293892 /nfs/dbraw/zinc/29/38/92/1040293892.db2.gz JAWQWKOZTIVRIS-CQSZACIVSA-N -1 3 372.206 2.741 20 30 FFEDHM O=S(=O)(OCc1cn(-c2ccc(Cl)cc2[O-])nn1)c1ccccc1 ZINC001254165021 1040591006 /nfs/dbraw/zinc/59/10/06/1040591006.db2.gz HNIGXQSUMUPFCU-UHFFFAOYSA-N -1 3 365.798 2.532 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)OCC ZINC001254755795 1040934874 /nfs/dbraw/zinc/93/48/74/1040934874.db2.gz YRACVNWDWPXLJH-ZDUSSCGKSA-N -1 3 355.387 2.666 20 30 FFEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1 ZINC001261051745 1040961089 /nfs/dbraw/zinc/96/10/89/1040961089.db2.gz XKEPCRYHGFPZRZ-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM CS(=O)(=O)c1ccc(-n2ncc(C#N)c2Nc2c([O-])cccc2F)cc1 ZINC001249990568 1041087323 /nfs/dbraw/zinc/08/73/23/1041087323.db2.gz LTORUAIDWVDYID-UHFFFAOYSA-N -1 3 372.381 2.736 20 30 FFEDHM Cn1cc(CN2CC3(C2)CN(Cc2ccc(Cl)cc2[O-])C3)cc1C#N ZINC001278558041 1041150331 /nfs/dbraw/zinc/15/03/31/1041150331.db2.gz RVBSXQBGQNEHIA-UHFFFAOYSA-N -1 3 356.857 2.574 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CCC)CC2)ccc1F ZINC001318940770 1044950461 /nfs/dbraw/zinc/95/04/61/1044950461.db2.gz RODFZTCKKOAVBA-UHFFFAOYSA-N -1 3 368.474 2.942 20 30 FFEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccccn1 ZINC001317760493 1045133401 /nfs/dbraw/zinc/13/34/01/1045133401.db2.gz BRMBBTKXIYZDHQ-UHFFFAOYSA-N -1 3 352.419 2.992 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc2c(c1)CCO2 ZINC001323442077 1045592508 /nfs/dbraw/zinc/59/25/08/1045592508.db2.gz JXMAULKGKQTFPK-UHFFFAOYSA-N -1 3 367.430 2.975 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(CC#N)cc3)CCCCCC2)no1 ZINC001323460724 1045599233 /nfs/dbraw/zinc/59/92/33/1045599233.db2.gz FXRVATIKPOHUGA-UHFFFAOYSA-N -1 3 374.466 2.972 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2nnc(COc3ccc(C#N)cc3)o2)cc1 ZINC001323873831 1045759462 /nfs/dbraw/zinc/75/94/62/1045759462.db2.gz PEXMOHRSECIEIY-UHFFFAOYSA-N -1 3 370.390 2.559 20 30 FFEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnc(CC2CC2)o1 ZINC001324161588 1045897475 /nfs/dbraw/zinc/89/74/75/1045897475.db2.gz UINPXYHKFYWPIK-CQSZACIVSA-N -1 3 374.466 2.848 20 30 FFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001330040605 1049014925 /nfs/dbraw/zinc/01/49/25/1049014925.db2.gz LFHVEOFDZIPWSB-ZDUSSCGKSA-N -1 3 361.236 2.700 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](OCCOC)C3)n2C)c1[O-] ZINC001341824978 1050437115 /nfs/dbraw/zinc/43/71/15/1050437115.db2.gz DIIIFHULINMYMM-MRXNPFEDSA-N -1 3 372.469 2.548 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2C)c1[O-] ZINC001340035444 1050445968 /nfs/dbraw/zinc/44/59/68/1050445968.db2.gz HWRNIFQWOIFAME-UHFFFAOYSA-N -1 3 371.485 2.515 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001341841438 1050452458 /nfs/dbraw/zinc/45/24/58/1050452458.db2.gz ZCHSTQZDYVEMGU-GASCZTMLSA-N -1 3 354.458 2.952 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001341869151 1050477704 /nfs/dbraw/zinc/47/77/04/1050477704.db2.gz XIABTONAVBBLPC-MRXNPFEDSA-N -1 3 365.869 2.688 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001341869151 1050477710 /nfs/dbraw/zinc/47/77/10/1050477710.db2.gz XIABTONAVBBLPC-MRXNPFEDSA-N -1 3 365.869 2.688 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)nc2)cc1OC ZINC001341920377 1050517485 /nfs/dbraw/zinc/51/74/85/1050517485.db2.gz IRIOLICBQDOXAY-LBPRGKRZSA-N -1 3 359.769 2.713 20 30 FFEDHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC(F)CC1 ZINC001342101283 1050696273 /nfs/dbraw/zinc/69/62/73/1050696273.db2.gz YUNUTEDHTPIPHO-UHFFFAOYSA-N -1 3 368.416 2.961 20 30 FFEDHM N#C[C@@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2ccccc2)C1 ZINC001342189998 1050782257 /nfs/dbraw/zinc/78/22/57/1050782257.db2.gz PGRYIXSLZRKDBF-ZDUSSCGKSA-N -1 3 368.832 2.505 20 30 FFEDHM N#C[C@@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2ccccc2)C1 ZINC001342189998 1050782269 /nfs/dbraw/zinc/78/22/69/1050782269.db2.gz PGRYIXSLZRKDBF-ZDUSSCGKSA-N -1 3 368.832 2.505 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001340501453 1050897908 /nfs/dbraw/zinc/89/79/08/1050897908.db2.gz KNDZXAAETDAHKY-LLVKDONJSA-N -1 3 358.427 2.584 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)OCCCO2)c1nc(N)c2ccccc2n1 ZINC001342516486 1051120139 /nfs/dbraw/zinc/12/01/39/1051120139.db2.gz ANKJDAZYBHQSNO-CQSZACIVSA-N -1 3 360.373 2.863 20 30 FFEDHM CCn1c(-c2c[n-]c3c(F)cc(F)cc3c2=O)nnc1N(C)[C@@H](C)CC#N ZINC001340983245 1051316642 /nfs/dbraw/zinc/31/66/42/1051316642.db2.gz FXOYPYWNBSODBV-JTQLQIEISA-N -1 3 372.379 2.823 20 30 FFEDHM C#CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(=C)C)C1 ZINC001343404709 1052210017 /nfs/dbraw/zinc/21/00/17/1052210017.db2.gz KPXCOHIBSQKLHI-HNNXBMFYSA-N -1 3 352.442 2.565 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c(Cl)c1 ZINC001346248954 1052803889 /nfs/dbraw/zinc/80/38/89/1052803889.db2.gz YVBMQQOBHQZSNH-JQWIXIFHSA-N -1 3 356.831 2.951 20 30 FFEDHM CC#CC[C@H](NCc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-] ZINC001334852549 1053114956 /nfs/dbraw/zinc/11/49/56/1053114956.db2.gz HJUSGQLQJQTVOQ-HOTGVXAUSA-N -1 3 351.830 2.854 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001336336732 1053933464 /nfs/dbraw/zinc/93/34/64/1053933464.db2.gz DXEPTDSZPFHGJC-GWCFXTLKSA-N -1 3 359.323 2.710 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001351777696 1054994163 /nfs/dbraw/zinc/99/41/63/1054994163.db2.gz MHOSVDXCEKIIBA-OAHLLOKOSA-N -1 3 351.410 2.894 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(C#CC(=O)[N-]OCc2ccccc2)CC1 ZINC000847299182 1055416914 /nfs/dbraw/zinc/41/69/14/1055416914.db2.gz WEQLJTNNUNRVGQ-UHFFFAOYSA-N -1 3 358.438 2.885 20 30 FFEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)Cc1cccc2ccccc21 ZINC001338867521 1055885247 /nfs/dbraw/zinc/88/52/47/1055885247.db2.gz MBQVJIUGDVAKSD-UHFFFAOYSA-N -1 3 374.452 2.552 20 30 FFEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)Cc1cccc2ccccc21 ZINC001338867521 1055885253 /nfs/dbraw/zinc/88/52/53/1055885253.db2.gz MBQVJIUGDVAKSD-UHFFFAOYSA-N -1 3 374.452 2.552 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001339014177 1056016034 /nfs/dbraw/zinc/01/60/34/1056016034.db2.gz DOOFVWUPIPLHOS-DZGCQCFKSA-N -1 3 359.430 2.610 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@H](COCC)C3)n2C)c1[O-] ZINC001339315331 1056322115 /nfs/dbraw/zinc/32/21/15/1056322115.db2.gz DWQBCZVKGLWOPT-MRXNPFEDSA-N -1 3 372.469 2.548 20 30 FFEDHM Cn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC[C@@H](CC#N)C1 ZINC001339507624 1056530011 /nfs/dbraw/zinc/53/00/11/1056530011.db2.gz GIRFGISREZIGSD-AWEZNQCLSA-N -1 3 363.425 2.503 20 30 FFEDHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CC[C@@H](CF)C1 ZINC001339568328 1056592674 /nfs/dbraw/zinc/59/26/74/1056592674.db2.gz SCNGWRLVNKLSHO-AWEZNQCLSA-N -1 3 368.416 2.818 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2[nH]c3ccccc3c2C#N)[n-]n1 ZINC001452098909 1059183666 /nfs/dbraw/zinc/18/36/66/1059183666.db2.gz IUSPLBRRFIYMRK-UHFFFAOYSA-N -1 3 351.366 2.970 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2[nH]c3ccccc3c2C#N)n[n-]1 ZINC001452098909 1059183673 /nfs/dbraw/zinc/18/36/73/1059183673.db2.gz IUSPLBRRFIYMRK-UHFFFAOYSA-N -1 3 351.366 2.970 20 30 FFEDHM COCCN(CC(=O)N([O-])Cc1ccccc1Cl)C(=O)OC(C)(C)C ZINC001472619755 1065112404 /nfs/dbraw/zinc/11/24/04/1065112404.db2.gz FJUPMUSFLXMOKF-UHFFFAOYSA-N -1 3 372.849 2.941 20 30 FFEDHM CCCCN([O-])C(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC ZINC001472620839 1065113220 /nfs/dbraw/zinc/11/32/20/1065113220.db2.gz VIBFFGZKBGHMAF-RDTXWAMCSA-N -1 3 359.426 2.976 20 30 FFEDHM C[C@@H]1Cn2nc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)cc2CN1 ZINC001576873766 1078284301 /nfs/dbraw/zinc/28/43/01/1078284301.db2.gz TXIXQLRFDPTWIU-SECBINFHSA-N -1 3 355.225 2.713 20 30 FFEDHM CCc1cc(C#N)ccc1OC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001578495459 1078482836 /nfs/dbraw/zinc/48/28/36/1078482836.db2.gz MKFTWXBLNLIJGG-UHFFFAOYSA-N -1 3 362.393 2.586 20 30 FFEDHM CCc1cc(C#N)ccc1OC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001578495459 1078482839 /nfs/dbraw/zinc/48/28/39/1078482839.db2.gz MKFTWXBLNLIJGG-UHFFFAOYSA-N -1 3 362.393 2.586 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001579258619 1078603980 /nfs/dbraw/zinc/60/39/80/1078603980.db2.gz ZJDKSHRXYFETPX-UHFFFAOYSA-N -1 3 369.335 2.680 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001579258619 1078603983 /nfs/dbraw/zinc/60/39/83/1078603983.db2.gz ZJDKSHRXYFETPX-UHFFFAOYSA-N -1 3 369.335 2.680 20 30 FFEDHM Cc1cc(NC(=O)CC#Cc2ccccc2)c(-c2nnn[n-]2)cc1N(C)C ZINC001580979493 1078901373 /nfs/dbraw/zinc/90/13/73/1078901373.db2.gz PHNJVAYWOLIESE-UHFFFAOYSA-N -1 3 360.421 2.621 20 30 FFEDHM Cc1cc(NC(=O)CC#Cc2ccccc2)c(-c2nn[n-]n2)cc1N(C)C ZINC001580979493 1078901381 /nfs/dbraw/zinc/90/13/81/1078901381.db2.gz PHNJVAYWOLIESE-UHFFFAOYSA-N -1 3 360.421 2.621 20 30 FFEDHM N#Cc1cc(Cl)cc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC001581866592 1079010331 /nfs/dbraw/zinc/01/03/31/1079010331.db2.gz LBGQAESEZQLQOZ-UHFFFAOYSA-N -1 3 368.813 2.533 20 30 FFEDHM N#Cc1cc(Cl)cc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC001581866592 1079010336 /nfs/dbraw/zinc/01/03/36/1079010336.db2.gz LBGQAESEZQLQOZ-UHFFFAOYSA-N -1 3 368.813 2.533 20 30 FFEDHM CCn1nccc1[C@@H]1OCCC[C@@H]1C=NNc1nc2c(c(=O)[n-]1)CCCC2 ZINC001552453896 1075076612 /nfs/dbraw/zinc/07/66/12/1075076612.db2.gz NHUOEMNYZAZGRA-CXAGYDPISA-N -1 3 370.457 2.843 20 30 FFEDHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(C#N)c(Cl)c3)c2c1=O ZINC001559000861 1076113045 /nfs/dbraw/zinc/11/30/45/1076113045.db2.gz DOIYJNHRGZEQMM-UHFFFAOYSA-N -1 3 355.785 2.830 20 30 FFEDHM O=C(Cn1nnnc1-c1ccccc1)N([O-])Cc1cccc2ccccc21 ZINC001559036589 1076118183 /nfs/dbraw/zinc/11/81/83/1076118183.db2.gz PJSNNDOGDCFLNJ-UHFFFAOYSA-N -1 3 359.389 2.911 20 30 FFEDHM Cc1ccc2c(c1)C(=O)N(CC(=O)N([O-])Cc1ccccc1Cl)C2=O ZINC001559033626 1076118273 /nfs/dbraw/zinc/11/82/73/1076118273.db2.gz QFJYPBMEGZTAHW-UHFFFAOYSA-N -1 3 358.781 2.662 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001559388043 1076154580 /nfs/dbraw/zinc/15/45/80/1076154580.db2.gz VWFREMOHGNLDPW-NEPJUHHUSA-N -1 3 354.476 2.765 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC001561913166 1076443500 /nfs/dbraw/zinc/44/35/00/1076443500.db2.gz MPMHPLMGDHPOCB-CZUORRHYSA-N -1 3 366.801 2.962 20 30 FFEDHM COc1cccc(F)c1C[N-]S(=O)(=O)c1c(C)cc(F)cc1C#N ZINC001561973101 1076457712 /nfs/dbraw/zinc/45/77/12/1076457712.db2.gz ZOCXIEVWZZLFSK-UHFFFAOYSA-N -1 3 352.362 2.632 20 30 FFEDHM C#C[C@@H](CCC)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001568602755 1077102715 /nfs/dbraw/zinc/10/27/15/1077102715.db2.gz WWWLNNIYXUDFFG-JTQLQIEISA-N -1 3 352.312 2.958 20 30 FFEDHM C[C@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001573630483 1077759131 /nfs/dbraw/zinc/75/91/31/1077759131.db2.gz KLUXRDITMLSSDH-IFXJQAMLSA-N -1 3 363.417 2.561 20 30 FFEDHM C#C[C@H](CCC)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588327714 1079984169 /nfs/dbraw/zinc/98/41/69/1079984169.db2.gz PJGWVCVHTSLDQI-SECBINFHSA-N -1 3 368.319 2.689 20 30 FFEDHM C#C[C@H](CCC)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588327714 1079984173 /nfs/dbraw/zinc/98/41/73/1079984173.db2.gz PJGWVCVHTSLDQI-SECBINFHSA-N -1 3 368.319 2.689 20 30 FFEDHM C#C[C@H](Nc1nnc(C)c(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001588329176 1079986029 /nfs/dbraw/zinc/98/60/29/1079986029.db2.gz ZKVAZQFJNWZEIM-ZDUSSCGKSA-N -1 3 357.780 2.852 20 30 FFEDHM C#C[C@H](Nc1nnc(C)c(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001588329176 1079986036 /nfs/dbraw/zinc/98/60/36/1079986036.db2.gz ZKVAZQFJNWZEIM-ZDUSSCGKSA-N -1 3 357.780 2.852 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001588333792 1079987475 /nfs/dbraw/zinc/98/74/75/1079987475.db2.gz DUODUYKTKYMUTL-HNNXBMFYSA-N -1 3 350.357 2.892 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001588333792 1079987480 /nfs/dbraw/zinc/98/74/80/1079987480.db2.gz DUODUYKTKYMUTL-HNNXBMFYSA-N -1 3 350.357 2.892 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588351722 1079991922 /nfs/dbraw/zinc/99/19/22/1079991922.db2.gz GXYDSHXDLWUPKZ-UHFFFAOYSA-N -1 3 356.389 2.624 20 30 FFEDHM C#CCOc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588363166 1079993400 /nfs/dbraw/zinc/99/34/00/1079993400.db2.gz ODRKPPGYLHKXFK-UHFFFAOYSA-N -1 3 365.418 2.610 20 30 FFEDHM C#CCOc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588363166 1079993405 /nfs/dbraw/zinc/99/34/05/1079993405.db2.gz ODRKPPGYLHKXFK-UHFFFAOYSA-N -1 3 365.418 2.610 20 30 FFEDHM C#CCOc1ccc(NC(=O)N(C)Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC001588362041 1079993610 /nfs/dbraw/zinc/99/36/10/1079993610.db2.gz PVQLSXNGULZJIM-UHFFFAOYSA-N -1 3 368.422 2.604 20 30 FFEDHM C#CCOc1ccc(NC(=O)N(C)Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC001588362041 1079993614 /nfs/dbraw/zinc/99/36/14/1079993614.db2.gz PVQLSXNGULZJIM-UHFFFAOYSA-N -1 3 368.422 2.604 20 30 FFEDHM C#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001588373122 1079996318 /nfs/dbraw/zinc/99/63/18/1079996318.db2.gz AQFPBBWJNGGFEB-UHFFFAOYSA-N -1 3 352.785 2.823 20 30 FFEDHM C#Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001588373122 1079996326 /nfs/dbraw/zinc/99/63/26/1079996326.db2.gz AQFPBBWJNGGFEB-UHFFFAOYSA-N -1 3 352.785 2.823 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588402947 1080009783 /nfs/dbraw/zinc/00/97/83/1080009783.db2.gz QSDUMWNIFSDASO-HAQNSBGRSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588402947 1080009790 /nfs/dbraw/zinc/00/97/90/1080009790.db2.gz QSDUMWNIFSDASO-HAQNSBGRSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588419549 1080020456 /nfs/dbraw/zinc/02/04/56/1080020456.db2.gz NKEFNEDNQQSJDS-SHTZXODSSA-N -1 3 369.473 2.766 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588419549 1080020465 /nfs/dbraw/zinc/02/04/65/1080020465.db2.gz NKEFNEDNQQSJDS-SHTZXODSSA-N -1 3 369.473 2.766 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001588429704 1080025969 /nfs/dbraw/zinc/02/59/69/1080025969.db2.gz MWJQIEJABYKECB-KBPBESRZSA-N -1 3 364.457 2.794 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001588429704 1080025978 /nfs/dbraw/zinc/02/59/78/1080025978.db2.gz MWJQIEJABYKECB-KBPBESRZSA-N -1 3 364.457 2.794 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H](C)C1 ZINC001588437159 1080026391 /nfs/dbraw/zinc/02/63/91/1080026391.db2.gz UJOVJIHKSQEKLL-CQSZACIVSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H](C)C1 ZINC001588437159 1080026400 /nfs/dbraw/zinc/02/64/00/1080026400.db2.gz UJOVJIHKSQEKLL-CQSZACIVSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2cnc(C)c(-c3nnn[n-]3)c2)nnc1N(C)CCCC ZINC001588436591 1080026793 /nfs/dbraw/zinc/02/67/93/1080026793.db2.gz MWTFCTMOMODLKN-UHFFFAOYSA-N -1 3 367.461 2.641 20 30 FFEDHM C=C(C)Cn1c(-c2cnc(C)c(-c3nn[n-]n3)c2)nnc1N(C)CCCC ZINC001588436591 1080026802 /nfs/dbraw/zinc/02/68/02/1080026802.db2.gz MWTFCTMOMODLKN-UHFFFAOYSA-N -1 3 367.461 2.641 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001588448975 1080031211 /nfs/dbraw/zinc/03/12/11/1080031211.db2.gz IJOVHFBWEVYLOY-UHFFFAOYSA-N -1 3 353.426 2.593 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588469270 1080039078 /nfs/dbraw/zinc/03/90/78/1080039078.db2.gz ZYBQIVWPLUUZLX-HNNXBMFYSA-N -1 3 371.489 2.759 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588469270 1080039083 /nfs/dbraw/zinc/03/90/83/1080039083.db2.gz ZYBQIVWPLUUZLX-HNNXBMFYSA-N -1 3 371.489 2.759 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CCCC)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588474868 1080041889 /nfs/dbraw/zinc/04/18/89/1080041889.db2.gz HLIDHYXOKHPYJC-AWEZNQCLSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CCCC)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588474868 1080041896 /nfs/dbraw/zinc/04/18/96/1080041896.db2.gz HLIDHYXOKHPYJC-AWEZNQCLSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588484501 1080049297 /nfs/dbraw/zinc/04/92/97/1080049297.db2.gz FVGCPRMBUOMQIO-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588484501 1080049306 /nfs/dbraw/zinc/04/93/06/1080049306.db2.gz FVGCPRMBUOMQIO-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588490941 1080052186 /nfs/dbraw/zinc/05/21/86/1080052186.db2.gz BOCMTQWJWQUSFK-KUHUBIRLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588490941 1080052191 /nfs/dbraw/zinc/05/21/91/1080052191.db2.gz BOCMTQWJWQUSFK-KUHUBIRLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001588518571 1080069349 /nfs/dbraw/zinc/06/93/49/1080069349.db2.gz GMQNWWMRNGEULX-CZUORRHYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001588518571 1080069355 /nfs/dbraw/zinc/06/93/55/1080069355.db2.gz GMQNWWMRNGEULX-CZUORRHYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588518788 1080069612 /nfs/dbraw/zinc/06/96/12/1080069612.db2.gz LKACWQCMGRBUCQ-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588518788 1080069620 /nfs/dbraw/zinc/06/96/20/1080069620.db2.gz LKACWQCMGRBUCQ-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588520832 1080073582 /nfs/dbraw/zinc/07/35/82/1080073582.db2.gz FXSCKKCNIJIHGQ-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588520832 1080073590 /nfs/dbraw/zinc/07/35/90/1080073590.db2.gz FXSCKKCNIJIHGQ-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588527912 1080078313 /nfs/dbraw/zinc/07/83/13/1080078313.db2.gz ZBLVVTKZCNYYKS-CYBMUJFWSA-N -1 3 358.471 2.839 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588527912 1080078321 /nfs/dbraw/zinc/07/83/21/1080078321.db2.gz ZBLVVTKZCNYYKS-CYBMUJFWSA-N -1 3 358.471 2.839 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588559394 1080096864 /nfs/dbraw/zinc/09/68/64/1080096864.db2.gz JWXDUODBCATIIX-GUYCJALGSA-N -1 3 352.442 2.852 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588559394 1080096872 /nfs/dbraw/zinc/09/68/72/1080096872.db2.gz JWXDUODBCATIIX-GUYCJALGSA-N -1 3 352.442 2.852 20 30 FFEDHM C=CC[C@H]1CCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588565103 1080100338 /nfs/dbraw/zinc/10/03/38/1080100338.db2.gz WGHVUMURGGDRCQ-AWEZNQCLSA-N -1 3 365.393 2.829 20 30 FFEDHM C=CCCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588566308 1080101314 /nfs/dbraw/zinc/10/13/14/1080101314.db2.gz FNKRGNKKIKDAMQ-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588566308 1080101317 /nfs/dbraw/zinc/10/13/17/1080101317.db2.gz FNKRGNKKIKDAMQ-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCC1(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588579551 1080107239 /nfs/dbraw/zinc/10/72/39/1080107239.db2.gz OFGJARGHEYYZPV-MRXNPFEDSA-N -1 3 355.442 2.543 20 30 FFEDHM C=CCCC1(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588579551 1080107243 /nfs/dbraw/zinc/10/72/43/1080107243.db2.gz OFGJARGHEYYZPV-MRXNPFEDSA-N -1 3 355.442 2.543 20 30 FFEDHM C=CCCCC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001588582405 1080108278 /nfs/dbraw/zinc/10/82/78/1080108278.db2.gz JGKPCLXIBAWHNN-INIZCTEOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001588582405 1080108281 /nfs/dbraw/zinc/10/82/81/1080108281.db2.gz JGKPCLXIBAWHNN-INIZCTEOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC001588584722 1080110047 /nfs/dbraw/zinc/11/00/47/1080110047.db2.gz CZBRJFDBPQJJPU-UHFFFAOYSA-N -1 3 361.442 2.693 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(CC)cn1 ZINC001588640487 1080133644 /nfs/dbraw/zinc/13/36/44/1080133644.db2.gz UENILAPNCQSMLL-UHFFFAOYSA-N -1 3 362.437 2.581 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(CC)cn1 ZINC001588640487 1080133648 /nfs/dbraw/zinc/13/36/48/1080133648.db2.gz UENILAPNCQSMLL-UHFFFAOYSA-N -1 3 362.437 2.581 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc(C#N)c1 ZINC001588648257 1080138200 /nfs/dbraw/zinc/13/82/00/1080138200.db2.gz LXCCUCLDQJSZHG-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc(C#N)c1 ZINC001588648257 1080138202 /nfs/dbraw/zinc/13/82/02/1080138202.db2.gz LXCCUCLDQJSZHG-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC001588649662 1080138992 /nfs/dbraw/zinc/13/89/92/1080138992.db2.gz YTXGRHFHQKXSLO-HZPDHXFCSA-N -1 3 364.409 2.713 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@H]1c1ccco1 ZINC001588649662 1080139001 /nfs/dbraw/zinc/13/90/01/1080139001.db2.gz YTXGRHFHQKXSLO-HZPDHXFCSA-N -1 3 364.409 2.713 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nn(C)c2ccccc12 ZINC001588648954 1080139898 /nfs/dbraw/zinc/13/98/98/1080139898.db2.gz WNDRQZCLHQLBBF-UHFFFAOYSA-N -1 3 373.420 2.582 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nn(C)c2ccccc12 ZINC001588648954 1080139902 /nfs/dbraw/zinc/13/99/02/1080139902.db2.gz WNDRQZCLHQLBBF-UHFFFAOYSA-N -1 3 373.420 2.582 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](CC(C)C)C(=O)OCC ZINC001588648894 1080140064 /nfs/dbraw/zinc/14/00/64/1080140064.db2.gz RPPDSVYKUSADLY-KRWDZBQOSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](CC(C)C)C(=O)OCC ZINC001588648894 1080140067 /nfs/dbraw/zinc/14/00/67/1080140067.db2.gz RPPDSVYKUSADLY-KRWDZBQOSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cnn(CC(F)F)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652198 1080141812 /nfs/dbraw/zinc/14/18/12/1080141812.db2.gz OAXVWASLYFEFTP-UHFFFAOYSA-N -1 3 359.384 2.517 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(CC(C)(C)C)n1C ZINC001588652290 1080142403 /nfs/dbraw/zinc/14/24/03/1080142403.db2.gz RSQZUQXGTZIPIS-UHFFFAOYSA-N -1 3 366.473 2.776 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(CC(C)(C)C)n1C ZINC001588652290 1080142407 /nfs/dbraw/zinc/14/24/07/1080142407.db2.gz RSQZUQXGTZIPIS-UHFFFAOYSA-N -1 3 366.473 2.776 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588653644 1080142934 /nfs/dbraw/zinc/14/29/34/1080142934.db2.gz RQAYASBMMXVBMG-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588653644 1080142940 /nfs/dbraw/zinc/14/29/40/1080142940.db2.gz RQAYASBMMXVBMG-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588653475 1080143132 /nfs/dbraw/zinc/14/31/32/1080143132.db2.gz IUXBNSHIUISPFO-UHFFFAOYSA-N -1 3 360.421 2.935 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001588690182 1080155485 /nfs/dbraw/zinc/15/54/85/1080155485.db2.gz WBRKRTXDDLEJGZ-UHFFFAOYSA-N -1 3 363.421 2.978 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001588690182 1080155488 /nfs/dbraw/zinc/15/54/88/1080155488.db2.gz WBRKRTXDDLEJGZ-UHFFFAOYSA-N -1 3 363.421 2.978 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001588697157 1080159249 /nfs/dbraw/zinc/15/92/49/1080159249.db2.gz SIBRFWFIRWRJDU-LBPRGKRZSA-N -1 3 367.461 2.512 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001588697157 1080159253 /nfs/dbraw/zinc/15/92/53/1080159253.db2.gz SIBRFWFIRWRJDU-LBPRGKRZSA-N -1 3 367.461 2.512 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CC1CCC1 ZINC001588699397 1080160965 /nfs/dbraw/zinc/16/09/65/1080160965.db2.gz IOANRLMNDXIGGD-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CC1CCC1 ZINC001588699397 1080160968 /nfs/dbraw/zinc/16/09/68/1080160968.db2.gz IOANRLMNDXIGGD-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM CC#CCCCC(=O)O[C@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001588746236 1080178655 /nfs/dbraw/zinc/17/86/55/1080178655.db2.gz ORKOQQULTBTPKA-HNNXBMFYSA-N -1 3 371.416 2.711 20 30 FFEDHM CC#CCCCC(=O)O[C@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001588746236 1080178658 /nfs/dbraw/zinc/17/86/58/1080178658.db2.gz ORKOQQULTBTPKA-HNNXBMFYSA-N -1 3 371.416 2.711 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588831641 1080210641 /nfs/dbraw/zinc/21/06/41/1080210641.db2.gz GCOAOHGFTWNDTD-SQWLQELKSA-N -1 3 350.484 2.694 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1F ZINC001589015219 1080305060 /nfs/dbraw/zinc/30/50/60/1080305060.db2.gz HNOZVTSKVRFNJZ-VIFPVBQESA-N -1 3 354.320 2.759 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1F ZINC001589015219 1080305067 /nfs/dbraw/zinc/30/50/67/1080305067.db2.gz HNOZVTSKVRFNJZ-VIFPVBQESA-N -1 3 354.320 2.759 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)cn2)cc1-c1nnn[n-]1 ZINC001589203445 1080415737 /nfs/dbraw/zinc/41/57/37/1080415737.db2.gz PWOASDOREDTGHD-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)cn2)cc1-c1nn[n-]n1 ZINC001589203445 1080415742 /nfs/dbraw/zinc/41/57/42/1080415742.db2.gz PWOASDOREDTGHD-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001589258112 1080450385 /nfs/dbraw/zinc/45/03/85/1080450385.db2.gz XRXBMNGSRGVLJB-UHFFFAOYSA-N -1 3 353.361 2.686 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001589258112 1080450387 /nfs/dbraw/zinc/45/03/87/1080450387.db2.gz XRXBMNGSRGVLJB-UHFFFAOYSA-N -1 3 353.361 2.686 20 30 FFEDHM C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589389145 1080512828 /nfs/dbraw/zinc/51/28/28/1080512828.db2.gz WMGUFYGABMGNNL-RYQLBKOJSA-N -1 3 369.465 2.518 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589701437 1080677302 /nfs/dbraw/zinc/67/73/02/1080677302.db2.gz DCPLZLLCOKYJRG-UHFFFAOYSA-N -1 3 360.421 2.718 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589701437 1080677308 /nfs/dbraw/zinc/67/73/08/1080677308.db2.gz DCPLZLLCOKYJRG-UHFFFAOYSA-N -1 3 360.421 2.718 20 30 FFEDHM C[C@@H](CCC#N)c1nnc(N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1C ZINC001589803114 1080759992 /nfs/dbraw/zinc/75/99/92/1080759992.db2.gz NNWLQRLLCHFJGU-STQMWFEESA-N -1 3 365.445 2.600 20 30 FFEDHM C[C@@H](CCC#N)c1nnc(N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1C ZINC001589803114 1080760004 /nfs/dbraw/zinc/76/00/04/1080760004.db2.gz NNWLQRLLCHFJGU-STQMWFEESA-N -1 3 365.445 2.600 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589933244 1080875360 /nfs/dbraw/zinc/87/53/60/1080875360.db2.gz YRRAMHNFNUOBTJ-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589933244 1080875365 /nfs/dbraw/zinc/87/53/65/1080875365.db2.gz YRRAMHNFNUOBTJ-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)NCC1CCC(C#N)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589933516 1080875607 /nfs/dbraw/zinc/87/56/07/1080875607.db2.gz KNWGSKHPJMAGCA-HSBZDZAISA-N -1 3 353.430 2.557 20 30 FFEDHM C[C@H](NC(=O)NCC1CCC(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589933516 1080875613 /nfs/dbraw/zinc/87/56/13/1080875613.db2.gz KNWGSKHPJMAGCA-HSBZDZAISA-N -1 3 353.430 2.557 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(OCC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589937181 1080882097 /nfs/dbraw/zinc/88/20/97/1080882097.db2.gz YGVXEBZYYAMRAE-GFCCVEGCSA-N -1 3 363.381 2.652 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(OCC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589937181 1080882107 /nfs/dbraw/zinc/88/21/07/1080882107.db2.gz YGVXEBZYYAMRAE-GFCCVEGCSA-N -1 3 363.381 2.652 20 30 FFEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1Cl ZINC001589989229 1080925185 /nfs/dbraw/zinc/92/51/85/1080925185.db2.gz APRCXRDBEVHOSK-KRWDZBQOSA-N -1 3 354.801 2.711 20 30 FFEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1Cl ZINC001589989229 1080925192 /nfs/dbraw/zinc/92/51/92/1080925192.db2.gz APRCXRDBEVHOSK-KRWDZBQOSA-N -1 3 354.801 2.711 20 30 FFEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cc(F)ccc1F ZINC001590037943 1080962363 /nfs/dbraw/zinc/96/23/63/1080962363.db2.gz TYPPOGCPJOEQJR-ZETCQYMHSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cc(F)ccc1F ZINC001590037943 1080962367 /nfs/dbraw/zinc/96/23/67/1080962367.db2.gz TYPPOGCPJOEQJR-ZETCQYMHSA-N -1 3 359.365 2.847 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ncoc1-c1ccccc1 ZINC000366637322 512117394 /nfs/dbraw/zinc/11/73/94/512117394.db2.gz IVZQWEFIPPHBTA-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000286061845 257018277 /nfs/dbraw/zinc/01/82/77/257018277.db2.gz REBIAVFZXFGBAY-QGZVFWFLSA-N -1 3 353.426 2.685 20 30 FFEDHM N#Cc1nccnc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000301198846 258033319 /nfs/dbraw/zinc/03/33/19/258033319.db2.gz VJPDNRDLDUAHRE-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)cs2)s1 ZINC000230340924 509436612 /nfs/dbraw/zinc/43/66/12/509436612.db2.gz KTBVHNZCOVSLJQ-UHFFFAOYSA-N -1 3 363.283 2.922 20 30 FFEDHM COc1ccccc1[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)N1CCCC1 ZINC000005111009 506422590 /nfs/dbraw/zinc/42/25/90/506422590.db2.gz VKROOCKNVDYPQH-VVJWVBNBSA-N -1 3 369.465 2.853 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000425190626 513443856 /nfs/dbraw/zinc/44/38/56/513443856.db2.gz SCLFUXDCGRYCCQ-DTWKUNHWSA-N -1 3 352.309 2.695 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2ccc(F)cc21 ZINC000047370450 507317398 /nfs/dbraw/zinc/31/73/98/507317398.db2.gz IHSHGPJXZSIWQF-UHFFFAOYSA-N -1 3 353.397 2.915 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1C#N ZINC000063586814 507747816 /nfs/dbraw/zinc/74/78/16/507747816.db2.gz RNCOINGVUBCJLI-INIZCTEOSA-N -1 3 370.478 2.722 20 30 FFEDHM CCO[C@@H](CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1 ZINC000080017534 508027406 /nfs/dbraw/zinc/02/74/06/508027406.db2.gz HRZNQJMJDUMYKQ-IBGZPJMESA-N -1 3 373.497 2.898 20 30 FFEDHM N#CCCCS(=O)(=O)[N-][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000111329388 508091011 /nfs/dbraw/zinc/09/10/11/508091011.db2.gz NBKGRCLILKQARR-QGZVFWFLSA-N -1 3 357.435 2.590 20 30 FFEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 ZINC000076204375 508169542 /nfs/dbraw/zinc/16/95/42/508169542.db2.gz BWFXWZXZMMOESA-UHFFFAOYSA-N -1 3 357.435 2.987 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)c1 ZINC000081731797 508207770 /nfs/dbraw/zinc/20/77/70/508207770.db2.gz DHHONNVPWZPKMQ-UHFFFAOYSA-N -1 3 364.423 2.703 20 30 FFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)cc1Cl ZINC000121736856 508406871 /nfs/dbraw/zinc/40/68/71/508406871.db2.gz DEBLGMLNZUYUJJ-ZDUSSCGKSA-N -1 3 361.826 2.654 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC000156698368 508464260 /nfs/dbraw/zinc/46/42/60/508464260.db2.gz UPCQFEGPVYBMTH-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM Cc1cccnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157264909 508544864 /nfs/dbraw/zinc/54/48/64/508544864.db2.gz JKIVEAXAITVRBH-UHFFFAOYSA-N -1 3 355.341 2.759 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000128218534 508564865 /nfs/dbraw/zinc/56/48/65/508564865.db2.gz UNHCKPVHHMULBS-CYBMUJFWSA-N -1 3 368.418 2.789 20 30 FFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000116905200 508570358 /nfs/dbraw/zinc/57/03/58/508570358.db2.gz YNPWIMRZDBBHMI-VIFPVBQESA-N -1 3 373.272 2.577 20 30 FFEDHM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157484902 508572513 /nfs/dbraw/zinc/57/25/13/508572513.db2.gz YIELFMLUYQYVSS-APPDUMDISA-N -1 3 357.391 2.678 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1 ZINC000157606609 508586713 /nfs/dbraw/zinc/58/67/13/508586713.db2.gz ZVILHFHDOFAJFC-INIZCTEOSA-N -1 3 359.426 2.645 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1F ZINC000157649122 508591707 /nfs/dbraw/zinc/59/17/07/508591707.db2.gz JXRDFDHWFMQOSE-FZMZJTMJSA-N -1 3 352.337 2.810 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000157835828 508619858 /nfs/dbraw/zinc/61/98/58/508619858.db2.gz JFEYXWBJPLRHLM-CHWSQXEVSA-N -1 3 362.373 2.813 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1OC ZINC000135545400 508620709 /nfs/dbraw/zinc/62/07/09/508620709.db2.gz SETGZZPPKOSOSR-UHFFFAOYSA-N -1 3 365.393 2.616 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1OC ZINC000135545400 508620712 /nfs/dbraw/zinc/62/07/12/508620712.db2.gz SETGZZPPKOSOSR-UHFFFAOYSA-N -1 3 365.393 2.616 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)cn1 ZINC000153840979 508660008 /nfs/dbraw/zinc/66/00/08/508660008.db2.gz DKXMCLKLLVTIFK-UHFFFAOYSA-N -1 3 356.451 2.740 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)COCc1ccccc1 ZINC000151097313 508955897 /nfs/dbraw/zinc/95/58/97/508955897.db2.gz ZXJGBIZNZBKTDJ-AWEZNQCLSA-N -1 3 362.426 2.829 20 30 FFEDHM C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000160617199 509010917 /nfs/dbraw/zinc/01/09/17/509010917.db2.gz QJHQVUAAHQNMEF-ZCFIWIBFSA-N -1 3 357.151 2.658 20 30 FFEDHM CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nnc2ccccn21 ZINC000125852546 509037474 /nfs/dbraw/zinc/03/74/74/509037474.db2.gz VXHYTCCKIXZLFQ-AWEZNQCLSA-N -1 3 373.413 2.560 20 30 FFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000160874718 509042266 /nfs/dbraw/zinc/04/22/66/509042266.db2.gz UAJDPSYOPMSFPL-QMMMGPOBSA-N -1 3 367.652 2.692 20 30 FFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000126108351 509063861 /nfs/dbraw/zinc/06/38/61/509063861.db2.gz CVRDHDYNLFVAFX-UHFFFAOYSA-N -1 3 353.831 2.803 20 30 FFEDHM COc1cc(OC)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000120923419 509089671 /nfs/dbraw/zinc/08/96/71/509089671.db2.gz PSJMOLKVQIFHHT-UHFFFAOYSA-N -1 3 373.384 2.591 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000156279248 509154345 /nfs/dbraw/zinc/15/43/45/509154345.db2.gz GFHVSRWMSGPDFY-LLVKDONJSA-N -1 3 362.373 2.813 20 30 FFEDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000162883043 509314736 /nfs/dbraw/zinc/31/47/36/509314736.db2.gz AKXTYPDNSPZBAX-NXEZZACHSA-N -1 3 362.373 2.811 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCC[C@H](C)C1 ZINC000249294644 509651036 /nfs/dbraw/zinc/65/10/36/509651036.db2.gz MBBLVSGBXWQORT-QWHCGFSZSA-N -1 3 355.891 2.610 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)c(Cl)c1 ZINC000180070757 509737273 /nfs/dbraw/zinc/73/72/73/509737273.db2.gz OOVTVBGOYLBCJJ-LSDHHAIUSA-N -1 3 364.858 2.870 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1 ZINC000183660417 509912526 /nfs/dbraw/zinc/91/25/26/509912526.db2.gz DAFIOUIFXNDQHR-NSHDSACASA-N -1 3 363.826 2.517 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c(C(F)(F)F)c1 ZINC000268527812 509990626 /nfs/dbraw/zinc/99/06/26/509990626.db2.gz WMKVIGFMRDISRE-YUTCNCBUSA-N -1 3 374.384 2.813 20 30 FFEDHM CCS[C@@H]1CC[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000174365369 510078452 /nfs/dbraw/zinc/07/84/52/510078452.db2.gz XRZJVNWCBFFUPZ-HUUCEWRRSA-N -1 3 361.511 2.929 20 30 FFEDHM C#CCCCCNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000184016092 510089192 /nfs/dbraw/zinc/08/91/92/510089192.db2.gz ZWXGLICRFIFDMG-UHFFFAOYSA-N -1 3 371.462 2.872 20 30 FFEDHM C=CCN1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000194052407 510194254 /nfs/dbraw/zinc/19/42/54/510194254.db2.gz OXONYRKVZHXJST-UHFFFAOYSA-N -1 3 360.845 2.612 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCC(C)CC1 ZINC000184220896 510200225 /nfs/dbraw/zinc/20/02/25/510200225.db2.gz WKTBPRPILUSSKI-ZDUSSCGKSA-N -1 3 355.891 2.610 20 30 FFEDHM C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000190608846 510238238 /nfs/dbraw/zinc/23/82/38/510238238.db2.gz LYCIPOCMQCMWBC-PXAZEXFGSA-N -1 3 371.387 2.994 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187428223 510260618 /nfs/dbraw/zinc/26/06/18/510260618.db2.gz UTCAPLXJXQBITG-CQSZACIVSA-N -1 3 371.886 2.837 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177827127 510275564 /nfs/dbraw/zinc/27/55/64/510275564.db2.gz NCFUVJIFCUNRHY-HXUWFJFHSA-N -1 3 370.453 2.533 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000177828687 510276088 /nfs/dbraw/zinc/27/60/88/510276088.db2.gz FNLJSRLMKWDOBS-UHFFFAOYSA-N -1 3 372.328 2.529 20 30 FFEDHM O=C(c1ccc2c(c1)COC2)C(C(=S)[N-]C1CC1)[n+]1cc([O-])ccc1F ZINC000269411451 510392898 /nfs/dbraw/zinc/39/28/98/510392898.db2.gz JKQQDRDOPDIHMJ-UHFFFAOYSA-O -1 3 373.429 2.540 20 30 FFEDHM C=C(C)CN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000181745023 510570550 /nfs/dbraw/zinc/57/05/50/510570550.db2.gz PXQLKWDXYAJUAI-UHFFFAOYSA-N -1 3 357.451 2.942 20 30 FFEDHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184940536 510595817 /nfs/dbraw/zinc/59/58/17/510595817.db2.gz RMHXPWOAYWRGNI-LBPRGKRZSA-N -1 3 351.859 2.850 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000184979948 510615616 /nfs/dbraw/zinc/61/56/16/510615616.db2.gz HWZXFUHWTJWLQT-LLVKDONJSA-N -1 3 358.467 2.515 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000184985184 510618569 /nfs/dbraw/zinc/61/85/69/510618569.db2.gz ZICRSJGGWMKDCC-ZDUSSCGKSA-N -1 3 356.513 2.620 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1F ZINC000178534827 510651413 /nfs/dbraw/zinc/65/14/13/510651413.db2.gz DSOCEUIFQUGYJS-UHFFFAOYSA-N -1 3 368.817 2.880 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)cc1OC ZINC000182007624 510705512 /nfs/dbraw/zinc/70/55/12/510705512.db2.gz FSSHPKLORHNZEF-BZNIZROVSA-N -1 3 356.419 2.594 20 30 FFEDHM N#CCc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000270188081 510708122 /nfs/dbraw/zinc/70/81/22/510708122.db2.gz BFXMXKSSJCKDAW-UHFFFAOYSA-N -1 3 363.417 2.949 20 30 FFEDHM CC[C@@H](C#N)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182275735 510840621 /nfs/dbraw/zinc/84/06/21/510840621.db2.gz VAYFKXRXLVYIOK-WMZOPIPTSA-N -1 3 351.406 2.672 20 30 FFEDHM O=C(NCc1ccc([O-])c(Br)c1)N1CCN(C2CCC2)CC1 ZINC000330186779 510932258 /nfs/dbraw/zinc/93/22/58/510932258.db2.gz SIGVKNCFWXOASZ-UHFFFAOYSA-N -1 3 368.275 2.739 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CSCCN2Cc2ccccc2)c1[O-] ZINC000277604361 510967731 /nfs/dbraw/zinc/96/77/31/510967731.db2.gz ZZADWQURNFHPDE-PGNNWUFWSA-N -1 3 371.506 2.624 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286492093 511026362 /nfs/dbraw/zinc/02/63/62/511026362.db2.gz WSEBAVLILOTPKK-SJKOYZFVSA-N -1 3 364.829 2.791 20 30 FFEDHM C#C[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)(C)C ZINC000288085305 511063868 /nfs/dbraw/zinc/06/38/68/511063868.db2.gz FZSKNWZDWNXDNA-MRXNPFEDSA-N -1 3 352.438 2.649 20 30 FFEDHM C=CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000289764480 511114207 /nfs/dbraw/zinc/11/42/07/511114207.db2.gz RYFAQSYZWDNRFQ-HNNXBMFYSA-N -1 3 369.469 2.646 20 30 FFEDHM COc1ccccc1C(=O)C(C(=S)[N-]C1CCC1)[n+]1cccc([O-])c1 ZINC000292339216 511559192 /nfs/dbraw/zinc/55/91/92/511559192.db2.gz ONSLLKBQRJWBIQ-UHFFFAOYSA-O -1 3 357.455 2.769 20 30 FFEDHM CCOC(=O)C[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(F)cc1 ZINC000299247100 511564564 /nfs/dbraw/zinc/56/45/64/511564564.db2.gz SNNAZYXLXRZEAK-KQFRHJRUSA-N -1 3 360.385 2.840 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(N3CCOC3=O)cc2)c1[O-] ZINC000299285156 511578569 /nfs/dbraw/zinc/57/85/69/511578569.db2.gz ZBBBLFXVEQEDCA-FZTAQKCPSA-N -1 3 355.394 2.725 20 30 FFEDHM [O-]c1c(O)ccc(/C=N/CCCCn2cc(Br)cn2)c1O ZINC000280888196 511642595 /nfs/dbraw/zinc/64/25/95/511642595.db2.gz DWCWXHNQPYGJBC-FRKPEAEDSA-N -1 3 354.204 2.662 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2cccc(C(=O)N3CCCC3)c2C)c1[O-] ZINC000299505970 511661085 /nfs/dbraw/zinc/66/10/85/511661085.db2.gz LNWPLEVENBBVLJ-SSDVNMTOSA-N -1 3 353.422 2.883 20 30 FFEDHM CCOC(=O)c1nnc(C2CCN(c3nc(C)c(C#N)cc3Cl)CC2)[n-]1 ZINC000292629942 511666836 /nfs/dbraw/zinc/66/68/36/511666836.db2.gz OBPUDEPDJHLHCE-UHFFFAOYSA-N -1 3 374.832 2.594 20 30 FFEDHM CCOC(=O)c1nc(C2CCN(c3nc(C)c(C#N)cc3Cl)CC2)n[n-]1 ZINC000292629942 511666842 /nfs/dbraw/zinc/66/68/42/511666842.db2.gz OBPUDEPDJHLHCE-UHFFFAOYSA-N -1 3 374.832 2.594 20 30 FFEDHM CCOC(=O)c1n[n-]c(C2CCN(c3nc(C)c(C#N)cc3Cl)CC2)n1 ZINC000292629942 511666846 /nfs/dbraw/zinc/66/68/46/511666846.db2.gz OBPUDEPDJHLHCE-UHFFFAOYSA-N -1 3 374.832 2.594 20 30 FFEDHM COc1cc(Cl)cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1[O-] ZINC000292715594 511695431 /nfs/dbraw/zinc/69/54/31/511695431.db2.gz DRTDKAKUVDPXEM-OAHLLOKOSA-N -1 3 359.813 2.974 20 30 FFEDHM CCN(C(=O)CNC(=O)c1cccc([O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000274435143 511833286 /nfs/dbraw/zinc/83/32/86/511833286.db2.gz GNIXKBQMLUZZJD-CQSZACIVSA-N -1 3 351.406 2.603 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000281582491 511899161 /nfs/dbraw/zinc/89/91/61/511899161.db2.gz YIYZIRIWJMUOSX-CQSZACIVSA-N -1 3 368.437 2.821 20 30 FFEDHM C[C@@H]1C[C@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCC1=O ZINC000328936301 511953660 /nfs/dbraw/zinc/95/36/60/511953660.db2.gz FVDSZXCQEUIETG-VXGBXAGGSA-N -1 3 366.439 2.525 20 30 FFEDHM C[C@@H]1CN(Cc2cccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)c2)C[C@H](C)O1 ZINC000328992830 511962978 /nfs/dbraw/zinc/96/29/78/511962978.db2.gz SUXZVGNWKSVKHE-ZOWXZIJZSA-N -1 3 360.414 2.527 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000285228688 512046048 /nfs/dbraw/zinc/04/60/48/512046048.db2.gz YLWDXNAVHHRQBG-LLVKDONJSA-N -1 3 356.366 2.768 20 30 FFEDHM C[C@]1(CNC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)CCCS1 ZINC000329457994 512050630 /nfs/dbraw/zinc/05/06/30/512050630.db2.gz QXLZIOXIXMSVQE-LYRGGWFBSA-N -1 3 354.476 2.683 20 30 FFEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(=O)NC1(C(F)F)CC1 ZINC000411501920 512665120 /nfs/dbraw/zinc/66/51/20/512665120.db2.gz IBBWPEPJBFVPGT-VIFPVBQESA-N -1 3 372.240 2.598 20 30 FFEDHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)c(=O)c2c1 ZINC000376475176 512834284 /nfs/dbraw/zinc/83/42/84/512834284.db2.gz QKXOZGAXFIIBNK-NQIIRXRSSA-N -1 3 365.433 2.904 20 30 FFEDHM C[C@]1([N-]S(=O)(=O)c2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000405961471 512973872 /nfs/dbraw/zinc/97/38/72/512973872.db2.gz OYCVRNMJODCDKA-KRWDZBQOSA-N -1 3 361.492 2.563 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000368746763 513085986 /nfs/dbraw/zinc/08/59/86/513085986.db2.gz STTGYCQODMTLLD-MRXNPFEDSA-N -1 3 357.454 2.626 20 30 FFEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000421165832 513130307 /nfs/dbraw/zinc/13/03/07/513130307.db2.gz NWJDFGLYKZAKAS-INIZCTEOSA-N -1 3 359.451 2.599 20 30 FFEDHM CN(C)c1nc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)cc(=O)[n-]1 ZINC000434111716 513240920 /nfs/dbraw/zinc/24/09/20/513240920.db2.gz OVCAWTMYGCIHHJ-LLVKDONJSA-N -1 3 366.208 2.550 20 30 FFEDHM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429604104 513421679 /nfs/dbraw/zinc/42/16/79/513421679.db2.gz IXBRIGWINSRIGP-HNNXBMFYSA-N -1 3 361.405 2.896 20 30 FFEDHM N#Cc1cccc([N+](=O)[O-])c1NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000425224125 513460535 /nfs/dbraw/zinc/46/05/35/513460535.db2.gz NTOVQWFMNPYXPU-UHFFFAOYSA-N -1 3 366.377 2.889 20 30 FFEDHM C=CCC1(C(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)CCCC1 ZINC000451221305 513604845 /nfs/dbraw/zinc/60/48/45/513604845.db2.gz TUFDYRQDUHGFIK-UHFFFAOYSA-N -1 3 360.458 2.824 20 30 FFEDHM C=CCC1(C(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)CCCC1 ZINC000451221305 513604847 /nfs/dbraw/zinc/60/48/47/513604847.db2.gz TUFDYRQDUHGFIK-UHFFFAOYSA-N -1 3 360.458 2.824 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(N3[N-]C(=O)CCC3=O)cc2)c(Cl)c1 ZINC000430352590 513631704 /nfs/dbraw/zinc/63/17/04/513631704.db2.gz LDFCZNSUNFFBBA-UHFFFAOYSA-N -1 3 368.780 2.622 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000435598865 513632022 /nfs/dbraw/zinc/63/20/22/513632022.db2.gz QHWSKYFNNSNTGW-BXKDBHETSA-N -1 3 366.302 2.770 20 30 FFEDHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000416490220 513800859 /nfs/dbraw/zinc/80/08/59/513800859.db2.gz UTRBTSIIKFHXGY-UHFFFAOYSA-N -1 3 358.847 2.735 20 30 FFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000416526177 513818139 /nfs/dbraw/zinc/81/81/39/513818139.db2.gz CRBOJUWRNWHPTQ-UHFFFAOYSA-N -1 3 356.245 2.539 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(Cc2cccc(Cl)c2)CC1 ZINC000416548013 513828388 /nfs/dbraw/zinc/82/83/88/513828388.db2.gz NWCOKYOBTMMDRT-UHFFFAOYSA-N -1 3 361.854 2.908 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000443017337 513844617 /nfs/dbraw/zinc/84/46/17/513844617.db2.gz ZJBHCCYNTVOUEF-CQSZACIVSA-N -1 3 361.354 2.571 20 30 FFEDHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443091983 513869714 /nfs/dbraw/zinc/86/97/14/513869714.db2.gz FMSIHIBTHHBZJR-UHFFFAOYSA-N -1 3 374.853 2.848 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000416626568 513875322 /nfs/dbraw/zinc/87/53/22/513875322.db2.gz DBRAMDNZKBUWLP-AWEZNQCLSA-N -1 3 365.480 2.567 20 30 FFEDHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000443113286 513875708 /nfs/dbraw/zinc/87/57/08/513875708.db2.gz IAPVSAHRNKEZHC-CYBMUJFWSA-N -1 3 364.389 2.652 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)c(Cl)c1 ZINC000416648227 513886767 /nfs/dbraw/zinc/88/67/67/513886767.db2.gz AHZFHKCFBXRIRT-AWEZNQCLSA-N -1 3 356.875 2.821 20 30 FFEDHM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c([O-])c1C ZINC000436670898 513937080 /nfs/dbraw/zinc/93/70/80/513937080.db2.gz HIPKGAAMBDCSCM-UHFFFAOYSA-N -1 3 350.353 2.880 20 30 FFEDHM C=C(CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000436691543 513945228 /nfs/dbraw/zinc/94/52/28/513945228.db2.gz YUBOAKBSJNLNKB-UHFFFAOYSA-N -1 3 365.433 2.573 20 30 FFEDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443353266 513947989 /nfs/dbraw/zinc/94/79/89/513947989.db2.gz RNDPHDIJKMJCJD-INIZCTEOSA-N -1 3 364.854 2.748 20 30 FFEDHM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000443420011 513965714 /nfs/dbraw/zinc/96/57/14/513965714.db2.gz XUCSHEPTSDZWBX-UHFFFAOYSA-N -1 3 355.423 2.582 20 30 FFEDHM N#CCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436823914 513996164 /nfs/dbraw/zinc/99/61/64/513996164.db2.gz XSOBETUXXWWXDJ-SFHVURJKSA-N -1 3 351.406 2.673 20 30 FFEDHM N#Cc1cccc(N2CCN(C(=O)c3cc4c(cc3[O-])CCCC4)CC2)n1 ZINC000436986222 514064166 /nfs/dbraw/zinc/06/41/66/514064166.db2.gz QQKWVUVRVASUPL-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)N(CC(F)F)CCS2 ZINC000416956982 514067254 /nfs/dbraw/zinc/06/72/54/514067254.db2.gz KTFSURTVDPXZGV-NSHDSACASA-N -1 3 361.439 2.908 20 30 FFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000426992063 514087070 /nfs/dbraw/zinc/08/70/70/514087070.db2.gz PWQRDHHILMQWHK-SFHVURJKSA-N -1 3 365.433 2.801 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000452026516 514144329 /nfs/dbraw/zinc/14/43/29/514144329.db2.gz UPLVMFOCCFXVIB-VIFPVBQESA-N -1 3 354.255 2.607 20 30 FFEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1OC ZINC000427193947 514145304 /nfs/dbraw/zinc/14/53/04/514145304.db2.gz WRKLYVQJPMWXBV-UHFFFAOYSA-N -1 3 354.334 2.654 20 30 FFEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CCNCC1(F)F ZINC000423874473 514272689 /nfs/dbraw/zinc/27/26/89/514272689.db2.gz NLVIJVCNFNRVHV-CPCISQLKSA-N -1 3 358.257 2.929 20 30 FFEDHM Cc1cc([N-]C(=O)[C@H](C)N2CCN(c3ccc(C#N)cc3Cl)CC2)on1 ZINC000444770362 514324309 /nfs/dbraw/zinc/32/43/09/514324309.db2.gz CDQZAHOFAVQOAG-ZDUSSCGKSA-N -1 3 373.844 2.657 20 30 FFEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438350176 514361695 /nfs/dbraw/zinc/36/16/95/514361695.db2.gz FAGSBHLMMALYKT-SNVBAGLBSA-N -1 3 365.377 2.613 20 30 FFEDHM Cc1cc(C(F)(F)F)ccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428392753 514465528 /nfs/dbraw/zinc/46/55/28/514465528.db2.gz VEKFTHHCIYXHFK-UHFFFAOYSA-N -1 3 355.341 2.759 20 30 FFEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000439366665 514538311 /nfs/dbraw/zinc/53/83/11/514538311.db2.gz UROOJLKRWIXXFA-NSHDSACASA-N -1 3 355.435 2.743 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H](C(=O)N[C@H]1CCCC[C@H]1C)C(C)C ZINC000470818206 514624918 /nfs/dbraw/zinc/62/49/18/514624918.db2.gz VQNHGOWCJNKZJS-RDBSUJKOSA-N -1 3 352.504 2.981 20 30 FFEDHM Cc1cc(C#N)cc(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000456007019 514899355 /nfs/dbraw/zinc/89/93/55/514899355.db2.gz RCCXTDJQTDVAHJ-UHFFFAOYSA-N -1 3 364.405 2.562 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)CCCC1 ZINC000498902752 515110074 /nfs/dbraw/zinc/11/00/74/515110074.db2.gz XGIVQKLMWKNELZ-INIZCTEOSA-N -1 3 365.499 2.810 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000480884709 515125696 /nfs/dbraw/zinc/12/56/96/515125696.db2.gz UOPHKFRDVBEBNU-AWEZNQCLSA-N -1 3 373.390 2.528 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000481265140 515269695 /nfs/dbraw/zinc/26/96/95/515269695.db2.gz CARUTPPNWTWLRQ-UHFFFAOYSA-N -1 3 363.370 2.517 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510060958 515420577 /nfs/dbraw/zinc/42/05/77/515420577.db2.gz WYXGTSXFQJWAEG-SECBINFHSA-N -1 3 357.781 2.822 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510060959 515421310 /nfs/dbraw/zinc/42/13/10/515421310.db2.gz WYXGTSXFQJWAEG-VIFPVBQESA-N -1 3 357.781 2.822 20 30 FFEDHM COCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccco1 ZINC000505025134 515433453 /nfs/dbraw/zinc/43/34/53/515433453.db2.gz QMCXRANBJGCIGP-MRXNPFEDSA-N -1 3 357.410 2.695 20 30 FFEDHM C=CCCCCCN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000486422177 515477018 /nfs/dbraw/zinc/47/70/18/515477018.db2.gz WUPIHMRFFOREDA-UHFFFAOYSA-N -1 3 357.451 2.944 20 30 FFEDHM CC(C)(C)C1CCC(C#N)([N-]S(=O)(=O)c2cn3c(n2)CCCC3)CC1 ZINC000468771787 515512696 /nfs/dbraw/zinc/51/26/96/515512696.db2.gz BEVUBPCKWMHDDS-UHFFFAOYSA-N -1 3 364.515 2.996 20 30 FFEDHM Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)ccc1[O-] ZINC000499948738 515530762 /nfs/dbraw/zinc/53/07/62/515530762.db2.gz GLAYBEUERUTTKU-INIZCTEOSA-N -1 3 367.430 2.726 20 30 FFEDHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000510561552 515589369 /nfs/dbraw/zinc/58/93/69/515589369.db2.gz XEEZBRATNZKLKY-KWQFWETISA-N -1 3 350.387 2.607 20 30 FFEDHM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000482203326 515606635 /nfs/dbraw/zinc/60/66/35/515606635.db2.gz XTZUUVUUQLRJDH-UHFFFAOYSA-N -1 3 351.403 2.603 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c1 ZINC000500997062 515932403 /nfs/dbraw/zinc/93/24/03/515932403.db2.gz JPNIROGWXPGCAQ-HNNXBMFYSA-N -1 3 366.801 2.904 20 30 FFEDHM C=CCOc1cccc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000495064363 516054224 /nfs/dbraw/zinc/05/42/24/516054224.db2.gz CLJHVOJVJOGGJT-FQEVSTJZSA-N -1 3 365.389 2.558 20 30 FFEDHM C=CCOc1cccc([N-]S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c1 ZINC000501438002 516106057 /nfs/dbraw/zinc/10/60/57/516106057.db2.gz KNFQBXAUMDVQNX-UHFFFAOYSA-N -1 3 372.446 2.518 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483560601 516133150 /nfs/dbraw/zinc/13/31/50/516133150.db2.gz PCSJGRDADQITEN-UHFFFAOYSA-N -1 3 357.311 2.860 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483560601 516133155 /nfs/dbraw/zinc/13/31/55/516133155.db2.gz PCSJGRDADQITEN-UHFFFAOYSA-N -1 3 357.311 2.860 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483560601 516133160 /nfs/dbraw/zinc/13/31/60/516133160.db2.gz PCSJGRDADQITEN-UHFFFAOYSA-N -1 3 357.311 2.860 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000474704362 516164822 /nfs/dbraw/zinc/16/48/22/516164822.db2.gz AGCOVMOUXUWYGY-UHFFFAOYSA-N -1 3 373.438 2.772 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000512145481 516172347 /nfs/dbraw/zinc/17/23/47/516172347.db2.gz XKZDJQGJCWFGTN-UHFFFAOYSA-N -1 3 370.771 2.845 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000488574727 516265174 /nfs/dbraw/zinc/26/51/74/516265174.db2.gz ISMFGEPZIMUXMF-AWEZNQCLSA-N -1 3 367.446 2.839 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000461028039 516307110 /nfs/dbraw/zinc/30/71/10/516307110.db2.gz XMYVILNFTWNZSB-ZDUSSCGKSA-N -1 3 373.434 2.644 20 30 FFEDHM C[C@@H](NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(C#N)cc1F ZINC000512626713 516315079 /nfs/dbraw/zinc/31/50/79/516315079.db2.gz VWIDKEFWIPQMIG-MPBGBICISA-N -1 3 366.396 2.603 20 30 FFEDHM C=CCc1cc(C(=O)Nc2nc[n-]c2C(=O)OCC)cc(OC)c1OC ZINC000539956710 516373102 /nfs/dbraw/zinc/37/31/02/516373102.db2.gz CGGBFOHBJZSXKO-UHFFFAOYSA-N -1 3 359.382 2.584 20 30 FFEDHM C=CCc1cc(C(=O)Nc2[n-]cnc2C(=O)OCC)cc(OC)c1OC ZINC000539956710 516373113 /nfs/dbraw/zinc/37/31/13/516373113.db2.gz CGGBFOHBJZSXKO-UHFFFAOYSA-N -1 3 359.382 2.584 20 30 FFEDHM N#Cc1ccncc1N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000557746431 516416422 /nfs/dbraw/zinc/41/64/22/516416422.db2.gz HCNNKUJWGAAXST-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000550824230 516441449 /nfs/dbraw/zinc/44/14/49/516441449.db2.gz BXJQQEGAXLFDIR-UHFFFAOYSA-N -1 3 365.252 2.842 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000540322170 516511742 /nfs/dbraw/zinc/51/17/42/516511742.db2.gz ILNSTJDOBSOABA-LLVKDONJSA-N -1 3 358.510 2.643 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000540567122 516623256 /nfs/dbraw/zinc/62/32/56/516623256.db2.gz BYYHSSFBUBFOQT-UHFFFAOYSA-N -1 3 369.878 2.832 20 30 FFEDHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000525699212 517123650 /nfs/dbraw/zinc/12/36/50/517123650.db2.gz OIAMQHRFXFORCS-SNVBAGLBSA-N -1 3 352.362 2.885 20 30 FFEDHM C[C@]1(c2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)NC(=O)[N-]C1=O ZINC000537483492 517203118 /nfs/dbraw/zinc/20/31/18/517203118.db2.gz UEICJQRKXAGQFF-HXUWFJFHSA-N -1 3 374.400 2.549 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(F)cc(C#N)c1 ZINC000552353605 517214524 /nfs/dbraw/zinc/21/45/24/517214524.db2.gz BUIQIFKHJBDPMA-UHFFFAOYSA-N -1 3 364.384 2.718 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(F)cc(C#N)c1 ZINC000552353605 517214533 /nfs/dbraw/zinc/21/45/33/517214533.db2.gz BUIQIFKHJBDPMA-UHFFFAOYSA-N -1 3 364.384 2.718 20 30 FFEDHM C=C(C)[C@@H](Cc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1)OCC ZINC000545629142 517316913 /nfs/dbraw/zinc/31/69/13/517316913.db2.gz OOQVOKCMHMXPLB-CQSZACIVSA-N -1 3 351.428 2.632 20 30 FFEDHM C=CCC(C)(C)c1noc(CC[N-]S(=O)(=O)c2ccccc2F)n1 ZINC000556363430 517391912 /nfs/dbraw/zinc/39/19/12/517391912.db2.gz WIGLKJGTMYNKSD-UHFFFAOYSA-N -1 3 353.419 2.583 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cn(C)nc1-c1ccco1 ZINC000529841394 517394121 /nfs/dbraw/zinc/39/41/21/517394121.db2.gz PCEFSCPORMREDS-UHFFFAOYSA-N -1 3 365.393 2.841 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000556393615 517406735 /nfs/dbraw/zinc/40/67/35/517406735.db2.gz OCSAVPVZBVGILT-UHFFFAOYSA-N -1 3 362.411 2.627 20 30 FFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000546057777 517519327 /nfs/dbraw/zinc/51/93/27/517519327.db2.gz ASSRMKHQUMQFHT-SECBINFHSA-N -1 3 363.233 2.990 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000546075437 517530729 /nfs/dbraw/zinc/53/07/29/517530729.db2.gz LMUJQMJRSDZOML-BBRMVZONSA-N -1 3 354.447 2.905 20 30 FFEDHM Cc1ccnc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000549524400 517599521 /nfs/dbraw/zinc/59/95/21/517599521.db2.gz KFQYDTMILIOKIE-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(F)(F)F ZINC000553525065 517762495 /nfs/dbraw/zinc/76/24/95/517762495.db2.gz UWAQDRHEROKISY-ZETCQYMHSA-N -1 3 371.178 2.797 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2ccncc2)C1 ZINC000556953551 517772045 /nfs/dbraw/zinc/77/20/45/517772045.db2.gz KKZIYINJKRJRRG-INIZCTEOSA-N -1 3 350.422 2.619 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(OCC(F)F)nc3)nc1-2 ZINC000534187600 517779922 /nfs/dbraw/zinc/77/99/22/517779922.db2.gz GMEYUGBCNVGELB-NSHDSACASA-N -1 3 357.320 2.795 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)Cc3c(F)cccc3C#N)[n-]c21 ZINC000560601575 517922749 /nfs/dbraw/zinc/92/27/49/517922749.db2.gz SLXQPWHGFUAJIZ-UHFFFAOYSA-N -1 3 352.325 2.541 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3c(F)cccc3C#N)nc21 ZINC000560601575 517922760 /nfs/dbraw/zinc/92/27/60/517922760.db2.gz SLXQPWHGFUAJIZ-UHFFFAOYSA-N -1 3 352.325 2.541 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000530975023 518077941 /nfs/dbraw/zinc/07/79/41/518077941.db2.gz MTUBZNIVJHIGNO-PZROIBLQSA-N -1 3 360.410 2.929 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000572582936 518259255 /nfs/dbraw/zinc/25/92/55/518259255.db2.gz QJERANNMVHUGHX-AWEZNQCLSA-N -1 3 369.899 2.854 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N(CCC#N)c2ccc(F)cc2)c([O-])c1 ZINC000564312848 518392533 /nfs/dbraw/zinc/39/25/33/518392533.db2.gz SQCJFJCURFWIEV-UHFFFAOYSA-N -1 3 369.396 2.907 20 30 FFEDHM N#Cc1ccc(Br)c(CS(=O)(=O)c2nc3c([n-]2)CCC3)c1 ZINC000584696491 518433307 /nfs/dbraw/zinc/43/33/07/518433307.db2.gz GKORAAWENKJRDY-UHFFFAOYSA-N -1 3 366.240 2.506 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000576336328 518542183 /nfs/dbraw/zinc/54/21/83/518542183.db2.gz RPLQOQIDAQLNQN-DZGCQCFKSA-N -1 3 366.439 2.957 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc2c(s1)CCC2 ZINC000582170517 518621816 /nfs/dbraw/zinc/62/18/16/518621816.db2.gz QWKYBNRSIUMGAN-VIFPVBQESA-N -1 3 351.428 2.682 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000576528409 518637448 /nfs/dbraw/zinc/63/74/48/518637448.db2.gz HCBCVBOXVRHRLD-MRVPVSSYSA-N -1 3 365.224 2.567 20 30 FFEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2nccn21 ZINC000570594583 518685181 /nfs/dbraw/zinc/68/51/81/518685181.db2.gz OSCFKZHDSJVXES-SKDRFNHKSA-N -1 3 370.356 2.758 20 30 FFEDHM N#CC1(CNC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000579549067 518731817 /nfs/dbraw/zinc/73/18/17/518731817.db2.gz JPLLXGAFCYXHIE-SFHVURJKSA-N -1 3 363.417 2.673 20 30 FFEDHM C=C(C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000588138623 518733774 /nfs/dbraw/zinc/73/37/74/518733774.db2.gz ASTVMFIEFBEQPQ-UHFFFAOYSA-N -1 3 366.370 2.734 20 30 FFEDHM CN(C)C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000573853515 518866385 /nfs/dbraw/zinc/86/63/85/518866385.db2.gz JWXDOSNQWGTFNM-INIZCTEOSA-N -1 3 357.841 2.992 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2cc(I)ccc2[O-])n1 ZINC000589399944 518994777 /nfs/dbraw/zinc/99/47/77/518994777.db2.gz IOFFQNJNUROACE-UHFFFAOYSA-N -1 3 365.130 2.516 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000565557646 519016006 /nfs/dbraw/zinc/01/60/06/519016006.db2.gz AAOMYDFXLXFELR-MRVPVSSYSA-N -1 3 365.224 2.567 20 30 FFEDHM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2ccc(C)c(C)c2)c1C#N ZINC000580120423 519016000 /nfs/dbraw/zinc/01/60/00/519016000.db2.gz XVDWBCWQEQYZEX-UHFFFAOYSA-N -1 3 361.471 2.686 20 30 FFEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1C ZINC000583176567 519112827 /nfs/dbraw/zinc/11/28/27/519112827.db2.gz RWDLRVAVTTUQNS-UHFFFAOYSA-N -1 3 365.798 2.503 20 30 FFEDHM Cc1cc(F)cc2c(=O)c(C(=O)NCC#Cc3cccc(F)c3)c[n-]c12 ZINC000580880715 519406652 /nfs/dbraw/zinc/40/66/52/519406652.db2.gz CONNPNTYERHSFL-UHFFFAOYSA-N -1 3 352.340 2.896 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000574939297 519413698 /nfs/dbraw/zinc/41/36/98/519413698.db2.gz JVWREMDCCLNDLX-OAHLLOKOSA-N -1 3 368.817 2.504 20 30 FFEDHM CC(C)[C@H](C#N)N1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000590954598 519456350 /nfs/dbraw/zinc/45/63/50/519456350.db2.gz WFARUWUACCICDH-SFHVURJKSA-N -1 3 351.454 2.515 20 30 FFEDHM COC(=O)c1sc2[n-]c(CN3CCC(CCC#N)CC3)nc(=O)c2c1C ZINC000578319829 519532766 /nfs/dbraw/zinc/53/27/66/519532766.db2.gz YJRPUXLGBWKYQZ-UHFFFAOYSA-N -1 3 374.466 2.595 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c(F)c1 ZINC000578386531 519565323 /nfs/dbraw/zinc/56/53/23/519565323.db2.gz CBVINGAGLDUWGG-UHFFFAOYSA-N -1 3 370.352 2.820 20 30 FFEDHM C=CCC1(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CCCCC1 ZINC000566601841 519571031 /nfs/dbraw/zinc/57/10/31/519571031.db2.gz OHAHQZMFZOQGHE-MRXNPFEDSA-N -1 3 355.438 2.902 20 30 FFEDHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(Nc3ccccc3C#N)CC2)on1 ZINC000602899024 519959712 /nfs/dbraw/zinc/95/97/12/519959712.db2.gz RHUMBUIJQBKXLS-AWEZNQCLSA-N -1 3 353.426 2.758 20 30 FFEDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000594490370 520000759 /nfs/dbraw/zinc/00/07/59/520000759.db2.gz SZJQURGWRHEZCM-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000612566560 520025228 /nfs/dbraw/zinc/02/52/28/520025228.db2.gz CITHNMXQORDPMN-IBGZPJMESA-N -1 3 368.393 2.707 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@H](O)C1CCC1 ZINC000594782959 520156018 /nfs/dbraw/zinc/15/60/18/520156018.db2.gz VAEVTRDQUPVAGG-AWEZNQCLSA-N -1 3 350.465 2.521 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000594816871 520172333 /nfs/dbraw/zinc/17/23/33/520172333.db2.gz JARKKNFQTDZITH-UHFFFAOYSA-N -1 3 363.888 2.714 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)cc1OC ZINC000594869406 520198608 /nfs/dbraw/zinc/19/86/08/520198608.db2.gz JCFJXYAHCXJJRW-UHFFFAOYSA-N -1 3 356.419 2.595 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000609188287 520224322 /nfs/dbraw/zinc/22/43/22/520224322.db2.gz AFCWDRUNDHOSRW-UHFFFAOYSA-N -1 3 351.472 2.850 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000617034862 520294948 /nfs/dbraw/zinc/29/49/48/520294948.db2.gz FGUQHKFIAZOBBO-KGLIPLIRSA-N -1 3 356.513 2.668 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000597906686 520317872 /nfs/dbraw/zinc/31/78/72/520317872.db2.gz PUFIQSQBQVAKQP-CYBMUJFWSA-N -1 3 368.393 2.707 20 30 FFEDHM CC(C)[C@@H](C#N)N1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000609485417 520328275 /nfs/dbraw/zinc/32/82/75/520328275.db2.gz PSNOCHZUDCSOPK-OAHLLOKOSA-N -1 3 365.437 2.747 20 30 FFEDHM N#CCC1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000598030168 520385387 /nfs/dbraw/zinc/38/53/87/520385387.db2.gz NDZBQPAACSQXJG-IBGZPJMESA-N -1 3 363.417 2.625 20 30 FFEDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000595356355 520426255 /nfs/dbraw/zinc/42/62/55/520426255.db2.gz YNYXLLHMXOLKTJ-ROUUACIJSA-N -1 3 362.426 2.734 20 30 FFEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000609989108 520497530 /nfs/dbraw/zinc/49/75/30/520497530.db2.gz ALVQGNFQTREDDB-SFHVURJKSA-N -1 3 361.405 2.544 20 30 FFEDHM Cc1nc([N-]C(=O)COc2cccc(Cl)c2)n(-c2ccc(C#N)cc2)n1 ZINC000610112597 520546252 /nfs/dbraw/zinc/54/62/52/520546252.db2.gz SFECAHPAWKGXMQ-UHFFFAOYSA-N -1 3 367.796 2.540 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCc1ccc(CC#N)cc1 ZINC000592824784 520603667 /nfs/dbraw/zinc/60/36/67/520603667.db2.gz ZYWVOUHCKMXXCM-UHFFFAOYSA-N -1 3 361.405 2.547 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000610338926 520641812 /nfs/dbraw/zinc/64/18/12/520641812.db2.gz FILPQCHEKNSGKZ-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM N#Cc1c[nH]nc1[N-]C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000610620588 520768089 /nfs/dbraw/zinc/76/80/89/520768089.db2.gz QXYHNWPSZOESKK-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1nc(C#N)c(Cl)s1 ZINC000596137738 520934006 /nfs/dbraw/zinc/93/40/06/520934006.db2.gz CUOHPOTUPIEAEZ-VIFPVBQESA-N -1 3 371.875 2.585 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000614382312 520934167 /nfs/dbraw/zinc/93/41/67/520934167.db2.gz VTPBZEGUZFLOLY-AWEZNQCLSA-N -1 3 361.405 2.627 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]2CCCO[C@H]21 ZINC000611024994 520952688 /nfs/dbraw/zinc/95/26/88/520952688.db2.gz VDBNTBXIBKVSAI-BPLDGKMQSA-N -1 3 354.859 2.694 20 30 FFEDHM Cc1cc(N2CCC[C@@H]2c2nc(=N)n(C)[n-]2)n2c3ccccc3nc2c1C#N ZINC000596252401 520993836 /nfs/dbraw/zinc/99/38/36/520993836.db2.gz KKLFIWNGLUXNFW-MRXNPFEDSA-N -1 3 372.436 2.550 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000601961797 521045092 /nfs/dbraw/zinc/04/50/92/521045092.db2.gz GTELUGDHUAVAMO-UHFFFAOYSA-N -1 3 352.382 2.580 20 30 FFEDHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593535503 521059470 /nfs/dbraw/zinc/05/94/70/521059470.db2.gz LJARRXQCXOAFIW-HIFRSBDPSA-N -1 3 361.492 2.734 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593571712 521083426 /nfs/dbraw/zinc/08/34/26/521083426.db2.gz HQRCYNSIQOKCLB-ZUZCIYMTSA-N -1 3 354.428 2.813 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000593614541 521107502 /nfs/dbraw/zinc/10/75/02/521107502.db2.gz ZZJCFGGRHICURY-KRWDZBQOSA-N -1 3 374.487 2.968 20 30 FFEDHM COc1ccccc1-c1cc(=NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[nH][n-]1 ZINC000619423575 521560642 /nfs/dbraw/zinc/56/06/42/521560642.db2.gz RHQMFDPWGHBCKK-MRXNPFEDSA-N -1 3 371.400 2.700 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625095425 523163844 /nfs/dbraw/zinc/16/38/44/523163844.db2.gz IRUHWHKRFDYXCC-UHFFFAOYSA-N -1 3 366.252 2.768 20 30 FFEDHM CC(C)Cc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cs1 ZINC000735851256 598924508 /nfs/dbraw/zinc/92/45/08/598924508.db2.gz OKFACKWVSCDBPF-UHFFFAOYSA-N -1 3 353.411 2.646 20 30 FFEDHM CC(C)Cc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cs1 ZINC000735851256 598924510 /nfs/dbraw/zinc/92/45/10/598924510.db2.gz OKFACKWVSCDBPF-UHFFFAOYSA-N -1 3 353.411 2.646 20 30 FFEDHM C=CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409796 598969086 /nfs/dbraw/zinc/96/90/86/598969086.db2.gz LHIJMWUXAYIZRP-MRXNPFEDSA-N -1 3 366.450 2.787 20 30 FFEDHM C=CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409796 598969088 /nfs/dbraw/zinc/96/90/88/598969088.db2.gz LHIJMWUXAYIZRP-MRXNPFEDSA-N -1 3 366.450 2.787 20 30 FFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1nc(C(F)(F)F)ccc1C#N ZINC000736821808 599041398 /nfs/dbraw/zinc/04/13/98/599041398.db2.gz GEONSUVKVJEZOT-UHFFFAOYSA-N -1 3 359.315 2.789 20 30 FFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1nc(C(F)(F)F)ccc1C#N ZINC000736821808 599041401 /nfs/dbraw/zinc/04/14/01/599041401.db2.gz GEONSUVKVJEZOT-UHFFFAOYSA-N -1 3 359.315 2.789 20 30 FFEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCOc1ccc(C#N)cc1 ZINC000822334367 599048445 /nfs/dbraw/zinc/04/84/45/599048445.db2.gz CJGKJOSRFHNPQW-UHFFFAOYSA-N -1 3 371.404 2.508 20 30 FFEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCOc1ccc(C#N)cc1 ZINC000822334367 599048448 /nfs/dbraw/zinc/04/84/48/599048448.db2.gz CJGKJOSRFHNPQW-UHFFFAOYSA-N -1 3 371.404 2.508 20 30 FFEDHM N#Cc1ccc(OCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000822833887 599048913 /nfs/dbraw/zinc/04/89/13/599048913.db2.gz ZEZIKAOGUGZDHI-UHFFFAOYSA-N -1 3 357.377 2.777 20 30 FFEDHM N#Cc1ccc(OCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000822833887 599048916 /nfs/dbraw/zinc/04/89/16/599048916.db2.gz ZEZIKAOGUGZDHI-UHFFFAOYSA-N -1 3 357.377 2.777 20 30 FFEDHM N#CCc1ccc(NC(=O)CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000737697372 599110055 /nfs/dbraw/zinc/11/00/55/599110055.db2.gz FHCBKKBEINWKHY-UHFFFAOYSA-N -1 3 350.407 2.664 20 30 FFEDHM N#CCc1ccc(NC(=O)CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000737697372 599110057 /nfs/dbraw/zinc/11/00/57/599110057.db2.gz FHCBKKBEINWKHY-UHFFFAOYSA-N -1 3 350.407 2.664 20 30 FFEDHM C=CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735409594 599146692 /nfs/dbraw/zinc/14/66/92/599146692.db2.gz GMNUCWZJMOZSAS-QGZVFWFLSA-N -1 3 363.425 2.721 20 30 FFEDHM C=CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000735409594 599146693 /nfs/dbraw/zinc/14/66/93/599146693.db2.gz GMNUCWZJMOZSAS-QGZVFWFLSA-N -1 3 363.425 2.721 20 30 FFEDHM C=CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409861 599147337 /nfs/dbraw/zinc/14/73/37/599147337.db2.gz NCBXBSPKQQJIFK-DYVFJYSZSA-N -1 3 363.425 2.939 20 30 FFEDHM C=CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409861 599147339 /nfs/dbraw/zinc/14/73/39/599147339.db2.gz NCBXBSPKQQJIFK-DYVFJYSZSA-N -1 3 363.425 2.939 20 30 FFEDHM COc1ccc(C=CC(=O)c2cnn(-c3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000737081286 599155018 /nfs/dbraw/zinc/15/50/18/599155018.db2.gz MNRSHFVYMBBYNL-VQHVLOKHSA-N -1 3 372.388 2.957 20 30 FFEDHM COc1ccc(C=CC(=O)c2cnn(-c3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000737081286 599155021 /nfs/dbraw/zinc/15/50/21/599155021.db2.gz MNRSHFVYMBBYNL-VQHVLOKHSA-N -1 3 372.388 2.957 20 30 FFEDHM C#CCCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819693241 599191525 /nfs/dbraw/zinc/19/15/25/599191525.db2.gz PETKEAHYNBYGOP-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM C#CCCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819693241 599191527 /nfs/dbraw/zinc/19/15/27/599191527.db2.gz PETKEAHYNBYGOP-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM Cc1c(NC(=O)CSc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822076664 607267267 /nfs/dbraw/zinc/26/72/67/607267267.db2.gz QCVZXGSZDGECCT-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM Cc1c(NC(=O)CSc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822076664 607267268 /nfs/dbraw/zinc/26/72/68/607267268.db2.gz QCVZXGSZDGECCT-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819844958 599291205 /nfs/dbraw/zinc/29/12/05/599291205.db2.gz PSQWFWYXZNLUSG-QMMMGPOBSA-N -1 3 353.308 2.509 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819844958 599291207 /nfs/dbraw/zinc/29/12/07/599291207.db2.gz PSQWFWYXZNLUSG-QMMMGPOBSA-N -1 3 353.308 2.509 20 30 FFEDHM CCCC(C#N)(CCC)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736414918 598383178 /nfs/dbraw/zinc/38/31/78/598383178.db2.gz ASFLCJUCWQNDLH-ZDUSSCGKSA-N -1 3 356.430 2.613 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737082819 598392607 /nfs/dbraw/zinc/39/26/07/598392607.db2.gz ZZOCSKHLKVOERE-KRXBUXKQSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737082819 598392609 /nfs/dbraw/zinc/39/26/09/598392609.db2.gz ZZOCSKHLKVOERE-KRXBUXKQSA-N -1 3 351.322 2.680 20 30 FFEDHM C#CCCCOC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735376079 598412159 /nfs/dbraw/zinc/41/21/59/598412159.db2.gz WKTQVPXPFQVYLV-UHFFFAOYSA-N -1 3 352.350 2.609 20 30 FFEDHM C#CCCCOC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735376079 598412160 /nfs/dbraw/zinc/41/21/60/598412160.db2.gz WKTQVPXPFQVYLV-UHFFFAOYSA-N -1 3 352.350 2.609 20 30 FFEDHM N#Cc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737718810 598478730 /nfs/dbraw/zinc/47/87/30/598478730.db2.gz PKAQKJIOPHJJGT-UHFFFAOYSA-N -1 3 373.420 2.613 20 30 FFEDHM N#Cc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737718810 598478732 /nfs/dbraw/zinc/47/87/32/598478732.db2.gz PKAQKJIOPHJJGT-UHFFFAOYSA-N -1 3 373.420 2.613 20 30 FFEDHM C#CCOc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380775 598513643 /nfs/dbraw/zinc/51/36/43/598513643.db2.gz MNSRFWSQOOGCQY-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM C#CCOc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735380775 598513644 /nfs/dbraw/zinc/51/36/44/598513644.db2.gz MNSRFWSQOOGCQY-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM C=CCN(Cc1noc2c1CCCC2)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425509 598538433 /nfs/dbraw/zinc/53/84/33/598538433.db2.gz BQCHQBIFAVMPGP-UHFFFAOYSA-N -1 3 350.426 2.922 20 30 FFEDHM C=CCN(Cc1noc2c1CCCC2)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425509 598538434 /nfs/dbraw/zinc/53/84/34/598538434.db2.gz BQCHQBIFAVMPGP-UHFFFAOYSA-N -1 3 350.426 2.922 20 30 FFEDHM N#CCSc1ccccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737697486 598597807 /nfs/dbraw/zinc/59/78/07/598597807.db2.gz HQLRSLGEOHXXFT-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM N#CCSc1ccccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737697486 598597809 /nfs/dbraw/zinc/59/78/09/598597809.db2.gz HQLRSLGEOHXXFT-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM CCC[C@H](C#N)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736415218 598611581 /nfs/dbraw/zinc/61/15/81/598611581.db2.gz DPRIDMOSYIDBEX-OAHLLOKOSA-N -1 3 363.425 2.696 20 30 FFEDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(C#Cc2ccccc2)cc1 ZINC000738151615 598659489 /nfs/dbraw/zinc/65/94/89/598659489.db2.gz MXKWSIOVLMUBQD-UHFFFAOYSA-N -1 3 366.384 2.914 20 30 FFEDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(C#Cc2ccccc2)cc1 ZINC000738151615 598659490 /nfs/dbraw/zinc/65/94/90/598659490.db2.gz MXKWSIOVLMUBQD-UHFFFAOYSA-N -1 3 366.384 2.914 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735442472 598686729 /nfs/dbraw/zinc/68/67/29/598686729.db2.gz CIRCZXBEPMHFMH-UHFFFAOYSA-N -1 3 360.370 2.502 20 30 FFEDHM N#CC1(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000737678668 598687174 /nfs/dbraw/zinc/68/71/74/598687174.db2.gz LJZXJOSBCYCOGW-UHFFFAOYSA-N -1 3 368.441 2.758 20 30 FFEDHM N#CC1(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000737678668 598687176 /nfs/dbraw/zinc/68/71/76/598687176.db2.gz LJZXJOSBCYCOGW-UHFFFAOYSA-N -1 3 368.441 2.758 20 30 FFEDHM C#CCOc1ccc(F)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735380104 599329606 /nfs/dbraw/zinc/32/96/06/599329606.db2.gz CICRKLDJPVBHOS-UHFFFAOYSA-N -1 3 353.357 2.509 20 30 FFEDHM C#CCOc1ccc(F)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735380104 599329607 /nfs/dbraw/zinc/32/96/07/599329607.db2.gz CICRKLDJPVBHOS-UHFFFAOYSA-N -1 3 353.357 2.509 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000822135488 599384849 /nfs/dbraw/zinc/38/48/49/599384849.db2.gz BTIIWOLYYUPIQX-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM O=C(C=NOCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)cc1Cl ZINC000822934580 599389689 /nfs/dbraw/zinc/38/96/89/599389689.db2.gz ADBUXGZSVJZAHF-UHFFFAOYSA-N -1 3 374.763 2.800 20 30 FFEDHM O=C(C=NOCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cc1Cl ZINC000822934580 599389691 /nfs/dbraw/zinc/38/96/91/599389691.db2.gz ADBUXGZSVJZAHF-UHFFFAOYSA-N -1 3 374.763 2.800 20 30 FFEDHM Clc1nc2ccccn2c1C=NOCc1ccccc1-c1nnn[n-]1 ZINC000737584534 599476391 /nfs/dbraw/zinc/47/63/91/599476391.db2.gz RILNCUVHJBXCJH-UHFFFAOYSA-N -1 3 353.773 2.719 20 30 FFEDHM Clc1nc2ccccn2c1C=NOCc1ccccc1-c1nn[n-]n1 ZINC000737584534 599476392 /nfs/dbraw/zinc/47/63/92/599476392.db2.gz RILNCUVHJBXCJH-UHFFFAOYSA-N -1 3 353.773 2.719 20 30 FFEDHM C#CCN1CCC(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000736078562 600065561 /nfs/dbraw/zinc/06/55/61/600065561.db2.gz BOJOTLXBDRXIFA-UHFFFAOYSA-N -1 3 360.479 2.678 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1ccc(-c2nnn[n-]2)c1 ZINC000824385189 607891609 /nfs/dbraw/zinc/89/16/09/607891609.db2.gz NTRXUPAAQYQXGQ-LBPRGKRZSA-N -1 3 367.438 2.701 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1ccc(-c2nn[n-]n2)c1 ZINC000824385189 607891610 /nfs/dbraw/zinc/89/16/10/607891610.db2.gz NTRXUPAAQYQXGQ-LBPRGKRZSA-N -1 3 367.438 2.701 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821839860 607456742 /nfs/dbraw/zinc/45/67/42/607456742.db2.gz ZUXMBAFUAUXHMK-FNORWQNLSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821839860 607456744 /nfs/dbraw/zinc/45/67/44/607456744.db2.gz ZUXMBAFUAUXHMK-FNORWQNLSA-N -1 3 354.341 2.919 20 30 FFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)CNC(=O)[O-] ZINC000828086005 603628185 /nfs/dbraw/zinc/62/81/85/603628185.db2.gz NCPJRZGUTSBCMM-GFCCVEGCSA-N -1 3 374.466 2.698 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831064104 604222838 /nfs/dbraw/zinc/22/28/38/604222838.db2.gz BZPQKJWDRUIWKB-KKZNHRDASA-N -1 3 367.764 2.563 20 30 FFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830608947 604296336 /nfs/dbraw/zinc/29/63/36/604296336.db2.gz MNJJQBFPQSHDDM-UHFFFAOYSA-N -1 3 369.396 2.600 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823364010 606252135 /nfs/dbraw/zinc/25/21/35/606252135.db2.gz WIZUVQLCAVAIEW-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823364010 606252137 /nfs/dbraw/zinc/25/21/37/606252137.db2.gz WIZUVQLCAVAIEW-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822833387 606266668 /nfs/dbraw/zinc/26/66/68/606266668.db2.gz PMMMRGABYCIBQY-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822833387 606266670 /nfs/dbraw/zinc/26/66/70/606266670.db2.gz PMMMRGABYCIBQY-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000822805740 606301483 /nfs/dbraw/zinc/30/14/83/606301483.db2.gz BKMIEQWGYIDNSN-UGSOOPFHSA-N -1 3 358.405 2.956 20 30 FFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000822805740 606301485 /nfs/dbraw/zinc/30/14/85/606301485.db2.gz BKMIEQWGYIDNSN-UGSOOPFHSA-N -1 3 358.405 2.956 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(C#N)cs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015979 606305554 /nfs/dbraw/zinc/30/55/54/606305554.db2.gz RNBWMEBKZBCSSL-PLNGDYQASA-N -1 3 350.407 2.752 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(C#N)cs2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015979 606305556 /nfs/dbraw/zinc/30/55/56/606305556.db2.gz RNBWMEBKZBCSSL-PLNGDYQASA-N -1 3 350.407 2.752 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822800947 606544749 /nfs/dbraw/zinc/54/47/49/606544749.db2.gz BGCPUTRXUFEZAK-LSDHHAIUSA-N -1 3 364.434 2.840 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822800947 606544750 /nfs/dbraw/zinc/54/47/50/606544750.db2.gz BGCPUTRXUFEZAK-LSDHHAIUSA-N -1 3 364.434 2.840 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C#N)cc1OC(F)F ZINC000821701925 606589250 /nfs/dbraw/zinc/58/92/50/606589250.db2.gz AWZPPDCBUDUTTN-UHFFFAOYSA-N -1 3 373.319 2.927 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1OC(F)F ZINC000821701925 606589252 /nfs/dbraw/zinc/58/92/52/606589252.db2.gz AWZPPDCBUDUTTN-UHFFFAOYSA-N -1 3 373.319 2.927 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000820842112 606613796 /nfs/dbraw/zinc/61/37/96/606613796.db2.gz JUZDGZKZVBRLOY-OAHLLOKOSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000820842112 606613798 /nfs/dbraw/zinc/61/37/98/606613798.db2.gz JUZDGZKZVBRLOY-OAHLLOKOSA-N -1 3 363.377 2.905 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822811466 606723506 /nfs/dbraw/zinc/72/35/06/606723506.db2.gz ZMSVKLZSWMAYPZ-UHFFFAOYSA-N -1 3 353.317 2.552 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822811466 606723508 /nfs/dbraw/zinc/72/35/08/606723508.db2.gz ZMSVKLZSWMAYPZ-UHFFFAOYSA-N -1 3 353.317 2.552 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](Sc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000822829972 607015628 /nfs/dbraw/zinc/01/56/28/607015628.db2.gz RQMLXTASPYDAFP-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](Sc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000822829972 607015630 /nfs/dbraw/zinc/01/56/30/607015630.db2.gz RQMLXTASPYDAFP-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM C=C(Br)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819718277 607199813 /nfs/dbraw/zinc/19/98/13/607199813.db2.gz DFYLDGALODNYBV-UHFFFAOYSA-N -1 3 357.599 2.550 20 30 FFEDHM C=C(Br)CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819718277 607199814 /nfs/dbraw/zinc/19/98/14/607199814.db2.gz DFYLDGALODNYBV-UHFFFAOYSA-N -1 3 357.599 2.550 20 30 FFEDHM N#Cc1ccc(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822833861 607247139 /nfs/dbraw/zinc/24/71/39/607247139.db2.gz YAVASEHSBRLOEK-UHFFFAOYSA-N -1 3 355.354 2.575 20 30 FFEDHM N#Cc1ccc(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822833861 607247140 /nfs/dbraw/zinc/24/71/40/607247140.db2.gz YAVASEHSBRLOEK-UHFFFAOYSA-N -1 3 355.354 2.575 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC(F)F ZINC000819772211 607252346 /nfs/dbraw/zinc/25/23/46/607252346.db2.gz AMSMHAKIHJVNKT-UHFFFAOYSA-N -1 3 358.352 2.982 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC(F)F ZINC000819772211 607252347 /nfs/dbraw/zinc/25/23/47/607252347.db2.gz AMSMHAKIHJVNKT-UHFFFAOYSA-N -1 3 358.352 2.982 20 30 FFEDHM C=C(C)[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)OCC ZINC000823873650 607923968 /nfs/dbraw/zinc/92/39/68/607923968.db2.gz OVTZXWDZWLSDAO-BBRMVZONSA-N -1 3 360.414 2.549 20 30 FFEDHM C=C(C)[C@H](CC(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)OCC ZINC000823873650 607923969 /nfs/dbraw/zinc/92/39/69/607923969.db2.gz OVTZXWDZWLSDAO-BBRMVZONSA-N -1 3 360.414 2.549 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)[C@H]1CCCO1 ZINC000823909337 607927581 /nfs/dbraw/zinc/92/75/81/607927581.db2.gz AAWYMMYCOUZXMK-IAGOWNOFSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CC)[C@H]1CCCO1 ZINC000823909337 607927582 /nfs/dbraw/zinc/92/75/82/607927582.db2.gz AAWYMMYCOUZXMK-IAGOWNOFSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCCOCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823899628 607960548 /nfs/dbraw/zinc/96/05/48/607960548.db2.gz ZVVDFIZOSTVEPR-UHFFFAOYSA-N -1 3 370.335 2.600 20 30 FFEDHM C=CCCOCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823899628 607960549 /nfs/dbraw/zinc/96/05/49/607960549.db2.gz ZVVDFIZOSTVEPR-UHFFFAOYSA-N -1 3 370.335 2.600 20 30 FFEDHM N#CCOc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826382347 608029942 /nfs/dbraw/zinc/02/99/42/608029942.db2.gz ZRCRXFOUVBXEFW-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM N#CCOc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826382347 608029943 /nfs/dbraw/zinc/02/99/43/608029943.db2.gz ZRCRXFOUVBXEFW-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CSCC(F)(F)F ZINC000823909945 608059444 /nfs/dbraw/zinc/05/94/44/608059444.db2.gz SZWXUCNQCBWKSE-UHFFFAOYSA-N -1 3 371.388 2.677 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CSCC(F)(F)F ZINC000823909945 608059445 /nfs/dbraw/zinc/05/94/45/608059445.db2.gz SZWXUCNQCBWKSE-UHFFFAOYSA-N -1 3 371.388 2.677 20 30 FFEDHM Cc1nn2c(C=NNc3ccc(-c4nn[n-]n4)cc3)c(C(C)C)nc2s1 ZINC000826334927 608318837 /nfs/dbraw/zinc/31/88/37/608318837.db2.gz PKQHTQGVJWXDBB-UHFFFAOYSA-N -1 3 367.442 2.849 20 30 FFEDHM N#CC1(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000826380042 608328192 /nfs/dbraw/zinc/32/81/92/608328192.db2.gz LAYMMAFCXFQNEL-UHFFFAOYSA-N -1 3 358.405 2.844 20 30 FFEDHM N#CC1(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000826380042 608328193 /nfs/dbraw/zinc/32/81/93/608328193.db2.gz LAYMMAFCXFQNEL-UHFFFAOYSA-N -1 3 358.405 2.844 20 30 FFEDHM C#CCCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823841446 608352224 /nfs/dbraw/zinc/35/22/24/608352224.db2.gz NMEMUUURJLYXMR-UHFFFAOYSA-N -1 3 360.421 2.746 20 30 FFEDHM C#CCCCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823841446 608352225 /nfs/dbraw/zinc/35/22/25/608352225.db2.gz NMEMUUURJLYXMR-UHFFFAOYSA-N -1 3 360.421 2.746 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)OCCO2 ZINC000823958759 608535662 /nfs/dbraw/zinc/53/56/62/608535662.db2.gz VDNDCFOSBZMCEY-UHFFFAOYSA-N -1 3 371.788 2.522 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)OCCO2 ZINC000823958759 608535663 /nfs/dbraw/zinc/53/56/63/608535663.db2.gz VDNDCFOSBZMCEY-UHFFFAOYSA-N -1 3 371.788 2.522 20 30 FFEDHM CCOc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC ZINC000825616011 608537689 /nfs/dbraw/zinc/53/76/89/608537689.db2.gz SSJYWAKOYLBRPP-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM CCOc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC ZINC000825616011 608537691 /nfs/dbraw/zinc/53/76/91/608537691.db2.gz SSJYWAKOYLBRPP-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM C=CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccccc1F ZINC000823919955 608621257 /nfs/dbraw/zinc/62/12/57/608621257.db2.gz UKVIIWIBCSDKGN-UHFFFAOYSA-N -1 3 363.400 2.842 20 30 FFEDHM C=CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccccc1F ZINC000823919955 608621259 /nfs/dbraw/zinc/62/12/59/608621259.db2.gz UKVIIWIBCSDKGN-UHFFFAOYSA-N -1 3 363.400 2.842 20 30 FFEDHM CCC(CC)CN(CCC#N)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000825106823 608680022 /nfs/dbraw/zinc/68/00/22/608680022.db2.gz JFNUVYIVWVEOEH-UHFFFAOYSA-N -1 3 352.446 2.666 20 30 FFEDHM CCC(CC)CN(CCC#N)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000825106823 608680025 /nfs/dbraw/zinc/68/00/25/608680025.db2.gz JFNUVYIVWVEOEH-UHFFFAOYSA-N -1 3 352.446 2.666 20 30 FFEDHM Cn1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c(-c2cccs2)n1 ZINC000826360304 608752743 /nfs/dbraw/zinc/75/27/43/608752743.db2.gz FQPUDJBLJKAXJA-UHFFFAOYSA-N -1 3 350.411 2.775 20 30 FFEDHM Cn1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c(-c2cccs2)n1 ZINC000826360304 608752744 /nfs/dbraw/zinc/75/27/44/608752744.db2.gz FQPUDJBLJKAXJA-UHFFFAOYSA-N -1 3 350.411 2.775 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C#N)CCCCC1 ZINC000824739614 609152508 /nfs/dbraw/zinc/15/25/08/609152508.db2.gz YKJWMOWJBYGGNW-ZDUSSCGKSA-N -1 3 355.398 2.651 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1-c1nnn[n-]1 ZINC000826384257 609186777 /nfs/dbraw/zinc/18/67/77/609186777.db2.gz NMKRAILRAXUNNF-UHFFFAOYSA-N -1 3 355.361 2.546 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1-c1nn[n-]n1 ZINC000826384257 609186779 /nfs/dbraw/zinc/18/67/79/609186779.db2.gz NMKRAILRAXUNNF-UHFFFAOYSA-N -1 3 355.361 2.546 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC[C@@H]1CCc2ccccc2C1 ZINC000826383877 609379304 /nfs/dbraw/zinc/37/93/04/609379304.db2.gz VYAASNDRSMEFSK-LLVKDONJSA-N -1 3 363.450 2.613 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC[C@@H]1CCc2ccccc2C1 ZINC000826383877 609379307 /nfs/dbraw/zinc/37/93/07/609379307.db2.gz VYAASNDRSMEFSK-LLVKDONJSA-N -1 3 363.450 2.613 20 30 FFEDHM C[C@@H]1CC(=NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)NO1 ZINC000824894267 609391978 /nfs/dbraw/zinc/39/19/78/609391978.db2.gz XGUFKZCEPCSMAJ-LLVKDONJSA-N -1 3 364.365 2.511 20 30 FFEDHM C[C@@H]1CC(=NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)NO1 ZINC000824894267 609391981 /nfs/dbraw/zinc/39/19/81/609391981.db2.gz XGUFKZCEPCSMAJ-LLVKDONJSA-N -1 3 364.365 2.511 20 30 FFEDHM Cn1cc(CNc2ccc(-c3nn[n-]n3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000826361959 609444141 /nfs/dbraw/zinc/44/41/41/609444141.db2.gz XOGVUWMUJJHDAR-UHFFFAOYSA-N -1 3 356.393 2.751 20 30 FFEDHM Clc1cc([N-][NH+]=Cc2ccc(N3CCCC3)nc2)ccc1-c1nn[n-]n1 ZINC000826351311 609474123 /nfs/dbraw/zinc/47/41/23/609474123.db2.gz IAUTVNVIALZIKR-UHFFFAOYSA-N -1 3 368.832 2.961 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000826186958 609484063 /nfs/dbraw/zinc/48/40/63/609484063.db2.gz RSUAODIWHQKJDX-LBPRGKRZSA-N -1 3 350.382 2.778 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000826186958 609484066 /nfs/dbraw/zinc/48/40/66/609484066.db2.gz RSUAODIWHQKJDX-LBPRGKRZSA-N -1 3 350.382 2.778 20 30 FFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C#N)c1F ZINC000826162740 609485979 /nfs/dbraw/zinc/48/59/79/609485979.db2.gz QFBFCRMEJAQRJQ-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C#N)c1F ZINC000826162740 609485981 /nfs/dbraw/zinc/48/59/81/609485981.db2.gz QFBFCRMEJAQRJQ-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000825552690 609487981 /nfs/dbraw/zinc/48/79/81/609487981.db2.gz CZJXUHIWVLVCQH-UHFFFAOYSA-N -1 3 363.381 2.919 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000825552690 609487982 /nfs/dbraw/zinc/48/79/82/609487982.db2.gz CZJXUHIWVLVCQH-UHFFFAOYSA-N -1 3 363.381 2.919 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)[C@@H](C)C(F)(F)F)C1=O ZINC000743288212 735287859 /nfs/dbraw/zinc/28/78/59/735287859.db2.gz MGCLYSMZILIUFA-YGRLFVJLSA-N -1 3 351.369 2.887 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1F ZINC000029053768 727891067 /nfs/dbraw/zinc/89/10/67/727891067.db2.gz LXVPYPBTRHAAAZ-UHFFFAOYSA-N -1 3 352.362 2.681 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)nc2)cc1Cl ZINC000115904858 728567707 /nfs/dbraw/zinc/56/77/07/728567707.db2.gz AJKONJDKIJSMCN-CYBMUJFWSA-N -1 3 354.753 2.576 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC23CCCCC3)ccc1F ZINC000180703744 729222045 /nfs/dbraw/zinc/22/20/45/729222045.db2.gz DJQGVEFLLSYNAL-MRXNPFEDSA-N -1 3 366.458 2.743 20 30 FFEDHM C#CCNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192533721 729451854 /nfs/dbraw/zinc/45/18/54/729451854.db2.gz IMVCJLWIJALZBE-SNVBAGLBSA-N -1 3 373.459 2.616 20 30 FFEDHM CCCCCCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000862358323 730691418 /nfs/dbraw/zinc/69/14/18/730691418.db2.gz CFBGZJSGPCITLG-AWEZNQCLSA-N -1 3 365.499 2.590 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000862542335 730708032 /nfs/dbraw/zinc/70/80/32/730708032.db2.gz MMTJXCQEQHGGTE-CYBMUJFWSA-N -1 3 354.447 2.551 20 30 FFEDHM Cc1noc([C@@H]2OCC[C@@H]2/N=C\c2cc(Br)ccc2[O-])n1 ZINC000864345634 730840818 /nfs/dbraw/zinc/84/08/18/730840818.db2.gz BFXNJTDXWKMSBB-PKKFTADVSA-N -1 3 352.188 2.795 20 30 FFEDHM C#CCCCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316576 731618974 /nfs/dbraw/zinc/61/89/74/731618974.db2.gz WMLMYCKKJDBZKW-ZDUSSCGKSA-N -1 3 352.356 2.989 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc3nccn3c2C)cc1 ZINC000780308681 738532263 /nfs/dbraw/zinc/53/22/63/738532263.db2.gz BSWKISUTPHTCGJ-CYBMUJFWSA-N -1 3 354.391 2.674 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000657149557 731739162 /nfs/dbraw/zinc/73/91/62/731739162.db2.gz NFTODYYXLQPOHK-UHFFFAOYSA-N -1 3 357.325 2.595 20 30 FFEDHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877773478 732426839 /nfs/dbraw/zinc/42/68/39/732426839.db2.gz PZPKAHKFFZMRFQ-MRXNPFEDSA-N -1 3 351.372 2.885 20 30 FFEDHM Cc1cc(Br)c([O-])c(C=NNc2ccc(-n3cccn3)nn2)c1 ZINC000781589276 738639309 /nfs/dbraw/zinc/63/93/09/738639309.db2.gz GEUCBZNTHYZHNR-UHFFFAOYSA-N -1 3 373.214 2.885 20 30 FFEDHM Cc1cc(Br)c([O-])c(CN=Nc2ccc(-n3cccn3)nn2)c1 ZINC000781589276 738639312 /nfs/dbraw/zinc/63/93/12/738639312.db2.gz GEUCBZNTHYZHNR-UHFFFAOYSA-N -1 3 373.214 2.885 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCSC[C@@H]1C1CC1 ZINC000888498702 734064669 /nfs/dbraw/zinc/06/46/69/734064669.db2.gz GPFBSTXHGSHUNO-QGZVFWFLSA-N -1 3 359.495 2.952 20 30 FFEDHM CC/C=C\COC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000727046482 734461499 /nfs/dbraw/zinc/46/14/99/734461499.db2.gz DLMBKAOSVMGNDN-KKTNHOPESA-N -1 3 364.467 2.649 20 30 FFEDHM COc1cc(C=NNC(=S)NCC2CCC2)cc(Br)c1[O-] ZINC000727653694 734493226 /nfs/dbraw/zinc/49/32/26/734493226.db2.gz WZWDXNMQFCGMKB-UHFFFAOYSA-N -1 3 372.288 2.761 20 30 FFEDHM C=C(Br)CSc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000728704048 734540603 /nfs/dbraw/zinc/54/06/03/734540603.db2.gz AJLYRFKZAYGXLE-UHFFFAOYSA-N -1 3 370.228 2.826 20 30 FFEDHM Cc1ncccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000728778231 734543967 /nfs/dbraw/zinc/54/39/67/734543967.db2.gz AFZSZDWCSAZNPH-HNNXBMFYSA-N -1 3 353.407 2.665 20 30 FFEDHM COc1ncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000734079962 734873226 /nfs/dbraw/zinc/87/32/26/734873226.db2.gz GUWXCBQDCGWIOK-GFCCVEGCSA-N -1 3 365.176 2.753 20 30 FFEDHM C#CCOc1ccccc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000734150654 734877438 /nfs/dbraw/zinc/87/74/38/734877438.db2.gz LXJPDRXUVGCQLH-UHFFFAOYSA-N -1 3 355.337 2.594 20 30 FFEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737072048 735003376 /nfs/dbraw/zinc/00/33/76/735003376.db2.gz OQQAZQLMWHADTD-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737072048 735003378 /nfs/dbraw/zinc/00/33/78/735003378.db2.gz OQQAZQLMWHADTD-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(F)cc1F ZINC000740811457 735089340 /nfs/dbraw/zinc/08/93/40/735089340.db2.gz ISWOVPUDYPXJML-UHFFFAOYSA-N -1 3 365.361 2.904 20 30 FFEDHM Cc1ccc(Br)c(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1C#N ZINC000897346370 735222560 /nfs/dbraw/zinc/22/25/60/735222560.db2.gz UAYUBSDTZMUBDK-NSHDSACASA-N -1 3 374.242 2.816 20 30 FFEDHM N#Cc1cccc(Br)c1N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000897346107 735222650 /nfs/dbraw/zinc/22/26/50/735222650.db2.gz RXEDUFMSOBNENH-LLVKDONJSA-N -1 3 360.215 2.507 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000751597215 735897621 /nfs/dbraw/zinc/89/76/21/735897621.db2.gz SWLIHMNGQUIHMZ-MRVPVSSYSA-N -1 3 365.238 2.751 20 30 FFEDHM CCc1ncc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)s1 ZINC000752165133 735962392 /nfs/dbraw/zinc/96/23/92/735962392.db2.gz ZLBCAYZSNBHZCY-CYBMUJFWSA-N -1 3 373.463 2.980 20 30 FFEDHM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N([O-])Cc1cccc2ccccc21 ZINC000904172886 736229768 /nfs/dbraw/zinc/22/97/68/736229768.db2.gz LONYURQPQMZXTI-OSYLJGHBSA-N -1 3 359.447 2.913 20 30 FFEDHM C[C@@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCCS1(=O)=O ZINC000904178505 736230624 /nfs/dbraw/zinc/23/06/24/736230624.db2.gz MCFVIBFPVZDESP-ZDUSSCGKSA-N -1 3 352.239 2.679 20 30 FFEDHM Cc1cc(NC(=O)CSCC(=O)N([O-])Cc2ccccc2Cl)no1 ZINC000904187666 736231935 /nfs/dbraw/zinc/23/19/35/736231935.db2.gz QRTWJYDNLVRHRK-UHFFFAOYSA-N -1 3 369.830 2.726 20 30 FFEDHM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192508 736232322 /nfs/dbraw/zinc/23/23/22/736232322.db2.gz OHECMNONPMTPGJ-CQSZACIVSA-N -1 3 372.849 2.988 20 30 FFEDHM Clc1ccc(-n2cc(C=N[N-]c3[nH+]cnc4[n-]cnc43)nn2)c(Cl)c1 ZINC000755661391 736269198 /nfs/dbraw/zinc/26/91/98/736269198.db2.gz OSYOOMKRCXGXRP-UHFFFAOYSA-N -1 3 374.195 2.686 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1coc(-c2ccccc2)n1 ZINC000755753682 736276372 /nfs/dbraw/zinc/27/63/72/736276372.db2.gz MQTGVQCPHXFHCL-UHFFFAOYSA-N -1 3 355.419 2.838 20 30 FFEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000756973851 736379120 /nfs/dbraw/zinc/37/91/20/736379120.db2.gz CUEKDOZULIDGJD-HNNXBMFYSA-N -1 3 360.391 2.646 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H](C#N)Cc2ccccc2)cc1 ZINC000759424043 736567725 /nfs/dbraw/zinc/56/77/25/736567725.db2.gz OBQJWFKNSLCNKH-OAHLLOKOSA-N -1 3 358.419 2.597 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnc2nccnc2c1 ZINC000760183419 736620262 /nfs/dbraw/zinc/62/02/62/736620262.db2.gz LLFXIAGONXMQEF-LLVKDONJSA-N -1 3 351.753 2.639 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC/C(Cl)=C/Cl)ccc1F ZINC000763918878 736978367 /nfs/dbraw/zinc/97/83/67/736978367.db2.gz MEBHYFFUUVQFMY-YFHOEESVSA-N -1 3 368.213 2.766 20 30 FFEDHM FC(F)C1CC(=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)C1 ZINC000766007967 737182578 /nfs/dbraw/zinc/18/25/78/737182578.db2.gz PFOUIMWDLXKPNM-LESKNEHBSA-N -1 3 352.366 2.959 20 30 FFEDHM C#CCCCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000766875785 737271300 /nfs/dbraw/zinc/27/13/00/737271300.db2.gz QXZCVWCXMFJNJA-UHFFFAOYSA-N -1 3 364.250 2.618 20 30 FFEDHM COc1cc(C=NNC(=S)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000767062543 737288710 /nfs/dbraw/zinc/28/87/10/737288710.db2.gz LFCRWZAHLIPWFC-UHFFFAOYSA-N -1 3 364.358 2.769 20 30 FFEDHM C=CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])c(OC)c2[O-])SC1=S ZINC000772176264 737793359 /nfs/dbraw/zinc/79/33/59/737793359.db2.gz LGAJWFMYQKNQOB-JXMROGBWSA-N -1 3 352.393 2.696 20 30 FFEDHM C#C[C@H](Cc1ccccc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000773836439 737938363 /nfs/dbraw/zinc/93/83/63/737938363.db2.gz NJPWKEZUGRZMMB-OAHLLOKOSA-N -1 3 361.394 2.599 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000776015964 738152717 /nfs/dbraw/zinc/15/27/17/738152717.db2.gz PPDBMGQVNBRYHB-LLVKDONJSA-N -1 3 372.437 2.880 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccccc1Cl ZINC000776276275 738177122 /nfs/dbraw/zinc/17/71/22/738177122.db2.gz ZCIWQDMKVJFSFI-LLVKDONJSA-N -1 3 358.781 2.779 20 30 FFEDHM COc1ccc(NCc2ccc(C#N)c(OC)c2)cc1[N-]S(C)(=O)=O ZINC000799339082 740410380 /nfs/dbraw/zinc/41/03/80/740410380.db2.gz IRJPOHUAEIRHKV-UHFFFAOYSA-N -1 3 361.423 2.559 20 30 FFEDHM CC(=[NH+][N-]c1nccn1C)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799886790 740460858 /nfs/dbraw/zinc/46/08/58/740460858.db2.gz CGVZRDARUQVENL-UHFFFAOYSA-N -1 3 360.215 2.860 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)(C)C ZINC000805146816 740946191 /nfs/dbraw/zinc/94/61/91/740946191.db2.gz MMTJKNZZACNBFZ-AWEZNQCLSA-N -1 3 360.838 2.764 20 30 FFEDHM C#CCC(CC#C)C(=O)Nc1cc(I)ccc1[O-] ZINC000806815638 741086260 /nfs/dbraw/zinc/08/62/60/741086260.db2.gz DLSLHMGKWDMDET-UHFFFAOYSA-N -1 3 353.159 2.598 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc3[nH]ccc3c2)cc1 ZINC000811639606 741544844 /nfs/dbraw/zinc/54/48/44/741544844.db2.gz CLONTYIDYRGWMW-UHFFFAOYSA-N -1 3 358.379 2.530 20 30 FFEDHM C=C(C)CNC(=S)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817568531 742170177 /nfs/dbraw/zinc/17/01/77/742170177.db2.gz VFEKEFWTOKFEPN-GFCCVEGCSA-N -1 3 357.401 2.547 20 30 FFEDHM Brc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819688084 742423075 /nfs/dbraw/zinc/42/30/75/742423075.db2.gz CYKVBPUFBQZQKP-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM Brc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819688084 742423077 /nfs/dbraw/zinc/42/30/77/742423077.db2.gz CYKVBPUFBQZQKP-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCSc2ccccc2)nc1N ZINC000826383457 743383659 /nfs/dbraw/zinc/38/36/59/743383659.db2.gz BIALQKXOUKTVBU-UHFFFAOYSA-N -1 3 355.452 2.600 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCSc2ccccc2)nc1N ZINC000826383457 743383667 /nfs/dbraw/zinc/38/36/67/743383667.db2.gz BIALQKXOUKTVBU-UHFFFAOYSA-N -1 3 355.452 2.600 20 30 FFEDHM N#Cc1ccc([C@H](Sc2cccc(Cl)c2-c2nnn[n-]2)C(N)=O)cc1 ZINC000826384699 743383964 /nfs/dbraw/zinc/38/39/64/743383964.db2.gz GIDJEWORVSOCHT-AWEZNQCLSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1ccc([C@H](Sc2cccc(Cl)c2-c2nn[n-]n2)C(N)=O)cc1 ZINC000826384699 743383973 /nfs/dbraw/zinc/38/39/73/743383973.db2.gz GIDJEWORVSOCHT-AWEZNQCLSA-N -1 3 370.825 2.710 20 30 FFEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000832417538 745695366 /nfs/dbraw/zinc/69/53/66/745695366.db2.gz HLRADUBYRUYXAE-STQMWFEESA-N -1 3 358.182 2.838 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000841567197 747404543 /nfs/dbraw/zinc/40/45/43/747404543.db2.gz UBHXMKFQOZKNCE-AWEZNQCLSA-N -1 3 353.875 2.848 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000846545070 748499922 /nfs/dbraw/zinc/49/99/22/748499922.db2.gz DSTFCQPVYBEFEK-DZGCQCFKSA-N -1 3 363.483 2.561 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccn(C(F)F)n1 ZINC000847804092 748784405 /nfs/dbraw/zinc/78/44/05/748784405.db2.gz BFAXUVLRSFYGNS-UHFFFAOYSA-N -1 3 350.325 2.543 20 30 FFEDHM C[C@@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(F)c(Br)c1 ZINC000848131870 748850086 /nfs/dbraw/zinc/85/00/86/748850086.db2.gz FFPQPOHEXDMCON-TVQRCGJNSA-N -1 3 373.222 2.578 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c(F)ccc(SCC2CC2)c1F ZINC000848131971 748850648 /nfs/dbraw/zinc/85/06/48/748850648.db2.gz MOTNIWAJHWFELM-LLVKDONJSA-N -1 3 356.394 2.577 20 30 FFEDHM CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135655 748851385 /nfs/dbraw/zinc/85/13/85/748851385.db2.gz GWLOFCUTXRYENJ-OCCSQVGLSA-N -1 3 369.259 2.514 20 30 FFEDHM C=CCCCCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000848293239 748894881 /nfs/dbraw/zinc/89/48/81/748894881.db2.gz CSCZYNLPBVNPAH-UHFFFAOYSA-N -1 3 372.437 2.882 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)sc2nc3n(c(=O)c12)CCC3 ZINC000049456380 845188293 /nfs/dbraw/zinc/18/82/93/845188293.db2.gz BVAPXCHEDRSDMY-LLVKDONJSA-N -1 3 350.403 2.598 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)nc1 ZINC000737708679 945115268 /nfs/dbraw/zinc/11/52/68/945115268.db2.gz FLOLPBWTYFXRSA-UHFFFAOYSA-N -1 3 371.360 2.573 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)nc1 ZINC000737708679 945115272 /nfs/dbraw/zinc/11/52/72/945115272.db2.gz FLOLPBWTYFXRSA-UHFFFAOYSA-N -1 3 371.360 2.573 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)CC1 ZINC000908945333 939360304 /nfs/dbraw/zinc/36/03/04/939360304.db2.gz GUWJXVCISMCFRP-QGZVFWFLSA-N -1 3 363.433 2.600 20 30 FFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccccn2)s1 ZINC000819719020 945274787 /nfs/dbraw/zinc/27/47/87/945274787.db2.gz XGKKHENXAYHAHI-UHFFFAOYSA-N -1 3 362.422 2.509 20 30 FFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccccn2)s1 ZINC000819719020 945274793 /nfs/dbraw/zinc/27/47/93/945274793.db2.gz XGKKHENXAYHAHI-UHFFFAOYSA-N -1 3 362.422 2.509 20 30 FFEDHM N#CCCn1cc(CNCc2cccc(C(=O)[O-])c2)c(-c2ccncc2)n1 ZINC001601068538 970926989 /nfs/dbraw/zinc/92/69/89/970926989.db2.gz FNCKIRUPIMBOBS-UHFFFAOYSA-N -1 3 361.405 2.847 20 30 FFEDHM C#CC[C@H](CCOC)Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001573279496 946642200 /nfs/dbraw/zinc/64/22/00/946642200.db2.gz IJXDOOPVNWKGDA-SECBINFHSA-N -1 3 368.210 2.609 20 30 FFEDHM C#CC[C@H](CCOC)Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001573279496 946642203 /nfs/dbraw/zinc/64/22/03/946642203.db2.gz IJXDOOPVNWKGDA-SECBINFHSA-N -1 3 368.210 2.609 20 30 FFEDHM C#CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@@H]1CC=CCC1 ZINC001573282550 946693376 /nfs/dbraw/zinc/69/33/76/946693376.db2.gz KFKZYHFVCYIWCD-OAHLLOKOSA-N -1 3 374.452 2.551 20 30 FFEDHM C#CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@@H]1CC=CCC1 ZINC001573282550 946693382 /nfs/dbraw/zinc/69/33/82/946693382.db2.gz KFKZYHFVCYIWCD-OAHLLOKOSA-N -1 3 374.452 2.551 20 30 FFEDHM C#CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)CCCCC1 ZINC001573284700 946755577 /nfs/dbraw/zinc/75/55/77/946755577.db2.gz JNVXLAKKMDYKMH-UHFFFAOYSA-N -1 3 354.414 2.723 20 30 FFEDHM C#CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)CCCCC1 ZINC001573284700 946755586 /nfs/dbraw/zinc/75/55/86/946755586.db2.gz JNVXLAKKMDYKMH-UHFFFAOYSA-N -1 3 354.414 2.723 20 30 FFEDHM C#CCOc1cccc(Oc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001573289539 946885509 /nfs/dbraw/zinc/88/55/09/946885509.db2.gz NPYVAJVWXZUJPV-UHFFFAOYSA-N -1 3 355.285 2.718 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573293527 946960034 /nfs/dbraw/zinc/96/00/34/946960034.db2.gz ZELSPOROODJGJH-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573293527 946960045 /nfs/dbraw/zinc/96/00/45/946960045.db2.gz ZELSPOROODJGJH-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825039358 947055898 /nfs/dbraw/zinc/05/58/98/947055898.db2.gz QAVGZJFWMAXBNW-MRXNPFEDSA-N -1 3 362.393 2.879 20 30 FFEDHM CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825039358 947055900 /nfs/dbraw/zinc/05/59/00/947055900.db2.gz QAVGZJFWMAXBNW-MRXNPFEDSA-N -1 3 362.393 2.879 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573297730 947067374 /nfs/dbraw/zinc/06/73/74/947067374.db2.gz KSRFYKSPYAMQED-ZDUSSCGKSA-N -1 3 370.432 2.765 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573297730 947067383 /nfs/dbraw/zinc/06/73/83/947067383.db2.gz KSRFYKSPYAMQED-ZDUSSCGKSA-N -1 3 370.432 2.765 20 30 FFEDHM CCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000825376417 947168885 /nfs/dbraw/zinc/16/88/85/947168885.db2.gz GPIWSIFTQDURKF-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM CCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000825376417 947168888 /nfs/dbraw/zinc/16/88/88/947168888.db2.gz GPIWSIFTQDURKF-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM Cc1nc(Cn2cnc(C#N)c2-c2nnn[n-]2)oc1-c1ccc(Cl)cc1 ZINC000826326987 947954294 /nfs/dbraw/zinc/95/42/94/947954294.db2.gz NKGOJGCGUOPDPE-UHFFFAOYSA-N -1 3 366.772 2.600 20 30 FFEDHM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271434553 972997526 /nfs/dbraw/zinc/99/75/26/972997526.db2.gz WIYITPHTRZBFOW-FQEVSTJZSA-N -1 3 358.438 2.519 20 30 FFEDHM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1ccc(O)cc1[O-])CC2 ZINC001271854595 979153916 /nfs/dbraw/zinc/15/39/16/979153916.db2.gz AXAJHHAEQCJQMD-UHFFFAOYSA-N -1 3 358.438 2.519 20 30 FFEDHM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1c([O-])cccc1O)CC2 ZINC001271854734 979153994 /nfs/dbraw/zinc/15/39/94/979153994.db2.gz FENNKONBDTUTTO-UHFFFAOYSA-N -1 3 358.438 2.519 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)C1=O ZINC001271914558 979267599 /nfs/dbraw/zinc/26/75/99/979267599.db2.gz GFAYBZUJBSSJCS-IBGZPJMESA-N -1 3 360.841 2.524 20 30 FFEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174782 980207038 /nfs/dbraw/zinc/20/70/38/980207038.db2.gz IUOPZTRNGVWCJI-UHFFFAOYSA-N -1 3 367.384 2.708 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908999500 981590843 /nfs/dbraw/zinc/59/08/43/981590843.db2.gz ZIJJJACTEQIULO-QZTJIDSGSA-N -1 3 359.470 2.760 20 30 FFEDHM C=CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000654574034 1014777242 /nfs/dbraw/zinc/77/72/42/1014777242.db2.gz CMXDPBPGNPNLQC-UHFFFAOYSA-N -1 3 364.409 2.617 20 30 FFEDHM N#Cc1ccc(C2(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)CCCC2)cc1 ZINC000898225454 982656080 /nfs/dbraw/zinc/65/60/80/982656080.db2.gz FGVOWCYWSAPWPJ-OAHLLOKOSA-N -1 3 350.422 2.815 20 30 FFEDHM Cc1oc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c(C#N)c1C ZINC000913301893 984230579 /nfs/dbraw/zinc/23/05/79/984230579.db2.gz FVSMAZVXBUWHFW-UHFFFAOYSA-N -1 3 354.322 2.547 20 30 FFEDHM Cc1oc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c(C#N)c1C ZINC000913301893 984230587 /nfs/dbraw/zinc/23/05/87/984230587.db2.gz FVSMAZVXBUWHFW-UHFFFAOYSA-N -1 3 354.322 2.547 20 30 FFEDHM C#CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCc2ccccc21 ZINC000170706471 985115123 /nfs/dbraw/zinc/11/51/23/985115123.db2.gz UDKPVZKXDXENGZ-GOSISDBHSA-N -1 3 359.385 2.725 20 30 FFEDHM C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@]1(C)C(=O)[O-] ZINC001599927858 985240755 /nfs/dbraw/zinc/24/07/55/985240755.db2.gz LZKSNTKIMWXWSW-IUUKEHGRSA-N -1 3 357.435 2.515 20 30 FFEDHM CCc1noc2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3OC)cc12 ZINC000171266332 985254529 /nfs/dbraw/zinc/25/45/29/985254529.db2.gz VKNLDDQKVCPTRN-ZDUSSCGKSA-N -1 3 364.361 2.755 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878608177 1015128792 /nfs/dbraw/zinc/12/87/92/1015128792.db2.gz JPPUFRAMIQMYHY-UHFFFAOYSA-N -1 3 357.458 2.611 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc2c1CCCC2=O ZINC000174704240 986668394 /nfs/dbraw/zinc/66/83/94/986668394.db2.gz YPBMXBFYHHLIAJ-UHFFFAOYSA-N -1 3 364.401 2.921 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]CC(F)(F)c1cccc(F)c1 ZINC001212429153 986743949 /nfs/dbraw/zinc/74/39/49/986743949.db2.gz PEAPRNNMPNAKKX-UHFFFAOYSA-N -1 3 370.352 2.776 20 30 FFEDHM C=CCOc1ccccc1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503120 988420668 /nfs/dbraw/zinc/42/06/68/988420668.db2.gz GLOKHIFIZBAICX-KBPBESRZSA-N -1 3 369.421 2.745 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc2c1OCO2 ZINC000917425686 990218097 /nfs/dbraw/zinc/21/80/97/990218097.db2.gz CTAVCIYEZOMWDH-CYBMUJFWSA-N -1 3 352.346 2.775 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccc(C)cc1 ZINC000917509055 990234026 /nfs/dbraw/zinc/23/40/26/990234026.db2.gz KBHYJXUQYPGGST-MRXNPFEDSA-N -1 3 359.389 2.845 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]2c2ccccc2)ccc1F ZINC000918573343 990439207 /nfs/dbraw/zinc/43/92/07/990439207.db2.gz SHERGSADBYGMQU-QGZVFWFLSA-N -1 3 374.437 2.877 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cccc(C#N)n1 ZINC000810529640 994812108 /nfs/dbraw/zinc/81/21/08/994812108.db2.gz LDAGITZWCJPYOJ-GFCCVEGCSA-N -1 3 368.780 2.885 20 30 FFEDHM C[C@@H](CNC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811187093 995052015 /nfs/dbraw/zinc/05/20/15/995052015.db2.gz JLMJVWYENAMZEM-UONOGXRCSA-N -1 3 352.390 2.729 20 30 FFEDHM Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187872 995053155 /nfs/dbraw/zinc/05/31/55/995053155.db2.gz OFKOOVVLQPXYFX-CQSZACIVSA-N -1 3 352.390 2.776 20 30 FFEDHM COC(=O)c1cccc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1C#N ZINC001598996705 998786458 /nfs/dbraw/zinc/78/64/58/998786458.db2.gz XZGJYGKYEBIQDS-NRFANRHFSA-N -1 3 364.401 2.573 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(OC)nc1 ZINC000734078839 999191780 /nfs/dbraw/zinc/19/17/80/999191780.db2.gz BAFHTLIUSNVUQS-HNNXBMFYSA-N -1 3 352.394 2.571 20 30 FFEDHM N#Cc1cccc(OCc2ccoc2C(=O)OCc2cc(=O)c([O-])co2)c1 ZINC000736807688 999570662 /nfs/dbraw/zinc/57/06/62/999570662.db2.gz MIBNHANFPHPEAA-UHFFFAOYSA-N -1 3 367.313 2.746 20 30 FFEDHM N#Cc1ccc(CNC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000738294344 999624683 /nfs/dbraw/zinc/62/46/83/999624683.db2.gz IZKRWZODUQUZAD-UHFFFAOYSA-N -1 3 373.412 2.618 20 30 FFEDHM COc1cc(C)cc2c1OCCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448905 999819248 /nfs/dbraw/zinc/81/92/48/999819248.db2.gz GSFPMLFQDNVVMW-UHFFFAOYSA-N -1 3 374.462 2.652 20 30 FFEDHM Cc1ccc(Sc2ccc(C=NN3CC(=O)[N-]C3=O)cc2[N+](=O)[O-])cc1 ZINC000744810664 999874418 /nfs/dbraw/zinc/87/44/18/999874418.db2.gz UNDATPQPFKQFTH-UHFFFAOYSA-N -1 3 370.390 2.940 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169539358 1000057561 /nfs/dbraw/zinc/05/75/61/1000057561.db2.gz IJTDBNLBFVGKPY-KSSFIOAISA-N -1 3 364.449 2.608 20 30 FFEDHM CCN(CC)c1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1F ZINC000769818125 1000598253 /nfs/dbraw/zinc/59/82/53/1000598253.db2.gz PUTXFZPJLLHGSJ-UHFFFAOYSA-N -1 3 357.393 2.500 20 30 FFEDHM C=CCOC(=O)N1CCC2(CCCN(C(=O)c3cccc(O)c3[O-])C2)CC1 ZINC001148213140 1001067737 /nfs/dbraw/zinc/06/77/37/1001067737.db2.gz XOOLHDHGZIQJOS-UHFFFAOYSA-N -1 3 374.437 2.739 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(C(F)(F)F)c(Br)cn1 ZINC001171365397 1001762553 /nfs/dbraw/zinc/76/25/53/1001762553.db2.gz ULMDKQJMQBDQAV-CDUCUWFYSA-N -1 3 354.126 2.511 20 30 FFEDHM N#C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCN1C1CC1 ZINC000746885285 1002298153 /nfs/dbraw/zinc/29/81/53/1002298153.db2.gz FUWVHTWENQUVLD-INIZCTEOSA-N -1 3 363.417 2.997 20 30 FFEDHM CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2ccc([O-])c(C#N)c2)COC1(C)C ZINC001184025079 1002465940 /nfs/dbraw/zinc/46/59/40/1002465940.db2.gz IKJDNOPOHTZDHZ-ZDUSSCGKSA-N -1 3 361.398 2.574 20 30 FFEDHM NC(=O)c1cn(CC(=O)N([O-])Cc2ccccc2Cl)c2ccccc12 ZINC001184283834 1002561853 /nfs/dbraw/zinc/56/18/53/1002561853.db2.gz SAJCNLZUTWNWHR-UHFFFAOYSA-N -1 3 357.797 2.812 20 30 FFEDHM Cc1nc2ccccc2c(=O)n1CC(=O)N([O-])Cc1ccccc1Cl ZINC001184283090 1002561995 /nfs/dbraw/zinc/56/19/95/1002561995.db2.gz CKTCDAMGYJTREV-UHFFFAOYSA-N -1 3 357.797 2.776 20 30 FFEDHM N#Cc1c(Cl)cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nc1Cl ZINC001184795694 1002720262 /nfs/dbraw/zinc/72/02/62/1002720262.db2.gz AMNFYAAIBMMWAE-UHFFFAOYSA-N -1 3 351.075 2.649 20 30 FFEDHM N#Cc1c(Cl)cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nc1Cl ZINC001184795694 1002720276 /nfs/dbraw/zinc/72/02/76/1002720276.db2.gz AMNFYAAIBMMWAE-UHFFFAOYSA-N -1 3 351.075 2.649 20 30 FFEDHM C=C(Br)CN1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001092468170 1002926029 /nfs/dbraw/zinc/92/60/29/1002926029.db2.gz PAJDFICUCHHSJV-DGCLKSJQSA-N -1 3 353.260 2.599 20 30 FFEDHM C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001092492662 1003068544 /nfs/dbraw/zinc/06/85/44/1003068544.db2.gz WXKUYYCMXOCHBS-HUUCEWRRSA-N -1 3 350.422 2.551 20 30 FFEDHM N#CC1(NC(=O)c2cc([O-])cc(F)c2F)CCN(Cc2ccccc2)CC1 ZINC001192679361 1004235456 /nfs/dbraw/zinc/23/54/56/1004235456.db2.gz SKNOWIXQNPHKIR-UHFFFAOYSA-N -1 3 371.387 2.959 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cnccc2Cl)c(Br)n1 ZINC001192855459 1004305795 /nfs/dbraw/zinc/30/57/95/1004305795.db2.gz JDDXOECJFLKCTM-UHFFFAOYSA-N -1 3 373.619 2.565 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)cc(C)c1I ZINC001193148896 1004391274 /nfs/dbraw/zinc/39/12/74/1004391274.db2.gz HGTSSACZUOPKNN-SECBINFHSA-N -1 3 364.208 2.562 20 30 FFEDHM CC(C)(O)C#Cc1cccc([N-]S(=O)(=O)Cc2noc3ccccc23)c1 ZINC001194100770 1004660262 /nfs/dbraw/zinc/66/02/62/1004660262.db2.gz NJRVHXUIPLVILQ-UHFFFAOYSA-N -1 3 370.430 2.892 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(=O)OCC ZINC001194187058 1004675284 /nfs/dbraw/zinc/67/52/84/1004675284.db2.gz PBZNQNHLQCXRAC-HNNXBMFYSA-N -1 3 359.875 2.700 20 30 FFEDHM Cc1nn(CC2CCOCC2)c(C)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001198655315 1004693369 /nfs/dbraw/zinc/69/33/69/1004693369.db2.gz MISNACAQSVBAEI-UHFFFAOYSA-N -1 3 354.410 2.756 20 30 FFEDHM C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(-c2ccc(F)cc2)no1 ZINC000747459450 1004755473 /nfs/dbraw/zinc/75/54/73/1004755473.db2.gz SGBLUOXFFVPYPC-JTQLQIEISA-N -1 3 372.381 2.675 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c(C#N)c[nH]c3c2)cc1F ZINC001194981771 1004863182 /nfs/dbraw/zinc/86/31/82/1004863182.db2.gz OACLAYPUPWGRSM-UHFFFAOYSA-N -1 3 372.381 2.802 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cncc(OC(F)F)c1 ZINC001199296424 1004896345 /nfs/dbraw/zinc/89/63/45/1004896345.db2.gz NSNFGUYEPKBZGX-UHFFFAOYSA-N -1 3 353.306 2.655 20 30 FFEDHM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cc(C)cc(C#N)c1 ZINC001195409391 1004953494 /nfs/dbraw/zinc/95/34/94/1004953494.db2.gz OVKVEPLCKBEURA-UHFFFAOYSA-N -1 3 350.334 2.832 20 30 FFEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cnn(CC(=O)OC)c1 ZINC001201834725 1005277145 /nfs/dbraw/zinc/27/71/45/1005277145.db2.gz VFHFGSSODHIUTB-UHFFFAOYSA-N -1 3 359.492 2.939 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000776274711 1005340166 /nfs/dbraw/zinc/34/01/66/1005340166.db2.gz OIOOZBKLOREJEA-LJQANCHMSA-N -1 3 350.374 2.688 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(COC[C@@H]3CCCO3)c2)c1[O-] ZINC000852998488 1006271228 /nfs/dbraw/zinc/27/12/28/1006271228.db2.gz MTMKNIDSFLWNQV-SNINMWPCSA-N -1 3 370.449 2.903 20 30 FFEDHM CCC1(CC)[C@@H](OC)C[C@@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000130942759 1006633912 /nfs/dbraw/zinc/63/39/12/1006633912.db2.gz CUOVZMKHWUUQJU-IRXDYDNUSA-N -1 3 360.454 2.933 20 30 FFEDHM C=C[C@@H]1C[C@]1(NC(=O)c1cccc(OC(F)(F)F)c1[O-])C(=O)OCC ZINC001189766534 1007264105 /nfs/dbraw/zinc/26/41/05/1007264105.db2.gz WIDAXEPBFQYWON-RFAUZJTJSA-N -1 3 359.300 2.528 20 30 FFEDHM COc1cncc(NC(=O)OC(C)(C)C)c1C(=O)[N-]c1onc(C)c1C#N ZINC001190068204 1007427019 /nfs/dbraw/zinc/42/70/19/1007427019.db2.gz NIZWKBSUAICANT-UHFFFAOYSA-N -1 3 373.369 2.858 20 30 FFEDHM COc1ncccc1[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C1CC1 ZINC001190677154 1007746395 /nfs/dbraw/zinc/74/63/95/1007746395.db2.gz JYFANUBREXCALQ-INIZCTEOSA-N -1 3 361.398 2.531 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000820476578 1008339426 /nfs/dbraw/zinc/33/94/26/1008339426.db2.gz MYXYYWMKCPWCBI-VNHYZAJKSA-N -1 3 371.462 2.843 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCN(c2ccccc2F)C1=O ZINC001136735512 1009098970 /nfs/dbraw/zinc/09/89/70/1009098970.db2.gz YSNBJSMTPPZJLM-OAHLLOKOSA-N -1 3 373.334 2.711 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@]2(F)C[C@@H]2C(=O)OCc2ccccc2)ccc1[O-] ZINC001178862908 1009176233 /nfs/dbraw/zinc/17/62/33/1009176233.db2.gz LIJXFSBARLPKCV-DNVCBOLYSA-N -1 3 354.337 2.674 20 30 FFEDHM C=CCN1CC[C@]2(CCCN(C(=O)c3cc([O-])c(C)c(F)c3)CC2)C1=O ZINC001274117970 1009420770 /nfs/dbraw/zinc/42/07/70/1009420770.db2.gz ZYNLOSJZZFHIGJ-HXUWFJFHSA-N -1 3 360.429 2.871 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])ccc1C ZINC000119622529 1010320349 /nfs/dbraw/zinc/32/03/49/1010320349.db2.gz FVFSOGRASZCFKM-CQSZACIVSA-N -1 3 353.334 2.873 20 30 FFEDHM C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1cccc(C#N)c1[O-] ZINC000866356930 1010982685 /nfs/dbraw/zinc/98/26/85/1010982685.db2.gz BAYFAWGGZDELQT-CABCVRRESA-N -1 3 353.422 2.925 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC12CCOCC2 ZINC000871574508 1013007142 /nfs/dbraw/zinc/00/71/42/1013007142.db2.gz HTBUYXALSOVTPR-OAHLLOKOSA-N -1 3 357.454 2.531 20 30 FFEDHM Cc1ccc(C#N)c(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccccc3[O-])C2)n1 ZINC001055491547 1017595787 /nfs/dbraw/zinc/59/57/87/1017595787.db2.gz MHRRRBAODZZRJH-KKSFZXQISA-N -1 3 362.433 2.756 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1[O-] ZINC000749105556 1018104975 /nfs/dbraw/zinc/10/49/75/1018104975.db2.gz VEEGOPCZNGFSEG-UHFFFAOYSA-N -1 3 374.872 2.744 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNc1ccc(C#N)cn1 ZINC001053266940 1018230903 /nfs/dbraw/zinc/23/09/03/1018230903.db2.gz OIHBIDTXFAQLGU-GDBMZVCRSA-N -1 3 350.422 2.869 20 30 FFEDHM Cc1cc(NCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)c(C#N)cn1 ZINC001053266434 1018231127 /nfs/dbraw/zinc/23/11/27/1018231127.db2.gz FGEXRKGPCRNEGA-GDBMZVCRSA-N -1 3 364.449 2.600 20 30 FFEDHM Cc1nc(NC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)ccc1C#N ZINC001053641195 1018395668 /nfs/dbraw/zinc/39/56/68/1018395668.db2.gz FDLJABDPQTZFSK-CZUORRHYSA-N -1 3 350.422 2.788 20 30 FFEDHM CCc1nc(C#N)cc(N[C@@H]2CC[C@H](CNC(=O)c3ccccc3[O-])C2)n1 ZINC001047161208 1019002458 /nfs/dbraw/zinc/00/24/58/1019002458.db2.gz PNCDRRQSHKXBLI-UONOGXRCSA-N -1 3 365.437 2.627 20 30 FFEDHM Cc1cc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2ccccc2[O-])c(C#N)cn1 ZINC001048023573 1019783612 /nfs/dbraw/zinc/78/36/12/1019783612.db2.gz FOCFYWFOIXDXGG-PBHICJAKSA-N -1 3 364.449 2.742 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cc(F)cc3[n-]nnc32)c1C ZINC000800259461 1020167873 /nfs/dbraw/zinc/16/78/73/1020167873.db2.gz NUSJAFHVORNABV-UHFFFAOYSA-N -1 3 356.357 2.741 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cc(F)cc3nn[n-]c32)c1C ZINC000800259461 1020167878 /nfs/dbraw/zinc/16/78/78/1020167878.db2.gz NUSJAFHVORNABV-UHFFFAOYSA-N -1 3 356.357 2.741 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cc(F)cc3n[n-]nc32)c1C ZINC000800259461 1020167886 /nfs/dbraw/zinc/16/78/86/1020167886.db2.gz NUSJAFHVORNABV-UHFFFAOYSA-N -1 3 356.357 2.741 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](C#N)C3)nc(=O)c2c1C ZINC000932156102 1020725975 /nfs/dbraw/zinc/72/59/75/1020725975.db2.gz VYXZFOHYALZARN-NEPJUHHUSA-N -1 3 374.466 2.766 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cl)nc(N(C)C)c1 ZINC000113653251 1021931155 /nfs/dbraw/zinc/93/11/55/1021931155.db2.gz FJPOTKQBBUEYBH-GFCCVEGCSA-N -1 3 372.812 2.771 20 30 FFEDHM S=c1[n-]c2ccccc2nc1NN=Cc1cn(C[C@H]2CCCO2)nn1 ZINC001119010500 1022522700 /nfs/dbraw/zinc/52/27/00/1022522700.db2.gz KTHPZKOYMWCJNG-GFCCVEGCSA-N -1 3 355.427 2.509 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1n[nH]c(C)c1C ZINC001122496737 1023305257 /nfs/dbraw/zinc/30/52/57/1023305257.db2.gz OYWWOLAUIZZHEW-NSHDSACASA-N -1 3 360.801 2.958 20 30 FFEDHM N#CC(=C([O-])c1cncc(OCC(F)F)c1)c1nnc2n1CCCCC2 ZINC001122499904 1023306528 /nfs/dbraw/zinc/30/65/28/1023306528.db2.gz OBJDTEHPHQPEDB-ZDUSSCGKSA-N -1 3 361.352 2.533 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000779197363 1023342781 /nfs/dbraw/zinc/34/27/81/1023342781.db2.gz RNQJWGUXYLZWPG-ZDUSSCGKSA-N -1 3 367.317 2.593 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001121652253 1023904832 /nfs/dbraw/zinc/90/48/32/1023904832.db2.gz JIHHWBRWWJUGBY-HNNXBMFYSA-N -1 3 373.457 2.858 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(N2CCCCCC2)nc1 ZINC000193531378 1024560879 /nfs/dbraw/zinc/56/08/79/1024560879.db2.gz DYDGMSJLIWSLCG-INIZCTEOSA-N -1 3 363.421 2.818 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)OCC)c2)cc1 ZINC000795319701 1025501490 /nfs/dbraw/zinc/50/14/90/1025501490.db2.gz UDOFQPDKNJEGEJ-UHFFFAOYSA-N -1 3 373.430 2.605 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000837501266 1025853308 /nfs/dbraw/zinc/85/33/08/1025853308.db2.gz MAWCSYNLIXTJGS-QGZVFWFLSA-N -1 3 364.405 2.643 20 30 FFEDHM N#Cc1ccc(C[C@@H](C#N)C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000795826104 1028171060 /nfs/dbraw/zinc/17/10/60/1028171060.db2.gz SANRHWYMMNOQMZ-HNNXBMFYSA-N -1 3 374.356 2.740 20 30 FFEDHM COc1cc(C)[nH]c(=O)c1CNc1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001161739622 1028300445 /nfs/dbraw/zinc/30/04/45/1028300445.db2.gz GFWZXHFLBNFWIC-UBKPWBPPSA-N -1 3 369.834 2.690 20 30 FFEDHM C[C@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1ccsc1 ZINC001161802087 1028317493 /nfs/dbraw/zinc/31/74/93/1028317493.db2.gz HCRGHBGDGHXDKS-LBPRGKRZSA-N -1 3 358.419 2.756 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001161826787 1028328424 /nfs/dbraw/zinc/32/84/24/1028328424.db2.gz LSKWLJVGUIKVJU-ZDUSSCGKSA-N -1 3 360.501 2.699 20 30 FFEDHM Cc1cccnc1[C@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C1CC1 ZINC001154559667 1028354239 /nfs/dbraw/zinc/35/42/39/1028354239.db2.gz PWYMPLLFSGOKSF-HXUWFJFHSA-N -1 3 358.401 2.984 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCCc3cc(F)cc(F)c3)cc(=O)c2c1 ZINC001154560316 1028355202 /nfs/dbraw/zinc/35/52/02/1028355202.db2.gz IUUXYJKMNDETBP-UHFFFAOYSA-N -1 3 353.328 2.650 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3[nH]ccc3cn2)c(C)c1[O-] ZINC001154965743 1028530000 /nfs/dbraw/zinc/53/00/00/1028530000.db2.gz KKBVRCJLRGLOTO-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1NCCCc1c[n-][nH]c1=O ZINC001164373738 1029261983 /nfs/dbraw/zinc/26/19/83/1029261983.db2.gz BPPWKULKOHCMMC-VIFPVBQESA-N -1 3 372.772 2.592 20 30 FFEDHM COc1cc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)ccc1C#N ZINC001157017927 1029441969 /nfs/dbraw/zinc/44/19/69/1029441969.db2.gz YXUHLPCSQIXRHK-UHFFFAOYSA-N -1 3 367.792 2.992 20 30 FFEDHM Cc1cc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1C#N ZINC000782790464 1029820508 /nfs/dbraw/zinc/82/05/08/1029820508.db2.gz CDSFLJYVAPRQHI-GOSISDBHSA-N -1 3 364.401 2.920 20 30 FFEDHM C=CCNC(=O)C(C#N)=C([O-])c1cccc(CN(C)Cc2ccccc2)c1 ZINC000784831641 1030837951 /nfs/dbraw/zinc/83/79/51/1030837951.db2.gz NYAWCEMFRBSMSZ-HXUWFJFHSA-N -1 3 361.445 2.943 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2c1C[C@H](C)CC2 ZINC000842687064 1030902385 /nfs/dbraw/zinc/90/23/85/1030902385.db2.gz UBDXSEUFAZMCTM-ZIAGYGMSSA-N -1 3 366.421 2.825 20 30 FFEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccoc1C1CC1 ZINC000798816423 1031554744 /nfs/dbraw/zinc/55/47/44/1031554744.db2.gz KVCIYGPOOUTDNV-CQSZACIVSA-N -1 3 352.346 2.889 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2oc(=O)oc2c1 ZINC000799416215 1031765662 /nfs/dbraw/zinc/76/56/62/1031765662.db2.gz GTVDWVDFENZJRJ-UHFFFAOYSA-N -1 3 354.318 2.513 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](O/C(=N\[O-])c2ccccn2)C1 ZINC001223977051 1033665396 /nfs/dbraw/zinc/66/53/96/1033665396.db2.gz FCCWAMKTOAFUOI-BGLYEWQXSA-N -1 3 353.394 2.972 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC000830858139 1033826540 /nfs/dbraw/zinc/82/65/40/1033826540.db2.gz BGWAORUYOAMOGQ-GFCCVEGCSA-N -1 3 365.433 2.848 20 30 FFEDHM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225997782 1034484478 /nfs/dbraw/zinc/48/44/78/1034484478.db2.gz HKCCQRPWZUIPML-UHFFFAOYSA-N -1 3 362.378 2.581 20 30 FFEDHM CC1=C(Oc2[n-]c(=O)nc3ccc(Br)cc32)C(=O)[C@H](C)O1 ZINC001226296839 1034618235 /nfs/dbraw/zinc/61/82/35/1034618235.db2.gz YTOSURQAIRJQQM-LURJTMIESA-N -1 3 351.156 2.696 20 30 FFEDHM CC(=O)c1ccc([O-])c(O[C@@H]2CCN(Cc3ccccc3C#N)C2)c1O ZINC001226483893 1034707662 /nfs/dbraw/zinc/70/76/62/1034707662.db2.gz ZZRKYPQTGPZVNM-MRXNPFEDSA-N -1 3 352.390 2.825 20 30 FFEDHM CCOC(=O)C1(C#N)CCN(Cc2cccc([O-])c2Br)CC1 ZINC001140553064 1035616199 /nfs/dbraw/zinc/61/61/99/1035616199.db2.gz SFGLZHNLLOLAGN-UHFFFAOYSA-N -1 3 367.243 2.824 20 30 FFEDHM N#Cc1ccc([O-])c(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 ZINC001232677344 1035936183 /nfs/dbraw/zinc/93/61/83/1035936183.db2.gz LHUVXSOGSHITHB-KRWDZBQOSA-N -1 3 352.438 2.519 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698071 1036269212 /nfs/dbraw/zinc/26/92/12/1036269212.db2.gz SBGIIQHKACMXGE-AWEZNQCLSA-N -1 3 357.414 2.811 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001233801355 1036770584 /nfs/dbraw/zinc/77/05/84/1036770584.db2.gz YLYJZIIQZUCYON-RMYPEMPFSA-N -1 3 354.378 2.840 20 30 FFEDHM C=C[C@H](Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C)C(=O)OC ZINC001234175018 1036956648 /nfs/dbraw/zinc/95/66/48/1036956648.db2.gz DAWRNPNSBDNVFX-AWEZNQCLSA-N -1 3 369.373 2.512 20 30 FFEDHM N#Cc1ccccc1CN1CC[C@H](Oc2nc(=O)[n-]c3c2SCCC3)C1 ZINC001234905095 1037234097 /nfs/dbraw/zinc/23/40/97/1037234097.db2.gz AHHCYJGXFRXZRQ-HNNXBMFYSA-N -1 3 368.462 2.745 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)ccc1OC(F)F ZINC001208043451 1037967986 /nfs/dbraw/zinc/96/79/86/1037967986.db2.gz JCGIRIZRQOYGEW-UHFFFAOYSA-N -1 3 374.390 2.708 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208392674 1038278160 /nfs/dbraw/zinc/27/81/60/1038278160.db2.gz ASRLRLDAGIZBIK-JKIFEVAISA-N -1 3 358.486 2.598 20 30 FFEDHM C=CCOC[C@H]1CN(Cc2occc2[S-])Cc2nnn(CC3CC3)c21 ZINC001237178491 1038465482 /nfs/dbraw/zinc/46/54/82/1038465482.db2.gz WZAVCMMUDJOAKU-CQSZACIVSA-N -1 3 360.483 2.872 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)cc1 ZINC001258126332 1039202772 /nfs/dbraw/zinc/20/27/72/1039202772.db2.gz IGLZJBFWIJMQHR-UHFFFAOYSA-N -1 3 352.419 2.831 20 30 FFEDHM CCOC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258135872 1039212399 /nfs/dbraw/zinc/21/23/99/1039212399.db2.gz JAKJIPUYNLWEHB-UHFFFAOYSA-N -1 3 362.382 2.604 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1 ZINC001251838659 1039318680 /nfs/dbraw/zinc/31/86/80/1039318680.db2.gz XORXIEAIBUIRQG-UHFFFAOYSA-N -1 3 351.334 2.596 20 30 FFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]C1=CC(=O)CC(C)(C)C1)C(=O)C2 ZINC001258975795 1039632080 /nfs/dbraw/zinc/63/20/80/1039632080.db2.gz DFBHCDHTWLMURS-SGTLLEGYSA-N -1 3 353.484 2.574 20 30 FFEDHM N#Cc1cc(NC(=S)Nc2ccc(N3CCOCC3)cc2)ccc1[O-] ZINC001247245815 1039672586 /nfs/dbraw/zinc/67/25/86/1039672586.db2.gz ZHFRIYTVEGHVON-UHFFFAOYSA-N -1 3 354.435 2.909 20 30 FFEDHM CCOC(=O)Nc1ccc(NC(=O)CCc2c(C)nc[n-]c2=O)cc1C#N ZINC001253526820 1040219971 /nfs/dbraw/zinc/21/99/71/1040219971.db2.gz OLNFTNHUGBWKKN-UHFFFAOYSA-N -1 3 369.381 2.502 20 30 FFEDHM Cc1noc(-c2ccc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cc2)n1 ZINC001260043882 1040374513 /nfs/dbraw/zinc/37/45/13/1040374513.db2.gz PCPMUNUTKPHWCL-UHFFFAOYSA-N -1 3 354.391 2.859 20 30 FFEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)OCC ZINC001213383515 1040496066 /nfs/dbraw/zinc/49/60/66/1040496066.db2.gz RIDMBNPNKUWNSP-NSHDSACASA-N -1 3 370.229 2.832 20 30 FFEDHM C#CC1([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001260886851 1040868697 /nfs/dbraw/zinc/86/86/97/1040868697.db2.gz WFORLFCTASUZOI-UHFFFAOYSA-N -1 3 368.174 2.912 20 30 FFEDHM CCCCCCCNC(=S)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001249636828 1040910610 /nfs/dbraw/zinc/91/06/10/1040910610.db2.gz HBDZKTSOMUOEMS-UHFFFAOYSA-N -1 3 353.454 2.974 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3nc(Cl)c(C#N)s3)C2)n1 ZINC001262705217 1041804447 /nfs/dbraw/zinc/80/44/47/1041804447.db2.gz CBHCJZJCQNHXRA-VIFPVBQESA-N -1 3 350.835 2.553 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)n1 ZINC001262705216 1041804529 /nfs/dbraw/zinc/80/45/29/1041804529.db2.gz CBHCJZJCQNHXRA-SECBINFHSA-N -1 3 350.835 2.553 20 30 FFEDHM C=CCN1CC[C@]2(CCCN2Cc2ccc(OC)c([O-])c2Cl)C1=O ZINC001276736039 1041973759 /nfs/dbraw/zinc/97/37/59/1041973759.db2.gz QMIOOXTUOLYNRQ-GOSISDBHSA-N -1 3 350.846 2.807 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@](F)(c2ccccc2)C1 ZINC001262962842 1041992572 /nfs/dbraw/zinc/99/25/72/1041992572.db2.gz XQVJFJAXHAZIPO-SFHVURJKSA-N -1 3 355.373 2.900 20 30 FFEDHM C=CCN(CCOC)c1nnc(-c2c[n-]oc2=O)n1CCc1ccccc1 ZINC001263182882 1042155011 /nfs/dbraw/zinc/15/50/11/1042155011.db2.gz BFEBYSTVGISQBD-UHFFFAOYSA-N -1 3 369.425 2.520 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCc2c(O)cccc2C1 ZINC001263288090 1042222697 /nfs/dbraw/zinc/22/26/97/1042222697.db2.gz FQYIYGKXNINTFZ-UHFFFAOYSA-N -1 3 371.832 2.561 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCc2c(O)cccc2C1 ZINC001263288090 1042222698 /nfs/dbraw/zinc/22/26/98/1042222698.db2.gz FQYIYGKXNINTFZ-UHFFFAOYSA-N -1 3 371.832 2.561 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(F)F)cn2)c1 ZINC001263292940 1042225625 /nfs/dbraw/zinc/22/56/25/1042225625.db2.gz XQNSUCQNLOKXHU-ZDUSSCGKSA-N -1 3 361.304 2.653 20 30 FFEDHM C=CCOC[C@H]1CN(Cc2cc([O-])cc(F)c2)Cc2nnn(CC3CC3)c21 ZINC001237278168 1043085914 /nfs/dbraw/zinc/08/59/14/1043085914.db2.gz JMGXFIFKFODKER-MRXNPFEDSA-N -1 3 372.444 2.835 20 30 FFEDHM CSc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)cc1C#N ZINC001309845269 1043551711 /nfs/dbraw/zinc/55/17/11/1043551711.db2.gz FHHWXUABHGNLLD-UHFFFAOYSA-N -1 3 371.846 2.946 20 30 FFEDHM C#CCOc1ccccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001310574002 1043709993 /nfs/dbraw/zinc/70/99/93/1043709993.db2.gz VCQMPEKVDWQEQK-SECBINFHSA-N -1 3 353.304 2.718 20 30 FFEDHM C=CC[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC001334182534 1049295846 /nfs/dbraw/zinc/29/58/46/1049295846.db2.gz NGUCGRVOLKSPKE-HUUCEWRRSA-N -1 3 365.499 2.850 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](CC)[C@@H]2C)ccc1F ZINC001296701321 1050083353 /nfs/dbraw/zinc/08/33/53/1050083353.db2.gz NIWTVJCPTSQXEL-STQMWFEESA-N -1 3 354.447 2.551 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001298543397 1050470219 /nfs/dbraw/zinc/47/02/19/1050470219.db2.gz QTVQEVAMLBMCQH-OAHLLOKOSA-N -1 3 362.332 2.867 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC2(CC2(F)F)CC1 ZINC001340593993 1050979489 /nfs/dbraw/zinc/97/94/89/1050979489.db2.gz OKESJCOVYHQBTG-UHFFFAOYSA-N -1 3 355.780 2.528 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC2(CC2(F)F)CC1 ZINC001340593993 1050979501 /nfs/dbraw/zinc/97/95/01/1050979501.db2.gz OKESJCOVYHQBTG-UHFFFAOYSA-N -1 3 355.780 2.528 20 30 FFEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001340612130 1050993382 /nfs/dbraw/zinc/99/33/82/1050993382.db2.gz JKMOFVLHJFMUBX-GASCZTMLSA-N -1 3 374.872 2.691 20 30 FFEDHM Cc1cc(C)n2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c2n1 ZINC001342522755 1051125371 /nfs/dbraw/zinc/12/53/71/1051125371.db2.gz WTIDUWZHOQGTHK-GFCCVEGCSA-N -1 3 367.796 2.961 20 30 FFEDHM C#CCC1(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCC1 ZINC001303936882 1051474989 /nfs/dbraw/zinc/47/49/89/1051474989.db2.gz ODFBQMSLOAJRHL-UHFFFAOYSA-N -1 3 359.223 2.966 20 30 FFEDHM Cc1cc(C=O)c([O-])c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC001542504852 1071245236 /nfs/dbraw/zinc/24/52/36/1071245236.db2.gz KCFLETQJJUQPQQ-UHFFFAOYSA-N -1 3 365.433 2.589 20 30 FFEDHM CCCCS[C@@H](C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892321 1052213528 /nfs/dbraw/zinc/21/35/28/1052213528.db2.gz CXKCVNIEVMBZRD-ZDUSSCGKSA-N -1 3 364.467 2.812 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCc2ccc(OC)cc2C1 ZINC001343735571 1052395158 /nfs/dbraw/zinc/39/51/58/1052395158.db2.gz ZVVNPXVNVZEKTP-UHFFFAOYSA-N -1 3 367.409 2.786 20 30 FFEDHM C[C@@H]1CCN(C(=O)CC(F)(F)C(F)(F)F)[C@H](C[N-]C(=O)C(F)F)C1 ZINC001344530823 1052820616 /nfs/dbraw/zinc/82/06/16/1052820616.db2.gz POSUWYRIWLVJQO-SFYZADRCSA-N -1 3 366.277 2.583 20 30 FFEDHM C=CCCn1cc(CN[C@@H](Cc2cccc3ccccc32)C(=O)[O-])nn1 ZINC001346683201 1053217925 /nfs/dbraw/zinc/21/79/25/1053217925.db2.gz NHRVLGPVKCPEFA-IBGZPJMESA-N -1 3 350.422 2.793 20 30 FFEDHM C=C[C@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC001347461365 1054006620 /nfs/dbraw/zinc/00/66/20/1054006620.db2.gz DFEIVJMKIIBEDA-INIZCTEOSA-N -1 3 368.437 2.657 20 30 FFEDHM C=C[C@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC001347461365 1054006632 /nfs/dbraw/zinc/00/66/32/1054006632.db2.gz DFEIVJMKIIBEDA-INIZCTEOSA-N -1 3 368.437 2.657 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)n1 ZINC001348301311 1054617156 /nfs/dbraw/zinc/61/71/56/1054617156.db2.gz FIWOVICQSDFTGV-SECBINFHSA-N -1 3 350.835 2.553 20 30 FFEDHM C=C(CC(C)C)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC001348567222 1054796139 /nfs/dbraw/zinc/79/61/39/1054796139.db2.gz JAYSZJQTBQWDIQ-UHFFFAOYSA-N -1 3 356.426 2.867 20 30 FFEDHM C=C(CC(C)C)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC001348567222 1054796146 /nfs/dbraw/zinc/79/61/46/1054796146.db2.gz JAYSZJQTBQWDIQ-UHFFFAOYSA-N -1 3 356.426 2.867 20 30 FFEDHM C=C[C@@H](CC(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001349214445 1055146113 /nfs/dbraw/zinc/14/61/13/1055146113.db2.gz UOSMZKPTLXGYBG-WMZOPIPTSA-N -1 3 366.465 2.936 20 30 FFEDHM OCCn1ncc2c1CCCC2=NNc1nc2ccccc2[n-]c1=S ZINC001349816477 1055483895 /nfs/dbraw/zinc/48/38/95/1055483895.db2.gz CNKXKAWIGMVKAJ-UHFFFAOYSA-N -1 3 354.439 2.634 20 30 FFEDHM Cc1cc(=O)[n-]c(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)n1 ZINC001300202282 1056096837 /nfs/dbraw/zinc/09/68/37/1056096837.db2.gz VYWDEIFJWXVVIA-UHFFFAOYSA-N -1 3 374.400 2.871 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(F)nc1C ZINC001339301377 1056307102 /nfs/dbraw/zinc/30/71/02/1056307102.db2.gz UCYYINPWHQGWHQ-UHFFFAOYSA-N -1 3 358.398 2.883 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(OCCC(C)C)CC1 ZINC001339659044 1056683207 /nfs/dbraw/zinc/68/32/07/1056683207.db2.gz WUDHPMMUYLBGDZ-UHFFFAOYSA-N -1 3 361.446 2.856 20 30 FFEDHM COc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)ccc1F ZINC001200560138 1058587407 /nfs/dbraw/zinc/58/74/07/1058587407.db2.gz SWLKKJRODBUEGH-UHFFFAOYSA-N -1 3 360.288 2.924 20 30 FFEDHM COc1cccc(CC2(C(=O)N[C@@H]3CCCN([O-])C3=O)CCCCC2)c1 ZINC000848131994 1059098877 /nfs/dbraw/zinc/09/88/77/1059098877.db2.gz GLRXLYVRJQCKEO-QGZVFWFLSA-N -1 3 360.454 2.685 20 30 FFEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(OCCOC)c2ccccc2n1 ZINC001520036265 1059334465 /nfs/dbraw/zinc/33/44/65/1059334465.db2.gz LKESUTQVPZHJCV-HNNXBMFYSA-N -1 3 364.405 2.966 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=Cc1nccs1 ZINC001515116014 1059345823 /nfs/dbraw/zinc/34/58/23/1059345823.db2.gz ZXYHFWXNEXCXOH-FJOGCWAESA-N -1 3 371.418 2.870 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1nccs1 ZINC001515116014 1059345846 /nfs/dbraw/zinc/34/58/46/1059345846.db2.gz ZXYHFWXNEXCXOH-FJOGCWAESA-N -1 3 371.418 2.870 20 30 FFEDHM CCn1c(C)cc2n[n-]c(NC(=O)c3[nH]c4ccccc4c3C#N)c2c1=O ZINC001457890216 1060465270 /nfs/dbraw/zinc/46/52/70/1060465270.db2.gz VABWQSUZXCSQSY-UHFFFAOYSA-N -1 3 360.377 2.658 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H]4OCC[C@@H]4C3)n2C)c1[O-] ZINC001355747042 1060557492 /nfs/dbraw/zinc/55/74/92/1060557492.db2.gz ZQSDFXFKMSWIDX-WBVHZDCISA-N -1 3 354.454 2.922 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCC(F)(F)C1 ZINC001355901691 1060711123 /nfs/dbraw/zinc/71/11/23/1060711123.db2.gz ZZKIAGMLOBHYGM-UHFFFAOYSA-N -1 3 362.384 2.740 20 30 FFEDHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC001475333929 1061052220 /nfs/dbraw/zinc/05/22/20/1061052220.db2.gz AFQZDXLTJVUXQH-MRXNPFEDSA-N -1 3 369.450 2.751 20 30 FFEDHM Cn1ccnc1[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC001475454782 1061098240 /nfs/dbraw/zinc/09/82/40/1061098240.db2.gz UGJZGVKYCXRDRE-AWEZNQCLSA-N -1 3 372.475 2.616 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cnn(-c2ccccc2)c1 ZINC001461577219 1061354299 /nfs/dbraw/zinc/35/42/99/1061354299.db2.gz MRZLYXCZOUJPDU-UHFFFAOYSA-N -1 3 362.389 3.000 20 30 FFEDHM COC(=O)[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)c1cc(F)ccc1F ZINC001527516825 1061522619 /nfs/dbraw/zinc/52/26/19/1061522619.db2.gz JVISANUWAFSKTG-JTQLQIEISA-N -1 3 361.213 2.883 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1F ZINC001464200298 1062480628 /nfs/dbraw/zinc/48/06/28/1062480628.db2.gz HPLLBDOIGNIJES-NWDGAFQWSA-N -1 3 361.236 2.880 20 30 FFEDHM C=C(CCC(=O)OC)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC001464238202 1062498627 /nfs/dbraw/zinc/49/86/27/1062498627.db2.gz PVEGJMXVGHANQS-UHFFFAOYSA-N -1 3 355.394 2.860 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC ZINC001464255911 1062507746 /nfs/dbraw/zinc/50/77/46/1062507746.db2.gz OICHWNNZXKCUER-ZDUSSCGKSA-N -1 3 366.266 2.921 20 30 FFEDHM Cc1cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)n(CCC#N)n1 ZINC001442006677 1063489193 /nfs/dbraw/zinc/48/91/93/1063489193.db2.gz DLDWOHDSQIKCDY-UHFFFAOYSA-N -1 3 355.785 2.852 20 30 FFEDHM C#C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Br)cc1 ZINC001468452404 1063988924 /nfs/dbraw/zinc/98/89/24/1063988924.db2.gz YNRBGTSFNSTBDX-CYBMUJFWSA-N -1 3 373.185 2.964 20 30 FFEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)N1C(=O)c2ccccc2C1=O ZINC001472620098 1065113399 /nfs/dbraw/zinc/11/33/99/1065113399.db2.gz OMQZAHKPQZFXGY-LLVKDONJSA-N -1 3 358.781 2.743 20 30 FFEDHM O=C([C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N([O-])Cc1ccc(F)cc1 ZINC001472623293 1065114067 /nfs/dbraw/zinc/11/40/67/1065114067.db2.gz ZJYIHCYVLIZFIN-LBPRGKRZSA-N -1 3 364.323 2.875 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1cccc(C#N)c1 ZINC001580310835 1078785157 /nfs/dbraw/zinc/78/51/57/1078785157.db2.gz RFJCAWWTQMXEKP-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1ccc(F)cc1C#N ZINC001580614337 1078837079 /nfs/dbraw/zinc/83/70/79/1078837079.db2.gz VAOCBDRRTKMSRO-UHFFFAOYSA-N -1 3 350.357 2.676 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1ccc(F)cc1C#N ZINC001580614337 1078837095 /nfs/dbraw/zinc/83/70/95/1078837095.db2.gz VAOCBDRRTKMSRO-UHFFFAOYSA-N -1 3 350.357 2.676 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001581138365 1078923390 /nfs/dbraw/zinc/92/33/90/1078923390.db2.gz XCFKNZDGNDOQNT-PLSXKVAHSA-N -1 3 361.405 2.791 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001581138365 1078923404 /nfs/dbraw/zinc/92/34/04/1078923404.db2.gz XCFKNZDGNDOQNT-PLSXKVAHSA-N -1 3 361.405 2.791 20 30 FFEDHM N#Cc1ccc(N(C(=O)c2cscc2-c2nnn[n-]2)C2CCC2)cc1 ZINC001581871173 1079010065 /nfs/dbraw/zinc/01/00/65/1079010065.db2.gz KFYKSQYUWGVNHT-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#Cc1ccc(N(C(=O)c2cscc2-c2nn[n-]n2)C2CCC2)cc1 ZINC001581871173 1079010070 /nfs/dbraw/zinc/01/00/70/1079010070.db2.gz KFYKSQYUWGVNHT-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#Cc1cc(CNc2cc(Br)c(-c3nnn[n-]3)cc2F)ccn1 ZINC001581866605 1079010346 /nfs/dbraw/zinc/01/03/46/1079010346.db2.gz LHBAMXNDINPLDA-UHFFFAOYSA-N -1 3 374.177 2.647 20 30 FFEDHM N#Cc1cc(CNc2cc(Br)c(-c3nn[n-]n3)cc2F)ccn1 ZINC001581866605 1079010351 /nfs/dbraw/zinc/01/03/51/1079010351.db2.gz LHBAMXNDINPLDA-UHFFFAOYSA-N -1 3 374.177 2.647 20 30 FFEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC001581869996 1079010454 /nfs/dbraw/zinc/01/04/54/1079010454.db2.gz PDVUIQQVTWBPGA-UHFFFAOYSA-N -1 3 359.802 2.775 20 30 FFEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC001581869996 1079010460 /nfs/dbraw/zinc/01/04/60/1079010460.db2.gz PDVUIQQVTWBPGA-UHFFFAOYSA-N -1 3 359.802 2.775 20 30 FFEDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001556527792 1075749759 /nfs/dbraw/zinc/74/97/59/1075749759.db2.gz GBYVWLRTIKNOMH-YCPHGPKFSA-N -1 3 366.421 2.564 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001556527661 1075750161 /nfs/dbraw/zinc/75/01/61/1075750161.db2.gz CWBMSOKATZPFSI-GHMZBOCLSA-N -1 3 372.812 2.705 20 30 FFEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001559035297 1076118213 /nfs/dbraw/zinc/11/82/13/1076118213.db2.gz KUKWZWDLZPBXRZ-NSHDSACASA-N -1 3 355.232 2.820 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001561590555 1076396215 /nfs/dbraw/zinc/39/62/15/1076396215.db2.gz PJKRDYPOQOKNSE-AWEZNQCLSA-N -1 3 366.345 2.834 20 30 FFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001561798708 1076425079 /nfs/dbraw/zinc/42/50/79/1076425079.db2.gz SYBPLRRVJBGIAJ-AWEZNQCLSA-N -1 3 350.465 2.517 20 30 FFEDHM C=C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C)c1ccccc1 ZINC001572896612 1077415621 /nfs/dbraw/zinc/41/56/21/1077415621.db2.gz ZLUCBIGYWANOLV-HHXXYDBFSA-N -1 3 364.445 2.939 20 30 FFEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1F ZINC001588329262 1079985816 /nfs/dbraw/zinc/98/58/16/1079985816.db2.gz BROFDODTNRDTJE-LBPRGKRZSA-N -1 3 361.789 2.825 20 30 FFEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1F ZINC001588329262 1079985820 /nfs/dbraw/zinc/98/58/20/1079985820.db2.gz BROFDODTNRDTJE-LBPRGKRZSA-N -1 3 361.789 2.825 20 30 FFEDHM C#CCCCCC(=O)NC[C@@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588341874 1079990141 /nfs/dbraw/zinc/99/01/41/1079990141.db2.gz AEESLNDCGFXGMZ-CYBMUJFWSA-N -1 3 358.421 2.506 20 30 FFEDHM C#CCCCCC(=O)NC[C@@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588341874 1079990148 /nfs/dbraw/zinc/99/01/48/1079990148.db2.gz AEESLNDCGFXGMZ-CYBMUJFWSA-N -1 3 358.421 2.506 20 30 FFEDHM C#CCCCC(=O)N[C@@H](C)CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588337697 1079990251 /nfs/dbraw/zinc/99/02/51/1079990251.db2.gz BAQVYJKXDKTPME-ZDUSSCGKSA-N -1 3 358.421 2.506 20 30 FFEDHM C#CCCCC(=O)N[C@@H](C)CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588337697 1079990252 /nfs/dbraw/zinc/99/02/52/1079990252.db2.gz BAQVYJKXDKTPME-ZDUSSCGKSA-N -1 3 358.421 2.506 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NC)cc1 ZINC001588347733 1079990455 /nfs/dbraw/zinc/99/04/55/1079990455.db2.gz VQOHOHSRHFBCJM-UHFFFAOYSA-N -1 3 362.393 2.563 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C1 ZINC001588337586 1079990762 /nfs/dbraw/zinc/99/07/62/1079990762.db2.gz SSZCRLUISRDPFA-CYBMUJFWSA-N -1 3 354.414 2.531 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C1 ZINC001588337586 1079990766 /nfs/dbraw/zinc/99/07/66/1079990766.db2.gz SSZCRLUISRDPFA-CYBMUJFWSA-N -1 3 354.414 2.531 20 30 FFEDHM C#CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC1=CCCCC1 ZINC001588349297 1079991874 /nfs/dbraw/zinc/99/18/74/1079991874.db2.gz LRSGUJPSFUQXJU-UHFFFAOYSA-N -1 3 374.452 2.695 20 30 FFEDHM C#CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC1=CCCCC1 ZINC001588349297 1079991877 /nfs/dbraw/zinc/99/18/77/1079991877.db2.gz LRSGUJPSFUQXJU-UHFFFAOYSA-N -1 3 374.452 2.695 20 30 FFEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCCC ZINC001588350549 1079992652 /nfs/dbraw/zinc/99/26/52/1079992652.db2.gz DFXDQCASUALQIZ-UHFFFAOYSA-N -1 3 364.457 2.775 20 30 FFEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCCC ZINC001588350549 1079992657 /nfs/dbraw/zinc/99/26/57/1079992657.db2.gz DFXDQCASUALQIZ-UHFFFAOYSA-N -1 3 364.457 2.775 20 30 FFEDHM C#CCOc1ccccc1NC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588363303 1079994172 /nfs/dbraw/zinc/99/41/72/1079994172.db2.gz XLNJMYBOENHNLA-UHFFFAOYSA-N -1 3 354.395 2.893 20 30 FFEDHM C#CCOc1ccccc1NC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588363303 1079994175 /nfs/dbraw/zinc/99/41/75/1079994175.db2.gz XLNJMYBOENHNLA-UHFFFAOYSA-N -1 3 354.395 2.893 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCC[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588397122 1080008634 /nfs/dbraw/zinc/00/86/34/1080008634.db2.gz WNBHNUTVTBYWJM-JTQLQIEISA-N -1 3 363.491 2.541 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2)OCC ZINC001588401267 1080009606 /nfs/dbraw/zinc/00/96/06/1080009606.db2.gz OIPCLHBPGZWOTA-BLLLJJGKSA-N -1 3 370.457 2.696 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2)OCC ZINC001588401267 1080009615 /nfs/dbraw/zinc/00/96/15/1080009615.db2.gz OIPCLHBPGZWOTA-BLLLJJGKSA-N -1 3 370.457 2.696 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)OCC ZINC001588402719 1080010483 /nfs/dbraw/zinc/01/04/83/1080010483.db2.gz KWLXSPLMZMQWHB-IAGOWNOFSA-N -1 3 355.442 2.732 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)OCC ZINC001588402719 1080010494 /nfs/dbraw/zinc/01/04/94/1080010494.db2.gz KWLXSPLMZMQWHB-IAGOWNOFSA-N -1 3 355.442 2.732 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588409482 1080014259 /nfs/dbraw/zinc/01/42/59/1080014259.db2.gz FGIUOGHTVBZXSG-LJQANCHMSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588409482 1080014271 /nfs/dbraw/zinc/01/42/71/1080014271.db2.gz FGIUOGHTVBZXSG-LJQANCHMSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588412009 1080016648 /nfs/dbraw/zinc/01/66/48/1080016648.db2.gz PFAYXAMDSKAQFY-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588412009 1080016657 /nfs/dbraw/zinc/01/66/57/1080016657.db2.gz PFAYXAMDSKAQFY-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588425961 1080022892 /nfs/dbraw/zinc/02/28/92/1080022892.db2.gz DEKIBVILMSMZSI-SFHVURJKSA-N -1 3 363.421 2.505 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588425961 1080022899 /nfs/dbraw/zinc/02/28/99/1080022899.db2.gz DEKIBVILMSMZSI-SFHVURJKSA-N -1 3 363.421 2.505 20 30 FFEDHM C=C(C)CN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1CC1 ZINC001588425821 1080023368 /nfs/dbraw/zinc/02/33/68/1080023368.db2.gz WCCYPWFZAVCIAT-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM C=C(C)CN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1CC1 ZINC001588425821 1080023377 /nfs/dbraw/zinc/02/33/77/1080023377.db2.gz WCCYPWFZAVCIAT-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H](C)C1 ZINC001588437156 1080027501 /nfs/dbraw/zinc/02/75/01/1080027501.db2.gz UJOVJIHKSQEKLL-AWEZNQCLSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H](C)C1 ZINC001588437156 1080027509 /nfs/dbraw/zinc/02/75/09/1080027509.db2.gz UJOVJIHKSQEKLL-AWEZNQCLSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CC(C)C ZINC001588448443 1080031322 /nfs/dbraw/zinc/03/13/22/1080031322.db2.gz YYUGGLFGDGMGSG-UHFFFAOYSA-N -1 3 372.864 2.970 20 30 FFEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CC(C)C ZINC001588448443 1080031334 /nfs/dbraw/zinc/03/13/34/1080031334.db2.gz YYUGGLFGDGMGSG-UHFFFAOYSA-N -1 3 372.864 2.970 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nnn[n-]1 ZINC001588480696 1080044553 /nfs/dbraw/zinc/04/45/53/1080044553.db2.gz BTHNQMHBYPBMLJ-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nn[n-]n1 ZINC001588480696 1080044561 /nfs/dbraw/zinc/04/45/61/1080044561.db2.gz BTHNQMHBYPBMLJ-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588484503 1080047794 /nfs/dbraw/zinc/04/77/94/1080047794.db2.gz FVGCPRMBUOMQIO-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588484503 1080047800 /nfs/dbraw/zinc/04/78/00/1080047800.db2.gz FVGCPRMBUOMQIO-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC(C)(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588491089 1080051926 /nfs/dbraw/zinc/05/19/26/1080051926.db2.gz CQLXNOLGHVAOSJ-SFHVURJKSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC(C)(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588491089 1080051932 /nfs/dbraw/zinc/05/19/32/1080051932.db2.gz CQLXNOLGHVAOSJ-SFHVURJKSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588492554 1080054063 /nfs/dbraw/zinc/05/40/63/1080054063.db2.gz TVONOSBZIRNFAM-LIRRHRJNSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588492554 1080054071 /nfs/dbraw/zinc/05/40/71/1080054071.db2.gz TVONOSBZIRNFAM-LIRRHRJNSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588492270 1080054736 /nfs/dbraw/zinc/05/47/36/1080054736.db2.gz QEPHNTPUCYOQGY-LIRRHRJNSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001588492270 1080054746 /nfs/dbraw/zinc/05/47/46/1080054746.db2.gz QEPHNTPUCYOQGY-LIRRHRJNSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588494571 1080058098 /nfs/dbraw/zinc/05/80/98/1080058098.db2.gz UVVGJYQRPQKUFL-ORAYPTAESA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588494571 1080058105 /nfs/dbraw/zinc/05/81/05/1080058105.db2.gz UVVGJYQRPQKUFL-ORAYPTAESA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588494240 1080058933 /nfs/dbraw/zinc/05/89/33/1080058933.db2.gz QBZFUAMBEKRQOY-KZULUSFZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588494240 1080058941 /nfs/dbraw/zinc/05/89/41/1080058941.db2.gz QBZFUAMBEKRQOY-KZULUSFZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@H](CC)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588525587 1080078338 /nfs/dbraw/zinc/07/83/38/1080078338.db2.gz IVPYMXMFBBZEAW-SNVBAGLBSA-N -1 3 363.805 2.604 20 30 FFEDHM C=C[C@H](CC)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588525587 1080078343 /nfs/dbraw/zinc/07/83/43/1080078343.db2.gz IVPYMXMFBBZEAW-SNVBAGLBSA-N -1 3 363.805 2.604 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588538647 1080086344 /nfs/dbraw/zinc/08/63/44/1080086344.db2.gz UQAOXUFNFCBNLY-HUUCEWRRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588538647 1080086354 /nfs/dbraw/zinc/08/63/54/1080086354.db2.gz UQAOXUFNFCBNLY-HUUCEWRRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588545918 1080089293 /nfs/dbraw/zinc/08/92/93/1080089293.db2.gz RKIMKULUYZNPQG-QGZVFWFLSA-N -1 3 363.421 2.549 20 30 FFEDHM C=CC[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC001588545892 1080089371 /nfs/dbraw/zinc/08/93/71/1080089371.db2.gz QNYROPYIUBSZES-KBXCAEBGSA-N -1 3 362.437 2.874 20 30 FFEDHM C=CC[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC001588545892 1080089383 /nfs/dbraw/zinc/08/93/83/1080089383.db2.gz QNYROPYIUBSZES-KBXCAEBGSA-N -1 3 362.437 2.874 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001588552480 1080091799 /nfs/dbraw/zinc/09/17/99/1080091799.db2.gz XXUFOGTUODZFLJ-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001588552480 1080091808 /nfs/dbraw/zinc/09/18/08/1080091808.db2.gz XXUFOGTUODZFLJ-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC[C@@H]1CCN1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC001588563859 1080100542 /nfs/dbraw/zinc/10/05/42/1080100542.db2.gz CTZNQOOQTJWHNF-GFCCVEGCSA-N -1 3 372.498 2.786 20 30 FFEDHM C=CC[C@@H]1CCN1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC001588563859 1080100546 /nfs/dbraw/zinc/10/05/46/1080100546.db2.gz CTZNQOOQTJWHNF-GFCCVEGCSA-N -1 3 372.498 2.786 20 30 FFEDHM C=CCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001588578579 1080106622 /nfs/dbraw/zinc/10/66/22/1080106622.db2.gz BNNYYYYVRQJWQW-KRWDZBQOSA-N -1 3 363.425 2.768 20 30 FFEDHM C=CCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001588578579 1080106625 /nfs/dbraw/zinc/10/66/25/1080106625.db2.gz BNNYYYYVRQJWQW-KRWDZBQOSA-N -1 3 363.425 2.768 20 30 FFEDHM C=CCCCC(=O)N(C)CCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588581790 1080107447 /nfs/dbraw/zinc/10/74/47/1080107447.db2.gz AIBMBLLGQCSRLD-UHFFFAOYSA-N -1 3 363.853 2.532 20 30 FFEDHM C=CCCCC(=O)N(C)CCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588581790 1080107449 /nfs/dbraw/zinc/10/74/49/1080107449.db2.gz AIBMBLLGQCSRLD-UHFFFAOYSA-N -1 3 363.853 2.532 20 30 FFEDHM C=CCCCCCCCNS(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001588593307 1080115451 /nfs/dbraw/zinc/11/54/51/1080115451.db2.gz BMNWLORNVFZBFR-UHFFFAOYSA-N -1 3 363.487 2.980 20 30 FFEDHM C=CCCCCCCCNS(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588593307 1080115455 /nfs/dbraw/zinc/11/54/55/1080115455.db2.gz BMNWLORNVFZBFR-UHFFFAOYSA-N -1 3 363.487 2.980 20 30 FFEDHM C=CCCCCCNC(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588596224 1080117603 /nfs/dbraw/zinc/11/76/03/1080117603.db2.gz JRQIEUDPYLZHLB-KRWDZBQOSA-N -1 3 370.457 2.696 20 30 FFEDHM C=CCCCCCNC(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588596224 1080117604 /nfs/dbraw/zinc/11/76/04/1080117604.db2.gz JRQIEUDPYLZHLB-KRWDZBQOSA-N -1 3 370.457 2.696 20 30 FFEDHM C=CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCCC1 ZINC001588603168 1080120141 /nfs/dbraw/zinc/12/01/41/1080120141.db2.gz FRNWMMMMDKYBDL-UHFFFAOYSA-N -1 3 350.430 2.692 20 30 FFEDHM C=CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCCC1 ZINC001588603168 1080120144 /nfs/dbraw/zinc/12/01/44/1080120144.db2.gz FRNWMMMMDKYBDL-UHFFFAOYSA-N -1 3 350.430 2.692 20 30 FFEDHM C=CCCCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC=C ZINC001588601366 1080120578 /nfs/dbraw/zinc/12/05/78/1080120578.db2.gz LEJVRVKOIIHNDU-UHFFFAOYSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCCCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC=C ZINC001588601366 1080120580 /nfs/dbraw/zinc/12/05/80/1080120580.db2.gz LEJVRVKOIIHNDU-UHFFFAOYSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCN(CC(=O)NC1CCC(C)CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588628214 1080127473 /nfs/dbraw/zinc/12/74/73/1080127473.db2.gz USHZORIUXGDUSZ-UHFFFAOYSA-N -1 3 368.485 2.550 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(OC)cc1 ZINC001588640243 1080133675 /nfs/dbraw/zinc/13/36/75/1080133675.db2.gz OALUZKXWGCMASU-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(OC)cc1 ZINC001588640243 1080133682 /nfs/dbraw/zinc/13/36/82/1080133682.db2.gz OALUZKXWGCMASU-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC(C)(C)CC ZINC001588641498 1080134255 /nfs/dbraw/zinc/13/42/55/1080134255.db2.gz GJPCRCWZUWKXRC-UHFFFAOYSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCOC(C)(C)CC ZINC001588641498 1080134258 /nfs/dbraw/zinc/13/42/58/1080134258.db2.gz GJPCRCWZUWKXRC-UHFFFAOYSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2c1OCC2 ZINC001588647717 1080137644 /nfs/dbraw/zinc/13/76/44/1080137644.db2.gz CNETXBRRXSRXHW-UHFFFAOYSA-N -1 3 361.405 2.630 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2c1OCC2 ZINC001588647717 1080137649 /nfs/dbraw/zinc/13/76/49/1080137649.db2.gz CNETXBRRXSRXHW-UHFFFAOYSA-N -1 3 361.405 2.630 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2cccnc2n1 ZINC001588648403 1080137691 /nfs/dbraw/zinc/13/76/91/1080137691.db2.gz OMCAAHMBSBJHMD-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2cccnc2n1 ZINC001588648403 1080137698 /nfs/dbraw/zinc/13/76/98/1080137698.db2.gz OMCAAHMBSBJHMD-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2c[nH]ccc-2n1 ZINC001588649053 1080139354 /nfs/dbraw/zinc/13/93/54/1080139354.db2.gz YDNFFXWUPBVCLV-UHFFFAOYSA-N -1 3 359.393 2.571 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2c[nH]ccc-2n1 ZINC001588649053 1080139361 /nfs/dbraw/zinc/13/93/61/1080139361.db2.gz YDNFFXWUPBVCLV-UHFFFAOYSA-N -1 3 359.393 2.571 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001588688813 1080154952 /nfs/dbraw/zinc/15/49/52/1080154952.db2.gz ASESSYNDMBFPSR-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001588688813 1080154956 /nfs/dbraw/zinc/15/49/56/1080154956.db2.gz ASESSYNDMBFPSR-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM CC#CCCCC(=O)NC[C@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588740494 1080177242 /nfs/dbraw/zinc/17/72/42/1080177242.db2.gz PNEJIJBFWHGPOQ-ZDUSSCGKSA-N -1 3 358.421 2.506 20 30 FFEDHM CC#CCCCC(=O)NC[C@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588740494 1080177248 /nfs/dbraw/zinc/17/72/48/1080177248.db2.gz PNEJIJBFWHGPOQ-ZDUSSCGKSA-N -1 3 358.421 2.506 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776506 1080190579 /nfs/dbraw/zinc/19/05/79/1080190579.db2.gz PRNXZYBNDXYHSF-HWWQOWPSSA-N -1 3 371.514 2.880 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776506 1080190584 /nfs/dbraw/zinc/19/05/84/1080190584.db2.gz PRNXZYBNDXYHSF-HWWQOWPSSA-N -1 3 371.514 2.880 20 30 FFEDHM CC(C)(C)CN(CCC#N)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001589128407 1080377213 /nfs/dbraw/zinc/37/72/13/1080377213.db2.gz ASOLFNXTQZKZHW-UHFFFAOYSA-N -1 3 362.384 2.747 20 30 FFEDHM CC(C)(C)CN(CCC#N)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001589128407 1080377220 /nfs/dbraw/zinc/37/72/20/1080377220.db2.gz ASOLFNXTQZKZHW-UHFFFAOYSA-N -1 3 362.384 2.747 20 30 FFEDHM CC(C)(CCC#N)COC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001589273173 1080457791 /nfs/dbraw/zinc/45/77/91/1080457791.db2.gz XGWAOBYBKCYGAY-UHFFFAOYSA-N -1 3 365.397 2.539 20 30 FFEDHM CC(C)(CCC#N)COC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001589273173 1080457796 /nfs/dbraw/zinc/45/77/96/1080457796.db2.gz XGWAOBYBKCYGAY-UHFFFAOYSA-N -1 3 365.397 2.539 20 30 FFEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cccc(CC#N)c1 ZINC001589301692 1080472219 /nfs/dbraw/zinc/47/22/19/1080472219.db2.gz OYXROVMBWOTBFA-UHFFFAOYSA-N -1 3 360.421 2.684 20 30 FFEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cccc(CC#N)c1 ZINC001589301692 1080472221 /nfs/dbraw/zinc/47/22/21/1080472221.db2.gz OYXROVMBWOTBFA-UHFFFAOYSA-N -1 3 360.421 2.684 20 30 FFEDHM CC(C)C(=O)N1CCC(=NO[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589395713 1080513658 /nfs/dbraw/zinc/51/36/58/1080513658.db2.gz VKVVOAZMMGBAAF-CYBMUJFWSA-N -1 3 356.430 2.579 20 30 FFEDHM CC(C)C(=O)N1CCC(=NO[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589395713 1080513665 /nfs/dbraw/zinc/51/36/65/1080513665.db2.gz VKVVOAZMMGBAAF-CYBMUJFWSA-N -1 3 356.430 2.579 20 30 FFEDHM CC(C)[C@](C)(O)CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589427767 1080526067 /nfs/dbraw/zinc/52/60/67/1080526067.db2.gz BQELYKFQXQNZDU-LJQANCHMSA-N -1 3 369.473 2.611 20 30 FFEDHM CC(C)[C@](C)(O)CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589427767 1080526070 /nfs/dbraw/zinc/52/60/70/1080526070.db2.gz BQELYKFQXQNZDU-LJQANCHMSA-N -1 3 369.473 2.611 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589600364 1080629801 /nfs/dbraw/zinc/62/98/01/1080629801.db2.gz DEMVRIPSWZEOIE-HNNXBMFYSA-N -1 3 354.458 2.834 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589600364 1080629803 /nfs/dbraw/zinc/62/98/03/1080629803.db2.gz DEMVRIPSWZEOIE-HNNXBMFYSA-N -1 3 354.458 2.834 20 30 FFEDHM CC(C)CN(CCC#N)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001589619451 1080637451 /nfs/dbraw/zinc/63/74/51/1080637451.db2.gz UOCYTTQPPPJJTL-UHFFFAOYSA-N -1 3 350.430 2.559 20 30 FFEDHM CC(C)CN(CCC#N)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001589619451 1080637458 /nfs/dbraw/zinc/63/74/58/1080637458.db2.gz UOCYTTQPPPJJTL-UHFFFAOYSA-N -1 3 350.430 2.559 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccsc2C#N)cc1-c1nnn[n-]1 ZINC001589757926 1080711156 /nfs/dbraw/zinc/71/11/56/1080711156.db2.gz QEXNTTNMABWSPK-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccsc2C#N)cc1-c1nn[n-]n1 ZINC001589757926 1080711159 /nfs/dbraw/zinc/71/11/59/1080711159.db2.gz QEXNTTNMABWSPK-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM C[C@H](C[C@H](C)NC(=O)C#CC(C)(C)C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001589800276 1080756346 /nfs/dbraw/zinc/75/63/46/1080756346.db2.gz XORVEXXAOWJFBQ-OLZOCXBDSA-N -1 3 372.448 2.751 20 30 FFEDHM C[C@H](C[C@H](C)NC(=O)C#CC(C)(C)C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001589800276 1080756356 /nfs/dbraw/zinc/75/63/56/1080756356.db2.gz XORVEXXAOWJFBQ-OLZOCXBDSA-N -1 3 372.448 2.751 20 30 FFEDHM C[C@H](CCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001589821151 1080775281 /nfs/dbraw/zinc/77/52/81/1080775281.db2.gz WWYQRWRQWFYZOV-BEFAXECRSA-N -1 3 374.448 2.859 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC001589893456 1080839716 /nfs/dbraw/zinc/83/97/16/1080839716.db2.gz WLCKMRQLAAUXBQ-CJNGLKHVSA-N -1 3 352.442 2.586 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC001589893456 1080839729 /nfs/dbraw/zinc/83/97/29/1080839729.db2.gz WLCKMRQLAAUXBQ-CJNGLKHVSA-N -1 3 352.442 2.586 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(C#N)cc1F ZINC001589895186 1080841273 /nfs/dbraw/zinc/84/12/73/1080841273.db2.gz PVGVJGKQKHAWHQ-LLVKDONJSA-N -1 3 351.341 2.662 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1F ZINC001589895186 1080841280 /nfs/dbraw/zinc/84/12/80/1080841280.db2.gz PVGVJGKQKHAWHQ-LLVKDONJSA-N -1 3 351.341 2.662 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC001589897565 1080844313 /nfs/dbraw/zinc/84/43/13/1080844313.db2.gz LGAJOFIUJNCLFL-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC001589897565 1080844317 /nfs/dbraw/zinc/84/43/17/1080844317.db2.gz LGAJOFIUJNCLFL-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC001589915575 1080857563 /nfs/dbraw/zinc/85/75/63/1080857563.db2.gz KTEXJPFPIDTHRS-VCBZYWHSSA-N -1 3 374.448 2.857 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccco2)c(C(F)(F)F)c1 ZINC000274520238 255890100 /nfs/dbraw/zinc/89/01/00/255890100.db2.gz XDYOIPKHUKVDEL-GFCCVEGCSA-N -1 3 374.340 2.572 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(CCOCc2ccccc2)CC1 ZINC000277242751 256175505 /nfs/dbraw/zinc/17/55/05/256175505.db2.gz UWEFDMKSKGRXFL-UHFFFAOYSA-N -1 3 371.462 2.619 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000287425184 257088604 /nfs/dbraw/zinc/08/86/04/257088604.db2.gz MKUGWVYVWLSRNU-NSHDSACASA-N -1 3 364.414 2.999 20 30 FFEDHM N#Cc1c(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cn2ccccc12 ZINC000289401335 257279223 /nfs/dbraw/zinc/27/92/23/257279223.db2.gz FUJPEBXWDKZUAP-ZDUSSCGKSA-N -1 3 364.371 2.701 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)CCn2c(C)csc2=O)n[n-]1 ZINC000052778851 506249339 /nfs/dbraw/zinc/24/93/39/506249339.db2.gz DHVAIKJRCKSTLZ-UHFFFAOYSA-N -1 3 359.411 2.690 20 30 FFEDHM COc1cccc(CCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000066435836 506516526 /nfs/dbraw/zinc/51/65/26/506516526.db2.gz QJXDQEINLXIGGP-UHFFFAOYSA-N -1 3 367.449 2.554 20 30 FFEDHM CCc1ccc([O-])c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000067179927 506785520 /nfs/dbraw/zinc/78/55/20/506785520.db2.gz QFFRUMJELPYPMJ-UHFFFAOYSA-N -1 3 350.422 2.620 20 30 FFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055587885 506789586 /nfs/dbraw/zinc/78/95/86/506789586.db2.gz KCIICANQGPMJSN-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2)c(C(F)(F)F)c1 ZINC000055966753 506898866 /nfs/dbraw/zinc/89/88/66/506898866.db2.gz ASHAYRWZUQDAFG-UHFFFAOYSA-N -1 3 370.352 2.934 20 30 FFEDHM COC(=O)c1cc(C)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000046187069 507095279 /nfs/dbraw/zinc/09/52/79/507095279.db2.gz YHLDUIXCFHOPIC-UHFFFAOYSA-N -1 3 367.405 2.530 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc2cccnc21 ZINC000068744720 507313158 /nfs/dbraw/zinc/31/31/58/507313158.db2.gz LLNPVRVUVRKFPB-UHFFFAOYSA-N -1 3 360.417 2.661 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3)CCCCCC2)no1 ZINC000024689019 507430719 /nfs/dbraw/zinc/43/07/19/507430719.db2.gz OUDQPNHJXWBSFR-UHFFFAOYSA-N -1 3 360.439 2.778 20 30 FFEDHM COc1cccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1[O-] ZINC000078359730 507864496 /nfs/dbraw/zinc/86/44/96/507864496.db2.gz DYHSUSGGSLDZES-UHFFFAOYSA-N -1 3 351.406 2.625 20 30 FFEDHM COc1ccc([O-])c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000078359715 507864723 /nfs/dbraw/zinc/86/47/23/507864723.db2.gz UDBYGFZGHNNGCQ-UHFFFAOYSA-N -1 3 351.406 2.625 20 30 FFEDHM COc1ccc([O-])c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000078493134 507876725 /nfs/dbraw/zinc/87/67/25/507876725.db2.gz NBUKCDIPDGJLSF-UHFFFAOYSA-N -1 3 365.433 2.621 20 30 FFEDHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc(-c3csc(C)n3)c2)n1 ZINC000080332991 508066646 /nfs/dbraw/zinc/06/66/46/508066646.db2.gz HOEURGYXNWNABN-UHFFFAOYSA-N -1 3 357.395 2.588 20 30 FFEDHM COC(=O)Cc1nnc(NC(=O)c2cccc(-c3csc(C)n3)c2)[n-]1 ZINC000080332991 508066648 /nfs/dbraw/zinc/06/66/48/508066648.db2.gz HOEURGYXNWNABN-UHFFFAOYSA-N -1 3 357.395 2.588 20 30 FFEDHM COC(=O)Cc1nc(NC(=O)c2cccc(-c3csc(C)n3)c2)n[n-]1 ZINC000080332991 508066650 /nfs/dbraw/zinc/06/66/50/508066650.db2.gz HOEURGYXNWNABN-UHFFFAOYSA-N -1 3 357.395 2.588 20 30 FFEDHM O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCN1CC(F)(F)F ZINC000111998063 508142856 /nfs/dbraw/zinc/14/28/56/508142856.db2.gz SEJNINJKXPPSNU-UTUJXRGNSA-N -1 3 365.149 2.737 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112630159 508203378 /nfs/dbraw/zinc/20/33/78/508203378.db2.gz GXCSROQKZVYMRR-JTQLQIEISA-N -1 3 362.227 2.912 20 30 FFEDHM COCCOCc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1F ZINC000076822379 508255501 /nfs/dbraw/zinc/25/55/01/508255501.db2.gz SBNQRXGDNKZQGV-INIZCTEOSA-N -1 3 357.385 2.886 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000076946990 508265724 /nfs/dbraw/zinc/26/57/24/508265724.db2.gz HULLEPSRFXTYKE-NSHDSACASA-N -1 3 353.304 2.737 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000076946990 508265726 /nfs/dbraw/zinc/26/57/26/508265726.db2.gz HULLEPSRFXTYKE-NSHDSACASA-N -1 3 353.304 2.737 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)c2nn(-c3ccccc3CC)cc2[O-])CC1 ZINC000084389686 508277548 /nfs/dbraw/zinc/27/75/48/508277548.db2.gz JKYFNNCCGXZUOW-UHFFFAOYSA-N -1 3 368.481 2.911 20 30 FFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)cc1Cl ZINC000121737018 508406993 /nfs/dbraw/zinc/40/69/93/508406993.db2.gz DEBLGMLNZUYUJJ-CYBMUJFWSA-N -1 3 361.826 2.654 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2cccc(F)c2)CC1 ZINC000156509780 508431454 /nfs/dbraw/zinc/43/14/54/508431454.db2.gz PYXCUJGINRHHQT-UHFFFAOYSA-N -1 3 353.397 2.741 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2)C1 ZINC000156716462 508467408 /nfs/dbraw/zinc/46/74/08/508467408.db2.gz ITGYTDPDRUMXMN-CQSZACIVSA-N -1 3 359.426 2.502 20 30 FFEDHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156735301 508469597 /nfs/dbraw/zinc/46/95/97/508469597.db2.gz AISGEADZMKGKPR-JTQLQIEISA-N -1 3 370.352 2.721 20 30 FFEDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000122467562 508540116 /nfs/dbraw/zinc/54/01/16/508540116.db2.gz FFINQFOZZFPGQI-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000157381615 508559220 /nfs/dbraw/zinc/55/92/20/508559220.db2.gz YGPGSMCKNXLFFW-UHFFFAOYSA-N -1 3 355.872 2.806 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1cccc(F)c1 ZINC000122606811 508561735 /nfs/dbraw/zinc/56/17/35/508561735.db2.gz ZANJTNVRPMHKEI-NSHDSACASA-N -1 3 352.362 2.582 20 30 FFEDHM O=C(c1ccccc1[O-])N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000135196170 508590947 /nfs/dbraw/zinc/59/09/47/508590947.db2.gz USKZOZOKZKIPJZ-UHFFFAOYSA-N -1 3 354.837 2.855 20 30 FFEDHM N#Cc1cccnc1N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000122955322 508613516 /nfs/dbraw/zinc/61/35/16/508613516.db2.gz VMHZSMMWLKDKLJ-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM CC[C@H](c1ccncc1)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000128665469 508626206 /nfs/dbraw/zinc/62/62/06/508626206.db2.gz IVINVZRCYXFGSJ-GOSISDBHSA-N -1 3 352.438 2.801 20 30 FFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(F)c1 ZINC000128729103 508635494 /nfs/dbraw/zinc/63/54/94/508635494.db2.gz DKLZXSDAQYOIST-UHFFFAOYSA-N -1 3 359.835 2.803 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000136850284 508720885 /nfs/dbraw/zinc/72/08/85/508720885.db2.gz GRBWZDYZWDXVGL-UHFFFAOYSA-N -1 3 364.405 2.562 20 30 FFEDHM N#CC(=C([O-])c1ccnc(OCC(F)F)c1)c1nnc2n1CCCCC2 ZINC000137091011 508736658 /nfs/dbraw/zinc/73/66/58/508736658.db2.gz BQSQLUVRBQLRFO-LBPRGKRZSA-N -1 3 361.352 2.533 20 30 FFEDHM COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccc1 ZINC000124434849 508832020 /nfs/dbraw/zinc/83/20/20/508832020.db2.gz BQXVOLGCKOKLKA-RDTXWAMCSA-N -1 3 372.446 2.695 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000151097866 508956112 /nfs/dbraw/zinc/95/61/12/508956112.db2.gz LFPYRPYWIRWQQZ-HNNXBMFYSA-N -1 3 359.426 2.502 20 30 FFEDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000125309151 508963221 /nfs/dbraw/zinc/96/32/21/508963221.db2.gz JQOSGMDVHNFABC-CYBMUJFWSA-N -1 3 356.856 2.594 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1cc2ccccc2o1 ZINC000120416727 508991541 /nfs/dbraw/zinc/99/15/41/508991541.db2.gz VNAHLUKQMPIOIB-UHFFFAOYSA-N -1 3 371.374 2.734 20 30 FFEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000151823112 509090026 /nfs/dbraw/zinc/09/00/26/509090026.db2.gz VNECGICRYZBNBW-UHFFFAOYSA-N -1 3 362.282 2.507 20 30 FFEDHM COc1cccc(Cl)c1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000191870421 509221663 /nfs/dbraw/zinc/22/16/63/509221663.db2.gz DOTJJCPKVNVWNQ-UHFFFAOYSA-N -1 3 373.840 2.774 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC#N)Cc1ccccn1 ZINC000264129525 509344743 /nfs/dbraw/zinc/34/47/43/509344743.db2.gz YKDDGPBFGOAWQB-UHFFFAOYSA-N -1 3 363.421 2.546 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163320940 509362280 /nfs/dbraw/zinc/36/22/80/509362280.db2.gz DBILTZAXYLVZQH-DLBZAZTESA-N -1 3 360.410 2.896 20 30 FFEDHM C=CCCS(=O)(=O)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000163608777 509399132 /nfs/dbraw/zinc/39/91/32/509399132.db2.gz VRJNLNHFCIVBMD-AWEZNQCLSA-N -1 3 369.487 2.966 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000186343817 509659823 /nfs/dbraw/zinc/65/98/23/509659823.db2.gz TTXCFMFTAOEBFK-ZDUSSCGKSA-N -1 3 353.426 2.602 20 30 FFEDHM CCCCO[C@@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000176872069 509736538 /nfs/dbraw/zinc/73/65/38/509736538.db2.gz KRRWAQSYDOGHPR-ZWKOTPCHSA-N -1 3 373.497 2.896 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)n1 ZINC000193267599 509845287 /nfs/dbraw/zinc/84/52/87/509845287.db2.gz QOLWJROQWCVFTQ-UMVBOHGHSA-N -1 3 356.451 2.950 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000174043572 509922326 /nfs/dbraw/zinc/92/23/26/509922326.db2.gz MFWNDEUIZOQYDN-LLVKDONJSA-N -1 3 372.381 2.787 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cn1 ZINC000190076066 509924519 /nfs/dbraw/zinc/92/45/19/509924519.db2.gz WQGSIRCVIFJOKA-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM Cc1csc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000177627566 510168048 /nfs/dbraw/zinc/16/80/48/510168048.db2.gz YHWZYPXQGLVCAS-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM Cc1nc(C)c(CCC(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c(=O)[n-]1 ZINC000187302038 510183235 /nfs/dbraw/zinc/18/32/35/510183235.db2.gz GFCNXMAQVMOCCV-UHFFFAOYSA-N -1 3 358.486 2.934 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)c([N+](=O)[O-])c1 ZINC000174755889 510294219 /nfs/dbraw/zinc/29/42/19/510294219.db2.gz MZTBIAVPVUYOLC-UHFFFAOYSA-N -1 3 357.269 2.685 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCO[C@H]1CC(C)C ZINC000184814415 510527604 /nfs/dbraw/zinc/52/76/04/510527604.db2.gz SZNJSSTUPLUOCY-MSOLQXFVSA-N -1 3 359.470 2.506 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)cc1OC ZINC000182007639 510704368 /nfs/dbraw/zinc/70/43/68/510704368.db2.gz FSSHPKLORHNZEF-ZBEGNZNMSA-N -1 3 356.419 2.594 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182011411 510707163 /nfs/dbraw/zinc/70/71/63/510707163.db2.gz YBYZOXFMPLLGLV-QMTHXVAHSA-N -1 3 357.819 2.999 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCCO2 ZINC000195417304 510819162 /nfs/dbraw/zinc/81/91/62/510819162.db2.gz SQHKOKUAOYUUCY-UHFFFAOYSA-N -1 3 351.406 2.760 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(OCCN(C)C)c1 ZINC000172675274 510842516 /nfs/dbraw/zinc/84/25/16/510842516.db2.gz QVOLNFYJJNFTDR-UHFFFAOYSA-N -1 3 373.478 2.916 20 30 FFEDHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000329932868 510881469 /nfs/dbraw/zinc/88/14/69/510881469.db2.gz IYBVSSBKVLIHEM-LLVKDONJSA-N -1 3 364.446 2.805 20 30 FFEDHM C=CCOc1cccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c1 ZINC000277257474 510958224 /nfs/dbraw/zinc/95/82/24/510958224.db2.gz KIAJUFIZPTWSHY-CQSZACIVSA-N -1 3 369.343 2.710 20 30 FFEDHM Cc1ccc([O-])c(CNc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 ZINC000288519011 511078503 /nfs/dbraw/zinc/07/85/03/511078503.db2.gz JIYKBSXJVMDXLK-DYTRJAOYSA-N -1 3 374.466 2.521 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)CC3(CC#N)CC3)CCCCCC2)no1 ZINC000333147784 511181063 /nfs/dbraw/zinc/18/10/63/511181063.db2.gz AESBLTJRNUWTST-UHFFFAOYSA-N -1 3 352.460 2.541 20 30 FFEDHM C#CCn1ccc(CN(CC)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000279774615 511210355 /nfs/dbraw/zinc/21/03/55/511210355.db2.gz VTRDHTFLRVRRCI-UHFFFAOYSA-N -1 3 366.396 2.880 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccc(C)o1 ZINC000295253647 511338066 /nfs/dbraw/zinc/33/80/66/511338066.db2.gz ZLQMBIRALMZOHN-INIZCTEOSA-N -1 3 366.414 2.796 20 30 FFEDHM CCCc1c(NC([O-])=NOC[C@H]2CCOC2)cnn1-c1cccc(C#N)c1 ZINC000365290522 511362860 /nfs/dbraw/zinc/36/28/60/511362860.db2.gz MBYRETHRDUMEPG-HNNXBMFYSA-N -1 3 369.425 2.786 20 30 FFEDHM CCCc1c(NC(=O)[N-]OC[C@H]2CCOC2)cnn1-c1cccc(C#N)c1 ZINC000365290522 511362864 /nfs/dbraw/zinc/36/28/64/511362864.db2.gz MBYRETHRDUMEPG-HNNXBMFYSA-N -1 3 369.425 2.786 20 30 FFEDHM CCN(CCC#N)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000272588018 511500026 /nfs/dbraw/zinc/50/00/26/511500026.db2.gz HOLKJPYKSXCAQQ-UHFFFAOYSA-N -1 3 372.450 2.714 20 30 FFEDHM COc1ccc(C2(C/N=C/c3ccc(O)c([O-])c3O)CCOCC2)cc1 ZINC000299165888 511536999 /nfs/dbraw/zinc/53/69/99/511536999.db2.gz OMFPUUAXGLUQRG-CIAFOILYSA-N -1 3 357.406 2.979 20 30 FFEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C1CCC1)[n+]1cc([O-])ccc1F ZINC000292400153 511583177 /nfs/dbraw/zinc/58/31/77/511583177.db2.gz XCSCBBKZYNIVQH-UHFFFAOYSA-O -1 3 364.422 2.505 20 30 FFEDHM C=CCN(CC(F)(F)F)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299364073 511607773 /nfs/dbraw/zinc/60/77/73/511607773.db2.gz FFDWHLHFOMUNLC-UHFFFAOYSA-N -1 3 366.343 2.672 20 30 FFEDHM CC(F)(F)CCNC(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000299411026 511626340 /nfs/dbraw/zinc/62/63/40/511626340.db2.gz SYSBVCPQATUQTL-JTQLQIEISA-N -1 3 374.256 2.846 20 30 FFEDHM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)cc2nn[n-]c21 ZINC000328657729 511911194 /nfs/dbraw/zinc/91/11/94/511911194.db2.gz PRFVHXOUKXEEKS-ZDUSSCGKSA-N -1 3 359.405 2.583 20 30 FFEDHM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)cc2[n-]nnc21 ZINC000328657729 511911207 /nfs/dbraw/zinc/91/12/07/511911207.db2.gz PRFVHXOUKXEEKS-ZDUSSCGKSA-N -1 3 359.405 2.583 20 30 FFEDHM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)cc2n[n-]nc21 ZINC000328657729 511911212 /nfs/dbraw/zinc/91/12/12/511911212.db2.gz PRFVHXOUKXEEKS-ZDUSSCGKSA-N -1 3 359.405 2.583 20 30 FFEDHM CN(C)c1nc(C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc(=O)[n-]1 ZINC000328791367 511932145 /nfs/dbraw/zinc/93/21/45/511932145.db2.gz ZHASTBGPCHSABG-CQSZACIVSA-N -1 3 370.457 2.942 20 30 FFEDHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCCC23CCCC3)cn1 ZINC000329623864 512078412 /nfs/dbraw/zinc/07/84/12/512078412.db2.gz NZHJAFUGDBIBTN-AWEZNQCLSA-N -1 3 351.472 2.797 20 30 FFEDHM CC[C@@H](NC(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(F)F ZINC000411567902 512694225 /nfs/dbraw/zinc/69/42/25/512694225.db2.gz KBGVUSBWPUZKRF-SCZZXKLOSA-N -1 3 374.256 2.844 20 30 FFEDHM CC[C@@H](NC(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(F)F ZINC000411567901 512694500 /nfs/dbraw/zinc/69/45/00/512694500.db2.gz KBGVUSBWPUZKRF-PSASIEDQSA-N -1 3 374.256 2.844 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2Cc2ccccc2)s1 ZINC000390783350 512909877 /nfs/dbraw/zinc/90/98/77/512909877.db2.gz LVIRAPHMWZMYJW-OAHLLOKOSA-N -1 3 361.492 2.563 20 30 FFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 ZINC000440653481 513371977 /nfs/dbraw/zinc/37/19/77/513371977.db2.gz VUZJNWXSVSMUCA-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)nn1 ZINC000415733227 513402566 /nfs/dbraw/zinc/40/25/66/513402566.db2.gz IHEKUCJOPJLGJZ-WDEREUQCSA-N -1 3 359.455 2.796 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429632617 513427278 /nfs/dbraw/zinc/42/72/78/513427278.db2.gz FVHULTRLIFIRII-UHFFFAOYSA-N -1 3 350.369 2.706 20 30 FFEDHM COc1ccc(Cl)cc1C(C)(C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000425214165 513456835 /nfs/dbraw/zinc/45/68/35/513456835.db2.gz ZZFIOIPDAWKMHN-UHFFFAOYSA-N -1 3 365.842 2.829 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429874694 513486641 /nfs/dbraw/zinc/48/66/41/513486641.db2.gz XIJOGJSQMMTWFP-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435431630 513583221 /nfs/dbraw/zinc/58/32/21/513583221.db2.gz JPXUXOLXVSJJJT-AWEZNQCLSA-N -1 3 364.448 2.593 20 30 FFEDHM C[C@@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1 ZINC000435433615 513584093 /nfs/dbraw/zinc/58/40/93/513584093.db2.gz OMEIRPVUVOWSSK-DYVFJYSZSA-N -1 3 364.492 2.528 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)s1 ZINC000435434404 513586301 /nfs/dbraw/zinc/58/63/01/513586301.db2.gz XQZYASHFERNKBP-CYBMUJFWSA-N -1 3 352.412 2.951 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC000435437699 513587581 /nfs/dbraw/zinc/58/75/81/513587581.db2.gz LECHNRUYOSHPSO-NVXWUHKLSA-N -1 3 351.468 2.534 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)s1 ZINC000435437658 513588224 /nfs/dbraw/zinc/58/82/24/513588224.db2.gz KYIIIAHTVOWCRN-GFCCVEGCSA-N -1 3 367.883 2.830 20 30 FFEDHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000447938584 513631183 /nfs/dbraw/zinc/63/11/83/513631183.db2.gz BCXPRWZXLLGNHB-OAHLLOKOSA-N -1 3 355.891 2.610 20 30 FFEDHM COC1([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000416610711 513867252 /nfs/dbraw/zinc/86/72/52/513867252.db2.gz AGSBZLONHBQOGO-JTQLQIEISA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1[O-] ZINC000443129399 513881058 /nfs/dbraw/zinc/88/10/58/513881058.db2.gz HAGXHCBYLDINQC-UHFFFAOYSA-N -1 3 360.417 2.552 20 30 FFEDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443353268 513947596 /nfs/dbraw/zinc/94/75/96/513947596.db2.gz RNDPHDIJKMJCJD-MRXNPFEDSA-N -1 3 364.854 2.748 20 30 FFEDHM CO[C@](C)(C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000451826854 514008095 /nfs/dbraw/zinc/00/80/95/514008095.db2.gz POEISGIXRICSCE-QGZVFWFLSA-N -1 3 350.484 2.942 20 30 FFEDHM CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000451852395 514021505 /nfs/dbraw/zinc/02/15/05/514021505.db2.gz KDDPBZNEIWQDAT-BBRMVZONSA-N -1 3 358.891 2.779 20 30 FFEDHM CC(C)[C@H](CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000451861141 514027669 /nfs/dbraw/zinc/02/76/69/514027669.db2.gz UUZUPUMWQZZNEZ-BBRMVZONSA-N -1 3 358.891 2.779 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000416962348 514069412 /nfs/dbraw/zinc/06/94/12/514069412.db2.gz TXZJVRNCQACJAU-AWEZNQCLSA-N -1 3 362.411 2.570 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)ccc1OCCN(C)C ZINC000414383602 514080982 /nfs/dbraw/zinc/08/09/82/514080982.db2.gz ALJUDGCNAJPAER-UHFFFAOYSA-N -1 3 365.480 2.669 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000452030750 514146177 /nfs/dbraw/zinc/14/61/77/514146177.db2.gz OVVLXSFJNNKWQR-JTQLQIEISA-N -1 3 368.680 2.708 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000444086024 514117655 /nfs/dbraw/zinc/11/76/55/514117655.db2.gz QDOOBVNZZUWSMP-UHFFFAOYSA-N -1 3 366.380 2.773 20 30 FFEDHM N#Cc1cnc(C(=O)[N-]c2ccccc2SCCC(N)=O)c(Cl)c1 ZINC000432489281 514207546 /nfs/dbraw/zinc/20/75/46/514207546.db2.gz OQHZTHCFZUZUCR-UHFFFAOYSA-N -1 3 360.826 2.826 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1OC(F)F ZINC000428232047 514427202 /nfs/dbraw/zinc/42/72/02/514427202.db2.gz YBECJVZIFDAMOH-LBPRGKRZSA-N -1 3 367.377 2.984 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCc1cccc(C(F)(F)F)c1 ZINC000428232576 514427806 /nfs/dbraw/zinc/42/78/06/514427806.db2.gz UYOXXTGDIHHXMZ-UHFFFAOYSA-N -1 3 369.368 2.883 20 30 FFEDHM C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428376977 514461107 /nfs/dbraw/zinc/46/11/07/514461107.db2.gz WPGDWLBYHXYASX-NSHDSACASA-N -1 3 369.368 2.882 20 30 FFEDHM C=C(C)CCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452724995 514474882 /nfs/dbraw/zinc/47/48/82/514474882.db2.gz RMBRBDULBZYIJG-UHFFFAOYSA-N -1 3 365.282 2.744 20 30 FFEDHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000445741986 514513466 /nfs/dbraw/zinc/51/34/66/514513466.db2.gz RWUXGVFTXXKKLL-MRXNPFEDSA-N -1 3 356.875 2.821 20 30 FFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000508086913 514662970 /nfs/dbraw/zinc/66/29/70/514662970.db2.gz UKOADCGZCPIXHI-ZDUSSCGKSA-N -1 3 350.868 2.934 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000466548135 514686526 /nfs/dbraw/zinc/68/65/26/514686526.db2.gz LSZPDRAZASVWDM-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cn(C)nc1C(F)(F)F ZINC000508227802 514714276 /nfs/dbraw/zinc/71/42/76/514714276.db2.gz WPNHFNBSVRERJL-UHFFFAOYSA-N -1 3 367.331 2.599 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000461792121 514740902 /nfs/dbraw/zinc/74/09/02/514740902.db2.gz RURONDDXOMUEQK-CYBMUJFWSA-N -1 3 356.875 2.679 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c(Cl)c1 ZINC000461798712 514744302 /nfs/dbraw/zinc/74/43/02/514744302.db2.gz WKJJLZKJZIBQRA-AWEZNQCLSA-N -1 3 356.875 2.679 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(CC)CCC#N)nc(=O)c2c1C ZINC000471177875 514785121 /nfs/dbraw/zinc/78/51/21/514785121.db2.gz SHMUQTZPBCGPAC-LLVKDONJSA-N -1 3 362.455 2.766 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000466881335 514812106 /nfs/dbraw/zinc/81/21/06/514812106.db2.gz FZMUETAUYVTJMX-GFCCVEGCSA-N -1 3 350.362 2.526 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(CC(C)C)nc1 ZINC000471436136 514888501 /nfs/dbraw/zinc/88/85/01/514888501.db2.gz JZHVVVPFIRZFFI-UHFFFAOYSA-N -1 3 353.426 2.836 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cc1C#N ZINC000489808554 514982725 /nfs/dbraw/zinc/98/27/25/514982725.db2.gz UHICPYPUFBTFKI-AWEZNQCLSA-N -1 3 373.331 2.825 20 30 FFEDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503460121 515042161 /nfs/dbraw/zinc/04/21/61/515042161.db2.gz PYVUUAXFXVMFKO-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cn2c1 ZINC000503502308 515058128 /nfs/dbraw/zinc/05/81/28/515058128.db2.gz DYYNNOHIDGXVNO-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM N#Cc1cccc(F)c1CC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000498879856 515099363 /nfs/dbraw/zinc/09/93/63/515099363.db2.gz INAJNSIGCGMERL-UHFFFAOYSA-N -1 3 357.295 2.942 20 30 FFEDHM N#Cc1cccc(F)c1CC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000498879856 515099373 /nfs/dbraw/zinc/09/93/73/515099373.db2.gz INAJNSIGCGMERL-UHFFFAOYSA-N -1 3 357.295 2.942 20 30 FFEDHM N#Cc1cccc(F)c1CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000498879856 515099383 /nfs/dbraw/zinc/09/93/83/515099383.db2.gz INAJNSIGCGMERL-UHFFFAOYSA-N -1 3 357.295 2.942 20 30 FFEDHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCC1 ZINC000503790557 515143596 /nfs/dbraw/zinc/14/35/96/515143596.db2.gz LYSDGWKOLGXEKV-LBPRGKRZSA-N -1 3 356.875 2.679 20 30 FFEDHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000490338585 515179304 /nfs/dbraw/zinc/17/93/04/515179304.db2.gz XUZVJYFTJUTUDH-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM N#CCCCCS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000481461834 515334966 /nfs/dbraw/zinc/33/49/66/515334966.db2.gz BQJHJIXMHFONCG-LBPRGKRZSA-N -1 3 351.255 2.640 20 30 FFEDHM COCc1cc(C(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)no1 ZINC000463120078 515376013 /nfs/dbraw/zinc/37/60/13/515376013.db2.gz SZUXTMZGVHSESL-UHFFFAOYSA-N -1 3 354.391 2.992 20 30 FFEDHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000499742192 515436049 /nfs/dbraw/zinc/43/60/49/515436049.db2.gz LYRRXFNHTPWYMQ-UHFFFAOYSA-N -1 3 362.426 2.971 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)nc(C)n1 ZINC000505306281 515501782 /nfs/dbraw/zinc/50/17/82/515501782.db2.gz SJAAIBKPSZNVMK-CPUCHLNUSA-N -1 3 365.437 2.592 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-c4ncn(C)n4)cc3)nc1-2 ZINC000505997489 515745256 /nfs/dbraw/zinc/74/52/56/515745256.db2.gz NKLIKEMSLZHIHV-AWEZNQCLSA-N -1 3 357.377 2.552 20 30 FFEDHM Cc1cccn2c1ncc(C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1)c2=O ZINC000464460344 515835290 /nfs/dbraw/zinc/83/52/90/515835290.db2.gz KCWFVWKWFDQUTM-GFCCVEGCSA-N -1 3 372.306 2.907 20 30 FFEDHM CN(CCC#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469572314 515872622 /nfs/dbraw/zinc/87/26/22/515872622.db2.gz HSHXEUCMVSTELJ-UHFFFAOYSA-N -1 3 368.618 2.930 20 30 FFEDHM CN(CCC#N)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469572314 515872630 /nfs/dbraw/zinc/87/26/30/515872630.db2.gz HSHXEUCMVSTELJ-UHFFFAOYSA-N -1 3 368.618 2.930 20 30 FFEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000487501283 515883700 /nfs/dbraw/zinc/88/37/00/515883700.db2.gz LEPIJAYXZGHZNL-KRWDZBQOSA-N -1 3 372.450 2.618 20 30 FFEDHM C=CCC1(NC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CCCCC1 ZINC000455062069 515931103 /nfs/dbraw/zinc/93/11/03/515931103.db2.gz QYCWGUTUWKBIBW-MRXNPFEDSA-N -1 3 370.453 2.838 20 30 FFEDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(C)o1 ZINC000501032854 515944806 /nfs/dbraw/zinc/94/48/06/515944806.db2.gz FBSHMEQDSXGEKB-UHFFFAOYSA-N -1 3 373.356 2.703 20 30 FFEDHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000478761648 515953778 /nfs/dbraw/zinc/95/37/78/515953778.db2.gz NITPZVUKKYWBNE-MRXNPFEDSA-N -1 3 372.874 2.858 20 30 FFEDHM C[C@@H](CC#N)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000512078673 516142083 /nfs/dbraw/zinc/14/20/83/516142083.db2.gz VABBLJUFPZRYTF-LBPRGKRZSA-N -1 3 369.512 2.781 20 30 FFEDHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000535455022 516361559 /nfs/dbraw/zinc/36/15/59/516361559.db2.gz RJNVXWDDJRGOMM-CZUORRHYSA-N -1 3 370.858 2.612 20 30 FFEDHM CCn1cc(S(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)nc1C ZINC000540001181 516395416 /nfs/dbraw/zinc/39/54/16/516395416.db2.gz UZSIZPBEEZRQNN-CYBMUJFWSA-N -1 3 372.372 2.773 20 30 FFEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523490011 516486329 /nfs/dbraw/zinc/48/63/29/516486329.db2.gz LODRMOFLFUWDCL-LBPRGKRZSA-N -1 3 369.343 2.512 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)s1 ZINC000528558873 516530790 /nfs/dbraw/zinc/53/07/90/516530790.db2.gz SMZFMIXTGXXSNO-BYCMXARLSA-N -1 3 350.852 2.890 20 30 FFEDHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)N2CCCC2)cc1 ZINC000561506256 516622183 /nfs/dbraw/zinc/62/21/83/516622183.db2.gz WMPIHHAKDJFKFQ-KRWDZBQOSA-N -1 3 359.451 2.575 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000536247688 516695731 /nfs/dbraw/zinc/69/57/31/516695731.db2.gz FAEFDVMUXCBPBA-LJQANCHMSA-N -1 3 350.422 2.871 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(CC2CC2)nc1 ZINC000551679168 516816233 /nfs/dbraw/zinc/81/62/33/516816233.db2.gz LRCPRNDUHZKYOH-UHFFFAOYSA-N -1 3 351.410 2.590 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000562239535 516976566 /nfs/dbraw/zinc/97/65/66/516976566.db2.gz DQMDWGORAWJRHG-BZNIZROVSA-N -1 3 372.874 2.724 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(Cl)c(C#N)c2)ccc1F ZINC000541758913 517201157 /nfs/dbraw/zinc/20/11/57/517201157.db2.gz VVRMHZBHNPTRNF-UHFFFAOYSA-N -1 3 367.789 2.975 20 30 FFEDHM Cc1nc(C)c(CC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(=O)[n-]1 ZINC000520150004 517282841 /nfs/dbraw/zinc/28/28/41/517282841.db2.gz BCGUAGPHUOTJDM-UHFFFAOYSA-N -1 3 352.438 2.898 20 30 FFEDHM COC(=O)c1cc(C)nc2nc(SCc3ccccc3C#N)[n-]c(=O)c21 ZINC000520561148 517435284 /nfs/dbraw/zinc/43/52/84/517435284.db2.gz AIIJMBHRQYLVNI-UHFFFAOYSA-N -1 3 366.402 2.989 20 30 FFEDHM COCc1ccc([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)cc1C#N ZINC000530146175 517590391 /nfs/dbraw/zinc/59/03/91/517590391.db2.gz WOQOWFVPVODFSD-LJQANCHMSA-N -1 3 374.462 2.704 20 30 FFEDHM Cc1csc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1C#N ZINC000521266494 517672437 /nfs/dbraw/zinc/67/24/37/517672437.db2.gz CKBHAEBKJMJGJE-UHFFFAOYSA-N -1 3 370.434 2.624 20 30 FFEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000538672274 517714944 /nfs/dbraw/zinc/71/49/44/517714944.db2.gz BFCMAYPKINPHAX-HNNXBMFYSA-N -1 3 362.389 2.592 20 30 FFEDHM CC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nc1C ZINC000553464349 517726744 /nfs/dbraw/zinc/72/67/44/517726744.db2.gz HRBSPIDENYBYFK-UHFFFAOYSA-N -1 3 363.826 2.596 20 30 FFEDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)C1 ZINC000563316262 517817219 /nfs/dbraw/zinc/81/72/19/517817219.db2.gz VAFGZJVGNOOJRM-PHIMTYICSA-N -1 3 359.398 2.794 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccnc(C)c2Br)ccc1C#N ZINC000566776801 518204233 /nfs/dbraw/zinc/20/42/33/518204233.db2.gz BAVRIUBNIFYMQN-UHFFFAOYSA-N -1 3 366.240 2.555 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(F)F)cn1 ZINC000572791003 518361871 /nfs/dbraw/zinc/36/18/71/518361871.db2.gz ZYMNIVMKMDTQJQ-UHFFFAOYSA-N -1 3 362.336 2.843 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000581885601 518486170 /nfs/dbraw/zinc/48/61/70/518486170.db2.gz FQOAHLRUSOQGRT-YJBOKZPZSA-N -1 3 357.454 2.626 20 30 FFEDHM C[C@@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1F ZINC000570852082 518812266 /nfs/dbraw/zinc/81/22/66/518812266.db2.gz ZZHWHCNUABODCM-CJNGLKHVSA-N -1 3 354.447 2.641 20 30 FFEDHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000588943397 518877358 /nfs/dbraw/zinc/87/73/58/518877358.db2.gz XHNOHOQGZPBNHE-UHFFFAOYSA-N -1 3 354.229 2.578 20 30 FFEDHM C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)[C@H](CC)CCC)cc1 ZINC000565429385 518953126 /nfs/dbraw/zinc/95/31/26/518953126.db2.gz YJDAXJRRQRCVER-OAHLLOKOSA-N -1 3 374.528 2.814 20 30 FFEDHM N#Cc1cccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1Br ZINC000565816052 519146822 /nfs/dbraw/zinc/14/68/22/519146822.db2.gz GPEVCUKBBKBGOW-GFCCVEGCSA-N -1 3 361.199 2.570 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(O[C@H]4CCOC4)cc3)nc1-2 ZINC000577578421 519147340 /nfs/dbraw/zinc/14/73/40/519147340.db2.gz IIHMSBINNMLKLX-JKSUJKDBSA-N -1 3 362.389 2.924 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000571602168 519173756 /nfs/dbraw/zinc/17/37/56/519173756.db2.gz DCFYSDHBTQWSFL-CABCVRRESA-N -1 3 354.859 2.783 20 30 FFEDHM Cc1c([N-]S(=O)(=O)C[C@H]2CCCO2)ccc(Br)c1C#N ZINC000580541585 519229682 /nfs/dbraw/zinc/22/96/82/519229682.db2.gz MUVXZIIMZLFXOQ-SNVBAGLBSA-N -1 3 359.245 2.550 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000574600316 519234638 /nfs/dbraw/zinc/23/46/38/519234638.db2.gz LVVOTKITQWHSHO-ZDUSSCGKSA-N -1 3 366.801 2.633 20 30 FFEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3cnccc3C(F)(F)F)CC2)c1 ZINC000566016454 519248683 /nfs/dbraw/zinc/24/86/83/519248683.db2.gz DBHIGHOMXILASC-UHFFFAOYSA-N -1 3 367.352 2.940 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cccc(Cl)c1 ZINC000583656221 519361141 /nfs/dbraw/zinc/36/11/41/519361141.db2.gz LWBNUAVCJPCAQH-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000571989029 519382550 /nfs/dbraw/zinc/38/25/50/519382550.db2.gz MNOQBRYTZAZDNS-ZDUSSCGKSA-N -1 3 359.304 2.516 20 30 FFEDHM CCOc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000591329039 519592280 /nfs/dbraw/zinc/59/22/80/519592280.db2.gz JIJKSGNNENJZBP-CQSZACIVSA-N -1 3 359.451 2.509 20 30 FFEDHM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1(C#N)CCC1 ZINC000612426515 519952897 /nfs/dbraw/zinc/95/28/97/519952897.db2.gz XMSVPRKPFWRZPF-UHFFFAOYSA-N -1 3 360.211 2.809 20 30 FFEDHM CN(C(=O)c1cnc2ccc(Br)cc2c1[O-])C1(C#N)CCC1 ZINC000612426515 519952903 /nfs/dbraw/zinc/95/29/03/519952903.db2.gz XMSVPRKPFWRZPF-UHFFFAOYSA-N -1 3 360.211 2.809 20 30 FFEDHM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)CCOCC3CC3)cn2)c1 ZINC000591590849 519960682 /nfs/dbraw/zinc/96/06/82/519960682.db2.gz RVEGXMPIXKXOJV-UHFFFAOYSA-N -1 3 373.434 2.914 20 30 FFEDHM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000594576593 520036157 /nfs/dbraw/zinc/03/61/57/520036157.db2.gz UYPAOACRJYSKNH-AWEZNQCLSA-N -1 3 357.273 2.869 20 30 FFEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1 ZINC000594706786 520103196 /nfs/dbraw/zinc/10/31/96/520103196.db2.gz WOITUIQSLBKTME-QGZVFWFLSA-N -1 3 351.472 2.937 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@]1(C)CCCO1 ZINC000594763340 520142660 /nfs/dbraw/zinc/14/26/60/520142660.db2.gz OVANHJDHJXZTHO-MRXNPFEDSA-N -1 3 350.465 2.929 20 30 FFEDHM COC1(C[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCC1 ZINC000594770421 520147486 /nfs/dbraw/zinc/14/74/86/520147486.db2.gz GHYPDWOQNAMFSP-UHFFFAOYSA-N -1 3 350.465 2.929 20 30 FFEDHM COc1ccc(-c2cc(C[N-]S(=O)(=O)CC(C)(C)CC#N)on2)cc1 ZINC000594845485 520184643 /nfs/dbraw/zinc/18/46/43/520184643.db2.gz NIBAGAGYMPXBOO-UHFFFAOYSA-N -1 3 363.439 2.709 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000617036094 520295492 /nfs/dbraw/zinc/29/54/92/520295492.db2.gz ZDFOJBJMLSRNLB-GDBMZVCRSA-N -1 3 368.474 2.745 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2N2CCCC2)o1 ZINC000592385271 520363468 /nfs/dbraw/zinc/36/34/68/520363468.db2.gz HKHDKCIIBLGXDE-IEBWSBKVSA-N -1 3 371.462 2.581 20 30 FFEDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000600668624 520387370 /nfs/dbraw/zinc/38/73/70/520387370.db2.gz RLOAMZVZJMKDAI-BMGDILEWSA-N -1 3 368.474 2.775 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)cn1CC1CC1 ZINC000595309065 520400053 /nfs/dbraw/zinc/40/00/53/520400053.db2.gz KFGTZLWUCLWABW-ZDUSSCGKSA-N -1 3 358.467 2.767 20 30 FFEDHM C[C@]1(c2ccc(CNc3cc(Cl)ccc3C#N)cc2)NC(=O)[N-]C1=O ZINC000609892760 520470606 /nfs/dbraw/zinc/47/06/06/520470606.db2.gz UBFWVXBRLPTVNB-GOSISDBHSA-N -1 3 354.797 2.878 20 30 FFEDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000613476455 520521871 /nfs/dbraw/zinc/52/18/71/520521871.db2.gz NKOZBIOWAIPMNL-SECBINFHSA-N -1 3 351.409 2.876 20 30 FFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCC1 ZINC000610089607 520535461 /nfs/dbraw/zinc/53/54/61/520535461.db2.gz ZKIJIOILBBCHPD-UHFFFAOYSA-N -1 3 368.430 2.630 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000598355115 520572880 /nfs/dbraw/zinc/57/28/80/520572880.db2.gz VNWDLRHALPYHNC-CYBMUJFWSA-N -1 3 357.454 2.768 20 30 FFEDHM CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)[C@@H](C)C#N ZINC000598357982 520573534 /nfs/dbraw/zinc/57/35/34/520573534.db2.gz LFGKNFDBQBDISI-LBPRGKRZSA-N -1 3 372.450 2.713 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000610267098 520612525 /nfs/dbraw/zinc/61/25/25/520612525.db2.gz HJJRCIRVOHHTMY-LLVKDONJSA-N -1 3 352.362 2.582 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000610339357 520642462 /nfs/dbraw/zinc/64/24/62/520642462.db2.gz RJUHKBXFQMDTLL-NSHDSACASA-N -1 3 364.398 2.754 20 30 FFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3coc(S(C)(=O)=O)c3)sc2C1 ZINC000592998559 520676520 /nfs/dbraw/zinc/67/65/20/520676520.db2.gz BOYDNPWDMCQWFZ-VIFPVBQESA-N -1 3 364.448 2.993 20 30 FFEDHM CCC(CC)(CNC(=O)N=c1[n-]n(C)cc1C#N)N[C@@H](C)c1ccccc1 ZINC000610563957 520741326 /nfs/dbraw/zinc/74/13/26/520741326.db2.gz JDFBLKOQJCKYMM-HNNXBMFYSA-N -1 3 368.485 2.745 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)s1 ZINC000614080227 520788527 /nfs/dbraw/zinc/78/85/27/520788527.db2.gz LGHWDPRNPDBRGW-XHBSWPGZSA-N -1 3 369.512 2.696 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)s1 ZINC000614080226 520788857 /nfs/dbraw/zinc/78/88/57/520788857.db2.gz LGHWDPRNPDBRGW-OZVIIMIRSA-N -1 3 369.512 2.696 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ncccc3Cl)sc2C1 ZINC000598889674 520904032 /nfs/dbraw/zinc/90/40/32/520904032.db2.gz CUTCZTWJHLKROP-UHFFFAOYSA-N -1 3 360.826 2.825 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2c(F)cc(F)cc21 ZINC000593337630 520919303 /nfs/dbraw/zinc/91/93/03/520919303.db2.gz DZFJHVHMLBGBBS-UHFFFAOYSA-N -1 3 373.359 2.912 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000611028883 520953214 /nfs/dbraw/zinc/95/32/14/520953214.db2.gz FORXXWYZCCKJGG-QMMMGPOBSA-N -1 3 351.306 2.584 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000611113777 520990952 /nfs/dbraw/zinc/99/09/52/520990952.db2.gz IWMMUWUXMUNVAH-VIFPVBQESA-N -1 3 365.333 2.830 20 30 FFEDHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593525395 521049401 /nfs/dbraw/zinc/04/94/01/521049401.db2.gz DSUUKWKJWSAYTC-SNVBAGLBSA-N -1 3 352.437 2.676 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000593560577 521076477 /nfs/dbraw/zinc/07/64/77/521076477.db2.gz VHQCCNCGRGMINR-GFCCVEGCSA-N -1 3 367.883 2.830 20 30 FFEDHM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cn1 ZINC000593571228 521082969 /nfs/dbraw/zinc/08/29/69/521082969.db2.gz DUEOTPNUPKXAAI-UHFFFAOYSA-N -1 3 351.453 2.671 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@@H]1OCCc2sccc21 ZINC000593598141 521098822 /nfs/dbraw/zinc/09/88/22/521098822.db2.gz OVOFZDNLYSSGED-OTYXRUKQSA-N -1 3 354.478 2.662 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)cc1C#N ZINC000599416548 521207480 /nfs/dbraw/zinc/20/74/80/521207480.db2.gz FADMOVJHESMZCA-INIZCTEOSA-N -1 3 365.405 2.807 20 30 FFEDHM CC[C@]([N-]S(=O)(=O)c1cccc(CC#N)c1)(C(=O)OC)c1ccccc1 ZINC000619482560 521591211 /nfs/dbraw/zinc/59/12/11/521591211.db2.gz QDRQESNGLFOLOR-LJQANCHMSA-N -1 3 372.446 2.509 20 30 FFEDHM COc1ccc([O-])c(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1 ZINC000541132702 562604056 /nfs/dbraw/zinc/60/40/56/562604056.db2.gz UTVNTRTZFGUIOM-UHFFFAOYSA-N -1 3 352.325 2.850 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(CC)on1 ZINC000735418150 598905677 /nfs/dbraw/zinc/90/56/77/598905677.db2.gz CLGGXBIKCODGMY-UHFFFAOYSA-N -1 3 353.386 2.637 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(CC)on1 ZINC000735418150 598905678 /nfs/dbraw/zinc/90/56/78/598905678.db2.gz CLGGXBIKCODGMY-UHFFFAOYSA-N -1 3 353.386 2.637 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)on2)cc1 ZINC000737287971 598916935 /nfs/dbraw/zinc/91/69/35/598916935.db2.gz LCMFJAYUWVQZKU-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)on2)cc1 ZINC000737287971 598916937 /nfs/dbraw/zinc/91/69/37/598916937.db2.gz LCMFJAYUWVQZKU-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM COc1ccc2c(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)coc2c1 ZINC000737115410 598917129 /nfs/dbraw/zinc/91/71/29/598917129.db2.gz PPAVUWJGNJGDQT-UHFFFAOYSA-N -1 3 374.360 2.674 20 30 FFEDHM COc1ccc2c(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)coc2c1 ZINC000737115410 598917130 /nfs/dbraw/zinc/91/71/30/598917130.db2.gz PPAVUWJGNJGDQT-UHFFFAOYSA-N -1 3 374.360 2.674 20 30 FFEDHM Cc1cccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737400685 598918339 /nfs/dbraw/zinc/91/83/39/598918339.db2.gz DXAMHSLCQHKZJY-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM Cc1cccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737400685 598918341 /nfs/dbraw/zinc/91/83/41/598918341.db2.gz DXAMHSLCQHKZJY-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM N#Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC000737710192 598920417 /nfs/dbraw/zinc/92/04/17/598920417.db2.gz VDXHUYLPIQSBTR-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC000737710192 598920418 /nfs/dbraw/zinc/92/04/18/598920418.db2.gz VDXHUYLPIQSBTR-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1 ZINC000735580782 598929463 /nfs/dbraw/zinc/92/94/63/598929463.db2.gz KJHPPUWBYZWHEJ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1 ZINC000735580782 598929465 /nfs/dbraw/zinc/92/94/65/598929465.db2.gz KJHPPUWBYZWHEJ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM Cc1ccc(C)c(OCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737327272 598925547 /nfs/dbraw/zinc/92/55/47/598925547.db2.gz YCRCECTUKKIAGL-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1ccc(C)c(OCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737327272 598925548 /nfs/dbraw/zinc/92/55/48/598925548.db2.gz YCRCECTUKKIAGL-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1nc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2nc1C ZINC000737486561 598926856 /nfs/dbraw/zinc/92/68/56/598926856.db2.gz DFRCWSJAYKJBME-UHFFFAOYSA-N -1 3 370.376 2.551 20 30 FFEDHM Cc1nc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2nc1C ZINC000737486561 598926858 /nfs/dbraw/zinc/92/68/58/598926858.db2.gz DFRCWSJAYKJBME-UHFFFAOYSA-N -1 3 370.376 2.551 20 30 FFEDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000736191344 599109059 /nfs/dbraw/zinc/10/90/59/599109059.db2.gz IFGHQGLBJPKBPU-GFCCVEGCSA-N -1 3 356.455 2.690 20 30 FFEDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)NC1(C#N)CCCCC1 ZINC000736191344 599109060 /nfs/dbraw/zinc/10/90/60/599109060.db2.gz IFGHQGLBJPKBPU-GFCCVEGCSA-N -1 3 356.455 2.690 20 30 FFEDHM N#Cc1ccc(-c2nnc(COc3ccc(-c4nnn[n-]4)c(F)c3)o2)cc1 ZINC000737710291 599167465 /nfs/dbraw/zinc/16/74/65/599167465.db2.gz STNBJTMBUOGPFQ-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1ccc(-c2nnc(COc3ccc(-c4nn[n-]n4)c(F)c3)o2)cc1 ZINC000737710291 599167467 /nfs/dbraw/zinc/16/74/67/599167467.db2.gz STNBJTMBUOGPFQ-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379958 599278473 /nfs/dbraw/zinc/27/84/73/599278473.db2.gz IYPWPIOQUNEXHX-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379958 599278475 /nfs/dbraw/zinc/27/84/75/599278475.db2.gz IYPWPIOQUNEXHX-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM FC(F)(F)c1cc(NN=Cc2cnn3ccccc23)ccc1-c1nnn[n-]1 ZINC000737634233 598277173 /nfs/dbraw/zinc/27/71/73/598277173.db2.gz ZNJOIZVBSCAAHC-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM FC(F)(F)c1cc(NN=Cc2cnn3ccccc23)ccc1-c1nn[n-]n1 ZINC000737634233 598277175 /nfs/dbraw/zinc/27/71/75/598277175.db2.gz ZNJOIZVBSCAAHC-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735429246 598284340 /nfs/dbraw/zinc/28/43/40/598284340.db2.gz RXSBMGPNHFPCOA-CYBMUJFWSA-N -1 3 364.409 2.762 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735429246 598284341 /nfs/dbraw/zinc/28/43/41/598284341.db2.gz RXSBMGPNHFPCOA-CYBMUJFWSA-N -1 3 364.409 2.762 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)nc1 ZINC000737711183 598437618 /nfs/dbraw/zinc/43/76/18/598437618.db2.gz HEFWPSPLOGWRSX-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)nc1 ZINC000737711183 598437620 /nfs/dbraw/zinc/43/76/20/598437620.db2.gz HEFWPSPLOGWRSX-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM CC(C)(C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735571681 598542653 /nfs/dbraw/zinc/54/26/53/598542653.db2.gz HCSLOLHQSWWWDV-UHFFFAOYSA-N -1 3 362.393 2.934 20 30 FFEDHM CC(C)(C#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735571681 598542655 /nfs/dbraw/zinc/54/26/55/598542655.db2.gz HCSLOLHQSWWWDV-UHFFFAOYSA-N -1 3 362.393 2.934 20 30 FFEDHM N#Cc1nccnc1Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737730310 598552046 /nfs/dbraw/zinc/55/20/46/598552046.db2.gz JAVDHYPTONIJNV-UHFFFAOYSA-N -1 3 370.376 2.851 20 30 FFEDHM N#Cc1nccnc1Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737730310 598552048 /nfs/dbraw/zinc/55/20/48/598552048.db2.gz JAVDHYPTONIJNV-UHFFFAOYSA-N -1 3 370.376 2.851 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000737674763 598589717 /nfs/dbraw/zinc/58/97/17/598589717.db2.gz LMSGTJKKFVWJGG-AWEZNQCLSA-N -1 3 372.310 2.880 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000737674763 598589718 /nfs/dbraw/zinc/58/97/18/598589718.db2.gz LMSGTJKKFVWJGG-AWEZNQCLSA-N -1 3 372.310 2.880 20 30 FFEDHM CC(C)C[C@](C)(C#N)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735756443 598686153 /nfs/dbraw/zinc/68/61/53/598686153.db2.gz OHMNAWQEFGRGRK-LJQANCHMSA-N -1 3 370.457 2.860 20 30 FFEDHM CC(C)C[C@](C)(C#N)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735756443 598686154 /nfs/dbraw/zinc/68/61/54/598686154.db2.gz OHMNAWQEFGRGRK-LJQANCHMSA-N -1 3 370.457 2.860 20 30 FFEDHM C=C1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000735402514 598688005 /nfs/dbraw/zinc/68/80/05/598688005.db2.gz DIEOIWHIUFSCRH-UHFFFAOYSA-N -1 3 362.393 2.846 20 30 FFEDHM C=C1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000735402514 598688006 /nfs/dbraw/zinc/68/80/06/598688006.db2.gz DIEOIWHIUFSCRH-UHFFFAOYSA-N -1 3 362.393 2.846 20 30 FFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735419617 598757471 /nfs/dbraw/zinc/75/74/71/598757471.db2.gz YANKNYAEQRBGGT-UHFFFAOYSA-N -1 3 361.471 2.624 20 30 FFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735419617 598757472 /nfs/dbraw/zinc/75/74/72/598757472.db2.gz YANKNYAEQRBGGT-UHFFFAOYSA-N -1 3 361.471 2.624 20 30 FFEDHM N#Cc1cccc(OCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737730943 598802847 /nfs/dbraw/zinc/80/28/47/598802847.db2.gz SVQNRNGAWLQJBS-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM N#Cc1cccc(OCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000737730943 598802849 /nfs/dbraw/zinc/80/28/49/598802849.db2.gz SVQNRNGAWLQJBS-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM COCCN(CC(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000739811458 603170266 /nfs/dbraw/zinc/17/02/66/603170266.db2.gz DAUMKMNZUKURFX-CYBMUJFWSA-N -1 3 359.407 2.613 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000831066798 604220303 /nfs/dbraw/zinc/22/03/03/604220303.db2.gz YZJCGLWEWNBHPR-GDLCADMTSA-N -1 3 363.801 2.814 20 30 FFEDHM COc1ccc(C=C2Cc3c(cc(F)cc3F)C2=O)cc1-c1nnn[n-]1 ZINC000826191088 607681051 /nfs/dbraw/zinc/68/10/51/607681051.db2.gz WQMDXAZTGAYVRE-WMZJFQQLSA-N -1 3 354.316 2.976 20 30 FFEDHM COc1ccc(C=C2Cc3c(cc(F)cc3F)C2=O)cc1-c1nn[n-]n1 ZINC000826191088 607681052 /nfs/dbraw/zinc/68/10/52/607681052.db2.gz WQMDXAZTGAYVRE-WMZJFQQLSA-N -1 3 354.316 2.976 20 30 FFEDHM N#CCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381555 607708344 /nfs/dbraw/zinc/70/83/44/607708344.db2.gz PZOUKHYXFVMARS-KRWDZBQOSA-N -1 3 361.409 2.711 20 30 FFEDHM N#CCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381555 607708346 /nfs/dbraw/zinc/70/83/46/607708346.db2.gz PZOUKHYXFVMARS-KRWDZBQOSA-N -1 3 361.409 2.711 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cn1 ZINC000826384704 607770617 /nfs/dbraw/zinc/77/06/17/607770617.db2.gz GQUNYFRXFILCSL-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cn1 ZINC000826384704 607770618 /nfs/dbraw/zinc/77/06/18/607770618.db2.gz GQUNYFRXFILCSL-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820937962 606127163 /nfs/dbraw/zinc/12/71/63/606127163.db2.gz FXAMYRSBBYTFFP-INIZCTEOSA-N -1 3 362.393 2.843 20 30 FFEDHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820937962 606127164 /nfs/dbraw/zinc/12/71/64/606127164.db2.gz FXAMYRSBBYTFFP-INIZCTEOSA-N -1 3 362.393 2.843 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820219449 606272047 /nfs/dbraw/zinc/27/20/47/606272047.db2.gz GVEMLXFOEUWZPH-SNVBAGLBSA-N -1 3 353.411 2.841 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820219449 606272049 /nfs/dbraw/zinc/27/20/49/606272049.db2.gz GVEMLXFOEUWZPH-SNVBAGLBSA-N -1 3 353.411 2.841 20 30 FFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC000821122924 606282969 /nfs/dbraw/zinc/28/29/69/606282969.db2.gz CEGHHPULVQVFRO-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM CCN(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000821165025 606307200 /nfs/dbraw/zinc/30/72/00/606307200.db2.gz NGGOHKLMIHRQMK-KTKRTIGZSA-N -1 3 373.420 2.867 20 30 FFEDHM CCN(C)c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000821165025 606307201 /nfs/dbraw/zinc/30/72/01/606307201.db2.gz NGGOHKLMIHRQMK-KTKRTIGZSA-N -1 3 373.420 2.867 20 30 FFEDHM N#Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822832767 606311429 /nfs/dbraw/zinc/31/14/29/606311429.db2.gz GDAPQDZARBHENH-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822832767 606311431 /nfs/dbraw/zinc/31/14/31/606311431.db2.gz GDAPQDZARBHENH-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000820555200 606326802 /nfs/dbraw/zinc/32/68/02/606326802.db2.gz HELZEAFUSLOIPB-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000820555200 606326804 /nfs/dbraw/zinc/32/68/04/606326804.db2.gz HELZEAFUSLOIPB-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C=CCc1cc(OCC)ccc1OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000819758881 606404935 /nfs/dbraw/zinc/40/49/35/606404935.db2.gz IWNGOKFBEMCXBF-UHFFFAOYSA-N -1 3 353.382 2.552 20 30 FFEDHM C=CCc1cc(OCC)ccc1OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000819758881 606404936 /nfs/dbraw/zinc/40/49/36/606404936.db2.gz IWNGOKFBEMCXBF-UHFFFAOYSA-N -1 3 353.382 2.552 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)cs1 ZINC000820152465 606496426 /nfs/dbraw/zinc/49/64/26/606496426.db2.gz YUAUFOCRSOQRHV-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)cs1 ZINC000820152465 606496428 /nfs/dbraw/zinc/49/64/28/606496428.db2.gz YUAUFOCRSOQRHV-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819745944 606498320 /nfs/dbraw/zinc/49/83/20/606498320.db2.gz VYYLYYMWSWCNKQ-UHFFFAOYSA-N -1 3 370.394 2.665 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819745944 606498322 /nfs/dbraw/zinc/49/83/22/606498322.db2.gz VYYLYYMWSWCNKQ-UHFFFAOYSA-N -1 3 370.394 2.665 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000820151070 606530590 /nfs/dbraw/zinc/53/05/90/606530590.db2.gz CCGOLBLFUPVSPN-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000820151070 606530591 /nfs/dbraw/zinc/53/05/91/606530591.db2.gz CCGOLBLFUPVSPN-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000820384738 606666824 /nfs/dbraw/zinc/66/68/24/606666824.db2.gz LGMLXYSHUPEPEX-SECBINFHSA-N -1 3 354.320 2.508 20 30 FFEDHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000820384738 606666825 /nfs/dbraw/zinc/66/68/25/606666825.db2.gz LGMLXYSHUPEPEX-SECBINFHSA-N -1 3 354.320 2.508 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(CCOC)CCCC1 ZINC000819743533 606717827 /nfs/dbraw/zinc/71/78/27/606717827.db2.gz LGWGKIZDWRSOHU-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(CCOC)CCCC1 ZINC000819743533 606717828 /nfs/dbraw/zinc/71/78/28/606717828.db2.gz LGWGKIZDWRSOHU-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820518754 606732335 /nfs/dbraw/zinc/73/23/35/606732335.db2.gz KHBQBXVXSOQKLL-GFCCVEGCSA-N -1 3 354.414 2.805 20 30 FFEDHM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820518754 606732337 /nfs/dbraw/zinc/73/23/37/606732337.db2.gz KHBQBXVXSOQKLL-GFCCVEGCSA-N -1 3 354.414 2.805 20 30 FFEDHM C=C(C)COCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000819722598 606810393 /nfs/dbraw/zinc/81/03/93/606810393.db2.gz NQDPNQSHSPEKBI-UHFFFAOYSA-N -1 3 363.421 2.856 20 30 FFEDHM C=C(C)COCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819722598 606810394 /nfs/dbraw/zinc/81/03/94/606810394.db2.gz NQDPNQSHSPEKBI-UHFFFAOYSA-N -1 3 363.421 2.856 20 30 FFEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819729710 606832809 /nfs/dbraw/zinc/83/28/09/606832809.db2.gz KZUMMBRUDLZIIN-NSHDSACASA-N -1 3 351.370 2.750 20 30 FFEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819729710 606832811 /nfs/dbraw/zinc/83/28/11/606832811.db2.gz KZUMMBRUDLZIIN-NSHDSACASA-N -1 3 351.370 2.750 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000819734438 606924865 /nfs/dbraw/zinc/92/48/65/606924865.db2.gz NUWGJINGSUEZED-UHFFFAOYSA-N -1 3 366.469 2.674 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000819734438 606924866 /nfs/dbraw/zinc/92/48/66/606924866.db2.gz NUWGJINGSUEZED-UHFFFAOYSA-N -1 3 366.469 2.674 20 30 FFEDHM C#CCCCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819693882 606955842 /nfs/dbraw/zinc/95/58/42/606955842.db2.gz XXZACACYXXQUOU-UHFFFAOYSA-N -1 3 365.393 2.572 20 30 FFEDHM Cc1c(C(=O)C=Cc2cncs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822015002 607122344 /nfs/dbraw/zinc/12/23/44/607122344.db2.gz BETQQCFBLIUCFE-VOTSOKGWSA-N -1 3 363.406 2.713 20 30 FFEDHM Fc1ccc(F)c(CNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000822774506 607147442 /nfs/dbraw/zinc/14/74/42/607147442.db2.gz KQGVYHWEVVLUKM-UHFFFAOYSA-N -1 3 353.336 2.750 20 30 FFEDHM Fc1ccc(F)c(CNN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822774506 607147444 /nfs/dbraw/zinc/14/74/44/607147444.db2.gz KQGVYHWEVVLUKM-UHFFFAOYSA-N -1 3 353.336 2.750 20 30 FFEDHM C=CCc1cc(OC)ccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823936953 607872388 /nfs/dbraw/zinc/87/23/88/607872388.db2.gz ASWSQXUXUNKFRH-QGZVFWFLSA-N -1 3 352.394 2.716 20 30 FFEDHM C=CCc1cc(OC)ccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823936953 607872389 /nfs/dbraw/zinc/87/23/89/607872389.db2.gz ASWSQXUXUNKFRH-QGZVFWFLSA-N -1 3 352.394 2.716 20 30 FFEDHM C#CCOCCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823856066 607916347 /nfs/dbraw/zinc/91/63/47/607916347.db2.gz GVSOIQWYNIUMHI-UHFFFAOYSA-N -1 3 362.389 2.617 20 30 FFEDHM C#CCOCCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823856066 607916348 /nfs/dbraw/zinc/91/63/48/607916348.db2.gz GVSOIQWYNIUMHI-UHFFFAOYSA-N -1 3 362.389 2.617 20 30 FFEDHM C#CCOCCC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000823856657 607923896 /nfs/dbraw/zinc/92/38/96/607923896.db2.gz VSCIGGJSYZNYNO-UHFFFAOYSA-N -1 3 353.407 2.574 20 30 FFEDHM C#CCOCCC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000823856657 607923897 /nfs/dbraw/zinc/92/38/97/607923897.db2.gz VSCIGGJSYZNYNO-UHFFFAOYSA-N -1 3 353.407 2.574 20 30 FFEDHM C=C[C@H](CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000823883582 607984898 /nfs/dbraw/zinc/98/48/98/607984898.db2.gz UTXNFDFWVUZAGH-CYBMUJFWSA-N -1 3 351.385 2.982 20 30 FFEDHM C=C[C@H](CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000823883582 607984899 /nfs/dbraw/zinc/98/48/99/607984899.db2.gz UTXNFDFWVUZAGH-CYBMUJFWSA-N -1 3 351.385 2.982 20 30 FFEDHM C=C[C@@H](CC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882747 607995141 /nfs/dbraw/zinc/99/51/41/607995141.db2.gz CVXZWIPNQYPZCH-HNNXBMFYSA-N -1 3 363.421 2.851 20 30 FFEDHM C=C[C@@H](CC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882747 607995142 /nfs/dbraw/zinc/99/51/42/607995142.db2.gz CVXZWIPNQYPZCH-HNNXBMFYSA-N -1 3 363.421 2.851 20 30 FFEDHM COc1ccc(N=NC(C)c2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC000826210116 608095312 /nfs/dbraw/zinc/09/53/12/608095312.db2.gz FEYCRFJXPDSDDT-UHFFFAOYSA-N -1 3 359.371 2.681 20 30 FFEDHM COc1ccc(N=NC(C)c2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1 ZINC000826210116 608095313 /nfs/dbraw/zinc/09/53/13/608095313.db2.gz FEYCRFJXPDSDDT-UHFFFAOYSA-N -1 3 359.371 2.681 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1c(F)cccc1F ZINC000824047122 608157188 /nfs/dbraw/zinc/15/71/88/608157188.db2.gz XTBITIZOWVFUIP-SECBINFHSA-N -1 3 354.320 2.759 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1c(F)cccc1F ZINC000824047122 608157189 /nfs/dbraw/zinc/15/71/89/608157189.db2.gz XTBITIZOWVFUIP-SECBINFHSA-N -1 3 354.320 2.759 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823894384 608334247 /nfs/dbraw/zinc/33/42/47/608334247.db2.gz OSWHNLQOJRKKIN-UHFFFAOYSA-N -1 3 367.450 2.514 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823894384 608334249 /nfs/dbraw/zinc/33/42/49/608334249.db2.gz OSWHNLQOJRKKIN-UHFFFAOYSA-N -1 3 367.450 2.514 20 30 FFEDHM N#Cc1ccc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)nn1 ZINC000826385929 608412626 /nfs/dbraw/zinc/41/26/26/608412626.db2.gz HUUSXNXWEBEVMG-UHFFFAOYSA-N -1 3 370.376 2.851 20 30 FFEDHM N#Cc1ccc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)nn1 ZINC000826385929 608412627 /nfs/dbraw/zinc/41/26/27/608412627.db2.gz HUUSXNXWEBEVMG-UHFFFAOYSA-N -1 3 370.376 2.851 20 30 FFEDHM N#Cc1cccc(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826386844 608480535 /nfs/dbraw/zinc/48/05/35/608480535.db2.gz VBVUTGDDXLNDEF-UHFFFAOYSA-N -1 3 370.416 2.597 20 30 FFEDHM N#Cc1cccc(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826386844 608480536 /nfs/dbraw/zinc/48/05/36/608480536.db2.gz VBVUTGDDXLNDEF-UHFFFAOYSA-N -1 3 370.416 2.597 20 30 FFEDHM COc1ccc2c(c1)CC(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CC2 ZINC000826212209 608534469 /nfs/dbraw/zinc/53/44/69/608534469.db2.gz JXHYXSWTHXBQMY-UHFFFAOYSA-N -1 3 369.816 2.881 20 30 FFEDHM COc1ccc2c(c1)CC(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CC2 ZINC000826212209 608534470 /nfs/dbraw/zinc/53/44/70/608534470.db2.gz JXHYXSWTHXBQMY-UHFFFAOYSA-N -1 3 369.816 2.881 20 30 FFEDHM FC(F)(F)c1cccnc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826368746 608536652 /nfs/dbraw/zinc/53/66/52/608536652.db2.gz AACQVPJZNQATJW-UHFFFAOYSA-N -1 3 368.710 2.775 20 30 FFEDHM Cc1nn(C(C)(C)C)c(C)c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826332702 608537409 /nfs/dbraw/zinc/53/74/09/608537409.db2.gz DGNRXWUWWDVVFJ-UHFFFAOYSA-N -1 3 373.852 2.929 20 30 FFEDHM Cc1nn(C(C)(C)C)c(C)c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826332702 608537410 /nfs/dbraw/zinc/53/74/10/608537410.db2.gz DGNRXWUWWDVVFJ-UHFFFAOYSA-N -1 3 373.852 2.929 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1C(=O)OC ZINC000823915384 608633242 /nfs/dbraw/zinc/63/32/42/608633242.db2.gz WQOQNTUZPFTWKW-UHFFFAOYSA-N -1 3 363.421 2.842 20 30 FFEDHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccn1 ZINC000825076614 609186553 /nfs/dbraw/zinc/18/65/53/609186553.db2.gz WVOPSKZZJRDVNK-NSHDSACASA-N -1 3 363.381 2.563 20 30 FFEDHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccn1 ZINC000825076614 609186554 /nfs/dbraw/zinc/18/65/54/609186554.db2.gz WVOPSKZZJRDVNK-NSHDSACASA-N -1 3 363.381 2.563 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1 ZINC000826178900 609271616 /nfs/dbraw/zinc/27/16/16/609271616.db2.gz QDQPWNAKRJAHGA-UTCJRWHESA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1 ZINC000826178900 609271617 /nfs/dbraw/zinc/27/16/17/609271617.db2.gz QDQPWNAKRJAHGA-UTCJRWHESA-N -1 3 354.341 2.919 20 30 FFEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962604 609275811 /nfs/dbraw/zinc/27/58/11/609275811.db2.gz MLJADNDYDNNATM-UHFFFAOYSA-N -1 3 368.376 2.999 20 30 FFEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962604 609275813 /nfs/dbraw/zinc/27/58/13/609275813.db2.gz MLJADNDYDNNATM-UHFFFAOYSA-N -1 3 368.376 2.999 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000826383282 609320669 /nfs/dbraw/zinc/32/06/69/609320669.db2.gz SHOPYUXHASAUAX-UHFFFAOYSA-N -1 3 366.385 2.737 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000826383282 609320670 /nfs/dbraw/zinc/32/06/70/609320670.db2.gz SHOPYUXHASAUAX-UHFFFAOYSA-N -1 3 366.385 2.737 20 30 FFEDHM Cn1cc(CNc2ccc(F)c(-c3nnn[n-]3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826361627 609444107 /nfs/dbraw/zinc/44/41/07/609444107.db2.gz GGKNZTSYIVFYAL-UHFFFAOYSA-N -1 3 374.383 2.890 20 30 FFEDHM Cn1cc(CNc2ccc(F)c(-c3nn[n-]n3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826361627 609444109 /nfs/dbraw/zinc/44/41/09/609444109.db2.gz GGKNZTSYIVFYAL-UHFFFAOYSA-N -1 3 374.383 2.890 20 30 FFEDHM Cc1cc2c(c(F)c1)NC(=O)C2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826268454 609471521 /nfs/dbraw/zinc/47/15/21/609471521.db2.gz XZLZHHFASSNVNX-UHFFFAOYSA-N -1 3 371.763 2.736 20 30 FFEDHM Cc1cc2c(c(F)c1)NC(=O)C2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826268454 609471523 /nfs/dbraw/zinc/47/15/23/609471523.db2.gz XZLZHHFASSNVNX-UHFFFAOYSA-N -1 3 371.763 2.736 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCO[C@H](CCC)C1 ZINC000823909745 609540197 /nfs/dbraw/zinc/54/01/97/609540197.db2.gz PJNXCNMPKJESIT-QZTJIDSGSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCO[C@H](CCC)C1 ZINC000823909745 609540200 /nfs/dbraw/zinc/54/02/00/609540200.db2.gz PJNXCNMPKJESIT-QZTJIDSGSA-N -1 3 369.469 2.977 20 30 FFEDHM COc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)c(OC)c1 ZINC000743448752 735298638 /nfs/dbraw/zinc/29/86/38/735298638.db2.gz CZZWIOICJSIOGS-UHFFFAOYSA-N -1 3 362.451 2.590 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(CC)CCC ZINC000746233685 735471519 /nfs/dbraw/zinc/47/15/19/735471519.db2.gz ZPTVGZFSSMPJCV-HNNXBMFYSA-N -1 3 365.499 2.542 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC)ccc1F ZINC000045263282 727999629 /nfs/dbraw/zinc/99/96/29/727999629.db2.gz RCBDIRJXGUEVIK-CQSZACIVSA-N -1 3 354.447 2.695 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C2CCC2)ccc1F ZINC000102876874 728492948 /nfs/dbraw/zinc/49/29/48/728492948.db2.gz GVZPBOVJWCOOAT-MRXNPFEDSA-N -1 3 366.458 2.695 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C(C)C)C2CCC2)ccc1F ZINC000121854549 728640778 /nfs/dbraw/zinc/64/07/78/728640778.db2.gz VHBKVFWSHGCKQZ-UHFFFAOYSA-N -1 3 354.447 2.693 20 30 FFEDHM CC(C)CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000172667685 729030356 /nfs/dbraw/zinc/03/03/56/729030356.db2.gz ZSDDRWXEHMYHON-CQSZACIVSA-N -1 3 359.817 2.939 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(CC)s2)ccc1F ZINC000173058186 729038695 /nfs/dbraw/zinc/03/86/95/729038695.db2.gz ZZHPZRWHAVIIMO-UHFFFAOYSA-N -1 3 369.443 2.561 20 30 FFEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)C#N ZINC000173975363 729059349 /nfs/dbraw/zinc/05/93/49/729059349.db2.gz SLFIRDFQNUEVLB-ZETCQYMHSA-N -1 3 367.652 2.549 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC2CCC2)C(C)C)ccc1F ZINC000195151964 729530795 /nfs/dbraw/zinc/53/07/95/729530795.db2.gz JSWUJPZEUYTQDC-UHFFFAOYSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CCCC(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC000856374399 730330418 /nfs/dbraw/zinc/33/04/18/730330418.db2.gz ZNOHKHFYQYWLPS-UHFFFAOYSA-N -1 3 354.447 2.765 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc([O-])cc(Br)c1 ZINC000860200413 730486506 /nfs/dbraw/zinc/48/65/06/730486506.db2.gz BEFRTWUKRCJJLY-LLVKDONJSA-N -1 3 368.227 2.901 20 30 FFEDHM COCCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000860470951 730515327 /nfs/dbraw/zinc/51/53/27/730515327.db2.gz XNNBXRSDMSWZNI-CYBMUJFWSA-N -1 3 360.801 2.534 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1 ZINC000862331405 730688754 /nfs/dbraw/zinc/68/87/54/730688754.db2.gz FIPHDKMKBCOIJZ-CHWSQXEVSA-N -1 3 361.772 2.633 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H]2CC=CCC2)ccc1F ZINC000862946721 730736347 /nfs/dbraw/zinc/73/63/47/730736347.db2.gz CDNNWJLQBMGZMX-CQSZACIVSA-N -1 3 366.458 2.766 20 30 FFEDHM Cc1cccn2c(=O)c(C([O-])=C(C#N)c3nc(C4CC4)cs3)cnc12 ZINC000647378626 730739717 /nfs/dbraw/zinc/73/97/17/730739717.db2.gz MDVWZAJMNWWEJL-GFCCVEGCSA-N -1 3 350.403 2.827 20 30 FFEDHM O=C(CC(F)(F)C(F)(F)F)[N-]CC(=O)Nc1ccc(F)c(F)c1F ZINC000864516415 730855574 /nfs/dbraw/zinc/85/55/74/730855574.db2.gz IQEODUMOBQFGHH-UHFFFAOYSA-N -1 3 364.192 2.746 20 30 FFEDHM C=CCNC(=S)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000865261601 730932214 /nfs/dbraw/zinc/93/22/14/730932214.db2.gz XCJADZWACYEBTB-NSHDSACASA-N -1 3 357.401 2.719 20 30 FFEDHM N#Cc1c(Br)cccc1NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866290563 731046850 /nfs/dbraw/zinc/04/68/50/731046850.db2.gz ZIILTOLLTIYCBB-UHFFFAOYSA-N -1 3 361.199 2.501 20 30 FFEDHM N#Cc1ccc(NCc2nc3c(c(=O)[n-]2)COCC3)c(C(F)(F)F)c1 ZINC000866289808 731046861 /nfs/dbraw/zinc/04/68/61/731046861.db2.gz MDRMGLUEDSJNTO-UHFFFAOYSA-N -1 3 350.300 2.757 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)c(NCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC000866290195 731046929 /nfs/dbraw/zinc/04/69/29/731046929.db2.gz SLMVYEGDLUMOHG-UHFFFAOYSA-N -1 3 350.300 2.757 20 30 FFEDHM O=C(Cc1coc2c1ccc(Cl)c2Cl)N[C@H]1CCCN([O-])C1=O ZINC000868562601 731305456 /nfs/dbraw/zinc/30/54/56/731305456.db2.gz IYUMQJJQFPUVTQ-NSHDSACASA-N -1 3 357.193 2.779 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)cc2C#N)cs1 ZINC000872461128 731772470 /nfs/dbraw/zinc/77/24/70/731772470.db2.gz OLVLPWRADMQNIL-NSHDSACASA-N -1 3 351.453 2.509 20 30 FFEDHM C[C@H](CC(=O)OCCCC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000781186424 738604859 /nfs/dbraw/zinc/60/48/59/738604859.db2.gz PGDJNDUGSYBSOS-CYBMUJFWSA-N -1 3 366.483 2.873 20 30 FFEDHM O=C(Nc1cccc(Cl)c1Br)N[C@H]1CCCN([O-])C1=O ZINC000879366390 732691342 /nfs/dbraw/zinc/69/13/42/732691342.db2.gz XXWBGARKQQFGIF-VIFPVBQESA-N -1 3 362.611 2.604 20 30 FFEDHM O=C1C=COC2(CCN(Cc3cccc(Br)c3[O-])CC2)C1 ZINC000897602778 735253806 /nfs/dbraw/zinc/25/38/06/735253806.db2.gz VKJVFALEEKZYIG-UHFFFAOYSA-N -1 3 352.228 2.992 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2ccc(I)cc2)c1[O-] ZINC000747707680 735583938 /nfs/dbraw/zinc/58/39/38/735583938.db2.gz OGOUQGOKUONVSE-UHFFFAOYSA-N -1 3 368.174 2.943 20 30 FFEDHM O=C([C@@H]1CCCN(CC(F)(F)F)C1=O)N([O-])Cc1ccccc1Cl ZINC000900678633 735678829 /nfs/dbraw/zinc/67/88/29/735678829.db2.gz KLDGAOBBMHOGNR-LLVKDONJSA-N -1 3 364.751 2.859 20 30 FFEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC#N)cc2)cc1 ZINC000901741967 735829824 /nfs/dbraw/zinc/82/98/24/735829824.db2.gz ONSDVGBCADEGBJ-UHFFFAOYSA-N -1 3 360.435 2.969 20 30 FFEDHM N#CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1)C(F)(F)F ZINC000901774740 735837546 /nfs/dbraw/zinc/83/75/46/735837546.db2.gz IXCNMSVOECTDDF-VIFPVBQESA-N -1 3 357.151 2.572 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccccc2C2CC2)cc1 ZINC000751134332 735848579 /nfs/dbraw/zinc/84/85/79/735848579.db2.gz XIVHTJWWAAJAPD-UHFFFAOYSA-N -1 3 359.407 2.926 20 30 FFEDHM C=C(C)COc1cc(CN2CCSC[C@@H](C(=O)[O-])C2)ccc1OC ZINC000901891057 735860931 /nfs/dbraw/zinc/86/09/31/735860931.db2.gz QNDUBTIIVGTERS-HNNXBMFYSA-N -1 3 351.468 2.900 20 30 FFEDHM COc1cc(C=NNC(=S)N[C@H](C)C2CC2)cc(Br)c1[O-] ZINC000751529066 735890733 /nfs/dbraw/zinc/89/07/33/735890733.db2.gz MWIBCBQUZMNUHZ-MRVPVSSYSA-N -1 3 372.288 2.760 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000903122667 736035291 /nfs/dbraw/zinc/03/52/91/736035291.db2.gz CKAXPRJVHIOQGK-NSHDSACASA-N -1 3 367.265 2.512 20 30 FFEDHM Cn1nnc2c1C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000904179933 736230638 /nfs/dbraw/zinc/23/06/38/736230638.db2.gz DISPXSRXCCRZBH-JTQLQIEISA-N -1 3 355.225 2.645 20 30 FFEDHM [O-]c1ccc(Br)cc1/C=N\CC1(C2(O)CCOCC2)CC1 ZINC000905003505 736285356 /nfs/dbraw/zinc/28/53/56/736285356.db2.gz TZVPAYMEVWJFHV-ZDLGFXPLSA-N -1 3 354.244 2.895 20 30 FFEDHM CCOc1cc(/C=C2/C(=O)c3ncnn3[C@@H]2C)cc(Br)c1[O-] ZINC000905080289 736293393 /nfs/dbraw/zinc/29/33/93/736293393.db2.gz JVOSHKDDWRNILQ-OPWUTIMJSA-N -1 3 364.199 2.986 20 30 FFEDHM CC(=NNS(=O)(=O)c1ccccc1)c1ccc(Br)cc1[O-] ZINC000756818525 736364297 /nfs/dbraw/zinc/36/42/97/736364297.db2.gz APAVYIPXGJAKPD-UHFFFAOYSA-N -1 3 369.240 2.857 20 30 FFEDHM CC(=NNC(=S)NCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000756835873 736365419 /nfs/dbraw/zinc/36/54/19/736365419.db2.gz WOLHCVYEEUNCBR-UHFFFAOYSA-N -1 3 370.194 2.905 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnc2nccnc2c1 ZINC000760183433 736620219 /nfs/dbraw/zinc/62/02/19/736620219.db2.gz LLFXIAGONXMQEF-NSHDSACASA-N -1 3 351.753 2.639 20 30 FFEDHM COc1cc(F)c(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1OC ZINC000760252968 736624750 /nfs/dbraw/zinc/62/47/50/736624750.db2.gz HGQGIFOTJNDLIP-UHFFFAOYSA-N -1 3 366.414 2.687 20 30 FFEDHM C=CCCC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750687 736826099 /nfs/dbraw/zinc/82/60/99/736826099.db2.gz GWPYZUCAFBNWOA-LSDHHAIUSA-N -1 3 365.499 2.994 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000770942133 737677719 /nfs/dbraw/zinc/67/77/19/737677719.db2.gz JAMZZJVRUSBNQA-LBPRGKRZSA-N -1 3 362.382 2.943 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(N=Cc2cccc(O)c2O)cc1OC ZINC000917557828 737764576 /nfs/dbraw/zinc/76/45/76/737764576.db2.gz CJSCQXQIHMSSAQ-UHFFFAOYSA-N -1 3 350.396 2.619 20 30 FFEDHM COC1(OC)CCCC[C@H]1[N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC000918061362 737791064 /nfs/dbraw/zinc/79/10/64/737791064.db2.gz PNMWIKSGBQHIJC-QGZVFWFLSA-N -1 3 366.483 2.526 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000773058845 737867102 /nfs/dbraw/zinc/86/71/02/737867102.db2.gz VDJWWXWEYHCGCY-NWDGAFQWSA-N -1 3 367.776 2.818 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1C ZINC000773975210 737949708 /nfs/dbraw/zinc/94/97/08/737949708.db2.gz GBSUBQUDCWHVGN-NSHDSACASA-N -1 3 367.192 2.697 20 30 FFEDHM Cc1cc(Cl)cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1O ZINC000774588067 738003965 /nfs/dbraw/zinc/00/39/65/738003965.db2.gz QHZGKOSDAXNETA-UHFFFAOYSA-N -1 3 369.786 2.575 20 30 FFEDHM CN(C(=O)COC(=O)c1cccc(Cl)c1[O-])C1(C#N)CCCCC1 ZINC000775934623 738144638 /nfs/dbraw/zinc/14/46/38/738144638.db2.gz AYGFERQVEMZETL-UHFFFAOYSA-N -1 3 350.802 2.887 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(C)o1 ZINC000778058968 738349144 /nfs/dbraw/zinc/34/91/44/738349144.db2.gz RMSBSRYNGAELMZ-AWEZNQCLSA-N -1 3 352.387 2.655 20 30 FFEDHM N#CC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000932911413 739535860 /nfs/dbraw/zinc/53/58/60/739535860.db2.gz QJDAUVWURVEINB-SNVBAGLBSA-N -1 3 366.137 2.798 20 30 FFEDHM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(F)ccc1[N+](=O)[O-] ZINC000794042309 739844400 /nfs/dbraw/zinc/84/44/00/739844400.db2.gz LPAYASLKMPLKJP-UHFFFAOYSA-N -1 3 353.306 2.854 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1COCc2cccc(Cl)c21 ZINC000794516947 739899714 /nfs/dbraw/zinc/89/97/14/739899714.db2.gz XMPBQJLCPWJKEN-UHFFFAOYSA-N -1 3 364.854 2.736 20 30 FFEDHM CCOc1ccc(O)c(C=Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)c1 ZINC000794682589 739919133 /nfs/dbraw/zinc/91/91/33/739919133.db2.gz XMFXPQJOOZXHHM-UHFFFAOYSA-N -1 3 352.387 2.589 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000806549977 741068650 /nfs/dbraw/zinc/06/86/50/741068650.db2.gz DZQHDHGDBOOUJO-CROWGAHTSA-N -1 3 354.328 2.759 20 30 FFEDHM C#C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1 ZINC000812201252 741595565 /nfs/dbraw/zinc/59/55/65/741595565.db2.gz QDJJAVHMPPSXMM-JTQLQIEISA-N -1 3 357.723 2.651 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000816602708 742046337 /nfs/dbraw/zinc/04/63/37/742046337.db2.gz JFPVKAKABILJMG-UHFFFAOYSA-N -1 3 371.327 2.937 20 30 FFEDHM O=C(CCCc1cc(Cl)sc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000816754309 742058895 /nfs/dbraw/zinc/05/88/95/742058895.db2.gz ARJJITMPWZMHBR-VIFPVBQESA-N -1 3 351.255 2.874 20 30 FFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc(Cl)c1Br ZINC000820482407 742510780 /nfs/dbraw/zinc/51/07/80/742510780.db2.gz JLYLOJYHQQOICN-SNVBAGLBSA-N -1 3 361.623 2.521 20 30 FFEDHM C=CCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823919706 743000571 /nfs/dbraw/zinc/00/05/71/743000571.db2.gz NQPHTCGLRXZMIS-QMMMGPOBSA-N -1 3 357.361 2.668 20 30 FFEDHM C=CCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823919706 743000580 /nfs/dbraw/zinc/00/05/80/743000580.db2.gz NQPHTCGLRXZMIS-QMMMGPOBSA-N -1 3 357.361 2.668 20 30 FFEDHM CN1CCC(C#N)([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC000826699154 743427486 /nfs/dbraw/zinc/42/74/86/743427486.db2.gz IFFDJYVCMQQMOR-UHFFFAOYSA-N -1 3 372.213 2.645 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2OCC1)C(=O)OCC ZINC000832549347 745717201 /nfs/dbraw/zinc/71/72/01/745717201.db2.gz BVPGABYPOKQOFK-MRXNPFEDSA-N -1 3 365.451 2.627 20 30 FFEDHM CC(C)(O)CO[N-]C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000839744993 746909817 /nfs/dbraw/zinc/90/98/17/746909817.db2.gz JAGNVNIJPBSTOM-UHFFFAOYSA-N -1 3 365.861 2.637 20 30 FFEDHM CCn1ccc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)n1 ZINC000842685184 747659400 /nfs/dbraw/zinc/65/94/00/747659400.db2.gz AZWBORBRPTZORT-LLVKDONJSA-N -1 3 360.801 2.835 20 30 FFEDHM CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc([O-])c(Br)c1 ZINC000844590683 748056786 /nfs/dbraw/zinc/05/67/86/748056786.db2.gz XAJGMSGYXDOMBF-STQMWFEESA-N -1 3 351.248 2.739 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)ccc1OC(C)C ZINC000845816287 748330334 /nfs/dbraw/zinc/33/03/34/748330334.db2.gz SFLOZTLIPQNNKL-UHFFFAOYSA-N -1 3 366.464 2.894 20 30 FFEDHM C=C(C)CC[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000845864052 748339211 /nfs/dbraw/zinc/33/92/11/748339211.db2.gz KTTKALRKSVDIDT-KBPBESRZSA-N -1 3 364.467 2.792 20 30 FFEDHM CCc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848134343 748851361 /nfs/dbraw/zinc/85/13/61/748851361.db2.gz SHGUDRUCYRCVII-LBPRGKRZSA-N -1 3 363.801 2.667 20 30 FFEDHM C=CCCCCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000848476258 748936387 /nfs/dbraw/zinc/93/63/87/748936387.db2.gz ZGUAFKDHBOWDOZ-UHFFFAOYSA-N -1 3 371.933 2.830 20 30 FFEDHM C#C[C@H](CC)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000854070040 750235949 /nfs/dbraw/zinc/23/59/49/750235949.db2.gz HUZKMMOEKQSJIJ-CQSZACIVSA-N -1 3 363.845 2.818 20 30 FFEDHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737489089 945081236 /nfs/dbraw/zinc/08/12/36/945081236.db2.gz VPUPPAPMXHSQQO-UHFFFAOYSA-N -1 3 373.351 2.986 20 30 FFEDHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737489089 945081243 /nfs/dbraw/zinc/08/12/43/945081243.db2.gz VPUPPAPMXHSQQO-UHFFFAOYSA-N -1 3 373.351 2.986 20 30 FFEDHM CCn1c2ccccc2nc1C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821564035 945716643 /nfs/dbraw/zinc/71/66/43/945716643.db2.gz QIGFJPRSRZZEDQ-UHFFFAOYSA-N -1 3 360.425 2.750 20 30 FFEDHM CCn1c2ccccc2nc1C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821564035 945716655 /nfs/dbraw/zinc/71/66/55/945716655.db2.gz QIGFJPRSRZZEDQ-UHFFFAOYSA-N -1 3 360.425 2.750 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823903679 946508875 /nfs/dbraw/zinc/50/88/75/946508875.db2.gz HGHFQXCTPQJNIF-CQSZACIVSA-N -1 3 366.425 2.961 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823903679 946508882 /nfs/dbraw/zinc/50/88/82/946508882.db2.gz HGHFQXCTPQJNIF-CQSZACIVSA-N -1 3 366.425 2.961 20 30 FFEDHM CC(C)(C#N)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824059435 946571710 /nfs/dbraw/zinc/57/17/10/946571710.db2.gz VCRSNTFEASTSKE-UHFFFAOYSA-N -1 3 363.377 2.905 20 30 FFEDHM CC(C)(C#N)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824059435 946571715 /nfs/dbraw/zinc/57/17/15/946571715.db2.gz VCRSNTFEASTSKE-UHFFFAOYSA-N -1 3 363.377 2.905 20 30 FFEDHM C#C[C@@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)[C@@H]1CCCO1 ZINC001573279921 946650176 /nfs/dbraw/zinc/65/01/76/946650176.db2.gz LTVQTWSPKLKANG-CJNGLKHVSA-N -1 3 373.420 2.569 20 30 FFEDHM C#C[C@@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)[C@@H]1CCCO1 ZINC001573279921 946650182 /nfs/dbraw/zinc/65/01/82/946650182.db2.gz LTVQTWSPKLKANG-CJNGLKHVSA-N -1 3 373.420 2.569 20 30 FFEDHM C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCCCC ZINC001573281538 946676748 /nfs/dbraw/zinc/67/67/48/946676748.db2.gz ZSHOMTUAJDUXLS-CQSZACIVSA-N -1 3 364.457 2.773 20 30 FFEDHM C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCCCC ZINC001573281538 946676753 /nfs/dbraw/zinc/67/67/53/946676753.db2.gz ZSHOMTUAJDUXLS-CQSZACIVSA-N -1 3 364.457 2.773 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)c1 ZINC001573290423 946905132 /nfs/dbraw/zinc/90/51/32/946905132.db2.gz JOJJERGELICDON-UHFFFAOYSA-N -1 3 350.357 2.964 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)c1 ZINC001573290423 946905137 /nfs/dbraw/zinc/90/51/37/946905137.db2.gz JOJJERGELICDON-UHFFFAOYSA-N -1 3 350.357 2.964 20 30 FFEDHM C=C(C)CCC(=O)NCCCN(c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573293977 946973237 /nfs/dbraw/zinc/97/32/37/946973237.db2.gz PUJDAMYAGYRNGA-UHFFFAOYSA-N -1 3 371.489 2.648 20 30 FFEDHM C=C(C)CCC(=O)NCCCN(c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573293977 946973245 /nfs/dbraw/zinc/97/32/45/946973245.db2.gz PUJDAMYAGYRNGA-UHFFFAOYSA-N -1 3 371.489 2.648 20 30 FFEDHM C=C(C)CCC(=O)NC[C@@H](CC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573298024 947068487 /nfs/dbraw/zinc/06/84/87/947068487.db2.gz ADJABSBWXCSQMU-GFCCVEGCSA-N -1 3 363.853 2.578 20 30 FFEDHM C=C(C)CCC(=O)NC[C@@H](CC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573298024 947068497 /nfs/dbraw/zinc/06/84/97/947068497.db2.gz ADJABSBWXCSQMU-GFCCVEGCSA-N -1 3 363.853 2.578 20 30 FFEDHM C=C(C)CCC(=O)NC[C@H](CC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573298026 947068659 /nfs/dbraw/zinc/06/86/59/947068659.db2.gz ADJABSBWXCSQMU-LBPRGKRZSA-N -1 3 363.853 2.578 20 30 FFEDHM C=C(C)CCC(=O)NC[C@H](CC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573298026 947068666 /nfs/dbraw/zinc/06/86/66/947068666.db2.gz ADJABSBWXCSQMU-LBPRGKRZSA-N -1 3 363.853 2.578 20 30 FFEDHM C=CC(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573305619 947158157 /nfs/dbraw/zinc/15/81/57/947158157.db2.gz SIYDIMRYPJGSRY-UHFFFAOYSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573305619 947158166 /nfs/dbraw/zinc/15/81/66/947158166.db2.gz SIYDIMRYPJGSRY-UHFFFAOYSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001573319780 947334583 /nfs/dbraw/zinc/33/45/83/947334583.db2.gz QZJRMTVFWDOSES-AWEZNQCLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001573319780 947334594 /nfs/dbraw/zinc/33/45/94/947334594.db2.gz QZJRMTVFWDOSES-AWEZNQCLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573328699 947410966 /nfs/dbraw/zinc/41/09/66/947410966.db2.gz AAQZVQNEWBPDCT-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573328699 947410976 /nfs/dbraw/zinc/41/09/76/947410976.db2.gz AAQZVQNEWBPDCT-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM CC(=O)[C@](C#N)(CCSc1ccncc1-c1nnn[n-]1)c1ccccc1 ZINC001573363431 947713709 /nfs/dbraw/zinc/71/37/09/947713709.db2.gz CUOHQVAGMDAMRI-GOSISDBHSA-N -1 3 364.434 2.794 20 30 FFEDHM CC(=O)[C@](C#N)(CCSc1ccncc1-c1nn[n-]n1)c1ccccc1 ZINC001573363431 947713716 /nfs/dbraw/zinc/71/37/16/947713716.db2.gz CUOHQVAGMDAMRI-GOSISDBHSA-N -1 3 364.434 2.794 20 30 FFEDHM CC(C)(C)C#CC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001573793706 949301820 /nfs/dbraw/zinc/30/18/20/949301820.db2.gz WNDPQQKWMLTJNR-UHFFFAOYSA-N -1 3 370.432 2.506 20 30 FFEDHM CC(C)(C)C#CC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001573793706 949301841 /nfs/dbraw/zinc/30/18/41/949301841.db2.gz WNDPQQKWMLTJNR-UHFFFAOYSA-N -1 3 370.432 2.506 20 30 FFEDHM COc1ccc(C)cc1[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000015818440 972450260 /nfs/dbraw/zinc/45/02/60/972450260.db2.gz ZKIDSNXOGDXTKC-HNNXBMFYSA-N -1 3 367.449 2.990 20 30 FFEDHM Cc1cccc(OCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000007673975 1013194897 /nfs/dbraw/zinc/19/48/97/1013194897.db2.gz YROKFCDQXVBFFU-UHFFFAOYSA-N -1 3 354.406 2.727 20 30 FFEDHM Cc1nc(Nc2ccc(S(=O)(=O)OCC(C)(C)C)cc2)cc(=O)[n-]1 ZINC001176260544 1013673093 /nfs/dbraw/zinc/67/30/93/1013673093.db2.gz KGIGHDMWLWBIJA-UHFFFAOYSA-N -1 3 351.428 2.986 20 30 FFEDHM C#CCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184063863 967577420 /nfs/dbraw/zinc/57/74/20/967577420.db2.gz FZFPIZQAYFHQFY-IBGZPJMESA-N -1 3 350.418 2.783 20 30 FFEDHM C=C[C@@H](C)ONC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875699911 1014064008 /nfs/dbraw/zinc/06/40/08/1014064008.db2.gz BWHHPTJUECASNV-NEPJUHHUSA-N -1 3 371.359 2.875 20 30 FFEDHM COc1ccc(-n2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3)n2)cc1 ZINC000121289292 973798116 /nfs/dbraw/zinc/79/81/16/973798116.db2.gz ZFLOPFLMRZQEJY-KRWDZBQOSA-N -1 3 360.373 2.842 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(Nc2ccc(F)cc2)C1 ZINC000898451524 976461417 /nfs/dbraw/zinc/46/14/17/976461417.db2.gz HRAYWUWGCRSEBL-UHFFFAOYSA-N -1 3 368.412 2.670 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1Cc1ccc(C#N)cc1F ZINC001088471887 979760222 /nfs/dbraw/zinc/76/02/22/979760222.db2.gz JGVSDVGAOCGNNY-ACJLOTCBSA-N -1 3 353.397 2.796 20 30 FFEDHM CN(CCC#N)c1ccc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000877774337 1014723352 /nfs/dbraw/zinc/72/33/52/1014723352.db2.gz HXXQQNZBKANXMZ-QGZVFWFLSA-N -1 3 368.403 2.679 20 30 FFEDHM CCOC(=O)N1CCC([C@@H](C)NCc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001596644665 984653978 /nfs/dbraw/zinc/65/39/78/984653978.db2.gz SLGRDJHBLPWVKX-CYBMUJFWSA-N -1 3 359.426 2.603 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000916953253 990073170 /nfs/dbraw/zinc/07/31/70/990073170.db2.gz KTYOOAPXRKFRNM-AWEZNQCLSA-N -1 3 369.333 2.573 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C(C)(C)C)nc2)cc1 ZINC000808978768 994346950 /nfs/dbraw/zinc/34/69/50/994346950.db2.gz AUQQHXYXIPDELE-HNNXBMFYSA-N -1 3 352.394 2.744 20 30 FFEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1cccc(C2CCC2)c1 ZINC000812560716 995467562 /nfs/dbraw/zinc/46/75/62/995467562.db2.gz OTRBWGNIFLKCMA-UHFFFAOYSA-N -1 3 369.446 2.631 20 30 FFEDHM C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000812747768 995523026 /nfs/dbraw/zinc/52/30/26/995523026.db2.gz HMDCREHTNXNMBD-ZWKOTPCHSA-N -1 3 366.392 2.627 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000728069746 996114518 /nfs/dbraw/zinc/11/45/18/996114518.db2.gz CUUTUUYKDONGBF-UHFFFAOYSA-N -1 3 368.408 2.622 20 30 FFEDHM COc1cc(CN(CC(=O)[O-])Cc2ccc(C#N)c(F)c2)cc(OC)c1 ZINC001599406222 997307395 /nfs/dbraw/zinc/30/73/95/997307395.db2.gz ZVLVPCBEBHXRPR-UHFFFAOYSA-N -1 3 358.369 2.801 20 30 FFEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cn1 ZINC000845442346 998540170 /nfs/dbraw/zinc/54/01/70/998540170.db2.gz LTFIFCBPNFMOIT-HNNXBMFYSA-N -1 3 365.389 2.998 20 30 FFEDHM COC(=O)Nc1ccc(C(=O)OCc2ccc(OCC#N)cc2)cc1[O-] ZINC000745652266 999924303 /nfs/dbraw/zinc/92/43/03/999924303.db2.gz GSQDCYLUIQLVIC-UHFFFAOYSA-N -1 3 356.334 2.830 20 30 FFEDHM COc1ccc(C(=O)CCC(=O)[N-]Oc2cccc(C#N)c2)cc1OC ZINC001171247087 1000417354 /nfs/dbraw/zinc/41/73/54/1000417354.db2.gz NAWGZPDFOKCNEI-UHFFFAOYSA-N -1 3 354.362 2.649 20 30 FFEDHM CCCOc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1OCC ZINC000769819633 1000599204 /nfs/dbraw/zinc/59/92/04/1000599204.db2.gz OSKVZNQAXPOSEJ-UHFFFAOYSA-N -1 3 370.413 2.702 20 30 FFEDHM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2OC)c([N+](=O)[O-])cc1[O-] ZINC000746681057 1001691593 /nfs/dbraw/zinc/69/15/93/1001691593.db2.gz DTQZCJDIGGQWIM-UHFFFAOYSA-N -1 3 362.298 2.672 20 30 FFEDHM N#C[C@H](Cc1ccc(O)cc1)C(=O)Nc1ncc([O-])cc1Br ZINC001183604893 1002328976 /nfs/dbraw/zinc/32/89/76/1002328976.db2.gz CYKFYQKSBRWORL-JTQLQIEISA-N -1 3 362.183 2.576 20 30 FFEDHM O=C(c1cccn2c(=O)[nH]nc12)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235940 1002535109 /nfs/dbraw/zinc/53/51/09/1002535109.db2.gz QVZOIPHVCXJJED-UHFFFAOYSA-N -1 3 353.165 2.773 20 30 FFEDHM N#Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)c1 ZINC001096823200 1016652605 /nfs/dbraw/zinc/65/26/05/1016652605.db2.gz ITXOAQPCNGLJKR-LZQZEXGQSA-N -1 3 365.408 2.938 20 30 FFEDHM N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)s1 ZINC001096823426 1016655962 /nfs/dbraw/zinc/65/59/62/1016655962.db2.gz JYWIMJIILKHBIX-JLZZUVOBSA-N -1 3 353.447 2.861 20 30 FFEDHM COc1nc(OC)c(C(=O)[N-]c2occ(C)c2C#N)cc1Br ZINC001185449323 1002966631 /nfs/dbraw/zinc/96/66/31/1002966631.db2.gz MLJFWGVAJIYWEX-UHFFFAOYSA-N -1 3 366.171 2.887 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2cccc(C#N)c2F)c([O-])c1 ZINC000774940443 1003079318 /nfs/dbraw/zinc/07/93/18/1003079318.db2.gz AIFPJWUBRLJZMI-UHFFFAOYSA-N -1 3 356.353 2.575 20 30 FFEDHM N#Cc1nc[nH]c1NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185929298 1003135075 /nfs/dbraw/zinc/13/50/75/1003135075.db2.gz COCWNFOSVPGUHC-UHFFFAOYSA-N -1 3 369.425 2.696 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(N(C)C)cc1 ZINC000773087773 1003162016 /nfs/dbraw/zinc/16/20/16/1003162016.db2.gz KLCWPANHDLDPGX-GFCCVEGCSA-N -1 3 374.422 2.572 20 30 FFEDHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196701971 1003919435 /nfs/dbraw/zinc/91/94/35/1003919435.db2.gz PPGLWEMWZGLCFF-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM CC(C)(F)c1ncncc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196704921 1003920529 /nfs/dbraw/zinc/92/05/29/1003920529.db2.gz PQKZOJPSABMJLF-UHFFFAOYSA-N -1 3 368.821 2.685 20 30 FFEDHM C=CCCCCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000805221900 1003979107 /nfs/dbraw/zinc/97/91/07/1003979107.db2.gz XYRFCGFVYLLEMZ-UHFFFAOYSA-N -1 3 359.401 2.740 20 30 FFEDHM C=CCCCCCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000805221900 1003979117 /nfs/dbraw/zinc/97/91/17/1003979117.db2.gz XYRFCGFVYLLEMZ-UHFFFAOYSA-N -1 3 359.401 2.740 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)n(Cc2ccccc2C(F)(F)F)n1 ZINC001193113079 1004377732 /nfs/dbraw/zinc/37/77/32/1004377732.db2.gz YXGMEIWAIRROHM-LLVKDONJSA-N -1 3 372.372 2.912 20 30 FFEDHM C=CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([O-])cc2)c(F)c1 ZINC001195795512 1005045905 /nfs/dbraw/zinc/04/59/05/1005045905.db2.gz COGRAEXGAWWWII-UHFFFAOYSA-N -1 3 351.355 2.675 20 30 FFEDHM COC(=O)Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201324000 1005199990 /nfs/dbraw/zinc/19/99/90/1005199990.db2.gz ULRDPFSDOOUEAZ-UHFFFAOYSA-N -1 3 362.382 2.522 20 30 FFEDHM CC(C)(S)C[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201902716 1005280076 /nfs/dbraw/zinc/28/00/76/1005280076.db2.gz UJRZMBNSLZTXSE-UHFFFAOYSA-N -1 3 352.481 2.647 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000855170181 1007152642 /nfs/dbraw/zinc/15/26/42/1007152642.db2.gz MACXELPAFFMZRZ-SWLSCSKDSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800205500 1007201418 /nfs/dbraw/zinc/20/14/18/1007201418.db2.gz KIQDJIAORXDFGH-GFCCVEGCSA-N -1 3 370.434 2.780 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800205500 1007201428 /nfs/dbraw/zinc/20/14/28/1007201428.db2.gz KIQDJIAORXDFGH-GFCCVEGCSA-N -1 3 370.434 2.780 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800205500 1007201434 /nfs/dbraw/zinc/20/14/34/1007201434.db2.gz KIQDJIAORXDFGH-GFCCVEGCSA-N -1 3 370.434 2.780 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cn2)c1 ZINC001190669897 1007725659 /nfs/dbraw/zinc/72/56/59/1007725659.db2.gz AXRFZHQDZGAEPM-UHFFFAOYSA-N -1 3 373.331 2.632 20 30 FFEDHM CSc1ccccc1OCC[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190670966 1007725901 /nfs/dbraw/zinc/72/59/01/1007725901.db2.gz OJNYXNKBZZFPSB-UHFFFAOYSA-N -1 3 366.439 2.777 20 30 FFEDHM CC1(C)C[C@H](C2([N-]S(=O)(=O)c3cc(C#N)ccc3F)CC2)CCO1 ZINC001190681757 1007747340 /nfs/dbraw/zinc/74/73/40/1007747340.db2.gz NAEPECJWUIJAFD-CYBMUJFWSA-N -1 3 352.431 2.713 20 30 FFEDHM COc1cccc2c1OC[C@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001191005520 1007869128 /nfs/dbraw/zinc/86/91/28/1007869128.db2.gz ODYZEOAXTIVGOV-CYBMUJFWSA-N -1 3 364.810 2.632 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ccc([O-])c(F)c1 ZINC000819398078 1008115590 /nfs/dbraw/zinc/11/55/90/1008115590.db2.gz HYUQSQZEVOAZEM-AWEZNQCLSA-N -1 3 365.405 2.735 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)/C=C/c2nccs2)c(C)c1[O-] ZINC001177523815 1008640409 /nfs/dbraw/zinc/64/04/09/1008640409.db2.gz NHUSSFOPMHOPAC-SNAWJCMRSA-N -1 3 357.391 2.857 20 30 FFEDHM C#CC[C@@H](CCOC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000860467751 1009015915 /nfs/dbraw/zinc/01/59/15/1009015915.db2.gz ACDFBWSXJCPNGI-HNNXBMFYSA-N -1 3 354.410 2.708 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001179276556 1009308554 /nfs/dbraw/zinc/30/85/54/1009308554.db2.gz BGIZDRNTNDDEGL-BFUOFWGJSA-N -1 3 357.410 2.849 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CC23CCOCC3)c(C)c1[O-] ZINC001179316855 1009317247 /nfs/dbraw/zinc/31/72/47/1009317247.db2.gz FHAAGVVXWWZADF-CQSZACIVSA-N -1 3 358.394 2.504 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CCOC(C)(C)C2)c(C)c1[O-] ZINC001182025803 1010349785 /nfs/dbraw/zinc/34/97/85/1010349785.db2.gz VKIXZXXUTCEIII-LBPRGKRZSA-N -1 3 360.410 2.893 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(Cc3ccccc3)n2)c1 ZINC000773975099 1010390038 /nfs/dbraw/zinc/39/00/38/1010390038.db2.gz JOKARCIZZNRKLK-GOSISDBHSA-N -1 3 374.400 2.901 20 30 FFEDHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000794591357 1010410884 /nfs/dbraw/zinc/41/08/84/1010410884.db2.gz YEKSVCKVVGAJNZ-OAHLLOKOSA-N -1 3 371.462 2.779 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1cc(CC)ccc1[O-])CC2 ZINC001274785740 1011653963 /nfs/dbraw/zinc/65/39/63/1011653963.db2.gz DKMYSWHQXJJLHL-QGZVFWFLSA-N -1 3 356.466 2.889 20 30 FFEDHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001047488374 1019299214 /nfs/dbraw/zinc/29/92/14/1019299214.db2.gz IPKMREIQODRWGQ-QWHCGFSZSA-N -1 3 369.400 2.512 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](C#N)C3)nc(=O)c2c1C ZINC000932156104 1020725840 /nfs/dbraw/zinc/72/58/40/1020725840.db2.gz VYXZFOHYALZARN-RYUDHWBXSA-N -1 3 374.466 2.766 20 30 FFEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CNC[C@H]2C#N)c1 ZINC001218199449 1033046532 /nfs/dbraw/zinc/04/65/32/1033046532.db2.gz AIPYSVXGPQPUJX-VUPXXRIVSA-N -1 3 364.401 2.787 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C1=O ZINC000751645213 1022887687 /nfs/dbraw/zinc/88/76/87/1022887687.db2.gz QEBZGIKTKSUROT-CQSZACIVSA-N -1 3 368.374 2.565 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C1=O ZINC000751645213 1022887698 /nfs/dbraw/zinc/88/76/98/1022887698.db2.gz QEBZGIKTKSUROT-CQSZACIVSA-N -1 3 368.374 2.565 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccsc2C1 ZINC001122478616 1023295308 /nfs/dbraw/zinc/29/53/08/1023295308.db2.gz JZFOWHUOHUCLKA-UHFFFAOYSA-N -1 3 354.439 2.641 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)OC)n2C[C@H]2CCOC2)c1[O-] ZINC001123051374 1023611854 /nfs/dbraw/zinc/61/18/54/1023611854.db2.gz SPIFUYXOVUHGPR-CQSZACIVSA-N -1 3 358.442 2.803 20 30 FFEDHM C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2cc(F)ccc2[O-])C1=O ZINC000755607804 1023614252 /nfs/dbraw/zinc/61/42/52/1023614252.db2.gz FUJPDAORLXSEGN-LJQANCHMSA-N -1 3 355.369 2.809 20 30 FFEDHM C#CCN(C)c1nnc(CCc2cccc(Cl)c2[O-])n1C[C@H]1CCOC1 ZINC001123254303 1023710039 /nfs/dbraw/zinc/71/00/39/1023710039.db2.gz IXPGQXKGBGADAM-CQSZACIVSA-N -1 3 374.872 2.528 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001121652626 1023905813 /nfs/dbraw/zinc/90/58/13/1023905813.db2.gz WGPUGKWOVGCHJM-HNNXBMFYSA-N -1 3 366.425 2.906 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)C2)c(F)c1 ZINC001141302085 1025813227 /nfs/dbraw/zinc/81/32/27/1025813227.db2.gz OFAYJTNXFZZGBD-LBPRGKRZSA-N -1 3 365.368 2.744 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C=NOC)cc3)nc21 ZINC001158873514 1027168554 /nfs/dbraw/zinc/16/85/54/1027168554.db2.gz KKASVQISEUWVGF-UHFFFAOYSA-N -1 3 366.377 2.972 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001160178713 1027626183 /nfs/dbraw/zinc/62/61/83/1027626183.db2.gz MCSHFKCRYQMEKK-LIRRHRJNSA-N -1 3 367.453 2.782 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cccc(-c2ccc(Cl)nn2)c1 ZINC001160178794 1027626808 /nfs/dbraw/zinc/62/68/08/1027626808.db2.gz NKHMFNFDZBVAEU-XPTSAGLGSA-N -1 3 368.771 2.672 20 30 FFEDHM CCCCN([O-])C(=O)c1nnn(-c2ccccc2Br)c1C ZINC001161832446 1028330179 /nfs/dbraw/zinc/33/01/79/1028330179.db2.gz NJJKCVHLFJHQNW-UHFFFAOYSA-N -1 3 353.220 2.970 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)N[C@@H](c3cncc(F)c3)C3CC3)cc(=O)c2c1 ZINC001154560824 1028356364 /nfs/dbraw/zinc/35/63/64/1028356364.db2.gz RJEXWAVJDFVMCR-LJQANCHMSA-N -1 3 362.364 2.815 20 30 FFEDHM N#Cc1cccc(Oc2nc(Cl)ncc2NCCCc2c[n-][nH]c2=O)c1 ZINC001156285752 1029127899 /nfs/dbraw/zinc/12/78/99/1029127899.db2.gz RSDXDXMVJXGORB-GFCCVEGCSA-N -1 3 370.800 2.718 20 30 FFEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(F)c(F)c1[O-] ZINC001276945241 1033712462 /nfs/dbraw/zinc/71/24/62/1033712462.db2.gz JKUZDBCLWQZYPS-IBGZPJMESA-N -1 3 363.408 2.931 20 30 FFEDHM C#CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001276967218 1033862520 /nfs/dbraw/zinc/86/25/20/1033862520.db2.gz HFJFUMALJSILNW-ZDUSSCGKSA-N -1 3 350.821 2.536 20 30 FFEDHM CCOC(=O)[C@@H]1C[C@@H](Oc2[n-]c(C)cc(=O)c2C#N)c2ccccc2O1 ZINC001225468046 1034265184 /nfs/dbraw/zinc/26/51/84/1034265184.db2.gz IULPZQVMGAIUCS-SJORKVTESA-N -1 3 354.362 2.802 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2Oc2nccc(/C=N/[O-])n2)C1 ZINC001226253356 1034594843 /nfs/dbraw/zinc/59/48/43/1034594843.db2.gz GYRWSVDYDAHVRQ-DIFHSRHFSA-N -1 3 362.430 2.843 20 30 FFEDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226253459 1034595350 /nfs/dbraw/zinc/59/53/50/1034595350.db2.gz JDEXTDQJRQCNNQ-FWNZLJFCSA-N -1 3 350.419 2.699 20 30 FFEDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226253167 1034595585 /nfs/dbraw/zinc/59/55/85/1034595585.db2.gz FMWFVZUTJGWIFW-OIVLRUALSA-N -1 3 350.419 2.699 20 30 FFEDHM C=C(C)CN1CC2(CN(Cc3ccc4ccccc4c3[O-])C2)OCC1=O ZINC001277223691 1035628991 /nfs/dbraw/zinc/62/89/91/1035628991.db2.gz SCWVYGKNQNXUKG-UHFFFAOYSA-N -1 3 352.434 2.535 20 30 FFEDHM N#CCCN(CCC#N)Cc1ccc([O-])c(I)c1 ZINC001232869776 1036118628 /nfs/dbraw/zinc/11/86/28/1036118628.db2.gz INUWUIOIYWXSHS-UHFFFAOYSA-N -1 3 355.179 2.626 20 30 FFEDHM COCCOc1cccc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)c1 ZINC001233387522 1036589711 /nfs/dbraw/zinc/58/97/11/1036589711.db2.gz MMENSQYEYRBERA-UHFFFAOYSA-N -1 3 367.449 2.611 20 30 FFEDHM CCC(=O)[C@H]1C[C@@H](Oc2cc([O-])cc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001234143602 1036939444 /nfs/dbraw/zinc/93/94/44/1036939444.db2.gz FBEOWMWATFLNGS-HZPDHXFCSA-N -1 3 360.410 3.000 20 30 FFEDHM C=CCOC[C@@H]1CN(Cc2occc2[S-])Cc2nnn(CC3CC3)c21 ZINC001237178489 1038465307 /nfs/dbraw/zinc/46/53/07/1038465307.db2.gz WZAVCMMUDJOAKU-AWEZNQCLSA-N -1 3 360.483 2.872 20 30 FFEDHM C=C(C)CN1CCC2(CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)C1=O ZINC001276612417 1038654408 /nfs/dbraw/zinc/65/44/08/1038654408.db2.gz ZOSSKVIJFXJVQO-UHFFFAOYSA-N -1 3 360.429 2.915 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2Br)cc1 ZINC001258038786 1039138188 /nfs/dbraw/zinc/13/81/88/1039138188.db2.gz CBWNLOANNRBSSP-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258116345 1039186663 /nfs/dbraw/zinc/18/66/63/1039186663.db2.gz JSSYOGRMFJZQJJ-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]C1(C#N)CCCCCC1)C(=O)C2 ZINC001258988278 1039643591 /nfs/dbraw/zinc/64/35/91/1039643591.db2.gz AAUYOGIOAGIQTK-RDTXWAMCSA-N -1 3 352.500 2.918 20 30 FFEDHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)cc1 ZINC001259324617 1039914337 /nfs/dbraw/zinc/91/43/37/1039914337.db2.gz MDWQEPUESBCKOU-UHFFFAOYSA-N -1 3 362.382 2.604 20 30 FFEDHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418012 1039986941 /nfs/dbraw/zinc/98/69/41/1039986941.db2.gz ZEIMZXFQMFDITQ-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM COc1ccc(CS(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)cc1 ZINC001259901754 1040283213 /nfs/dbraw/zinc/28/32/13/1040283213.db2.gz MWDUQAVBTPDHJL-UHFFFAOYSA-N -1 3 356.325 2.926 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC1 ZINC001213814435 1040945395 /nfs/dbraw/zinc/94/53/95/1040945395.db2.gz NSPMJNSOYXKXMM-UHFFFAOYSA-N -1 3 363.664 2.722 20 30 FFEDHM O=C(OCc1ccccc1-c1ccc(F)cc1[O-])ON1C(=O)CCC1=O ZINC001242220650 1044710704 /nfs/dbraw/zinc/71/07/04/1044710704.db2.gz JGNKRYWARNSQNB-UHFFFAOYSA-N -1 3 359.309 2.916 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cc(C#N)cs1 ZINC001318985042 1044970372 /nfs/dbraw/zinc/97/03/72/1044970372.db2.gz AEQDGGAGENUBLA-UHFFFAOYSA-N -1 3 356.432 2.974 20 30 FFEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccnn1CC ZINC001319457429 1045156016 /nfs/dbraw/zinc/15/60/16/1045156016.db2.gz OWSYPDBOFPQBOH-UHFFFAOYSA-N -1 3 369.450 2.813 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1ccc(C)c(C)c1 ZINC001320295214 1045385024 /nfs/dbraw/zinc/38/50/24/1045385024.db2.gz WDMHBKCSEFNIRP-GOSISDBHSA-N -1 3 372.446 2.562 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1F ZINC001324650786 1046147041 /nfs/dbraw/zinc/14/70/41/1046147041.db2.gz ZFKQRFVNPJIJTG-UHFFFAOYSA-N -1 3 366.345 2.618 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001540337935 1070851993 /nfs/dbraw/zinc/85/19/93/1070851993.db2.gz JFBNEGHGVUKUTJ-KRWDZBQOSA-N -1 3 350.422 2.534 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCc2ccc(F)cc2C1 ZINC001339867357 1050284352 /nfs/dbraw/zinc/28/43/52/1050284352.db2.gz ORWBLXAUTAMCIX-UHFFFAOYSA-N -1 3 359.796 2.604 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCc2ccc(F)cc2C1 ZINC001339867357 1050284356 /nfs/dbraw/zinc/28/43/56/1050284356.db2.gz ORWBLXAUTAMCIX-UHFFFAOYSA-N -1 3 359.796 2.604 20 30 FFEDHM COCCOc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001341882441 1050487858 /nfs/dbraw/zinc/48/78/58/1050487858.db2.gz CSWTVRRSKUTHGD-INIZCTEOSA-N -1 3 362.389 2.727 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001342024860 1050622704 /nfs/dbraw/zinc/62/27/04/1050622704.db2.gz JRHYQIKESBJMRU-IERDGZPVSA-N -1 3 374.448 2.795 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)cn1 ZINC001303333695 1051332297 /nfs/dbraw/zinc/33/22/97/1051332297.db2.gz WUEWEXUGDWPSMC-UHFFFAOYSA-N -1 3 364.430 2.836 20 30 FFEDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304133087 1051551621 /nfs/dbraw/zinc/55/16/21/1051551621.db2.gz UISXRGOOVXQRNN-SECBINFHSA-N -1 3 367.331 2.730 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1(Br)CC1 ZINC001343445882 1052238113 /nfs/dbraw/zinc/23/81/13/1052238113.db2.gz FYVAQRCTVOLFPT-UHFFFAOYSA-N -1 3 353.216 2.679 20 30 FFEDHM CCCCCCCS(=O)(=O)[N-]C1(C(=O)OCC)Cc2ccccc2C1 ZINC001309134945 1052561484 /nfs/dbraw/zinc/56/14/84/1052561484.db2.gz LZQXCENDZHKPAQ-UHFFFAOYSA-N -1 3 367.511 2.977 20 30 FFEDHM Cc1nn2c(c1Cl)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC001338252525 1055359944 /nfs/dbraw/zinc/35/99/44/1055359944.db2.gz IRAIAIIHEWMXJJ-UHFFFAOYSA-N -1 3 373.844 2.804 20 30 FFEDHM C=CCn1cc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)nn1 ZINC001350590878 1055851146 /nfs/dbraw/zinc/85/11/46/1055851146.db2.gz OAVCDOFNSYRMAJ-UHFFFAOYSA-N -1 3 358.452 2.860 20 30 FFEDHM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCN(C2CCC2)CC1 ZINC001338981881 1055985926 /nfs/dbraw/zinc/98/59/26/1055985926.db2.gz QIFILDUZNFKYMQ-UHFFFAOYSA-N -1 3 374.876 2.560 20 30 FFEDHM C#CC[C@H]1CCCN(c2nnc(-c3nn(-c4ccccc4)cc3[O-])n2C)C1 ZINC001339472569 1056487823 /nfs/dbraw/zinc/48/78/23/1056487823.db2.gz IATKSUSCMFUEAG-HNNXBMFYSA-N -1 3 362.437 2.613 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnn1CC1CCC1 ZINC001545053419 1071728026 /nfs/dbraw/zinc/72/80/26/1071728026.db2.gz WHBKFQGAZJVWSN-UHFFFAOYSA-N -1 3 353.426 2.844 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000848129982 1059088096 /nfs/dbraw/zinc/08/80/96/1059088096.db2.gz DDQLNNUTXBXXTR-QGZVFWFLSA-N -1 3 368.437 2.775 20 30 FFEDHM N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)cc1 ZINC000848139615 1059115516 /nfs/dbraw/zinc/11/55/16/1059115516.db2.gz ZRQWJGDIDVXGTH-SFHVURJKSA-N -1 3 365.389 2.655 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](CCF)C1 ZINC001515001190 1059209341 /nfs/dbraw/zinc/20/93/41/1059209341.db2.gz BRNXBNNXBKNAPL-CQSZACIVSA-N -1 3 360.437 2.901 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001515002637 1059211162 /nfs/dbraw/zinc/21/11/62/1059211162.db2.gz JPYSBQCWWSNZEU-OAHLLOKOSA-N -1 3 372.473 2.719 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(CO)CC1 ZINC001520197697 1059476390 /nfs/dbraw/zinc/47/63/90/1059476390.db2.gz CWMRJDCTMGUXDH-UHFFFAOYSA-N -1 3 371.466 2.655 20 30 FFEDHM CCOC(=O)c1cnn2c1nccc2C(=O)N([O-])Cc1ccccc1Cl ZINC001457992687 1060485886 /nfs/dbraw/zinc/48/58/86/1060485886.db2.gz IVDSQOXTHBMTPM-UHFFFAOYSA-N -1 3 374.784 2.591 20 30 FFEDHM Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC001475333928 1061052459 /nfs/dbraw/zinc/05/24/59/1061052459.db2.gz AFQZDXLTJVUXQH-INIZCTEOSA-N -1 3 369.450 2.751 20 30 FFEDHM C=C(C)[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-])OCC ZINC001522157211 1061637650 /nfs/dbraw/zinc/63/76/50/1061637650.db2.gz CZBXPFOQCVIRDZ-WMEZAQDKSA-N -1 3 372.465 2.625 20 30 FFEDHM CCOC(=O)c1ncc(C(=O)[N-]c2nc3c(cc2C#N)C[C@H](C)CC3)s1 ZINC001463398940 1062087319 /nfs/dbraw/zinc/08/73/19/1062087319.db2.gz KYXOMKCOIHMJLA-SNVBAGLBSA-N -1 3 370.434 2.964 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccccc2C1 ZINC001523776481 1062617382 /nfs/dbraw/zinc/61/73/82/1062617382.db2.gz BGWXRMNGVRZBTM-UHFFFAOYSA-N -1 3 362.437 2.888 20 30 FFEDHM COC(=O)c1cc([N-]C(=O)c2ncc(C#N)cc2Cl)c(C)c([N+](=O)[O-])c1 ZINC001525140611 1063166569 /nfs/dbraw/zinc/16/65/69/1063166569.db2.gz MDQHQOBKGMZWLI-UHFFFAOYSA-N -1 3 374.740 2.862 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[n-]n1 ZINC001469327262 1064128643 /nfs/dbraw/zinc/12/86/43/1064128643.db2.gz VWXSGIFEEDBRQH-CQSZACIVSA-N -1 3 365.393 2.558 20 30 FFEDHM C[C@@H]1CC(=O)N(C)c2ccc(Nc3c(C#N)cccc3-c3nnn[n-]3)cc21 ZINC001575938979 1078179343 /nfs/dbraw/zinc/17/93/43/1078179343.db2.gz NZPCVLMIPDJGCE-LLVKDONJSA-N -1 3 359.393 2.952 20 30 FFEDHM C[C@@H]1CC(=O)N(C)c2ccc(Nc3c(C#N)cccc3-c3nn[n-]n3)cc21 ZINC001575938979 1078179345 /nfs/dbraw/zinc/17/93/45/1078179345.db2.gz NZPCVLMIPDJGCE-LLVKDONJSA-N -1 3 359.393 2.952 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCc2ccc(Cl)cc2[O-])C1 ZINC001474424757 1065518061 /nfs/dbraw/zinc/51/80/61/1065518061.db2.gz PKQYVLJEKDUPIG-OCCSQVGLSA-N -1 3 351.834 2.894 20 30 FFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(CCC#N)cc1 ZINC001579247362 1078600673 /nfs/dbraw/zinc/60/06/73/1078600673.db2.gz URZVCYURGRGJFD-UHFFFAOYSA-N -1 3 361.409 2.987 20 30 FFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(CCC#N)cc1 ZINC001579247362 1078600681 /nfs/dbraw/zinc/60/06/81/1078600681.db2.gz URZVCYURGRGJFD-UHFFFAOYSA-N -1 3 361.409 2.987 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC001579886835 1078708227 /nfs/dbraw/zinc/70/82/27/1078708227.db2.gz WFSPENNCTKJVLE-GFCCVEGCSA-N -1 3 363.377 2.531 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC001579886835 1078708232 /nfs/dbraw/zinc/70/82/32/1078708232.db2.gz WFSPENNCTKJVLE-GFCCVEGCSA-N -1 3 363.377 2.531 20 30 FFEDHM COc1cc(Oc2cc(C#N)c(Br)cn2)ccc1-c1nnn[n-]1 ZINC001579937644 1078721133 /nfs/dbraw/zinc/72/11/33/1078721133.db2.gz QKBOBBHMTOALIE-UHFFFAOYSA-N -1 3 373.170 2.697 20 30 FFEDHM COc1cc(Oc2cc(C#N)c(Br)cn2)ccc1-c1nn[n-]n1 ZINC001579937644 1078721141 /nfs/dbraw/zinc/72/11/41/1078721141.db2.gz QKBOBBHMTOALIE-UHFFFAOYSA-N -1 3 373.170 2.697 20 30 FFEDHM COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1-c1nnn[n-]1 ZINC001580043593 1078738041 /nfs/dbraw/zinc/73/80/41/1078738041.db2.gz LDCVRIOSJRMZSE-UHFFFAOYSA-N -1 3 362.393 2.929 20 30 FFEDHM COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1-c1nn[n-]n1 ZINC001580043593 1078738050 /nfs/dbraw/zinc/73/80/50/1078738050.db2.gz LDCVRIOSJRMZSE-UHFFFAOYSA-N -1 3 362.393 2.929 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)Nc1cc2ccccc2cc1C#N ZINC001580625963 1078842005 /nfs/dbraw/zinc/84/20/05/1078842005.db2.gz JQSIRDJBURSNFL-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)Nc1cc2ccccc2cc1C#N ZINC001580625963 1078842012 /nfs/dbraw/zinc/84/20/12/1078842012.db2.gz JQSIRDJBURSNFL-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 ZINC001581133058 1078920531 /nfs/dbraw/zinc/92/05/31/1078920531.db2.gz JVBAJYWGAIIQCW-UHFFFAOYSA-N -1 3 352.785 2.977 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 ZINC001581133058 1078920537 /nfs/dbraw/zinc/92/05/37/1078920537.db2.gz JVBAJYWGAIIQCW-UHFFFAOYSA-N -1 3 352.785 2.977 20 30 FFEDHM N#CCSc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001581858816 1079008326 /nfs/dbraw/zinc/00/83/26/1079008326.db2.gz XAGAFVGQRJPCJN-UHFFFAOYSA-N -1 3 368.397 2.551 20 30 FFEDHM N#CCSc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001581858816 1079008336 /nfs/dbraw/zinc/00/83/36/1079008336.db2.gz XAGAFVGQRJPCJN-UHFFFAOYSA-N -1 3 368.397 2.551 20 30 FFEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCC1 ZINC001581856772 1079009701 /nfs/dbraw/zinc/00/97/01/1079009701.db2.gz CPFUUDFSVYHOEL-UHFFFAOYSA-N -1 3 361.365 2.686 20 30 FFEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCC1 ZINC001581856772 1079009706 /nfs/dbraw/zinc/00/97/06/1079009706.db2.gz CPFUUDFSVYHOEL-UHFFFAOYSA-N -1 3 361.365 2.686 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)N[C@@H]3CCN([O-])C3=O)c3ccccc3n2)o1 ZINC001556749837 1075771554 /nfs/dbraw/zinc/77/15/54/1075771554.db2.gz RIERAVSXYFNWOL-OAHLLOKOSA-N -1 3 351.362 2.523 20 30 FFEDHM O=C([C@@H]1C[C@H]1c1ccccc1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001559033174 1076118068 /nfs/dbraw/zinc/11/80/68/1076118068.db2.gz YQAISMZYAPOEGC-ZWKOTPCHSA-N -1 3 364.401 2.694 20 30 FFEDHM CCO[C@@H]1C[C@@H](N(C)Cc2cc(=O)n3[n-]cc(C#N)c3n2)C12CCCCC2 ZINC001559574394 1076174282 /nfs/dbraw/zinc/17/42/82/1076174282.db2.gz YLVJSLXKXPKIAI-IAGOWNOFSA-N -1 3 369.469 2.866 20 30 FFEDHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)c1 ZINC001561149732 1076339170 /nfs/dbraw/zinc/33/91/70/1076339170.db2.gz GEHGVCYDVGRBLF-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC001561952157 1076452300 /nfs/dbraw/zinc/45/23/00/1076452300.db2.gz VUPMRYOUQFCOIU-UHFFFAOYSA-N -1 3 373.228 2.582 20 30 FFEDHM N#Cc1ccc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1[O-] ZINC001568827529 1077113643 /nfs/dbraw/zinc/11/36/43/1077113643.db2.gz NOFYJNNWKZMNFK-UHFFFAOYSA-N -1 3 367.796 2.675 20 30 FFEDHM C=CCCCCCN(C)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001586584144 1079652097 /nfs/dbraw/zinc/65/20/97/1079652097.db2.gz YLQZHAIFHIVRQE-UHFFFAOYSA-N -1 3 359.401 2.692 20 30 FFEDHM C=CCCCCCN(C)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001586584144 1079652101 /nfs/dbraw/zinc/65/21/01/1079652101.db2.gz YLQZHAIFHIVRQE-UHFFFAOYSA-N -1 3 359.401 2.692 20 30 FFEDHM Brc1cccc(-c2nnn[n-]2)c1NCC#C[C@@H]1CCCCO1 ZINC001588324411 1079982209 /nfs/dbraw/zinc/98/22/09/1079982209.db2.gz QFLDMKLYGBCEKB-NSHDSACASA-N -1 3 362.231 2.614 20 30 FFEDHM Brc1cccc(-c2nn[n-]n2)c1NCC#C[C@@H]1CCCCO1 ZINC001588324411 1079982217 /nfs/dbraw/zinc/98/22/17/1079982217.db2.gz QFLDMKLYGBCEKB-NSHDSACASA-N -1 3 362.231 2.614 20 30 FFEDHM C#C[C@@H](CC)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588326244 1079983846 /nfs/dbraw/zinc/98/38/46/1079983846.db2.gz HSQGELTZSNTPJR-KRWDZBQOSA-N -1 3 361.405 2.587 20 30 FFEDHM C#C[C@@H](CC)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588326244 1079983849 /nfs/dbraw/zinc/98/38/49/1079983849.db2.gz HSQGELTZSNTPJR-KRWDZBQOSA-N -1 3 361.405 2.587 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C)c1ccc(F)cc1 ZINC001588329949 1079985328 /nfs/dbraw/zinc/98/53/28/1079985328.db2.gz RNNBDZAZWHVACJ-HNNXBMFYSA-N -1 3 368.347 2.949 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C)c1ccc(F)cc1 ZINC001588329949 1079985333 /nfs/dbraw/zinc/98/53/33/1079985333.db2.gz RNNBDZAZWHVACJ-HNNXBMFYSA-N -1 3 368.347 2.949 20 30 FFEDHM C#C[C@H](NC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001588329369 1079985940 /nfs/dbraw/zinc/98/59/40/1079985940.db2.gz FAUYDUYZXUFKLK-RBUKOAKNSA-N -1 3 372.432 2.918 20 30 FFEDHM C#C[C@H](NC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001588329369 1079985948 /nfs/dbraw/zinc/98/59/48/1079985948.db2.gz FAUYDUYZXUFKLK-RBUKOAKNSA-N -1 3 372.432 2.918 20 30 FFEDHM C#C[C@@H](Nc1cc(-c2nnn[n-]2)c(Br)cn1)c1ccc(F)cc1 ZINC001588328440 1079986156 /nfs/dbraw/zinc/98/61/56/1079986156.db2.gz HCHDJKUEUUWQPI-CYBMUJFWSA-N -1 3 373.189 2.950 20 30 FFEDHM C#C[C@@H](Nc1cc(-c2nn[n-]n2)c(Br)cn1)c1ccc(F)cc1 ZINC001588328440 1079986160 /nfs/dbraw/zinc/98/61/60/1079986160.db2.gz HCHDJKUEUUWQPI-CYBMUJFWSA-N -1 3 373.189 2.950 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588334073 1079987176 /nfs/dbraw/zinc/98/71/76/1079987176.db2.gz NKLAOMWNUJEZHH-INIZCTEOSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588334073 1079987184 /nfs/dbraw/zinc/98/71/84/1079987184.db2.gz NKLAOMWNUJEZHH-INIZCTEOSA-N -1 3 362.393 2.761 20 30 FFEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001588332630 1079987643 /nfs/dbraw/zinc/98/76/43/1079987643.db2.gz OMJMGDJEFNQJIF-JTQLQIEISA-N -1 3 364.331 2.763 20 30 FFEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001588332630 1079987647 /nfs/dbraw/zinc/98/76/47/1079987647.db2.gz OMJMGDJEFNQJIF-JTQLQIEISA-N -1 3 364.331 2.763 20 30 FFEDHM C#CCC1(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCC1 ZINC001588334650 1079989089 /nfs/dbraw/zinc/98/90/89/1079989089.db2.gz FFCQKRWIHCGTKL-UHFFFAOYSA-N -1 3 374.448 2.950 20 30 FFEDHM C#CCC1(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001588334649 1079989182 /nfs/dbraw/zinc/98/91/82/1079989182.db2.gz FBOBDYXDVVCLDI-UHFFFAOYSA-N -1 3 356.405 2.531 20 30 FFEDHM C#CCC1(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001588334649 1079989184 /nfs/dbraw/zinc/98/91/84/1079989184.db2.gz FBOBDYXDVVCLDI-UHFFFAOYSA-N -1 3 356.405 2.531 20 30 FFEDHM C#CCN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001588349335 1079992787 /nfs/dbraw/zinc/99/27/87/1079992787.db2.gz MXTJCFSQTFFSSI-UHFFFAOYSA-N -1 3 366.356 2.895 20 30 FFEDHM C#CCN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001588349335 1079992795 /nfs/dbraw/zinc/99/27/95/1079992795.db2.gz MXTJCFSQTFFSSI-UHFFFAOYSA-N -1 3 366.356 2.895 20 30 FFEDHM C#Cc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC001588373191 1079996641 /nfs/dbraw/zinc/99/66/41/1079996641.db2.gz DFFKEVLKVBLFGC-GOSISDBHSA-N -1 3 361.405 2.890 20 30 FFEDHM C#Cc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC001588373191 1079996651 /nfs/dbraw/zinc/99/66/51/1079996651.db2.gz DFFKEVLKVBLFGC-GOSISDBHSA-N -1 3 361.405 2.890 20 30 FFEDHM C#Cc1cccc(NC(=O)c2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC001588375208 1079997275 /nfs/dbraw/zinc/99/72/75/1079997275.db2.gz KAOILJAXUVHPJF-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C#Cc1cccc(NC(=O)c2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC001588375208 1079997281 /nfs/dbraw/zinc/99/72/81/1079997281.db2.gz KAOILJAXUVHPJF-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)c2cnc(C(F)(F)F)c(-c3nnn[n-]3)c2)c1 ZINC001588374821 1079997386 /nfs/dbraw/zinc/99/73/86/1079997386.db2.gz POFLQOIHXPLWDO-UHFFFAOYSA-N -1 3 372.310 2.538 20 30 FFEDHM C#Cc1ccccc1CC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC001588376777 1079997929 /nfs/dbraw/zinc/99/79/29/1079997929.db2.gz KQJZLYFWQVXLBF-UHFFFAOYSA-N -1 3 351.435 2.962 20 30 FFEDHM C#Cc1ccccc1CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC001588376777 1079997932 /nfs/dbraw/zinc/99/79/32/1079997932.db2.gz KQJZLYFWQVXLBF-UHFFFAOYSA-N -1 3 351.435 2.962 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588392952 1080005358 /nfs/dbraw/zinc/00/53/58/1080005358.db2.gz LMOHIGNAFHGVQO-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588392952 1080005366 /nfs/dbraw/zinc/00/53/66/1080005366.db2.gz LMOHIGNAFHGVQO-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588411762 1080015863 /nfs/dbraw/zinc/01/58/63/1080015863.db2.gz JGDTVVKYGPCOHX-OAHLLOKOSA-N -1 3 369.473 2.659 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588411762 1080015873 /nfs/dbraw/zinc/01/58/73/1080015873.db2.gz JGDTVVKYGPCOHX-OAHLLOKOSA-N -1 3 369.473 2.659 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](C)CCCNc1snc(C)c1-c1nnn[n-]1 ZINC001588415227 1080017001 /nfs/dbraw/zinc/01/70/01/1080017001.db2.gz GHRPYAYETGWIRQ-NSHDSACASA-N -1 3 363.491 2.685 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](C)CCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588415219 1080017241 /nfs/dbraw/zinc/01/72/41/1080017241.db2.gz GGAGQRPOFRNMHK-ZDUSSCGKSA-N -1 3 357.462 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](C)CCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588415219 1080017248 /nfs/dbraw/zinc/01/72/48/1080017248.db2.gz GGAGQRPOFRNMHK-ZDUSSCGKSA-N -1 3 357.462 2.623 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)c1 ZINC001588429346 1080024643 /nfs/dbraw/zinc/02/46/43/1080024643.db2.gz IPXPOBLPXXZURD-UHFFFAOYSA-N -1 3 350.382 2.777 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)c1 ZINC001588429346 1080024651 /nfs/dbraw/zinc/02/46/51/1080024651.db2.gz IPXPOBLPXXZURD-UHFFFAOYSA-N -1 3 350.382 2.777 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]1C ZINC001588437437 1080026765 /nfs/dbraw/zinc/02/67/65/1080026765.db2.gz YYAZXVCEIDOMOS-CYBMUJFWSA-N -1 3 350.430 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]1C ZINC001588437437 1080026772 /nfs/dbraw/zinc/02/67/72/1080026772.db2.gz YYAZXVCEIDOMOS-CYBMUJFWSA-N -1 3 350.430 2.690 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588443262 1080029219 /nfs/dbraw/zinc/02/92/19/1080029219.db2.gz WXNQFDFGUCAUDC-CZUORRHYSA-N -1 3 357.414 2.574 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588443262 1080029231 /nfs/dbraw/zinc/02/92/31/1080029231.db2.gz WXNQFDFGUCAUDC-CZUORRHYSA-N -1 3 357.414 2.574 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588456781 1080033183 /nfs/dbraw/zinc/03/31/83/1080033183.db2.gz VMHACDFYBHMSNU-KSZLIROESA-N -1 3 364.453 2.545 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588474054 1080040305 /nfs/dbraw/zinc/04/03/05/1080040305.db2.gz BOWWNYMLSXMIHE-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588474054 1080040311 /nfs/dbraw/zinc/04/03/11/1080040311.db2.gz BOWWNYMLSXMIHE-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)NC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC001588474911 1080041392 /nfs/dbraw/zinc/04/13/92/1080041392.db2.gz KSDAPRPLBSSCKA-CQSZACIVSA-N -1 3 360.437 2.771 20 30 FFEDHM C=CC(C)(C)C(=O)NC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC001588474911 1080041400 /nfs/dbraw/zinc/04/14/00/1080041400.db2.gz KSDAPRPLBSSCKA-CQSZACIVSA-N -1 3 360.437 2.771 20 30 FFEDHM C=CC(C)(C)C(=O)NC[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588475645 1080042203 /nfs/dbraw/zinc/04/22/03/1080042203.db2.gz QMXUKYVLHOGTMH-CYBMUJFWSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC(C)(C)C(=O)NC[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588475645 1080042213 /nfs/dbraw/zinc/04/22/13/1080042213.db2.gz QMXUKYVLHOGTMH-CYBMUJFWSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCCN(c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588483372 1080045650 /nfs/dbraw/zinc/04/56/50/1080045650.db2.gz HYLZCGPFNMCZHT-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCCN(c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588483372 1080045656 /nfs/dbraw/zinc/04/56/56/1080045656.db2.gz HYLZCGPFNMCZHT-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001588482206 1080046409 /nfs/dbraw/zinc/04/64/09/1080046409.db2.gz SKZLRKOOGKFMIC-ZDUSSCGKSA-N -1 3 374.514 2.563 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001588482206 1080046416 /nfs/dbraw/zinc/04/64/16/1080046416.db2.gz SKZLRKOOGKFMIC-ZDUSSCGKSA-N -1 3 374.514 2.563 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588484333 1080047685 /nfs/dbraw/zinc/04/76/85/1080047685.db2.gz AYJCIDOPBDSKTO-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588484333 1080047694 /nfs/dbraw/zinc/04/76/94/1080047694.db2.gz AYJCIDOPBDSKTO-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCCN(c1ncccc1-c1nnn[n-]1)C(C)C ZINC001588483728 1080047992 /nfs/dbraw/zinc/04/79/92/1080047992.db2.gz PYSIBGKSJGHLQG-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCCN(c1ncccc1-c1nn[n-]n1)C(C)C ZINC001588483728 1080047996 /nfs/dbraw/zinc/04/79/96/1080047996.db2.gz PYSIBGKSJGHLQG-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=CC(C)(C)CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588486007 1080049665 /nfs/dbraw/zinc/04/96/65/1080049665.db2.gz AZOBWCMNPQKYFW-INIZCTEOSA-N -1 3 354.458 2.554 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588488926 1080051331 /nfs/dbraw/zinc/05/13/31/1080051331.db2.gz QYCWRJCLZAXFRL-IBGZPJMESA-N -1 3 371.489 2.761 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588488926 1080051338 /nfs/dbraw/zinc/05/13/38/1080051338.db2.gz QYCWRJCLZAXFRL-IBGZPJMESA-N -1 3 371.489 2.761 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588491496 1080053852 /nfs/dbraw/zinc/05/38/52/1080053852.db2.gz HGMGBDWDLVDJHM-HNAYVOBHSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588491496 1080053864 /nfs/dbraw/zinc/05/38/64/1080053864.db2.gz HGMGBDWDLVDJHM-HNAYVOBHSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588494010 1080056575 /nfs/dbraw/zinc/05/65/75/1080056575.db2.gz NTANSRRKJIADJD-SFHVURJKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588494010 1080056583 /nfs/dbraw/zinc/05/65/83/1080056583.db2.gz NTANSRRKJIADJD-SFHVURJKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588495275 1080057879 /nfs/dbraw/zinc/05/78/79/1080057879.db2.gz ASQCSOBYTXVEKR-BEFAXECRSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588495275 1080057885 /nfs/dbraw/zinc/05/78/85/1080057885.db2.gz ASQCSOBYTXVEKR-BEFAXECRSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588497200 1080060034 /nfs/dbraw/zinc/06/00/34/1080060034.db2.gz XOAHWORGTXUQNY-KRWDZBQOSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588497200 1080060045 /nfs/dbraw/zinc/06/00/45/1080060045.db2.gz XOAHWORGTXUQNY-KRWDZBQOSA-N -1 3 354.370 2.562 20 30 FFEDHM C#Cc1ccc(CN2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001588516646 1080068769 /nfs/dbraw/zinc/06/87/69/1080068769.db2.gz UUYGUHAQXKVYTO-DKTYTTGXSA-N -1 3 369.461 2.922 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001588518570 1080069659 /nfs/dbraw/zinc/06/96/59/1080069659.db2.gz GMQNWWMRNGEULX-CJNGLKHVSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001588518570 1080069667 /nfs/dbraw/zinc/06/96/67/1080069667.db2.gz GMQNWWMRNGEULX-CJNGLKHVSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588521490 1080074658 /nfs/dbraw/zinc/07/46/58/1080074658.db2.gz OCEAWLIFMGUPKK-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588521490 1080074665 /nfs/dbraw/zinc/07/46/65/1080074665.db2.gz OCEAWLIFMGUPKK-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](COC)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588526586 1080078837 /nfs/dbraw/zinc/07/88/37/1080078837.db2.gz ZDZOUWBQRRSLMJ-HNNXBMFYSA-N -1 3 365.393 2.590 20 30 FFEDHM C=C[C@@H](COC)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588526586 1080078845 /nfs/dbraw/zinc/07/88/45/1080078845.db2.gz ZDZOUWBQRRSLMJ-HNNXBMFYSA-N -1 3 365.393 2.590 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588532482 1080082183 /nfs/dbraw/zinc/08/21/83/1080082183.db2.gz XLYIQBZGHIOAPZ-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588532482 1080082196 /nfs/dbraw/zinc/08/21/96/1080082196.db2.gz XLYIQBZGHIOAPZ-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588532456 1080082336 /nfs/dbraw/zinc/08/23/36/1080082336.db2.gz WOSSCPKBYLLMBU-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588532456 1080082344 /nfs/dbraw/zinc/08/23/44/1080082344.db2.gz WOSSCPKBYLLMBU-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588532956 1080083721 /nfs/dbraw/zinc/08/37/21/1080083721.db2.gz KCLDEUKTPKAACQ-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588532956 1080083728 /nfs/dbraw/zinc/08/37/28/1080083728.db2.gz KCLDEUKTPKAACQ-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001588551915 1080091348 /nfs/dbraw/zinc/09/13/48/1080091348.db2.gz LIYGHNRVJMRAHN-ZDUSSCGKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001588551915 1080091355 /nfs/dbraw/zinc/09/13/55/1080091355.db2.gz LIYGHNRVJMRAHN-ZDUSSCGKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(NC(=O)Nc2cnc(OC)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001588556655 1080094639 /nfs/dbraw/zinc/09/46/39/1080094639.db2.gz BMLCAOQBAJRAMA-UHFFFAOYSA-N -1 3 357.418 2.671 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588559877 1080096843 /nfs/dbraw/zinc/09/68/43/1080096843.db2.gz LPMKXNFSILYYSR-CQSZACIVSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588559877 1080096846 /nfs/dbraw/zinc/09/68/46/1080096846.db2.gz LPMKXNFSILYYSR-CQSZACIVSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588566897 1080101689 /nfs/dbraw/zinc/10/16/89/1080101689.db2.gz OHKVRUGMXVOIRN-GOEBONIOSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588566897 1080101693 /nfs/dbraw/zinc/10/16/93/1080101693.db2.gz OHKVRUGMXVOIRN-GOEBONIOSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCC(=O)N[C@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC[C@H]1C ZINC001588571942 1080103994 /nfs/dbraw/zinc/10/39/94/1080103994.db2.gz TZUPUTBMSWHTLL-KUHUBIRLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)N[C@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC[C@H]1C ZINC001588571942 1080103996 /nfs/dbraw/zinc/10/39/96/1080103996.db2.gz TZUPUTBMSWHTLL-KUHUBIRLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC[C@@H](CO)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588578609 1080106267 /nfs/dbraw/zinc/10/62/67/1080106267.db2.gz CAXUSADYPAXTCF-ZDUSSCGKSA-N -1 3 363.425 2.715 20 30 FFEDHM C=CCC[C@@H](CO)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588578609 1080106271 /nfs/dbraw/zinc/10/62/71/1080106271.db2.gz CAXUSADYPAXTCF-ZDUSSCGKSA-N -1 3 363.425 2.715 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](C)[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588582105 1080108363 /nfs/dbraw/zinc/10/83/63/1080108363.db2.gz GXBBVSCBVWDSAV-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](C)[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588582105 1080108366 /nfs/dbraw/zinc/10/83/66/1080108366.db2.gz GXBBVSCBVWDSAV-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001588585753 1080110292 /nfs/dbraw/zinc/11/02/92/1080110292.db2.gz YDUFZIZLXQVGHC-UHFFFAOYSA-N -1 3 353.369 2.825 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588588290 1080110846 /nfs/dbraw/zinc/11/08/46/1080110846.db2.gz JKZLOKLBRKRVCK-AWEZNQCLSA-N -1 3 372.448 2.789 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588588290 1080110848 /nfs/dbraw/zinc/11/08/48/1080110848.db2.gz JKZLOKLBRKRVCK-AWEZNQCLSA-N -1 3 372.448 2.789 20 30 FFEDHM C=CCCCC(=O)NC1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588587310 1080111246 /nfs/dbraw/zinc/11/12/46/1080111246.db2.gz UIENGRKCWWTKLY-UHFFFAOYSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)NC1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588587310 1080111249 /nfs/dbraw/zinc/11/12/49/1080111249.db2.gz UIENGRKCWWTKLY-UHFFFAOYSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588588330 1080111613 /nfs/dbraw/zinc/11/16/13/1080111613.db2.gz KVNRSEOLWDBDPS-CJNGLKHVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588588330 1080111617 /nfs/dbraw/zinc/11/16/17/1080111617.db2.gz KVNRSEOLWDBDPS-CJNGLKHVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588588680 1080112442 /nfs/dbraw/zinc/11/24/42/1080112442.db2.gz WNOOZXGHOPFAHK-OAHLLOKOSA-N -1 3 369.473 2.801 20 30 FFEDHM C=CCCCC(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588588680 1080112447 /nfs/dbraw/zinc/11/24/47/1080112447.db2.gz WNOOZXGHOPFAHK-OAHLLOKOSA-N -1 3 369.473 2.801 20 30 FFEDHM C=CCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588593721 1080115829 /nfs/dbraw/zinc/11/58/29/1080115829.db2.gz HVNNJIFLFRHSJG-UHFFFAOYSA-N -1 3 374.420 2.587 20 30 FFEDHM C=CCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588593721 1080115833 /nfs/dbraw/zinc/11/58/33/1080115833.db2.gz HVNNJIFLFRHSJG-UHFFFAOYSA-N -1 3 374.420 2.587 20 30 FFEDHM C=CCCSCCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588617981 1080123711 /nfs/dbraw/zinc/12/37/11/1080123711.db2.gz LOCZZNPOLZKQMR-UHFFFAOYSA-N -1 3 363.512 2.525 20 30 FFEDHM C=CCCSCCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588617981 1080123714 /nfs/dbraw/zinc/12/37/14/1080123714.db2.gz LOCZZNPOLZKQMR-UHFFFAOYSA-N -1 3 363.512 2.525 20 30 FFEDHM C=CCCOCCCCC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588618025 1080124104 /nfs/dbraw/zinc/12/41/04/1080124104.db2.gz OLDMOVXDEHFLQR-KRWDZBQOSA-N -1 3 355.442 2.733 20 30 FFEDHM C=CCCOCCCCC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588618025 1080124106 /nfs/dbraw/zinc/12/41/06/1080124106.db2.gz OLDMOVXDEHFLQR-KRWDZBQOSA-N -1 3 355.442 2.733 20 30 FFEDHM C=CCN(CC=C)C(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588632411 1080129553 /nfs/dbraw/zinc/12/95/53/1080129553.db2.gz XLPADRGWBGISNO-ZDUSSCGKSA-N -1 3 366.347 2.854 20 30 FFEDHM C=CCN(CC=C)C(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588632411 1080129557 /nfs/dbraw/zinc/12/95/57/1080129557.db2.gz XLPADRGWBGISNO-ZDUSSCGKSA-N -1 3 366.347 2.854 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCO[C@H](C(C)C)C1 ZINC001588640059 1080133662 /nfs/dbraw/zinc/13/36/62/1080133662.db2.gz ZRDQWKRVXVAOTM-ROUUACIJSA-N -1 3 369.469 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCO[C@H](C(C)C)C1 ZINC001588640059 1080133666 /nfs/dbraw/zinc/13/36/66/1080133666.db2.gz ZRDQWKRVXVAOTM-ROUUACIJSA-N -1 3 369.469 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(O)(CC)CC ZINC001588642087 1080134587 /nfs/dbraw/zinc/13/45/87/1080134587.db2.gz SBZILDSQXMHCMU-UHFFFAOYSA-N -1 3 372.473 2.506 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(O)(CC)CC ZINC001588642087 1080134590 /nfs/dbraw/zinc/13/45/90/1080134590.db2.gz SBZILDSQXMHCMU-UHFFFAOYSA-N -1 3 372.473 2.506 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@]1(C)CCCCO1 ZINC001588641424 1080134799 /nfs/dbraw/zinc/13/47/99/1080134799.db2.gz FGTWDYQUIIWIFY-LJQANCHMSA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@]1(C)CCCCO1 ZINC001588641424 1080134803 /nfs/dbraw/zinc/13/48/03/1080134803.db2.gz FGTWDYQUIIWIFY-LJQANCHMSA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc2c1OCCO2 ZINC001588648108 1080137794 /nfs/dbraw/zinc/13/77/94/1080137794.db2.gz GVNSFEZMIVVEKT-UHFFFAOYSA-N -1 3 363.421 2.826 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)NC(C)(C)CC ZINC001588648969 1080139769 /nfs/dbraw/zinc/13/97/69/1080139769.db2.gz RWRLOLNJPGXWEH-AWEZNQCLSA-N -1 3 356.474 2.548 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588652255 1080141983 /nfs/dbraw/zinc/14/19/83/1080141983.db2.gz QGYYOOOZLVQMIP-UHFFFAOYSA-N -1 3 372.432 2.886 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588652255 1080141988 /nfs/dbraw/zinc/14/19/88/1080141988.db2.gz QGYYOOOZLVQMIP-UHFFFAOYSA-N -1 3 372.432 2.886 20 30 FFEDHM C=CCN(c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC1CC1)C1CC1 ZINC001588653560 1080143066 /nfs/dbraw/zinc/14/30/66/1080143066.db2.gz MVZJPGUUXRDJQJ-UHFFFAOYSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CCN(c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC1CC1)C1CC1 ZINC001588653560 1080143075 /nfs/dbraw/zinc/14/30/75/1080143075.db2.gz MVZJPGUUXRDJQJ-UHFFFAOYSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CCNc1nc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cs1 ZINC001588663202 1080146398 /nfs/dbraw/zinc/14/63/98/1080146398.db2.gz HEUVSGIFFAXLCF-UHFFFAOYSA-N -1 3 356.411 2.587 20 30 FFEDHM C=CCNc1nc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cs1 ZINC001588663202 1080146403 /nfs/dbraw/zinc/14/64/03/1080146403.db2.gz HEUVSGIFFAXLCF-UHFFFAOYSA-N -1 3 356.411 2.587 20 30 FFEDHM C=CCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001588689927 1080156074 /nfs/dbraw/zinc/15/60/74/1080156074.db2.gz OXVIXHWIDOEVDI-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001588689927 1080156081 /nfs/dbraw/zinc/15/60/81/1080156081.db2.gz OXVIXHWIDOEVDI-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCc1cccc(F)c1OS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588695204 1080159137 /nfs/dbraw/zinc/15/91/37/1080159137.db2.gz RBSSRTQYUQWTCC-UHFFFAOYSA-N -1 3 374.397 2.643 20 30 FFEDHM C=CCc1cccc(F)c1OS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588695204 1080159141 /nfs/dbraw/zinc/15/91/41/1080159141.db2.gz RBSSRTQYUQWTCC-UHFFFAOYSA-N -1 3 374.397 2.643 20 30 FFEDHM C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588695198 1080159265 /nfs/dbraw/zinc/15/92/65/1080159265.db2.gz QXLPJTLMXOAJPD-UHFFFAOYSA-N -1 3 374.397 2.810 20 30 FFEDHM C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588695198 1080159270 /nfs/dbraw/zinc/15/92/70/1080159270.db2.gz QXLPJTLMXOAJPD-UHFFFAOYSA-N -1 3 374.397 2.810 20 30 FFEDHM C=CCSCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CC ZINC001588694380 1080159403 /nfs/dbraw/zinc/15/94/03/1080159403.db2.gz IXMOQNPFYOLAFW-UHFFFAOYSA-N -1 3 370.486 2.501 20 30 FFEDHM C=CCSCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CC ZINC001588694380 1080159408 /nfs/dbraw/zinc/15/94/08/1080159408.db2.gz IXMOQNPFYOLAFW-UHFFFAOYSA-N -1 3 370.486 2.501 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001588716795 1080166960 /nfs/dbraw/zinc/16/69/60/1080166960.db2.gz MMPIKBLXDIKZRT-UHFFFAOYSA-N -1 3 359.393 2.584 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001588716795 1080166961 /nfs/dbraw/zinc/16/69/61/1080166961.db2.gz MMPIKBLXDIKZRT-UHFFFAOYSA-N -1 3 359.393 2.584 20 30 FFEDHM C=CCN(CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1cccs1 ZINC001588828968 1080209514 /nfs/dbraw/zinc/20/95/14/1080209514.db2.gz WHQJZMSMGYYZMH-GDNBJRDFSA-N -1 3 352.481 2.628 20 30 FFEDHM CC(C)(C#N)c1ccc(CN2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001589036165 1080317223 /nfs/dbraw/zinc/31/72/23/1080317223.db2.gz VABGPUGITYMOHD-UHFFFAOYSA-N -1 3 374.448 2.931 20 30 FFEDHM CC(C)(C(=O)OCC#Cc1ccccc1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589059125 1080331573 /nfs/dbraw/zinc/33/15/73/1080331573.db2.gz NTNGHALKFXJEGD-UHFFFAOYSA-N -1 3 364.380 2.878 20 30 FFEDHM CC(C)(C(=O)OCC#Cc1ccccc1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589059125 1080331583 /nfs/dbraw/zinc/33/15/83/1080331583.db2.gz NTNGHALKFXJEGD-UHFFFAOYSA-N -1 3 364.380 2.878 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001589487429 1080559449 /nfs/dbraw/zinc/55/94/49/1080559449.db2.gz CJABYDCEEGBJAO-QGZVFWFLSA-N -1 3 363.377 2.747 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001589487429 1080559458 /nfs/dbraw/zinc/55/94/58/1080559458.db2.gz CJABYDCEEGBJAO-QGZVFWFLSA-N -1 3 363.377 2.747 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)C2(C#N)CCSCC2)cc1-c1nnn[n-]1 ZINC001589755220 1080709276 /nfs/dbraw/zinc/70/92/76/1080709276.db2.gz BXNJBLNBFXQQOW-UHFFFAOYSA-N -1 3 372.454 2.629 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)C2(C#N)CCSCC2)cc1-c1nn[n-]n1 ZINC001589755220 1080709281 /nfs/dbraw/zinc/70/92/81/1080709281.db2.gz BXNJBLNBFXQQOW-UHFFFAOYSA-N -1 3 372.454 2.629 20 30 FFEDHM CC(C)c1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@](F)(C#N)C3)c2c1 ZINC001589770764 1080725572 /nfs/dbraw/zinc/72/55/72/1080725572.db2.gz KFBCXBLETQUUOD-SFHVURJKSA-N -1 3 351.389 2.980 20 30 FFEDHM CC(C)c1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@](F)(C#N)C3)c2c1 ZINC001589770764 1080725581 /nfs/dbraw/zinc/72/55/81/1080725581.db2.gz KFBCXBLETQUUOD-SFHVURJKSA-N -1 3 351.389 2.980 20 30 FFEDHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001589926833 1080866529 /nfs/dbraw/zinc/86/65/29/1080866529.db2.gz WTNCLTRDNYZKIP-GFCCVEGCSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001589926833 1080866533 /nfs/dbraw/zinc/86/65/33/1080866533.db2.gz WTNCLTRDNYZKIP-GFCCVEGCSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@@]1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C1 ZINC001590056455 1080983124 /nfs/dbraw/zinc/98/31/24/1080983124.db2.gz LWFZZUVPMWZENR-KRWDZBQOSA-N -1 3 371.351 2.756 20 30 FFEDHM C[C@@]1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC001590056455 1080983127 /nfs/dbraw/zinc/98/31/27/1080983127.db2.gz LWFZZUVPMWZENR-KRWDZBQOSA-N -1 3 371.351 2.756 20 30 FFEDHM C[C@@]1(C#N)CCN(c2cc(Br)c(-c3nnn[n-]3)cc2F)C1 ZINC001590056241 1080983241 /nfs/dbraw/zinc/98/32/41/1080983241.db2.gz CJNMSQLOSSINOL-ZDUSSCGKSA-N -1 3 351.183 2.508 20 30 FFEDHM C[C@@]1(C#N)CCN(c2cc(Br)c(-c3nn[n-]n3)cc2F)C1 ZINC001590056241 1080983246 /nfs/dbraw/zinc/98/32/46/1080983246.db2.gz CJNMSQLOSSINOL-ZDUSSCGKSA-N -1 3 351.183 2.508 20 30 FFEDHM CC1CC(C#N)(C(=O)N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001590180341 1081073670 /nfs/dbraw/zinc/07/36/70/1081073670.db2.gz QQAJNLYVBJHCHP-UHFFFAOYSA-N -1 3 350.426 2.513 20 30 FFEDHM CC1CC(C#N)(C(=O)N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001590180341 1081073677 /nfs/dbraw/zinc/07/36/77/1081073677.db2.gz QQAJNLYVBJHCHP-UHFFFAOYSA-N -1 3 350.426 2.513 20 30 FFEDHM N#Cc1c(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn2ccccc12 ZINC000289401334 257279150 /nfs/dbraw/zinc/27/91/50/257279150.db2.gz FUJPEBXWDKZUAP-CYBMUJFWSA-N -1 3 364.371 2.701 20 30 FFEDHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000330756734 258169935 /nfs/dbraw/zinc/16/99/35/258169935.db2.gz HOBNYNINKRLNDX-WBMJQRKESA-N -1 3 370.858 2.612 20 30 FFEDHM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000006177843 506471185 /nfs/dbraw/zinc/47/11/85/506471185.db2.gz ACXNODSPXLMSFG-UHFFFAOYSA-N -1 3 360.435 2.720 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000066393346 506505676 /nfs/dbraw/zinc/50/56/76/506505676.db2.gz ZWGQZWLMOHNSHM-ZDUSSCGKSA-N -1 3 365.220 2.617 20 30 FFEDHM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000054727083 506611424 /nfs/dbraw/zinc/61/14/24/506611424.db2.gz CFAOYHFHDDDZPA-OAHLLOKOSA-N -1 3 351.410 2.843 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccccn1 ZINC000055518276 506766975 /nfs/dbraw/zinc/76/69/75/506766975.db2.gz YDQNMIDTICMUOP-SFHVURJKSA-N -1 3 350.422 2.555 20 30 FFEDHM CC(C)OCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055950092 506894821 /nfs/dbraw/zinc/89/48/21/506894821.db2.gz GLVKMJXLRNTEOZ-UHFFFAOYSA-N -1 3 350.362 2.670 20 30 FFEDHM CC(C)[N-]C(=S)C(C(=O)c1ccc2c(c1)COC2)[n+]1cccc([O-])c1 ZINC000069047737 507391195 /nfs/dbraw/zinc/39/11/95/507391195.db2.gz UUZBPAJJSSILMD-UHFFFAOYSA-O -1 3 357.455 2.647 20 30 FFEDHM COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1[O-] ZINC000109701481 507981979 /nfs/dbraw/zinc/98/19/79/507981979.db2.gz RJFRLKACDBSZPC-CQSZACIVSA-N -1 3 369.396 2.810 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)NCCCN(C)Cc2ccccc2)cc1C#N ZINC000074344985 508014051 /nfs/dbraw/zinc/01/40/51/508014051.db2.gz QCTIDDFZHYEWSY-UHFFFAOYSA-N -1 3 370.478 2.633 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)[C@H]([N-]S(C)(=O)=O)[C@@H](C)CC)c1 ZINC000074563023 508035554 /nfs/dbraw/zinc/03/55/54/508035554.db2.gz ROISHTQMMQWMMK-XJKSGUPXSA-N -1 3 354.472 2.544 20 30 FFEDHM N#CCCCS(=O)(=O)[N-][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000111329386 508090788 /nfs/dbraw/zinc/09/07/88/508090788.db2.gz NBKGRCLILKQARR-KRWDZBQOSA-N -1 3 357.435 2.590 20 30 FFEDHM C[C@H](c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)N1CCOCC1 ZINC000111994897 508142868 /nfs/dbraw/zinc/14/28/68/508142868.db2.gz KVZQORBILFYFIS-OAHLLOKOSA-N -1 3 371.462 2.752 20 30 FFEDHM CCOc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1Cl ZINC000112484310 508190451 /nfs/dbraw/zinc/19/04/51/508190451.db2.gz SMSIDPBDQJTFCG-LBPRGKRZSA-N -1 3 359.817 2.942 20 30 FFEDHM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000103799895 508322807 /nfs/dbraw/zinc/32/28/07/508322807.db2.gz GCAZFHGKEMUYPY-INIZCTEOSA-N -1 3 365.437 2.586 20 30 FFEDHM N#Cc1ccc([C@@H](O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000122071225 508477194 /nfs/dbraw/zinc/47/71/94/508477194.db2.gz WGOYVBIGNRGFOX-FQEVSTJZSA-N -1 3 350.418 2.892 20 30 FFEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000128121808 508550896 /nfs/dbraw/zinc/55/08/96/508550896.db2.gz SLCNQBWZFYEBEO-PBHICJAKSA-N -1 3 373.453 2.639 20 30 FFEDHM Cc1cccc([C@@H](C/N=C/c2ccc(O)c([O-])c2O)N2CCOCC2)c1 ZINC000122564413 508554517 /nfs/dbraw/zinc/55/45/17/508554517.db2.gz UXJBXFZSGIMSNG-KKJJZKEWSA-N -1 3 356.422 2.604 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000116851794 508568068 /nfs/dbraw/zinc/56/80/68/508568068.db2.gz GDHPTHLUVVQHIF-NSHDSACASA-N -1 3 370.521 2.983 20 30 FFEDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157721983 508603195 /nfs/dbraw/zinc/60/31/95/508603195.db2.gz ZGMGHZLXLFGAMN-MLGOLLRUSA-N -1 3 354.447 2.817 20 30 FFEDHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000158108090 508657679 /nfs/dbraw/zinc/65/76/79/508657679.db2.gz FNPSOWUMEOQMQG-GWCFXTLKSA-N -1 3 354.428 2.549 20 30 FFEDHM N#Cc1cc(C#N)c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nc1N ZINC000123481355 508693690 /nfs/dbraw/zinc/69/36/90/508693690.db2.gz XTHNOXSECNIDKE-UHFFFAOYSA-N -1 3 374.385 2.682 20 30 FFEDHM CC[C@](C)(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1nccs1 ZINC000154142448 508725128 /nfs/dbraw/zinc/72/51/28/508725128.db2.gz UOCCONWCGNXISK-SFHVURJKSA-N -1 3 358.467 2.694 20 30 FFEDHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000129445866 508727589 /nfs/dbraw/zinc/72/75/89/508727589.db2.gz PIMXOAKBIILNJY-ZDUSSCGKSA-N -1 3 364.448 2.858 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000139170951 508784366 /nfs/dbraw/zinc/78/43/66/508784366.db2.gz PTDSWPJSJGLCIQ-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000139170951 508784371 /nfs/dbraw/zinc/78/43/71/508784371.db2.gz PTDSWPJSJGLCIQ-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000139170951 508784374 /nfs/dbraw/zinc/78/43/74/508784374.db2.gz PTDSWPJSJGLCIQ-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1C ZINC000124360677 508820646 /nfs/dbraw/zinc/82/06/46/508820646.db2.gz XYHDYEHENUHKSM-KRWDZBQOSA-N -1 3 372.446 2.840 20 30 FFEDHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000120132594 508935430 /nfs/dbraw/zinc/93/54/30/508935430.db2.gz AOCKFZQJSUCXBN-CYBMUJFWSA-N -1 3 350.403 2.738 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OC(C)(C)C)CC1 ZINC000151667290 509062635 /nfs/dbraw/zinc/06/26/35/509062635.db2.gz GDUYUSIMCFTYEL-UHFFFAOYSA-N -1 3 359.470 2.602 20 30 FFEDHM CCC1(CC)[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@@H]1OC ZINC000151844443 509094981 /nfs/dbraw/zinc/09/49/81/509094981.db2.gz ZVDUFRVPWOQUIH-SJORKVTESA-N -1 3 359.470 2.506 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000172745041 509207350 /nfs/dbraw/zinc/20/73/50/509207350.db2.gz QKHUMGFDNBYYNL-LBPRGKRZSA-N -1 3 371.412 2.519 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000176138599 509342661 /nfs/dbraw/zinc/34/26/61/509342661.db2.gz GAOHCLVMJHCPJV-SJLPKXTDSA-N -1 3 369.465 2.546 20 30 FFEDHM COc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl ZINC000164080398 509459867 /nfs/dbraw/zinc/45/98/67/509459867.db2.gz IRJFXHFOKZYMJX-UHFFFAOYSA-N -1 3 373.840 2.774 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCC[C@H](C)C1 ZINC000186283990 509623426 /nfs/dbraw/zinc/62/34/26/509623426.db2.gz MBBLVSGBXWQORT-STQMWFEESA-N -1 3 355.891 2.610 20 30 FFEDHM COc1cccc(OC)c1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000267917798 509668670 /nfs/dbraw/zinc/66/86/70/509668670.db2.gz HVIJNDLSSSMBAZ-UHFFFAOYSA-N -1 3 370.405 2.969 20 30 FFEDHM COc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)C#N)cc1Cl ZINC000176954720 509783593 /nfs/dbraw/zinc/78/35/93/509783593.db2.gz ATNCYMSBPNMIOA-ZETCQYMHSA-N -1 3 367.652 2.549 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OCCC(C)C)CC1 ZINC000193362782 509882362 /nfs/dbraw/zinc/88/23/62/509882362.db2.gz FUAMRXACPKMMSP-UHFFFAOYSA-N -1 3 373.497 2.850 20 30 FFEDHM COCc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n[n-]1 ZINC000268457384 509942161 /nfs/dbraw/zinc/94/21/61/509942161.db2.gz CNVGHAPQSHZJAN-NSHDSACASA-N -1 3 363.418 2.518 20 30 FFEDHM C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1[O-] ZINC000190615078 510240714 /nfs/dbraw/zinc/24/07/14/510240714.db2.gz VDGYFNKBSUOXGV-ACJLOTCBSA-N -1 3 353.397 2.855 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1 ZINC000269281489 510323020 /nfs/dbraw/zinc/32/30/20/510323020.db2.gz AUZCRPYHRQRTOW-BFUOFWGJSA-N -1 3 371.412 2.586 20 30 FFEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1[O-] ZINC000187693619 510390519 /nfs/dbraw/zinc/39/05/19/510390519.db2.gz KTQORAMLAZVYLF-AWEZNQCLSA-N -1 3 355.463 2.967 20 30 FFEDHM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)nn1 ZINC000178288894 510529391 /nfs/dbraw/zinc/52/93/91/510529391.db2.gz NLQXPNFLAHGYGO-UHFFFAOYSA-N -1 3 371.466 2.958 20 30 FFEDHM CCS[C@H]1CCCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000175255384 510555269 /nfs/dbraw/zinc/55/52/69/510555269.db2.gz RAXQLXZEIQXSJQ-SJORKVTESA-N -1 3 361.511 2.977 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)cc1OC ZINC000182007588 510704804 /nfs/dbraw/zinc/70/48/04/510704804.db2.gz FSSHPKLORHNZEF-BDJLRTHQSA-N -1 3 356.419 2.594 20 30 FFEDHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329921738 510879257 /nfs/dbraw/zinc/87/92/57/510879257.db2.gz HRSWCEHAPFNXFM-BPUTZDHNSA-N -1 3 353.426 2.871 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1[O-] ZINC000275350805 510879981 /nfs/dbraw/zinc/87/99/81/510879981.db2.gz ZCMZYIMFWKTWEC-VBNDGVRISA-N -1 3 363.458 2.652 20 30 FFEDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)o1 ZINC000294099003 510955268 /nfs/dbraw/zinc/95/52/68/510955268.db2.gz BSKLCULCRRWIGE-MRXNPFEDSA-N -1 3 366.414 2.660 20 30 FFEDHM CC[C@@H]1OCCC[C@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000330285152 510958099 /nfs/dbraw/zinc/95/80/99/510958099.db2.gz YLCGKTROJQSNLJ-CJNGLKHVSA-N -1 3 368.455 2.725 20 30 FFEDHM C=CC[C@H]1N(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1(C)C ZINC000277892642 510975750 /nfs/dbraw/zinc/97/57/50/510975750.db2.gz FTHQXVLKZPELKL-IIBYNOLFSA-N -1 3 369.465 2.948 20 30 FFEDHM COc1ccc(CN2CC[C@H](/N=C/c3ccccc3[O-])C2=O)c(OC)c1 ZINC000286566105 511029079 /nfs/dbraw/zinc/02/90/79/511029079.db2.gz RDJQZXQYEQTTIP-RHLNUJDMSA-N -1 3 354.406 2.629 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000271057473 511071566 /nfs/dbraw/zinc/07/15/66/511071566.db2.gz UMQZWLMXWWXPDN-TVRRNDIQSA-N -1 3 373.840 2.632 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccc2ccccc2c1 ZINC000295089631 511279117 /nfs/dbraw/zinc/27/91/17/511279117.db2.gz FVHRJABQKIRQEH-QGZVFWFLSA-N -1 3 374.462 2.913 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000272228714 511472387 /nfs/dbraw/zinc/47/23/87/511472387.db2.gz WYJBBGQFXIEUIH-CVEARBPZSA-N -1 3 359.470 2.918 20 30 FFEDHM CC1(C#N)CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000272651531 511502727 /nfs/dbraw/zinc/50/27/27/511502727.db2.gz KJMOUKYGMPIJIU-UHFFFAOYSA-N -1 3 352.232 2.990 20 30 FFEDHM COc1cc(/C=C/C(=O)N[C@@]2(C#N)CC2(C)C)cc(Br)c1[O-] ZINC000292566865 511644531 /nfs/dbraw/zinc/64/45/31/511644531.db2.gz UIBXNYNQTAEEDP-DWTRPJMMSA-N -1 3 365.227 2.985 20 30 FFEDHM Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc([O-])cc4)no3)CC2)o1 ZINC000350575429 511842952 /nfs/dbraw/zinc/84/29/52/511842952.db2.gz ICKNVCIBAXRYPT-UHFFFAOYSA-N -1 3 351.366 2.994 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)ccc1[O-] ZINC000325200477 511845262 /nfs/dbraw/zinc/84/52/62/511845262.db2.gz FULJQSNLIZDEON-UHFFFAOYSA-N -1 3 366.782 2.505 20 30 FFEDHM C[C@H](C(=O)Nc1cccc2ccccc21)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328902391 511947878 /nfs/dbraw/zinc/94/78/78/511947878.db2.gz GOFDFGVTJNHDAL-WBMJQRKESA-N -1 3 352.394 2.893 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000285127099 512010262 /nfs/dbraw/zinc/01/02/62/512010262.db2.gz PRPJIMUSSDJOFH-NSHDSACASA-N -1 3 367.265 2.512 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@H]2CC23CCCCC3)ccc1F ZINC000329246698 512013087 /nfs/dbraw/zinc/01/30/87/512013087.db2.gz RGTDDOSCHGVTDL-AWEZNQCLSA-N -1 3 355.435 2.592 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000285218590 512042272 /nfs/dbraw/zinc/04/22/72/512042272.db2.gz XRSCWFZGKJOGPW-GFCCVEGCSA-N -1 3 352.403 2.770 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000364302605 512076417 /nfs/dbraw/zinc/07/64/17/512076417.db2.gz LPMNFXVVIMUBJF-IRXDYDNUSA-N -1 3 371.481 2.874 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OC(C)(C)C ZINC000392554694 512925966 /nfs/dbraw/zinc/92/59/66/512925966.db2.gz TWIONVNLNMGBMT-CQSZACIVSA-N -1 3 372.874 2.856 20 30 FFEDHM CCOC[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000417661916 513146964 /nfs/dbraw/zinc/14/69/64/513146964.db2.gz TWLHNCGDXNIHSK-LJQANCHMSA-N -1 3 354.406 2.717 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421252861 513178598 /nfs/dbraw/zinc/17/85/98/513178598.db2.gz VQVJBNNHNMSQEJ-ZDUSSCGKSA-N -1 3 368.789 2.538 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C[S@](C)=O)c3)nc1-2 ZINC000429585457 513417625 /nfs/dbraw/zinc/41/76/25/513417625.db2.gz JKRYBDDERABWMM-PWECECGKSA-N -1 3 352.419 2.635 20 30 FFEDHM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2c(C)cccc2C)c1C#N ZINC000451009697 513454739 /nfs/dbraw/zinc/45/47/39/513454739.db2.gz QXUVTGHYZPEEFB-UHFFFAOYSA-N -1 3 361.471 2.686 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(CC#N)c2)CCCCC1 ZINC000451117585 513535637 /nfs/dbraw/zinc/53/56/37/513535637.db2.gz VNBRDTYAXDOIOJ-UHFFFAOYSA-N -1 3 350.440 2.618 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)s1 ZINC000435432592 513584156 /nfs/dbraw/zinc/58/41/56/513584156.db2.gz JKAQJVPVFPJVKL-CYBMUJFWSA-N -1 3 352.412 2.951 20 30 FFEDHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)N(C)C)cc1 ZINC000435436155 513586662 /nfs/dbraw/zinc/58/66/62/513586662.db2.gz DPLSMFKIFSOCCM-MRXNPFEDSA-N -1 3 363.508 2.763 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1noc(Cc2ccccc2)n1 ZINC000451295598 513658892 /nfs/dbraw/zinc/65/88/92/513658892.db2.gz ZPVIXTUWCURWDP-CYBMUJFWSA-N -1 3 362.455 2.581 20 30 FFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451299547 513663181 /nfs/dbraw/zinc/66/31/81/513663181.db2.gz SEDCRPHDFTWLQQ-UHFFFAOYSA-N -1 3 367.858 2.997 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc1OC(F)(F)F ZINC000442239047 513687710 /nfs/dbraw/zinc/68/77/10/513687710.db2.gz KAQCUBAJQORFQU-GFCCVEGCSA-N -1 3 364.345 2.768 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000436149303 513776067 /nfs/dbraw/zinc/77/60/67/513776067.db2.gz CQLVQMBVJFYVAZ-MSOLQXFVSA-N -1 3 374.400 2.874 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000436149312 513776362 /nfs/dbraw/zinc/77/63/62/513776362.db2.gz CQLVQMBVJFYVAZ-ZWKOTPCHSA-N -1 3 374.400 2.874 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]CC2(CC#N)CC2)c(F)cc1Br ZINC000416531456 513820261 /nfs/dbraw/zinc/82/02/61/513820261.db2.gz VDCDCFBYNCHJQD-UHFFFAOYSA-N -1 3 361.236 2.869 20 30 FFEDHM CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000426028644 513831069 /nfs/dbraw/zinc/83/10/69/513831069.db2.gz HHIOVHPJARHYEM-UHFFFAOYSA-N -1 3 361.401 2.689 20 30 FFEDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443007763 513841105 /nfs/dbraw/zinc/84/11/05/513841105.db2.gz AXDSDGVSYSVPMI-UHFFFAOYSA-N -1 3 365.842 2.874 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCC[C@@H](C)C1 ZINC000443108137 513873173 /nfs/dbraw/zinc/87/31/73/513873173.db2.gz MDFZFJKZKFGBKM-CHWSQXEVSA-N -1 3 355.891 2.610 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)oc1C ZINC000416654923 513891621 /nfs/dbraw/zinc/89/16/21/513891621.db2.gz ARJFHOWPZXNDPO-INIZCTEOSA-N -1 3 374.418 2.602 20 30 FFEDHM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c([O-])c1C ZINC000436625994 513922442 /nfs/dbraw/zinc/92/24/42/513922442.db2.gz GYWPNKDBMQLXOY-SFHVURJKSA-N -1 3 363.417 2.806 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000443321598 513934391 /nfs/dbraw/zinc/93/43/91/513934391.db2.gz QCVXMRCHQZNOEW-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCC1 ZINC000443349881 513946344 /nfs/dbraw/zinc/94/63/44/513946344.db2.gz WBFOYXBIPVMGSA-INIZCTEOSA-N -1 3 354.447 2.961 20 30 FFEDHM CC#CCN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436784038 513979826 /nfs/dbraw/zinc/97/98/26/513979826.db2.gz OMITZJSKWHGFEB-LJQANCHMSA-N -1 3 350.418 2.735 20 30 FFEDHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000451820712 514003115 /nfs/dbraw/zinc/00/31/15/514003115.db2.gz BFJOYLCDHBHACW-SFHVURJKSA-N -1 3 362.426 2.679 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1c[nH]c2ncccc12 ZINC000443774976 514039604 /nfs/dbraw/zinc/03/96/04/514039604.db2.gz SVDQJOXUWPKGSZ-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000451902089 514056466 /nfs/dbraw/zinc/05/64/66/514056466.db2.gz NQRUIHITXLVDSI-MNOVXSKESA-N -1 3 364.236 2.600 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000432268166 514142571 /nfs/dbraw/zinc/14/25/71/514142571.db2.gz NSUCXAXRJXVHKZ-MRXNPFEDSA-N -1 3 362.476 2.802 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2cc(C#N)ccc2C)CCCCC1 ZINC000427210761 514151079 /nfs/dbraw/zinc/15/10/79/514151079.db2.gz TYHCSTGGNGRSAG-UHFFFAOYSA-N -1 3 350.440 2.732 20 30 FFEDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000420734360 514266636 /nfs/dbraw/zinc/26/66/36/514266636.db2.gz VZFXTUMYIGFOQB-RYUDHWBXSA-N -1 3 362.373 2.813 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cn1 ZINC000432964956 514336937 /nfs/dbraw/zinc/33/69/37/514336937.db2.gz CLWVNGKHNYVAQX-ZDUSSCGKSA-N -1 3 359.304 2.516 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2CCN(C)C)cc1C#N ZINC000438573091 514407172 /nfs/dbraw/zinc/40/71/72/514407172.db2.gz WJFQLELVCVHDKR-UHFFFAOYSA-N -1 3 356.451 2.737 20 30 FFEDHM N#C[C@@H]([N-]S(=O)(=O)CCOCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000424212471 514419332 /nfs/dbraw/zinc/41/93/32/514419332.db2.gz PFIFWQMIDLIUTQ-CQSZACIVSA-N -1 3 362.373 2.616 20 30 FFEDHM COc1cccc(C2(C[N-]S(=O)(=O)c3cccnc3C#N)CCCC2)c1 ZINC000428271703 514438347 /nfs/dbraw/zinc/43/83/47/514438347.db2.gz PEDLVPHTXUATDT-UHFFFAOYSA-N -1 3 371.462 2.752 20 30 FFEDHM COc1ccccc1C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)C(C)C ZINC000428394614 514465682 /nfs/dbraw/zinc/46/56/82/514465682.db2.gz WAZNAVACSCYALS-HNNXBMFYSA-N -1 3 359.451 2.507 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(O)cc3[O-])C2)c(F)c1 ZINC000439061540 514488271 /nfs/dbraw/zinc/48/82/71/514488271.db2.gz TZLMVIIFYLNXAR-CYBMUJFWSA-N -1 3 355.369 2.507 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000452775791 514491944 /nfs/dbraw/zinc/49/19/44/514491944.db2.gz IXXKHTNASNNNLR-UHFFFAOYSA-N -1 3 370.453 2.727 20 30 FFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000508086911 514662861 /nfs/dbraw/zinc/66/28/61/514662861.db2.gz UKOADCGZCPIXHI-CYBMUJFWSA-N -1 3 350.868 2.934 20 30 FFEDHM Cc1nc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c(Cl)cc1C#N ZINC000461780452 514733777 /nfs/dbraw/zinc/73/37/77/514733777.db2.gz NNXIQEAGSPGYKT-UHFFFAOYSA-N -1 3 356.813 2.583 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000467694769 515083143 /nfs/dbraw/zinc/08/31/43/515083143.db2.gz BWOVHXSYDQCVJM-CJNGLKHVSA-N -1 3 356.463 2.600 20 30 FFEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccco1 ZINC000498893086 515105643 /nfs/dbraw/zinc/10/56/43/515105643.db2.gz RBJTUPYADPIHAO-HNNXBMFYSA-N -1 3 353.488 2.666 20 30 FFEDHM C=CCC1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000456485076 515214488 /nfs/dbraw/zinc/21/44/88/515214488.db2.gz JXOWFOGRKKCNFA-ZDUSSCGKSA-N -1 3 356.513 2.668 20 30 FFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000509625576 515261649 /nfs/dbraw/zinc/26/16/49/515261649.db2.gz LFFXJVAEKPLPBF-UHFFFAOYSA-N -1 3 362.407 2.947 20 30 FFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000510034518 515410456 /nfs/dbraw/zinc/41/04/56/515410456.db2.gz MCWDHKLTWJCCRX-NSHDSACASA-N -1 3 374.890 2.731 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000481880421 515497742 /nfs/dbraw/zinc/49/77/42/515497742.db2.gz IGGUFFFVMKOTAL-UHFFFAOYSA-N -1 3 371.393 2.969 20 30 FFEDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000486598862 515555296 /nfs/dbraw/zinc/55/52/96/515555296.db2.gz FIZNTOVSUIKJSL-ZJUUUORDSA-N -1 3 367.862 2.883 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000473371715 515593726 /nfs/dbraw/zinc/59/37/26/515593726.db2.gz VFTVTGRIRPSQTP-UHFFFAOYSA-N -1 3 359.451 2.672 20 30 FFEDHM C=CCOc1cccc(NC(=O)C(=O)[N-]c2scc(C)c2C(=O)OC)c1 ZINC000500186486 515619292 /nfs/dbraw/zinc/61/92/92/515619292.db2.gz MHPBCQNAFJOKQU-UHFFFAOYSA-N -1 3 374.418 2.985 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000500924322 515906033 /nfs/dbraw/zinc/90/60/33/515906033.db2.gz OQHDQIABGXMTCL-KRWDZBQOSA-N -1 3 366.389 2.644 20 30 FFEDHM N#CCC[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000483194388 515978485 /nfs/dbraw/zinc/97/84/85/515978485.db2.gz HLTVPBIULZQDKS-NSHDSACASA-N -1 3 352.320 2.668 20 30 FFEDHM N#CCC[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000483194388 515978493 /nfs/dbraw/zinc/97/84/93/515978493.db2.gz HLTVPBIULZQDKS-NSHDSACASA-N -1 3 352.320 2.668 20 30 FFEDHM N#CCC[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000483194388 515978503 /nfs/dbraw/zinc/97/85/03/515978503.db2.gz HLTVPBIULZQDKS-NSHDSACASA-N -1 3 352.320 2.668 20 30 FFEDHM C=CCCN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000469885482 516016051 /nfs/dbraw/zinc/01/60/51/516016051.db2.gz VYOYSEXDXFCWIM-UHFFFAOYSA-N -1 3 370.453 2.679 20 30 FFEDHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000547712577 516515136 /nfs/dbraw/zinc/51/51/36/516515136.db2.gz AVWRRLMEJRIZJF-MRXNPFEDSA-N -1 3 367.471 2.572 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1 ZINC000528546247 516519479 /nfs/dbraw/zinc/51/94/79/516519479.db2.gz BYMZSNAHUFIURG-ZDUSSCGKSA-N -1 3 353.875 2.507 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCC1 ZINC000528547785 516521026 /nfs/dbraw/zinc/52/10/26/516521026.db2.gz IUWBVKSSQKHWKK-OAHLLOKOSA-N -1 3 353.875 2.507 20 30 FFEDHM C=CCN(CC(F)(F)F)C(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000540546817 516612876 /nfs/dbraw/zinc/61/28/76/516612876.db2.gz GKOJMEAKGXXXDR-UHFFFAOYSA-N -1 3 358.291 2.866 20 30 FFEDHM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000518383378 516637264 /nfs/dbraw/zinc/63/72/64/516637264.db2.gz LFNGYZKTTSXEEP-MFKMUULPSA-N -1 3 364.389 2.652 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000536120870 516638985 /nfs/dbraw/zinc/63/89/85/516638985.db2.gz GQQJWCRFROLVPU-APPDUMDISA-N -1 3 366.389 2.891 20 30 FFEDHM C=CCC(C)(C)c1noc(CNC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000551491654 516730415 /nfs/dbraw/zinc/73/04/15/516730415.db2.gz CYNPDPWCDSIYEI-UHFFFAOYSA-N -1 3 352.394 2.695 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)c(F)c1 ZINC000532121219 516809667 /nfs/dbraw/zinc/80/96/67/516809667.db2.gz LKGJYAFCZQLXNA-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccncn1 ZINC000544814658 516939486 /nfs/dbraw/zinc/93/94/86/516939486.db2.gz GOHKTNDFJDTNGM-QGZVFWFLSA-N -1 3 374.400 2.895 20 30 FFEDHM COC(=O)c1c(C)cccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000514720874 517022961 /nfs/dbraw/zinc/02/29/61/517022961.db2.gz BTJMYCANDNOUGB-UHFFFAOYSA-N -1 3 367.405 2.942 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)CCCC1 ZINC000545183489 517090034 /nfs/dbraw/zinc/09/00/34/517090034.db2.gz SPIHEDUUVXLHGH-UHFFFAOYSA-N -1 3 356.451 2.647 20 30 FFEDHM N#Cc1c(C#N)c(N2CCc3c(=O)[n-]cnc3C2)nc2c1CCCCCC2 ZINC000519798429 517187310 /nfs/dbraw/zinc/18/73/10/517187310.db2.gz XGPUIEWXJLIXCJ-UHFFFAOYSA-N -1 3 360.421 2.542 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)c1 ZINC000559815795 517438734 /nfs/dbraw/zinc/43/87/34/517438734.db2.gz JEXBPXOCSHZFQC-UHFFFAOYSA-N -1 3 361.854 2.964 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000553114695 517531858 /nfs/dbraw/zinc/53/18/58/517531858.db2.gz RBTVTEZXJCRADR-UHFFFAOYSA-N -1 3 366.421 2.566 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000553464481 517726530 /nfs/dbraw/zinc/72/65/30/517726530.db2.gz KFZLNVLZVMTXII-NSHDSACASA-N -1 3 355.257 2.955 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000542799353 517749923 /nfs/dbraw/zinc/74/99/23/517749923.db2.gz MVWHHDGELYABFV-OAHLLOKOSA-N -1 3 370.858 2.612 20 30 FFEDHM Cc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 ZINC000538743742 517758911 /nfs/dbraw/zinc/75/89/11/517758911.db2.gz HIHSMJWVZMITBP-INIZCTEOSA-N -1 3 367.430 2.726 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)Cc3cc(C#N)ccc3F)CCC2)n1 ZINC000534306154 517840314 /nfs/dbraw/zinc/84/03/14/517840314.db2.gz JXTZZSWXIBXNGF-UHFFFAOYSA-N -1 3 365.455 2.961 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000550113219 517866706 /nfs/dbraw/zinc/86/67/06/517866706.db2.gz ZMUPBCZDMMWZFR-UHFFFAOYSA-N -1 3 370.359 2.675 20 30 FFEDHM C[C@]1(c2ccc(CNc3ccc(C#N)c(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000521931298 517906572 /nfs/dbraw/zinc/90/65/72/517906572.db2.gz ZYFFYJVDHGQKSN-GOSISDBHSA-N -1 3 354.797 2.878 20 30 FFEDHM CCC[C@@H](C#N)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000546934223 517925983 /nfs/dbraw/zinc/92/59/83/517925983.db2.gz SRWAAVICDCLTRE-LBPRGKRZSA-N -1 3 372.450 2.760 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSC[C@@H]1C1CCC1 ZINC000563515190 517952270 /nfs/dbraw/zinc/95/22/70/517952270.db2.gz NASPIVJVODUYLX-QGZVFWFLSA-N -1 3 359.495 2.952 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(COc3ccc(C#N)cc3)n2)cc1 ZINC000547018175 517958774 /nfs/dbraw/zinc/95/87/74/517958774.db2.gz ACZOBURMZPMYJJ-UHFFFAOYSA-N -1 3 370.390 2.559 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000539337899 518000315 /nfs/dbraw/zinc/00/03/15/518000315.db2.gz ZCLZNAOJTMCQLO-CYBMUJFWSA-N -1 3 368.393 2.994 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cccc(C#N)c2)cc1OC ZINC000530907561 518045024 /nfs/dbraw/zinc/04/50/24/518045024.db2.gz OXJCKKQNVWKUAL-UHFFFAOYSA-N -1 3 373.434 2.510 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000575771570 518273181 /nfs/dbraw/zinc/27/31/81/518273181.db2.gz PKOBHTGSCYBFCW-UHFFFAOYSA-N -1 3 352.390 2.832 20 30 FFEDHM CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)c1 ZINC000581488816 518311876 /nfs/dbraw/zinc/31/18/76/518311876.db2.gz AJDNDPJTGPEJNI-UHFFFAOYSA-N -1 3 373.434 2.575 20 30 FFEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccn1 ZINC000575923215 518345969 /nfs/dbraw/zinc/34/59/69/518345969.db2.gz GJMBNWZJBQPQKJ-SFHVURJKSA-N -1 3 371.462 2.793 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000581732689 518430779 /nfs/dbraw/zinc/43/07/79/518430779.db2.gz GTFAUKCZXHGGID-SJKOYZFVSA-N -1 3 368.430 2.753 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccs1 ZINC000570387528 518580366 /nfs/dbraw/zinc/58/03/66/518580366.db2.gz YMIIENOFSPKTEQ-HNNXBMFYSA-N -1 3 368.455 2.797 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000564770822 518605855 /nfs/dbraw/zinc/60/58/55/518605855.db2.gz ZFESFZFAKIJAEL-HUUCEWRRSA-N -1 3 372.849 2.922 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1(CO)CCCC1 ZINC000565293594 518884001 /nfs/dbraw/zinc/88/40/01/518884001.db2.gz SKBGNZTYIUMRGR-MRXNPFEDSA-N -1 3 354.447 2.553 20 30 FFEDHM N#Cc1cccnc1OC1CCC(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000573912299 518896495 /nfs/dbraw/zinc/89/64/95/518896495.db2.gz VZIJCTNUSZLMHP-UHFFFAOYSA-N -1 3 369.396 2.847 20 30 FFEDHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000589686144 519063406 /nfs/dbraw/zinc/06/34/06/519063406.db2.gz VGWULGKZEPDCOQ-UHFFFAOYSA-N -1 3 371.396 2.556 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C3CCC3)cc2)nc(C)n1 ZINC000566552253 519548357 /nfs/dbraw/zinc/54/83/57/519548357.db2.gz LFOOOXDCAQDEKJ-QGZVFWFLSA-N -1 3 369.446 2.910 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](N)CCCCC#N)c2)n1 ZINC000594428225 519960256 /nfs/dbraw/zinc/96/02/56/519960256.db2.gz KLKQTYKPFLPBAD-MRXNPFEDSA-N -1 3 353.426 2.761 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594472896 519982326 /nfs/dbraw/zinc/98/23/26/519982326.db2.gz HJESULXEJNYTNU-GOEBONIOSA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594472897 519983114 /nfs/dbraw/zinc/98/31/14/519983114.db2.gz HJESULXEJNYTNU-HOCLYGCPSA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594474658 519984389 /nfs/dbraw/zinc/98/43/89/519984389.db2.gz QIFRXCGAEJJVHV-GDBMZVCRSA-N -1 3 354.859 2.838 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594486449 519996349 /nfs/dbraw/zinc/99/63/49/519996349.db2.gz GBMCGEZNTIBPIO-GXTWGEPZSA-N -1 3 362.373 2.645 20 30 FFEDHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000594706201 520101076 /nfs/dbraw/zinc/10/10/76/520101076.db2.gz QHNSURIFNKADRT-QGZVFWFLSA-N -1 3 351.472 2.937 20 30 FFEDHM COc1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c([O-])c1 ZINC000603161559 520126693 /nfs/dbraw/zinc/12/66/93/520126693.db2.gz OXODGCDDHNUPEY-MRXNPFEDSA-N -1 3 351.406 2.623 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)nc2ccccc12 ZINC000608835084 520140030 /nfs/dbraw/zinc/14/00/30/520140030.db2.gz DVTAAKBRXFASDH-UHFFFAOYSA-N -1 3 372.837 2.942 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CCO)C(C)C ZINC000594760728 520141243 /nfs/dbraw/zinc/14/12/43/520141243.db2.gz WGYSVEXPIWSLMI-AWEZNQCLSA-N -1 3 352.481 2.767 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CC12CCOCC2 ZINC000594779547 520153838 /nfs/dbraw/zinc/15/38/38/520153838.db2.gz USBQUGIADCVIKN-OAHLLOKOSA-N -1 3 362.476 2.929 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1 ZINC000594783129 520157165 /nfs/dbraw/zinc/15/71/65/520157165.db2.gz GGMREOBHRCEVHC-KBPBESRZSA-N -1 3 364.492 2.911 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)cc1 ZINC000609092057 520186818 /nfs/dbraw/zinc/18/68/18/520186818.db2.gz SMCKKEIQNMYEJS-UHFFFAOYSA-N -1 3 370.372 2.909 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)cc1 ZINC000609092057 520186824 /nfs/dbraw/zinc/18/68/24/520186824.db2.gz SMCKKEIQNMYEJS-UHFFFAOYSA-N -1 3 370.372 2.909 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)cc1 ZINC000609092057 520186828 /nfs/dbraw/zinc/18/68/28/520186828.db2.gz SMCKKEIQNMYEJS-UHFFFAOYSA-N -1 3 370.372 2.909 20 30 FFEDHM N#CCC1(CSc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)CC1 ZINC000594885838 520206142 /nfs/dbraw/zinc/20/61/42/520206142.db2.gz OPFQLFJXHFOILP-UHFFFAOYSA-N -1 3 369.450 2.890 20 30 FFEDHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000603378017 520240764 /nfs/dbraw/zinc/24/07/64/520240764.db2.gz VPBHUIXNFMZXLZ-UHFFFAOYSA-N -1 3 351.403 2.737 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)c(F)c1 ZINC000609233643 520241134 /nfs/dbraw/zinc/24/11/34/520241134.db2.gz PFPBCVZBTCXHHT-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000600668625 520386761 /nfs/dbraw/zinc/38/67/61/520386761.db2.gz RLOAMZVZJMKDAI-OLMNPRSZSA-N -1 3 368.474 2.775 20 30 FFEDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000595355467 520425400 /nfs/dbraw/zinc/42/54/00/520425400.db2.gz UPWZGBQDCSDDEK-DLBZAZTESA-N -1 3 350.484 2.748 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000598252522 520521051 /nfs/dbraw/zinc/52/10/51/520521051.db2.gz UXKAVQLJYKWTQA-SFHVURJKSA-N -1 3 351.406 2.718 20 30 FFEDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084688 520533409 /nfs/dbraw/zinc/53/34/09/520533409.db2.gz OPHMHPHLFGTGQM-OAHLLOKOSA-N -1 3 353.463 2.630 20 30 FFEDHM COc1ccccc1[C@@H]1C[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000598309178 520551771 /nfs/dbraw/zinc/55/17/71/520551771.db2.gz RMPUVSXFWKLRPS-FUHWJXTLSA-N -1 3 365.433 2.889 20 30 FFEDHM C[C@]1(C#N)CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000598408581 520602835 /nfs/dbraw/zinc/60/28/35/520602835.db2.gz LPGWSBPWTKPLQA-MRXNPFEDSA-N -1 3 365.311 2.802 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000610339356 520642190 /nfs/dbraw/zinc/64/21/90/520642190.db2.gz RJUHKBXFQMDTLL-LLVKDONJSA-N -1 3 364.398 2.754 20 30 FFEDHM CS(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)co1 ZINC000592999930 520676408 /nfs/dbraw/zinc/67/64/08/520676408.db2.gz WPQHXEJVWWYCRM-UHFFFAOYSA-N -1 3 350.421 2.747 20 30 FFEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CC2(C#N)CCOCC2)[nH][n-]1 ZINC000598680692 520783787 /nfs/dbraw/zinc/78/37/87/520783787.db2.gz FXMJMTMEAZJMOS-UHFFFAOYSA-N -1 3 374.828 2.810 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CCC1 ZINC000601443701 520788313 /nfs/dbraw/zinc/78/83/13/520788313.db2.gz KKQBAFYDWJXQSU-UHFFFAOYSA-N -1 3 361.398 2.985 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)cn1CC1CC1 ZINC000596043652 520874064 /nfs/dbraw/zinc/87/40/64/520874064.db2.gz BIHCQMKELZAYPY-DYVFJYSZSA-N -1 3 350.488 2.606 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1cccnc1OC1CCCC1 ZINC000593527928 521052900 /nfs/dbraw/zinc/05/29/00/521052900.db2.gz GCNSRPFRGFLZOQ-UHFFFAOYSA-N -1 3 363.464 2.815 20 30 FFEDHM CCCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593532381 521054414 /nfs/dbraw/zinc/05/44/14/521054414.db2.gz PXLNLSJEDZCWHA-UHFFFAOYSA-N -1 3 363.464 2.837 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000593538695 521061626 /nfs/dbraw/zinc/06/16/26/521061626.db2.gz URIISDZMHOWJBF-LBPRGKRZSA-N -1 3 365.455 2.564 20 30 FFEDHM C=C1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCCC)cc2)CC1 ZINC000606458094 521074714 /nfs/dbraw/zinc/07/47/14/521074714.db2.gz CIKGKHJUZSSMKH-UHFFFAOYSA-N -1 3 372.512 2.569 20 30 FFEDHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593573605 521084640 /nfs/dbraw/zinc/08/46/40/521084640.db2.gz YMTHIDVWIZBWIP-BZNIZROVSA-N -1 3 366.464 2.683 20 30 FFEDHM CC(C)(C)OC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)s2)CCC1 ZINC000593632831 521120887 /nfs/dbraw/zinc/12/08/87/521120887.db2.gz FHCWEJKZIGMYOM-UHFFFAOYSA-N -1 3 356.469 2.553 20 30 FFEDHM CC(C)(C)OC(=O)CC1([N-]S(=O)(=O)c2ccsc2C#N)CCC1 ZINC000593634258 521121010 /nfs/dbraw/zinc/12/10/10/521121010.db2.gz XXLTYXXDDKVABO-UHFFFAOYSA-N -1 3 356.469 2.553 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000599409126 521203817 /nfs/dbraw/zinc/20/38/17/521203817.db2.gz HHZPPYQKOSOPII-UONOGXRCSA-N -1 3 371.466 2.961 20 30 FFEDHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000611539335 521208720 /nfs/dbraw/zinc/20/87/20/521208720.db2.gz SMMIYTJCZOAMBE-BLLLJJGKSA-N -1 3 364.854 2.655 20 30 FFEDHM N#CCCN1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000602204820 521210882 /nfs/dbraw/zinc/21/08/82/521210882.db2.gz XMYMDTIWJYWMJA-UHFFFAOYSA-N -1 3 365.433 2.643 20 30 FFEDHM C[C@]1(c2ccc(NC(=O)CC3(C#N)CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000596811383 521302417 /nfs/dbraw/zinc/30/24/17/521302417.db2.gz CHXXQKMILOMZTJ-GOSISDBHSA-N -1 3 354.410 2.544 20 30 FFEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000619166691 521427560 /nfs/dbraw/zinc/42/75/60/521427560.db2.gz WALCMWDMAHACIT-YOEHRIQHSA-N -1 3 355.417 2.573 20 30 FFEDHM Cc1cc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1CO ZINC000615894412 521572205 /nfs/dbraw/zinc/57/22/05/521572205.db2.gz STDXTLVUZHDJAW-UHFFFAOYSA-N -1 3 353.422 2.956 20 30 FFEDHM C=CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])[C@H]2CCCO2)cc1OC ZINC000630466392 522865281 /nfs/dbraw/zinc/86/52/81/522865281.db2.gz ZRBKZXBFKXPKOS-UKRRQHHQSA-N -1 3 355.818 2.635 20 30 FFEDHM Cc1cc(=NC(=O)Cc2ccc(Br)cc2[O-])[nH]n1CCC#N ZINC000495436789 561487952 /nfs/dbraw/zinc/48/79/52/561487952.db2.gz XGQWSVDDGYUQAG-UHFFFAOYSA-N -1 3 363.215 2.755 20 30 FFEDHM COc1ccc([O-])c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 ZINC000511687998 561878357 /nfs/dbraw/zinc/87/83/57/561878357.db2.gz GXBUUBQGMXHZNN-UHFFFAOYSA-N -1 3 352.325 2.850 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC000601961025 567887185 /nfs/dbraw/zinc/88/71/85/567887185.db2.gz XVUPRHLTVUKHET-INIZCTEOSA-N -1 3 365.480 2.716 20 30 FFEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(CC#N)c1 ZINC000736040910 598886326 /nfs/dbraw/zinc/88/63/26/598886326.db2.gz RXXPKZBXBVNHKN-ZDUSSCGKSA-N -1 3 363.377 2.557 20 30 FFEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(CC#N)c1 ZINC000736040910 598886328 /nfs/dbraw/zinc/88/63/28/598886328.db2.gz RXXPKZBXBVNHKN-ZDUSSCGKSA-N -1 3 363.377 2.557 20 30 FFEDHM COc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737098212 598914026 /nfs/dbraw/zinc/91/40/26/598914026.db2.gz QYKIGNYNLASCSZ-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737098212 598914027 /nfs/dbraw/zinc/91/40/27/598914027.db2.gz QYKIGNYNLASCSZ-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737707899 598915762 /nfs/dbraw/zinc/91/57/62/598915762.db2.gz BXGAIENHHVOFED-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737707899 598915764 /nfs/dbraw/zinc/91/57/64/598915764.db2.gz BXGAIENHHVOFED-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM COc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000737082194 598924803 /nfs/dbraw/zinc/92/48/03/598924803.db2.gz DZADWTOBXYSQMK-UHFFFAOYSA-N -1 3 360.324 2.923 20 30 FFEDHM COc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000737082194 598924804 /nfs/dbraw/zinc/92/48/04/598924804.db2.gz DZADWTOBXYSQMK-UHFFFAOYSA-N -1 3 360.324 2.923 20 30 FFEDHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737138220 598925375 /nfs/dbraw/zinc/92/53/75/598925375.db2.gz LBCHZIMUIDJWEU-UHFFFAOYSA-N -1 3 362.393 2.663 20 30 FFEDHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737138220 598925377 /nfs/dbraw/zinc/92/53/77/598925377.db2.gz LBCHZIMUIDJWEU-UHFFFAOYSA-N -1 3 362.393 2.663 20 30 FFEDHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c21 ZINC000737407159 598925655 /nfs/dbraw/zinc/92/56/55/598925655.db2.gz ACHAETPCYRJCOV-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c21 ZINC000737407159 598925657 /nfs/dbraw/zinc/92/56/57/598925657.db2.gz ACHAETPCYRJCOV-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM N#Cc1cnc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(Cl)c1 ZINC000737728633 598940360 /nfs/dbraw/zinc/94/03/60/598940360.db2.gz RZMHFPGBUINVGN-UHFFFAOYSA-N -1 3 351.801 2.956 20 30 FFEDHM N#Cc1cnc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(Cl)c1 ZINC000737728633 598940362 /nfs/dbraw/zinc/94/03/62/598940362.db2.gz RZMHFPGBUINVGN-UHFFFAOYSA-N -1 3 351.801 2.956 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000819772245 607254289 /nfs/dbraw/zinc/25/42/89/607254289.db2.gz BCCQCINLSPMFAW-UHFFFAOYSA-N -1 3 358.409 2.566 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000819772245 607254290 /nfs/dbraw/zinc/25/42/90/607254290.db2.gz BCCQCINLSPMFAW-UHFFFAOYSA-N -1 3 358.409 2.566 20 30 FFEDHM N#Cc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1F ZINC000737722281 599167226 /nfs/dbraw/zinc/16/72/26/599167226.db2.gz RRPRGZFRWRXALS-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1F ZINC000737722281 599167230 /nfs/dbraw/zinc/16/72/30/599167230.db2.gz RRPRGZFRWRXALS-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM C#CCCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819692770 599191811 /nfs/dbraw/zinc/19/18/11/599191811.db2.gz KKTCEBYKYBKNOQ-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM N#Cc1cc(NC(=O)c2coc(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000737708113 599196478 /nfs/dbraw/zinc/19/64/78/599196478.db2.gz BGCAYBBDZDHVHS-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cc(NC(=O)c2coc(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000737708113 599196480 /nfs/dbraw/zinc/19/64/80/599196480.db2.gz BGCAYBBDZDHVHS-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM CN(CC#N)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736780813 599199931 /nfs/dbraw/zinc/19/99/31/599199931.db2.gz WHIHEQUXIXVDDD-UHFFFAOYSA-N -1 3 368.784 2.908 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819750446 599219955 /nfs/dbraw/zinc/21/99/55/599219955.db2.gz DWYITJOHRKHODB-UHFFFAOYSA-N -1 3 369.356 2.939 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819750446 599219956 /nfs/dbraw/zinc/21/99/56/599219956.db2.gz DWYITJOHRKHODB-UHFFFAOYSA-N -1 3 369.356 2.939 20 30 FFEDHM N#CCn1c(C(=O)OCc2ccccc2-c2nnn[n-]2)cc2ccccc21 ZINC000737705847 598289072 /nfs/dbraw/zinc/28/90/72/598289072.db2.gz REZSXLKJHZBQIG-UHFFFAOYSA-N -1 3 358.361 2.702 20 30 FFEDHM N#CCn1c(C(=O)OCc2ccccc2-c2nn[n-]n2)cc2ccccc21 ZINC000737705847 598289074 /nfs/dbraw/zinc/28/90/74/598289074.db2.gz REZSXLKJHZBQIG-UHFFFAOYSA-N -1 3 358.361 2.702 20 30 FFEDHM Oc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1O ZINC000738401946 598316388 /nfs/dbraw/zinc/31/63/88/598316388.db2.gz XXEUOKIOZJLTSM-UHFFFAOYSA-N -1 3 364.287 2.743 20 30 FFEDHM Oc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1O ZINC000738401946 598316389 /nfs/dbraw/zinc/31/63/89/598316389.db2.gz XXEUOKIOZJLTSM-UHFFFAOYSA-N -1 3 364.287 2.743 20 30 FFEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000737673714 598383775 /nfs/dbraw/zinc/38/37/75/598383775.db2.gz CNCOCVLNZLUMAG-BJIFSAINSA-N -1 3 364.796 2.914 20 30 FFEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000737673714 598383777 /nfs/dbraw/zinc/38/37/77/598383777.db2.gz CNCOCVLNZLUMAG-BJIFSAINSA-N -1 3 364.796 2.914 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736169720 598491983 /nfs/dbraw/zinc/49/19/83/598491983.db2.gz OMXVBRMWCJSDTG-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736169720 598491984 /nfs/dbraw/zinc/49/19/84/598491984.db2.gz OMXVBRMWCJSDTG-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCc1ccccc1Cl ZINC000737706432 598568155 /nfs/dbraw/zinc/56/81/55/598568155.db2.gz XQVCJEUOCWVWCK-UHFFFAOYSA-N -1 3 357.830 2.704 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCc1ccccc1Cl ZINC000737706432 598568157 /nfs/dbraw/zinc/56/81/57/598568157.db2.gz XQVCJEUOCWVWCK-UHFFFAOYSA-N -1 3 357.830 2.704 20 30 FFEDHM N#Cc1cc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)ccc1F ZINC000737709728 598603534 /nfs/dbraw/zinc/60/35/34/598603534.db2.gz NIZVGGZLPOHXLK-UHFFFAOYSA-N -1 3 371.763 2.581 20 30 FFEDHM N#Cc1cc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)ccc1F ZINC000737709728 598603535 /nfs/dbraw/zinc/60/35/35/598603535.db2.gz NIZVGGZLPOHXLK-UHFFFAOYSA-N -1 3 371.763 2.581 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735436634 598667281 /nfs/dbraw/zinc/66/72/81/598667281.db2.gz QBZVGCPFPPQUEN-VAWYXSNFSA-N -1 3 361.405 2.761 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735436634 598667283 /nfs/dbraw/zinc/66/72/83/598667283.db2.gz QBZVGCPFPPQUEN-VAWYXSNFSA-N -1 3 361.405 2.761 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735504560 598691397 /nfs/dbraw/zinc/69/13/97/598691397.db2.gz OXOXZNXFOLSABO-OAQYLSRUSA-N -1 3 374.448 2.831 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735504560 598691398 /nfs/dbraw/zinc/69/13/98/598691398.db2.gz OXOXZNXFOLSABO-OAQYLSRUSA-N -1 3 374.448 2.831 20 30 FFEDHM N#Cc1ccc(F)c(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737717589 598714264 /nfs/dbraw/zinc/71/42/64/598714264.db2.gz GQPARGDZZYALEO-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(F)c(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737717589 598714267 /nfs/dbraw/zinc/71/42/67/598714267.db2.gz GQPARGDZZYALEO-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735803438 598752273 /nfs/dbraw/zinc/75/22/73/598752273.db2.gz DMWQRQGUISPOKI-UHFFFAOYSA-N -1 3 372.498 2.888 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735803438 598752274 /nfs/dbraw/zinc/75/22/74/598752274.db2.gz DMWQRQGUISPOKI-UHFFFAOYSA-N -1 3 372.498 2.888 20 30 FFEDHM C#CCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819701886 599295358 /nfs/dbraw/zinc/29/53/58/599295358.db2.gz PABVHEHKBLWUSN-UHFFFAOYSA-N -1 3 352.329 2.553 20 30 FFEDHM C#CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819701886 599295359 /nfs/dbraw/zinc/29/53/59/599295359.db2.gz PABVHEHKBLWUSN-UHFFFAOYSA-N -1 3 352.329 2.553 20 30 FFEDHM C=C(Cl)CNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735402324 599389663 /nfs/dbraw/zinc/38/96/63/599389663.db2.gz QRRRLFJTDWUKBG-UHFFFAOYSA-N -1 3 369.812 2.928 20 30 FFEDHM C=C(Cl)CNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735402324 599389666 /nfs/dbraw/zinc/38/96/66/599389666.db2.gz QRRRLFJTDWUKBG-UHFFFAOYSA-N -1 3 369.812 2.928 20 30 FFEDHM C=C(Cl)CNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735402546 599390053 /nfs/dbraw/zinc/39/00/53/599390053.db2.gz WKMZJXRCSOXISS-UHFFFAOYSA-N -1 3 359.773 2.521 20 30 FFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc(C#N)ccc1OC ZINC000821395273 607377056 /nfs/dbraw/zinc/37/70/56/607377056.db2.gz VJHFIUYFILFSEA-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cc(C#N)ccc1OC ZINC000821395273 607377058 /nfs/dbraw/zinc/37/70/58/607377058.db2.gz VJHFIUYFILFSEA-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCC#Cc1ccccc1 ZINC000820536484 599625213 /nfs/dbraw/zinc/62/52/13/599625213.db2.gz UVDLRQIAMAPCFL-OAHLLOKOSA-N -1 3 362.389 2.619 20 30 FFEDHM C=CCOc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000823931613 607419933 /nfs/dbraw/zinc/41/99/33/607419933.db2.gz BHRBEIWDQXXAIA-UHFFFAOYSA-N -1 3 361.405 2.851 20 30 FFEDHM C=CCOc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000823931613 607419935 /nfs/dbraw/zinc/41/99/35/607419935.db2.gz BHRBEIWDQXXAIA-UHFFFAOYSA-N -1 3 361.405 2.851 20 30 FFEDHM CN(C)C(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000830563393 600753883 /nfs/dbraw/zinc/75/38/83/600753883.db2.gz JLFRTAWCCZFFIK-QGZVFWFLSA-N -1 3 352.394 2.567 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000832877711 601530317 /nfs/dbraw/zinc/53/03/17/601530317.db2.gz XAYQLCSLUJCMSE-XYJFISCASA-N -1 3 357.454 2.591 20 30 FFEDHM CCOc1cc(C#N)ccc1OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825615781 607542484 /nfs/dbraw/zinc/54/24/84/607542484.db2.gz KJTNYXONIPIMLG-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM CCOc1cc(C#N)ccc1OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825615781 607542486 /nfs/dbraw/zinc/54/24/86/607542486.db2.gz KJTNYXONIPIMLG-UHFFFAOYSA-N -1 3 351.366 2.725 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC#Cc1ccccc1Cl ZINC000826383486 607543125 /nfs/dbraw/zinc/54/31/25/607543125.db2.gz CNCOJQOXXKNTFD-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC#Cc1ccccc1Cl ZINC000826383486 607543127 /nfs/dbraw/zinc/54/31/27/607543127.db2.gz CNCOJQOXXKNTFD-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823937119 607576243 /nfs/dbraw/zinc/57/62/43/607576243.db2.gz IUPADWASRUXAPG-UHFFFAOYSA-N -1 3 356.407 2.671 20 30 FFEDHM O=C1c2cc(F)cc(F)c2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826476350 607681679 /nfs/dbraw/zinc/68/16/79/607681679.db2.gz FZHGRWUYHRKSPE-XCVCLJGOSA-N -1 3 364.315 2.615 20 30 FFEDHM O=C1c2cc(F)cc(F)c2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826476350 607681681 /nfs/dbraw/zinc/68/16/81/607681681.db2.gz FZHGRWUYHRKSPE-XCVCLJGOSA-N -1 3 364.315 2.615 20 30 FFEDHM CN(Cc1ccc(C(=O)NC2CC2)cc1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833695966 604615443 /nfs/dbraw/zinc/61/54/43/604615443.db2.gz BXKHPGNOUURFLF-IBGZPJMESA-N -1 3 363.417 2.708 20 30 FFEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000833412227 605182198 /nfs/dbraw/zinc/18/21/98/605182198.db2.gz IRHDDLYZHMFRMB-KRWDZBQOSA-N -1 3 357.454 2.771 20 30 FFEDHM C=CCCCN(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823894365 607766789 /nfs/dbraw/zinc/76/67/89/607766789.db2.gz OHIOYJQDGBTUBE-UHFFFAOYSA-N -1 3 373.417 2.865 20 30 FFEDHM C=CCCCN(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823894365 607766790 /nfs/dbraw/zinc/76/67/90/607766790.db2.gz OHIOYJQDGBTUBE-UHFFFAOYSA-N -1 3 373.417 2.865 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(-c3nnn[n-]3)nc2)ccc1OC ZINC000820842437 606083010 /nfs/dbraw/zinc/08/30/10/606083010.db2.gz MUSRVRLGEHWSIO-CQSZACIVSA-N -1 3 365.397 2.563 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)nc2)ccc1OC ZINC000820842437 606083014 /nfs/dbraw/zinc/08/30/14/606083014.db2.gz MUSRVRLGEHWSIO-CQSZACIVSA-N -1 3 365.397 2.563 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)CCC(C)C ZINC000821763275 606152292 /nfs/dbraw/zinc/15/22/92/606152292.db2.gz XIFIABFCAKMSFF-UHFFFAOYSA-N -1 3 357.418 2.669 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)CCC(C)C ZINC000821763275 606152294 /nfs/dbraw/zinc/15/22/94/606152294.db2.gz XIFIABFCAKMSFF-UHFFFAOYSA-N -1 3 357.418 2.669 20 30 FFEDHM N#C[C@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000822801942 606183883 /nfs/dbraw/zinc/18/38/83/606183883.db2.gz RYMCAUIOJFDYQC-BLIJAFNYSA-N -1 3 359.389 2.806 20 30 FFEDHM N#C[C@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000822801942 606183885 /nfs/dbraw/zinc/18/38/85/606183885.db2.gz RYMCAUIOJFDYQC-BLIJAFNYSA-N -1 3 359.389 2.806 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H]1CCc2ccc(F)cc21 ZINC000822818809 606328716 /nfs/dbraw/zinc/32/87/16/606328716.db2.gz GEUVRCFYWMWFBR-ZDUSSCGKSA-N -1 3 353.386 2.634 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H]1CCc2ccc(F)cc21 ZINC000822818809 606328717 /nfs/dbraw/zinc/32/87/17/606328717.db2.gz GEUVRCFYWMWFBR-ZDUSSCGKSA-N -1 3 353.386 2.634 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821694030 606339371 /nfs/dbraw/zinc/33/93/71/606339371.db2.gz ZYAUVPZBZHKUMC-MDZDMXLPSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821694030 606339372 /nfs/dbraw/zinc/33/93/72/606339372.db2.gz ZYAUVPZBZHKUMC-MDZDMXLPSA-N -1 3 350.378 2.788 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1NC(C)=O ZINC000821770027 606390669 /nfs/dbraw/zinc/39/06/69/606390669.db2.gz NPOIISSPDSZNKL-GQCTYLIASA-N -1 3 369.406 2.791 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000820086760 606506254 /nfs/dbraw/zinc/50/62/54/606506254.db2.gz DWVIOKRPLWOINY-UHFFFAOYSA-N -1 3 374.448 2.966 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000820086760 606506256 /nfs/dbraw/zinc/50/62/56/606506256.db2.gz DWVIOKRPLWOINY-UHFFFAOYSA-N -1 3 374.448 2.966 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822800946 606545117 /nfs/dbraw/zinc/54/51/17/606545117.db2.gz BGCPUTRXUFEZAK-HUUCEWRRSA-N -1 3 364.434 2.840 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822800946 606545119 /nfs/dbraw/zinc/54/51/19/606545119.db2.gz BGCPUTRXUFEZAK-HUUCEWRRSA-N -1 3 364.434 2.840 20 30 FFEDHM CN1N=C(c2ccc(-c3nnn[n-]3)cc2)CS/C1=N/Cc1ccccc1 ZINC000821629752 606631596 /nfs/dbraw/zinc/63/15/96/606631596.db2.gz ARAWPRSGLSNZDQ-VHEBQXMUSA-N -1 3 363.450 2.806 20 30 FFEDHM CN1N=C(c2ccc(-c3nn[n-]n3)cc2)CS/C1=N/Cc1ccccc1 ZINC000821629752 606631598 /nfs/dbraw/zinc/63/15/98/606631598.db2.gz ARAWPRSGLSNZDQ-VHEBQXMUSA-N -1 3 363.450 2.806 20 30 FFEDHM Cc1sc(NC(=O)c2c(F)cc(C#N)cc2F)c(-c2nnn[n-]2)c1C ZINC000822563770 606664789 /nfs/dbraw/zinc/66/47/89/606664789.db2.gz OEOAGGVIKQXPIL-UHFFFAOYSA-N -1 3 360.349 2.947 20 30 FFEDHM Cc1sc(NC(=O)c2c(F)cc(C#N)cc2F)c(-c2nn[n-]n2)c1C ZINC000822563770 606664790 /nfs/dbraw/zinc/66/47/90/606664790.db2.gz OEOAGGVIKQXPIL-UHFFFAOYSA-N -1 3 360.349 2.947 20 30 FFEDHM C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820386159 606666800 /nfs/dbraw/zinc/66/68/00/606666800.db2.gz WWUJYMBKFWPYBF-VIFPVBQESA-N -1 3 354.320 2.508 20 30 FFEDHM C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820386159 606666801 /nfs/dbraw/zinc/66/68/01/606666801.db2.gz WWUJYMBKFWPYBF-VIFPVBQESA-N -1 3 354.320 2.508 20 30 FFEDHM CC(C)(C)c1csc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)n1 ZINC000819966051 606702966 /nfs/dbraw/zinc/70/29/66/606702966.db2.gz ULECRRAPUSBPGI-UHFFFAOYSA-N -1 3 372.483 2.762 20 30 FFEDHM CC(C)(C)c1csc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)n1 ZINC000819966051 606702967 /nfs/dbraw/zinc/70/29/67/606702967.db2.gz ULECRRAPUSBPGI-UHFFFAOYSA-N -1 3 372.483 2.762 20 30 FFEDHM C=CCN(Cc1ccc(C(=O)OC)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745891 606880011 /nfs/dbraw/zinc/88/00/11/606880011.db2.gz TUAUPUUADSTVHV-UHFFFAOYSA-N -1 3 369.450 2.903 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](Sc3cccc(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000822829973 607015473 /nfs/dbraw/zinc/01/54/73/607015473.db2.gz RQMLXTASPYDAFP-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](Sc3cccc(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000822829973 607015474 /nfs/dbraw/zinc/01/54/74/607015474.db2.gz RQMLXTASPYDAFP-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM C=CCn1c(Sc2ccc(-c3nnn[n-]3)cn2)nnc1-c1cccs1 ZINC000819764440 607036116 /nfs/dbraw/zinc/03/61/16/607036116.db2.gz GYBCEPALZYPMDU-UHFFFAOYSA-N -1 3 368.451 2.919 20 30 FFEDHM C=CCn1c(Sc2ccc(-c3nn[n-]n3)cn2)nnc1-c1cccs1 ZINC000819764440 607036118 /nfs/dbraw/zinc/03/61/18/607036118.db2.gz GYBCEPALZYPMDU-UHFFFAOYSA-N -1 3 368.451 2.919 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820004944 607082352 /nfs/dbraw/zinc/08/23/52/607082352.db2.gz FWCVPBDWWOPAAH-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820004944 607082354 /nfs/dbraw/zinc/08/23/54/607082354.db2.gz FWCVPBDWWOPAAH-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(C#N)cc1 ZINC000820005226 607089270 /nfs/dbraw/zinc/08/92/70/607089270.db2.gz NHUFOZCNSCUAAV-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(C#N)cc1 ZINC000820005226 607089272 /nfs/dbraw/zinc/08/92/72/607089272.db2.gz NHUFOZCNSCUAAV-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822830163 607195750 /nfs/dbraw/zinc/19/57/50/607195750.db2.gz VZXQDRLAVJOQIY-UHFFFAOYSA-N -1 3 353.773 2.713 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822830163 607195751 /nfs/dbraw/zinc/19/57/51/607195751.db2.gz VZXQDRLAVJOQIY-UHFFFAOYSA-N -1 3 353.773 2.713 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(C#N)cc1F ZINC000820005766 607245845 /nfs/dbraw/zinc/24/58/45/607245845.db2.gz XPBPXKKAHNNYSS-UHFFFAOYSA-N -1 3 367.340 2.640 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1F ZINC000820005766 607245846 /nfs/dbraw/zinc/24/58/46/607245846.db2.gz XPBPXKKAHNNYSS-UHFFFAOYSA-N -1 3 367.340 2.640 20 30 FFEDHM FC(F)(F)c1ccc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)nn1 ZINC000826368895 607844010 /nfs/dbraw/zinc/84/40/10/607844010.db2.gz FMQFWEVRHBHCSS-UHFFFAOYSA-N -1 3 373.302 2.603 20 30 FFEDHM FC(F)(F)c1ccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)nn1 ZINC000826368895 607844011 /nfs/dbraw/zinc/84/40/11/607844011.db2.gz FMQFWEVRHBHCSS-UHFFFAOYSA-N -1 3 373.302 2.603 20 30 FFEDHM N#Cc1c(F)cccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826383399 607866530 /nfs/dbraw/zinc/86/65/30/607866530.db2.gz YWQUGNOIJMLGAA-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1c(F)cccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826383399 607866531 /nfs/dbraw/zinc/86/65/31/607866531.db2.gz YWQUGNOIJMLGAA-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM CC(C)c1nc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c2ccccn21 ZINC000824358637 607889264 /nfs/dbraw/zinc/88/92/64/607889264.db2.gz NYAFGISQAVTBDE-UHFFFAOYSA-N -1 3 360.425 2.762 20 30 FFEDHM COc1ccccc1NC(=S)NN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC000826220278 608092080 /nfs/dbraw/zinc/09/20/80/608092080.db2.gz IOFYWGLSGLJVAR-UHFFFAOYSA-N -1 3 373.467 2.647 20 30 FFEDHM O=C1c2cc(Cl)ccc2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826476467 608095138 /nfs/dbraw/zinc/09/51/38/608095138.db2.gz IJUIYKKCMVHLOI-SDQBBNPISA-N -1 3 362.780 2.990 20 30 FFEDHM O=C1c2cc(Cl)ccc2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826476467 608095139 /nfs/dbraw/zinc/09/51/39/608095139.db2.gz IJUIYKKCMVHLOI-SDQBBNPISA-N -1 3 362.780 2.990 20 30 FFEDHM C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824712525 608183215 /nfs/dbraw/zinc/18/32/15/608183215.db2.gz APMARJVTRFLDAR-SECBINFHSA-N -1 3 355.304 2.935 20 30 FFEDHM C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824712525 608183217 /nfs/dbraw/zinc/18/32/17/608183217.db2.gz APMARJVTRFLDAR-SECBINFHSA-N -1 3 355.304 2.935 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1)C1CC1 ZINC000823903702 608268883 /nfs/dbraw/zinc/26/88/83/608268883.db2.gz HWGPPSYSBYUJPK-UHFFFAOYSA-N -1 3 371.401 2.617 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1)C1CC1 ZINC000823903702 608268885 /nfs/dbraw/zinc/26/88/85/608268885.db2.gz HWGPPSYSBYUJPK-UHFFFAOYSA-N -1 3 371.401 2.617 20 30 FFEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826384077 608442544 /nfs/dbraw/zinc/44/25/44/608442544.db2.gz GBYJXWYMFBZOOT-UHFFFAOYSA-N -1 3 373.376 2.940 20 30 FFEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826384077 608442545 /nfs/dbraw/zinc/44/25/45/608442545.db2.gz GBYJXWYMFBZOOT-UHFFFAOYSA-N -1 3 373.376 2.940 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826386167 608446873 /nfs/dbraw/zinc/44/68/73/608446873.db2.gz RWOSPOUGDOYDJS-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826386167 608446875 /nfs/dbraw/zinc/44/68/75/608446875.db2.gz RWOSPOUGDOYDJS-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc3c2OCCCO3)n1 ZINC000826350021 608539139 /nfs/dbraw/zinc/53/91/39/608539139.db2.gz FEFHUSYWQJGTFE-UHFFFAOYSA-N -1 3 371.788 2.522 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc3c2OCCCO3)n1 ZINC000826350021 608539140 /nfs/dbraw/zinc/53/91/40/608539140.db2.gz FEFHUSYWQJGTFE-UHFFFAOYSA-N -1 3 371.788 2.522 20 30 FFEDHM COc1cccc2c1OCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826218173 608540797 /nfs/dbraw/zinc/54/07/97/608540797.db2.gz RKIUDRMSWNJGLG-UHFFFAOYSA-N -1 3 371.788 2.522 20 30 FFEDHM COc1cccc2c1OCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826218173 608540798 /nfs/dbraw/zinc/54/07/98/608540798.db2.gz RKIUDRMSWNJGLG-UHFFFAOYSA-N -1 3 371.788 2.522 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825976980 608575295 /nfs/dbraw/zinc/57/52/95/608575295.db2.gz UOBGJPSMQQLCEF-UHFFFAOYSA-N -1 3 352.785 2.664 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825976980 608575296 /nfs/dbraw/zinc/57/52/96/608575296.db2.gz UOBGJPSMQQLCEF-UHFFFAOYSA-N -1 3 352.785 2.664 20 30 FFEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826387001 609231661 /nfs/dbraw/zinc/23/16/61/609231661.db2.gz BLOPWGVMCWCFNR-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826387001 609231662 /nfs/dbraw/zinc/23/16/62/609231662.db2.gz BLOPWGVMCWCFNR-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3cc(-c4nnn[n-]4)ccc3F)cc2)CC1 ZINC000826380710 609234752 /nfs/dbraw/zinc/23/47/52/609234752.db2.gz KBOPCJWUEAGPSN-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)cc2)CC1 ZINC000826380710 609234753 /nfs/dbraw/zinc/23/47/53/609234753.db2.gz KBOPCJWUEAGPSN-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM C=CCC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)C1CC1 ZINC000823894202 609239801 /nfs/dbraw/zinc/23/98/01/609239801.db2.gz JWKSZNJDQOEPQK-GOSISDBHSA-N -1 3 368.485 2.985 20 30 FFEDHM C=CCC[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)C1CC1 ZINC000823894202 609239802 /nfs/dbraw/zinc/23/98/02/609239802.db2.gz JWKSZNJDQOEPQK-GOSISDBHSA-N -1 3 368.485 2.985 20 30 FFEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400579 609308363 /nfs/dbraw/zinc/30/83/63/609308363.db2.gz BTCOULCRRZYRCQ-HJWRWDBZSA-N -1 3 356.183 2.920 20 30 FFEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400579 609308364 /nfs/dbraw/zinc/30/83/64/609308364.db2.gz BTCOULCRRZYRCQ-HJWRWDBZSA-N -1 3 356.183 2.920 20 30 FFEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cn2)c1 ZINC000826387517 609434593 /nfs/dbraw/zinc/43/45/93/609434593.db2.gz ZBYPFDVDTMLNQJ-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cn2)c1 ZINC000826387517 609434596 /nfs/dbraw/zinc/43/45/96/609434596.db2.gz ZBYPFDVDTMLNQJ-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1c(C)nn(C(C)C)c1C ZINC000743448183 735298100 /nfs/dbraw/zinc/29/81/00/735298100.db2.gz CMBRLLYBQBMCPE-UHFFFAOYSA-N -1 3 362.499 2.967 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccc(N2CCCCC2)o1 ZINC000743448745 735298587 /nfs/dbraw/zinc/29/85/87/735298587.db2.gz CTDCNBRBFAFRII-UHFFFAOYSA-N -1 3 361.467 2.766 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1C ZINC000129681211 728712724 /nfs/dbraw/zinc/71/27/24/728712724.db2.gz BIQOMJBIHSLJQI-SNVBAGLBSA-N -1 3 351.193 2.997 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000640307974 730141662 /nfs/dbraw/zinc/14/16/62/730141662.db2.gz BPFXMRLHKGSXRR-UHFFFAOYSA-N -1 3 363.259 2.867 20 30 FFEDHM C=CCCC(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000856374256 730330466 /nfs/dbraw/zinc/33/04/66/730330466.db2.gz UHGKVGNPJRJVSX-UHFFFAOYSA-N -1 3 356.463 2.987 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857310876 730390821 /nfs/dbraw/zinc/39/08/21/730390821.db2.gz JMTWITXKLQDYSI-UHFFFAOYSA-N -1 3 357.328 2.828 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000862566094 730709496 /nfs/dbraw/zinc/70/94/96/730709496.db2.gz HWBPIACBJGZYCZ-LLVKDONJSA-N -1 3 359.223 2.776 20 30 FFEDHM CCOc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(C(F)(F)F)c1 ZINC000878461508 732536828 /nfs/dbraw/zinc/53/68/28/732536828.db2.gz AZVUYDDYJJQYSJ-GFCCVEGCSA-N -1 3 361.320 2.606 20 30 FFEDHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N[C@H]1CCCN([O-])C1=O ZINC000878643704 732571119 /nfs/dbraw/zinc/57/11/19/732571119.db2.gz OIJMCTUGTZRZKA-JTQLQIEISA-N -1 3 367.274 2.842 20 30 FFEDHM C=CCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H](C)COC ZINC000664470798 732588002 /nfs/dbraw/zinc/58/80/02/732588002.db2.gz HUXRVEJMIHQSFK-LLVKDONJSA-N -1 3 357.248 2.887 20 30 FFEDHM C=C1CCC(CNC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000926543869 738628212 /nfs/dbraw/zinc/62/82/12/738628212.db2.gz SPXNBFNFWGAYTB-UHFFFAOYSA-N -1 3 361.408 2.833 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H](CC)OCC)no2)ccc1F ZINC000665033071 732663291 /nfs/dbraw/zinc/66/32/91/732663291.db2.gz PJJLHMMYZQGCHN-ZDUSSCGKSA-N -1 3 369.418 2.828 20 30 FFEDHM COCC#CCN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000677818173 733968146 /nfs/dbraw/zinc/96/81/46/733968146.db2.gz GXOZVDIDTTWLJO-UHFFFAOYSA-N -1 3 358.463 2.569 20 30 FFEDHM N#CCCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728723536 734541711 /nfs/dbraw/zinc/54/17/11/734541711.db2.gz BDGKHHYXQDLKOI-UHFFFAOYSA-N -1 3 365.386 2.805 20 30 FFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCCCC#N ZINC000730813386 734651138 /nfs/dbraw/zinc/65/11/38/734651138.db2.gz HUNYLUKAHFKQRC-UHFFFAOYSA-N -1 3 365.224 2.569 20 30 FFEDHM CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(Br)cc(F)c1[O-] ZINC000783864620 738843624 /nfs/dbraw/zinc/84/36/24/738843624.db2.gz WITUFZLNSWYDFN-STQMWFEESA-N -1 3 369.238 2.878 20 30 FFEDHM O=c1nc(C=N[O-])ccn1CCCCOc1cccc(C(F)(F)F)c1 ZINC000736302482 734981391 /nfs/dbraw/zinc/98/13/91/734981391.db2.gz LHBNTNNLWVEIMB-UHFFFAOYSA-N -1 3 355.316 2.929 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1c(Cl)nc2ccccn21 ZINC000737430667 735009208 /nfs/dbraw/zinc/00/92/08/735009208.db2.gz YEKXPSOOBJIUHH-UHFFFAOYSA-N -1 3 362.842 2.831 20 30 FFEDHM N#Cc1c(Br)cccc1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000897347225 735223260 /nfs/dbraw/zinc/22/32/60/735223260.db2.gz IPUBYROFTSLUEO-JTQLQIEISA-N -1 3 360.215 2.507 20 30 FFEDHM COC[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC000900677646 735678659 /nfs/dbraw/zinc/67/86/59/735678659.db2.gz AABYYMUVNPGCIB-ZDUSSCGKSA-N -1 3 358.822 2.598 20 30 FFEDHM CS(=O)(=O)c1ccc(Cl)c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901376292 735772437 /nfs/dbraw/zinc/77/24/37/735772437.db2.gz SONQZKFOSQWKBS-UHFFFAOYSA-N -1 3 357.790 2.914 20 30 FFEDHM C=CCN(CC(=O)[O-])Cc1cc(Br)c2c(c1)OCCCO2 ZINC000901585606 735798651 /nfs/dbraw/zinc/79/86/51/735798651.db2.gz AVJXMPYJGZTJIQ-UHFFFAOYSA-N -1 3 356.216 2.683 20 30 FFEDHM C=CCN(CC(=O)[O-])Cc1cc(Br)c(OCC)c(OC)c1 ZINC000901585709 735798812 /nfs/dbraw/zinc/79/88/12/735798812.db2.gz BYYLIDXHFPSYEN-UHFFFAOYSA-N -1 3 358.232 2.929 20 30 FFEDHM C#Cc1ccc([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)c(Cl)c1 ZINC000901963891 735880431 /nfs/dbraw/zinc/88/04/31/735880431.db2.gz ZHKOXZQHEBSXAX-MRXNPFEDSA-N -1 3 357.859 2.647 20 30 FFEDHM COc1cc(C=CC(=O)C2=C(C)N=C3N=NNN3[C@H]2C)cc(Cl)c1[O-] ZINC000752881513 736020235 /nfs/dbraw/zinc/02/02/35/736020235.db2.gz KZPIUYFFBCVOCJ-WBSSQXGSSA-N -1 3 361.789 2.856 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CCCCC2)ccc1F ZINC000757723706 736422628 /nfs/dbraw/zinc/42/26/28/736422628.db2.gz VLFGXAHECNYBQH-UHFFFAOYSA-N -1 3 368.474 2.990 20 30 FFEDHM C=CCCc1noc([C@H](CCSC)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000906116470 736459086 /nfs/dbraw/zinc/45/90/86/736459086.db2.gz REVIVUVYUGQSNY-AWEZNQCLSA-N -1 3 367.496 2.961 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908885129 736852005 /nfs/dbraw/zinc/85/20/05/736852005.db2.gz RATODBBVNUWOJP-IMJJTQAJSA-N -1 3 365.861 2.717 20 30 FFEDHM COc1cccc(S(C)(=O)=O)c1N=NC(C)c1ccc([O-])c(F)c1 ZINC000767393159 737321300 /nfs/dbraw/zinc/32/13/00/737321300.db2.gz BGXSQLFDQMDLGF-UHFFFAOYSA-N -1 3 352.387 2.780 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC3CCC2CC3)ccc1F ZINC000769335386 737519684 /nfs/dbraw/zinc/51/96/84/737519684.db2.gz PQWBYLRLUSHUOM-SEEARECTSA-N -1 3 366.458 2.599 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCC2CC2)ccc1F ZINC000769533533 737540430 /nfs/dbraw/zinc/54/04/30/737540430.db2.gz DWFAUJYXZDFIKJ-GFCCVEGCSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(F)c2)ccc1F ZINC000914658761 737587570 /nfs/dbraw/zinc/58/75/70/737587570.db2.gz BCIZMGJVBJUXNZ-UHFFFAOYSA-N -1 3 367.373 2.786 20 30 FFEDHM Cc1noc(C)c1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916320801 737696785 /nfs/dbraw/zinc/69/67/85/737696785.db2.gz KKOJXMISQVMYJA-CQSZACIVSA-N -1 3 357.395 2.566 20 30 FFEDHM CCCCCCCCOC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000918493995 737806589 /nfs/dbraw/zinc/80/65/89/737806589.db2.gz KBYAFUPUWKKRTM-UHFFFAOYSA-N -1 3 352.456 2.629 20 30 FFEDHM COc1cccc(C=N[N-]S(=O)(=O)Cc2ccccc2)c1OC(F)F ZINC000920383736 737904330 /nfs/dbraw/zinc/90/43/30/737904330.db2.gz OHLXPFSMBNFOFY-UHFFFAOYSA-N -1 3 370.377 2.750 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000795565980 740038306 /nfs/dbraw/zinc/03/83/06/740038306.db2.gz GOBFEHWQAPKRHM-PXAZEXFGSA-N -1 3 368.430 2.753 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccsc2)ccc1F ZINC000801016100 740578106 /nfs/dbraw/zinc/57/81/06/740578106.db2.gz QVOJEAUUPBBGAV-NSHDSACASA-N -1 3 368.455 2.843 20 30 FFEDHM C[C@@H](CC(=O)OCCCCCCF)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000810911088 741461008 /nfs/dbraw/zinc/46/10/08/741461008.db2.gz MEGYETWHLDZDNU-ZDUSSCGKSA-N -1 3 370.446 2.577 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000811186735 741492197 /nfs/dbraw/zinc/49/21/97/741492197.db2.gz WWHVWRPPDIZONV-UHFFFAOYSA-N -1 3 352.268 2.957 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cccnc2Br)c1 ZINC000811823995 741563884 /nfs/dbraw/zinc/56/38/84/741563884.db2.gz CCMAKOJGNOYDRC-UHFFFAOYSA-N -1 3 352.213 2.711 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CCCC)ccc1F ZINC000813302378 741700125 /nfs/dbraw/zinc/70/01/25/741700125.db2.gz CZWPRMLNVBIYLP-CYBMUJFWSA-N -1 3 356.463 2.941 20 30 FFEDHM C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C ZINC000813780042 741763109 /nfs/dbraw/zinc/76/31/09/741763109.db2.gz LCSKBRKRZRRHFO-OAHLLOKOSA-N -1 3 368.474 2.680 20 30 FFEDHM COCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(Cl)c1F ZINC000814816080 741867684 /nfs/dbraw/zinc/86/76/84/741867684.db2.gz JFGMCMBHWDLJBI-UHFFFAOYSA-N -1 3 370.833 2.949 20 30 FFEDHM CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1csc(-c2cccs2)n1 ZINC000816757363 742059357 /nfs/dbraw/zinc/05/93/57/742059357.db2.gz QWLAKYNAEJCHTA-JTQLQIEISA-N -1 3 365.480 2.646 20 30 FFEDHM Nc1ccc2c(c1)C(=N[N-]S(=O)(=O)CCc1ccccc1)CCCC2 ZINC000817325583 742124425 /nfs/dbraw/zinc/12/44/25/742124425.db2.gz KEXOXCOHAAQKPO-UHFFFAOYSA-N -1 3 357.479 2.861 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(S(=O)(=O)C(F)F)c2)nc(C)n1 ZINC000817714118 742200799 /nfs/dbraw/zinc/20/07/99/742200799.db2.gz KKUQOPJPBHYBLP-CYBMUJFWSA-N -1 3 365.361 2.580 20 30 FFEDHM O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000820471253 742508713 /nfs/dbraw/zinc/50/87/13/742508713.db2.gz QPBMNDCRABPZGN-GCLPIYDQSA-N -1 3 362.735 2.868 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000820476793 742509833 /nfs/dbraw/zinc/50/98/33/742509833.db2.gz QAZJKYPICJNNIJ-HNNXBMFYSA-N -1 3 359.813 2.876 20 30 FFEDHM CC(=NNc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962899 743004956 /nfs/dbraw/zinc/00/49/56/743004956.db2.gz RBIUCOIKWMJAFL-UHFFFAOYSA-N -1 3 364.232 2.922 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)Cc1c(Cl)cccc1C(=O)NO[C@@H](C)C=C ZINC000824233537 743040931 /nfs/dbraw/zinc/04/09/31/743040931.db2.gz UAYFURDIXVJSEW-RYUDHWBXSA-N -1 3 352.818 2.741 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)SCC(=O)N2 ZINC000826481970 743389080 /nfs/dbraw/zinc/38/90/80/743389080.db2.gz OAYJIPNRBPGBCJ-ZZXKWVIFSA-N -1 3 369.431 2.869 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)SCC(=O)N2 ZINC000826481970 743389090 /nfs/dbraw/zinc/38/90/90/743389090.db2.gz OAYJIPNRBPGBCJ-ZZXKWVIFSA-N -1 3 369.431 2.869 20 30 FFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC(C)(C)CC#N)CCCCC1 ZINC000830919182 745450525 /nfs/dbraw/zinc/45/05/25/745450525.db2.gz WCTLFZAUFKPNAI-UHFFFAOYSA-N -1 3 358.504 2.890 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@H](CC(=O)OC)Cc1cc(F)c(F)cc1F ZINC000839915162 746960005 /nfs/dbraw/zinc/96/00/05/746960005.db2.gz YRFVGDXTLGWLSI-JTQLQIEISA-N -1 3 365.298 2.906 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C3CCC3)C2)ccc1F ZINC000840573226 747128979 /nfs/dbraw/zinc/12/89/79/747128979.db2.gz NWGQWPDXNNVDII-OAHLLOKOSA-N -1 3 366.458 2.552 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000842360753 747579292 /nfs/dbraw/zinc/57/92/92/747579292.db2.gz DFMDMHDBGYCBEL-UHFFFAOYSA-N -1 3 362.495 2.841 20 30 FFEDHM N#CC(C(=O)C=C[C@H]1CCOC1)=C([O-])c1sccc1Br ZINC000845844637 748336151 /nfs/dbraw/zinc/33/61/51/748336151.db2.gz JTUPOKSZAJUYRH-MTVLHHSESA-N -1 3 354.225 2.995 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)CCOc1cccc(I)c1 ZINC000846555858 748501215 /nfs/dbraw/zinc/50/12/15/748501215.db2.gz VARGTQPWXDBEEG-JTQLQIEISA-N -1 3 361.179 2.682 20 30 FFEDHM C=CCNC(=S)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000853038930 749991175 /nfs/dbraw/zinc/99/11/75/749991175.db2.gz HZFHPZNHDMZOOS-ZIAGYGMSSA-N -1 3 371.428 2.584 20 30 FFEDHM [O-]c1cc(Br)ccc1C=NN1C(=S)N=NC1[C@H]1CCCO1 ZINC000853281158 750042860 /nfs/dbraw/zinc/04/28/60/750042860.db2.gz PBGJVYZLYYLCDG-LLVKDONJSA-N -1 3 369.244 2.769 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC#N ZINC000490668255 845920137 /nfs/dbraw/zinc/92/01/37/845920137.db2.gz BUHYSHQALUZONQ-UHFFFAOYSA-N -1 3 361.398 2.578 20 30 FFEDHM C=C(Br)CN1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001087889351 970909288 /nfs/dbraw/zinc/90/92/88/970909288.db2.gz VMWHERXXFZYSGH-KGLIPLIRSA-N -1 3 365.271 2.695 20 30 FFEDHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735942286 944726835 /nfs/dbraw/zinc/72/68/35/944726835.db2.gz HMCRJLWXWOXZCA-UHFFFAOYSA-N -1 3 370.804 2.501 20 30 FFEDHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735942286 944726839 /nfs/dbraw/zinc/72/68/39/944726839.db2.gz HMCRJLWXWOXZCA-UHFFFAOYSA-N -1 3 370.804 2.501 20 30 FFEDHM Cc1ccc(OC(F)F)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822259026 946033322 /nfs/dbraw/zinc/03/33/22/946033322.db2.gz KALUUFFKCXJMOT-UHFFFAOYSA-N -1 3 358.352 2.900 20 30 FFEDHM Cc1ccc(OC(F)F)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822259026 946033335 /nfs/dbraw/zinc/03/33/35/946033335.db2.gz KALUUFFKCXJMOT-UHFFFAOYSA-N -1 3 358.352 2.900 20 30 FFEDHM C=C(C)CN(C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823873273 946496042 /nfs/dbraw/zinc/49/60/42/946496042.db2.gz KLPALZLEQZHSIT-UHFFFAOYSA-N -1 3 372.820 2.746 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)cc1 ZINC001573283843 946728278 /nfs/dbraw/zinc/72/82/78/946728278.db2.gz WHCATPADHBMZFW-UHFFFAOYSA-N -1 3 365.368 2.969 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)cc1 ZINC001573283843 946728284 /nfs/dbraw/zinc/72/82/84/946728284.db2.gz WHCATPADHBMZFW-UHFFFAOYSA-N -1 3 365.368 2.969 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001573558755 946943114 /nfs/dbraw/zinc/94/31/14/946943114.db2.gz PDJVBQDTCJEKQR-LJQANCHMSA-N -1 3 364.384 2.651 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001573558755 946943115 /nfs/dbraw/zinc/94/31/15/946943115.db2.gz PDJVBQDTCJEKQR-LJQANCHMSA-N -1 3 364.384 2.651 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573293557 946960420 /nfs/dbraw/zinc/96/04/20/946960420.db2.gz AJKCGDXKWNFPLX-SHTZXODSSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573293557 946960428 /nfs/dbraw/zinc/96/04/28/946960428.db2.gz AJKCGDXKWNFPLX-SHTZXODSSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)CONC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001573293605 946963459 /nfs/dbraw/zinc/96/34/59/946963459.db2.gz CVVOUQHRRXKPJE-UHFFFAOYSA-N -1 3 365.393 2.683 20 30 FFEDHM C=C(C)CONC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001573293605 946963461 /nfs/dbraw/zinc/96/34/61/946963461.db2.gz CVVOUQHRRXKPJE-UHFFFAOYSA-N -1 3 365.393 2.683 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573298350 947075448 /nfs/dbraw/zinc/07/54/48/947075448.db2.gz CRDNLEBHJBJJJJ-INIZCTEOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573298350 947075458 /nfs/dbraw/zinc/07/54/58/947075458.db2.gz CRDNLEBHJBJJJJ-INIZCTEOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)C[C@H](CO)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001573300365 947111528 /nfs/dbraw/zinc/11/15/28/947111528.db2.gz OXUKYFJANLNLNM-CQSZACIVSA-N -1 3 363.421 2.591 20 30 FFEDHM C=C(C)C[C@H](CO)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001573300365 947111532 /nfs/dbraw/zinc/11/15/32/947111532.db2.gz OXUKYFJANLNLNM-CQSZACIVSA-N -1 3 363.421 2.591 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573314708 947236173 /nfs/dbraw/zinc/23/61/73/947236173.db2.gz FFTRWWHYIDUEPT-JQWIXIFHSA-N -1 3 363.491 2.541 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573315982 947262609 /nfs/dbraw/zinc/26/26/09/947262609.db2.gz RNFPXYXMTWYBQW-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573315982 947262627 /nfs/dbraw/zinc/26/26/27/947262627.db2.gz RNFPXYXMTWYBQW-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573327825 947396103 /nfs/dbraw/zinc/39/61/03/947396103.db2.gz LLVCABNXHZLOSZ-SHTZXODSSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573327825 947396115 /nfs/dbraw/zinc/39/61/15/947396115.db2.gz LLVCABNXHZLOSZ-SHTZXODSSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCOCCCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001573347660 947574008 /nfs/dbraw/zinc/57/40/08/947574008.db2.gz GFRSACFLTSEJCF-UHFFFAOYSA-N -1 3 367.457 2.797 20 30 FFEDHM C=CCOCCCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001573347660 947574017 /nfs/dbraw/zinc/57/40/17/947574017.db2.gz GFRSACFLTSEJCF-UHFFFAOYSA-N -1 3 367.457 2.797 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3cc(-c4nnn[n-]4)ccc3F)cc2n1 ZINC001573351881 947621777 /nfs/dbraw/zinc/62/17/77/947621777.db2.gz WWFLZNHOHJEJAH-UHFFFAOYSA-N -1 3 363.356 2.794 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3cc(-c4nn[n-]n4)ccc3F)cc2n1 ZINC001573351881 947621781 /nfs/dbraw/zinc/62/17/81/947621781.db2.gz WWFLZNHOHJEJAH-UHFFFAOYSA-N -1 3 363.356 2.794 20 30 FFEDHM C=CCC[C@@H](C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000890535953 959152996 /nfs/dbraw/zinc/15/29/96/959152996.db2.gz WWADJKBRKDRDSG-IAGOWNOFSA-N -1 3 352.438 2.627 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cccc(OCC(F)(F)F)n1 ZINC000124007816 1013192307 /nfs/dbraw/zinc/19/23/07/1013192307.db2.gz FXPWQAUHWWYGNY-GFCCVEGCSA-N -1 3 363.295 2.984 20 30 FFEDHM Cc1cc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)s1 ZINC000017224686 964187503 /nfs/dbraw/zinc/18/75/03/964187503.db2.gz ZTXPOCWJHQFBAW-UHFFFAOYSA-N -1 3 372.446 2.900 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176100952 965209692 /nfs/dbraw/zinc/20/96/92/965209692.db2.gz NWKHOKPPIWVQAD-OAHLLOKOSA-N -1 3 373.372 2.970 20 30 FFEDHM C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001087471937 965413161 /nfs/dbraw/zinc/41/31/61/965413161.db2.gz DPCJEICNUUUTMJ-ICSRJNTNSA-N -1 3 364.445 2.622 20 30 FFEDHM Cc1ccc(S(=O)(=O)N2CC=C(Nc3cc(C#N)ccc3[O-])CC2)cc1 ZINC001176650195 1013755713 /nfs/dbraw/zinc/75/57/13/1013755713.db2.gz JMTGGGWCJUYVAH-UHFFFAOYSA-N -1 3 369.446 2.963 20 30 FFEDHM N#Cc1ccc(F)c(CN2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)c1 ZINC001075564177 973928547 /nfs/dbraw/zinc/92/85/47/973928547.db2.gz GUMFNSCWEIVVLG-HNAYVOBHSA-N -1 3 365.408 2.749 20 30 FFEDHM C=CC[C@@H]1N(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1(C)C ZINC000898814679 976705528 /nfs/dbraw/zinc/70/55/28/976705528.db2.gz WTBARMINNLWCHY-GJZGRUSLSA-N -1 3 359.474 2.537 20 30 FFEDHM C#CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001087464109 978259951 /nfs/dbraw/zinc/25/99/51/978259951.db2.gz UEGIJBGONUMQEZ-QZTJIDSGSA-N -1 3 367.424 2.538 20 30 FFEDHM CC(=O)[C@H](C)CCCCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904184512 980204469 /nfs/dbraw/zinc/20/44/69/980204469.db2.gz RYDLJNWWIPGAEQ-CQSZACIVSA-N -1 3 374.437 2.676 20 30 FFEDHM Cc1nc(C#N)c(N2CCC(C(=O)N([O-])Cc3ccc(F)cc3)CC2)o1 ZINC000904172683 980207090 /nfs/dbraw/zinc/20/70/90/980207090.db2.gz AMVWBAVDHHCSOS-UHFFFAOYSA-N -1 3 358.373 2.628 20 30 FFEDHM O=C(C1CCN(c2cnccn2)CC1)N([O-])CCCCc1ccccc1 ZINC000904201165 980214244 /nfs/dbraw/zinc/21/42/44/980214244.db2.gz LCJMOSXQGOYOSL-UHFFFAOYSA-N -1 3 354.454 2.934 20 30 FFEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3ccoc3C)nc(=O)c2c1C ZINC000053844634 981312762 /nfs/dbraw/zinc/31/27/62/981312762.db2.gz BSDSPNPPSTZUSE-UHFFFAOYSA-N -1 3 372.402 2.963 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908885289 981564404 /nfs/dbraw/zinc/56/44/04/981564404.db2.gz WANWMYYPVSMVJZ-SZMVWBNQSA-N -1 3 359.470 2.931 20 30 FFEDHM C=CCCC[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908999501 981591267 /nfs/dbraw/zinc/59/12/67/981591267.db2.gz ZIJJJACTEQIULO-ROUUACIJSA-N -1 3 359.470 2.760 20 30 FFEDHM CCc1noc2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3OC)cc12 ZINC000171266326 985253863 /nfs/dbraw/zinc/25/38/63/985253863.db2.gz VKNLDDQKVCPTRN-CYBMUJFWSA-N -1 3 364.361 2.755 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000173789622 985995665 /nfs/dbraw/zinc/99/56/65/985995665.db2.gz OCNXPWQKPHJYMD-UHFFFAOYSA-N -1 3 370.380 2.610 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)nc1 ZINC000916933919 990035525 /nfs/dbraw/zinc/03/55/25/990035525.db2.gz KJRXOALCAPOADP-CQSZACIVSA-N -1 3 353.378 2.839 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc(C)c1 ZINC000917424300 990218481 /nfs/dbraw/zinc/21/84/81/990218481.db2.gz KKZYKVZHKXWAKZ-KRWDZBQOSA-N -1 3 359.389 2.845 20 30 FFEDHM CCOC(=O)C[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(OC)c1 ZINC000917556853 990243263 /nfs/dbraw/zinc/24/32/63/990243263.db2.gz PJDBWBDFTHBNIA-DSDJNCIMSA-N -1 3 372.421 2.710 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000154539771 990282972 /nfs/dbraw/zinc/28/29/72/990282972.db2.gz TVSFCUUHUBIVIP-OAHLLOKOSA-N -1 3 371.462 2.893 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cccc(OCC(F)F)n2)c1 ZINC000127831683 1015580363 /nfs/dbraw/zinc/58/03/63/1015580363.db2.gz GEPSEQQLPYPYKX-CYBMUJFWSA-N -1 3 359.332 2.995 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1[O-] ZINC000809144068 994404352 /nfs/dbraw/zinc/40/43/52/994404352.db2.gz CDHWKSAZXSFGPT-OCKHKDLRSA-N -1 3 354.366 2.639 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000811187094 995051566 /nfs/dbraw/zinc/05/15/66/995051566.db2.gz JLMJVWYENAMZEM-ZIAGYGMSSA-N -1 3 352.390 2.729 20 30 FFEDHM CC(C)[C@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811187635 995053244 /nfs/dbraw/zinc/05/32/44/995053244.db2.gz KKAQGMJNOJCTIU-IBGZPJMESA-N -1 3 352.390 2.934 20 30 FFEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccccc1F ZINC000811187808 995053660 /nfs/dbraw/zinc/05/36/60/995053660.db2.gz YNNYQWJMBMJTMQ-GOSISDBHSA-N -1 3 370.380 2.901 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C ZINC000727491765 995836401 /nfs/dbraw/zinc/83/64/01/995836401.db2.gz NJPJSJWCBUCJEA-KRWDZBQOSA-N -1 3 369.469 2.636 20 30 FFEDHM CCc1noc(-c2ccc(CC/N=C\c3c([O-])c(C)ncc3CO)cc2)n1 ZINC000727685672 995918431 /nfs/dbraw/zinc/91/84/31/995918431.db2.gz WNPDUSWZBJMPDV-NHDPSOOVSA-N -1 3 366.421 2.862 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccnc3ccccc23)cc1 ZINC000731313849 997807436 /nfs/dbraw/zinc/80/74/36/997807436.db2.gz NUFDDMFRLJVYGF-UHFFFAOYSA-N -1 3 370.390 2.597 20 30 FFEDHM CC(C)n1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cn1 ZINC000732711451 998743680 /nfs/dbraw/zinc/74/36/80/998743680.db2.gz NHCNOWIKUARZTJ-OAHLLOKOSA-N -1 3 370.438 2.739 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000733081249 998866401 /nfs/dbraw/zinc/86/64/01/998866401.db2.gz SETSDUSHHJIVKT-LKKXKRCMSA-N -1 3 363.458 2.796 20 30 FFEDHM C#C[C@@H]1CCCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000847031021 1000525399 /nfs/dbraw/zinc/52/53/99/1000525399.db2.gz PRQMKWMOZBAZFS-CHWSQXEVSA-N -1 3 373.478 2.876 20 30 FFEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000769819412 1000598135 /nfs/dbraw/zinc/59/81/35/1000598135.db2.gz QRVQKNJLXATZFK-UHFFFAOYSA-N -1 3 366.303 2.804 20 30 FFEDHM C[C@@H]1CC(=NNc2nc(=O)c3cnn(C)c3[n-]2)CCN1Cc1ccccc1 ZINC000769817179 1000611426 /nfs/dbraw/zinc/61/14/26/1000611426.db2.gz KPLAGYJNEHAFJN-CYBMUJFWSA-N -1 3 365.441 2.521 20 30 FFEDHM CC(=NNCc1ccc(C#N)cc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000769814936 1000611460 /nfs/dbraw/zinc/61/14/60/1000611460.db2.gz LBCXOOOKJGCZJM-UHFFFAOYSA-N -1 3 364.449 2.610 20 30 FFEDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000770086477 1000672061 /nfs/dbraw/zinc/67/20/61/1000672061.db2.gz GBRKIORRWWSUGK-INIZCTEOSA-N -1 3 373.434 2.539 20 30 FFEDHM C#CCCN1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000746885515 1002296901 /nfs/dbraw/zinc/29/69/01/1002296901.db2.gz ZUKXQMYZWNBYTE-UHFFFAOYSA-N -1 3 350.418 2.966 20 30 FFEDHM CCCCCCN([O-])C(=O)CCNS(=O)(=O)c1ccccc1Cl ZINC001184305230 1002552469 /nfs/dbraw/zinc/55/24/69/1002552469.db2.gz AKUFMYILZGDSMD-UHFFFAOYSA-N -1 3 362.879 2.807 20 30 FFEDHM O=C(Cc1ccccc1)NCCC(=O)N([O-])CCCCc1ccccc1 ZINC001184293217 1002564269 /nfs/dbraw/zinc/56/42/69/1002564269.db2.gz KFKRKSVHTVXCCD-UHFFFAOYSA-N -1 3 354.450 2.976 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccncc1Cl ZINC000791627289 1002767037 /nfs/dbraw/zinc/76/70/37/1002767037.db2.gz PCIWBZCIBDCGHU-UHFFFAOYSA-N -1 3 373.796 2.683 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnc(C3CC3)o2)c(C)c1[O-] ZINC001185215474 1002864424 /nfs/dbraw/zinc/86/44/24/1002864424.db2.gz PWSFVKRJBPQHOD-UHFFFAOYSA-N -1 3 355.350 2.867 20 30 FFEDHM N#Cc1cc(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)cs1 ZINC001186666952 1003375754 /nfs/dbraw/zinc/37/57/54/1003375754.db2.gz UZNMAIVBTFHLMQ-UHFFFAOYSA-N -1 3 359.432 2.894 20 30 FFEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2cncc(C(=O)OC)n2)c(F)c1F ZINC001186714288 1003397255 /nfs/dbraw/zinc/39/72/55/1003397255.db2.gz ZIWGOJDJUGZLIJ-UHFFFAOYSA-N -1 3 369.274 2.800 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2-c2nnn[n-]2)ccc1N1CCCCC1 ZINC001187009024 1003512991 /nfs/dbraw/zinc/51/29/91/1003512991.db2.gz MTKQLOPLMUJGJA-UHFFFAOYSA-N -1 3 373.420 2.981 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2-c2nn[n-]n2)ccc1N1CCCCC1 ZINC001187009024 1003512996 /nfs/dbraw/zinc/51/29/96/1003512996.db2.gz MTKQLOPLMUJGJA-UHFFFAOYSA-N -1 3 373.420 2.981 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC ZINC001187085718 1003562449 /nfs/dbraw/zinc/56/24/49/1003562449.db2.gz RGAWCORSGAHWOQ-CQSZACIVSA-N -1 3 366.266 2.921 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ncco2)c(F)c1 ZINC001191828239 1003972354 /nfs/dbraw/zinc/97/23/54/1003972354.db2.gz JOZNVQOMOYTTIY-INIZCTEOSA-N -1 3 371.393 2.948 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2cc(F)c(C#N)c(F)c2)cc1F ZINC001191942915 1004005603 /nfs/dbraw/zinc/00/56/03/1004005603.db2.gz FXRBPXZZIJMJQM-UHFFFAOYSA-N -1 3 374.315 2.602 20 30 FFEDHM N#Cc1cnc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)s1 ZINC001197549949 1004268355 /nfs/dbraw/zinc/26/83/55/1004268355.db2.gz DLTQGGKFRGKAHB-UHFFFAOYSA-N -1 3 362.263 2.941 20 30 FFEDHM N#Cc1cnc(C[N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)s1 ZINC001197772897 1004357659 /nfs/dbraw/zinc/35/76/59/1004357659.db2.gz MEORCEGBYCHKFM-UHFFFAOYSA-N -1 3 362.263 2.941 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)OC ZINC001193580251 1004517249 /nfs/dbraw/zinc/51/72/49/1004517249.db2.gz CITHEYRMDRZHFG-SNVBAGLBSA-N -1 3 374.871 2.736 20 30 FFEDHM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1c(C)cc(O)cc1[O-])CCO2 ZINC001193920847 1004615793 /nfs/dbraw/zinc/61/57/93/1004615793.db2.gz KBNQSVXCOJSMJF-FOIQADDNSA-N -1 3 361.438 2.620 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2n[nH]c3c2CC[C@@H]3C)c(C)c1[O-] ZINC001198452243 1004621828 /nfs/dbraw/zinc/62/18/28/1004621828.db2.gz ACSZKUJGTOPAAB-VIFPVBQESA-N -1 3 368.393 2.774 20 30 FFEDHM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201898150 1005281261 /nfs/dbraw/zinc/28/12/61/1005281261.db2.gz KXNWHOQOLFRFQN-SFHVURJKSA-N -1 3 359.451 2.877 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2cnc(N3CCCCC3)s2)c1 ZINC000776273605 1005340540 /nfs/dbraw/zinc/34/05/40/1005340540.db2.gz JIXJMBIEPZAVNC-UHFFFAOYSA-N -1 3 371.418 2.750 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)c(=O)[n-]1 ZINC001273942080 1005345977 /nfs/dbraw/zinc/34/59/77/1005345977.db2.gz BKGQOCCXSJELGA-SFHVURJKSA-N -1 3 363.845 2.614 20 30 FFEDHM Cc1ccccc1[C@@H](CO)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000923731340 1017023746 /nfs/dbraw/zinc/02/37/46/1017023746.db2.gz KZKCFWRPVMFQHM-LJQANCHMSA-N -1 3 367.449 2.709 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000853328377 1006367462 /nfs/dbraw/zinc/36/74/62/1006367462.db2.gz GDKFTIXBYPVKFP-GFCCVEGCSA-N -1 3 358.354 2.997 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-][C@@H](Cc1ccc(C)cn1)C(=O)OC ZINC001188027883 1006385799 /nfs/dbraw/zinc/38/57/99/1006385799.db2.gz YWQQMIIUIRINRA-KRWDZBQOSA-N -1 3 370.515 2.754 20 30 FFEDHM Cc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1O ZINC000814742041 1006421161 /nfs/dbraw/zinc/42/11/61/1006421161.db2.gz WVXHPMNLORDJRV-OAHLLOKOSA-N -1 3 368.418 2.976 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc2ccccc2nc1Cl ZINC001152411622 1032161193 /nfs/dbraw/zinc/16/11/93/1032161193.db2.gz BLNREDDSLOQFMQ-UHFFFAOYSA-N -1 3 355.741 2.823 20 30 FFEDHM Cc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1[N+](=O)[O-] ZINC000131874027 1006799325 /nfs/dbraw/zinc/79/93/25/1006799325.db2.gz MXACJKJFZWNITD-UHFFFAOYSA-N -1 3 355.350 2.618 20 30 FFEDHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1-c1cccc(C(C)C)c1 ZINC000816697218 1007169087 /nfs/dbraw/zinc/16/90/87/1007169087.db2.gz USAHAXWCQHHAJW-SFHVURJKSA-N -1 3 355.438 2.937 20 30 FFEDHM O=C(/C=C/[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001189993929 1007415526 /nfs/dbraw/zinc/41/55/26/1007415526.db2.gz WRDLCRPWHZHZQR-OWOJBTEDSA-N -1 3 365.226 2.768 20 30 FFEDHM CCCc1nnsc1C(=O)Nc1c(C)c([O-])c(C(=O)OCC)cc1C#N ZINC001190166234 1007500153 /nfs/dbraw/zinc/50/01/53/1007500153.db2.gz NIKDZKRLMIXOJK-UHFFFAOYSA-N -1 3 374.422 2.805 20 30 FFEDHM C=CCOc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190208826 1007525762 /nfs/dbraw/zinc/52/57/62/1007525762.db2.gz ONSVRTBPIGGPEA-LLVKDONJSA-N -1 3 354.378 2.964 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)c1ccccc1 ZINC001190536047 1007684575 /nfs/dbraw/zinc/68/45/75/1007684575.db2.gz VAMQGPXIJMZYDN-CQSZACIVSA-N -1 3 364.810 2.670 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)cnc2Br)c1 ZINC001190615816 1007702994 /nfs/dbraw/zinc/70/29/94/1007702994.db2.gz CJEKNRLJMTZRSE-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c1 ZINC001190660772 1007721214 /nfs/dbraw/zinc/72/12/14/1007721214.db2.gz BBNOMIBAJGLMDU-AWEZNQCLSA-N -1 3 350.346 2.639 20 30 FFEDHM COc1ccccc1CC1([N-]S(=O)(=O)c2cc(C#N)ccc2F)CC1 ZINC001190676929 1007744393 /nfs/dbraw/zinc/74/43/93/1007744393.db2.gz LITSVDXQOIWJLY-UHFFFAOYSA-N -1 3 360.410 2.760 20 30 FFEDHM COc1cnccc1[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C1CC1 ZINC001190681609 1007747355 /nfs/dbraw/zinc/74/73/55/1007747355.db2.gz KYKLLDQKAYCHSC-KRWDZBQOSA-N -1 3 361.398 2.531 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-]c2ncc(Br)nc2Cl)CC1 ZINC001190772714 1007777661 /nfs/dbraw/zinc/77/76/61/1007777661.db2.gz JJGYPOHXFIOBSF-UHFFFAOYSA-N -1 3 352.641 2.743 20 30 FFEDHM COc1ccccc1/C=C(/C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000820471016 1008338552 /nfs/dbraw/zinc/33/85/52/1008338552.db2.gz KZKWWDPPVRHZEG-UWXVCKHVSA-N -1 3 366.417 2.732 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000820476173 1008339277 /nfs/dbraw/zinc/33/92/77/1008339277.db2.gz JDGZDWMFJJAFCY-GOSISDBHSA-N -1 3 363.417 2.800 20 30 FFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000820482003 1008339861 /nfs/dbraw/zinc/33/98/61/1008339861.db2.gz CAQAQRKMWWMNOK-RDTXWAMCSA-N -1 3 355.438 2.824 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2ccc(O)cc2F)c(C)c1[O-] ZINC001180649800 1009785254 /nfs/dbraw/zinc/78/52/54/1009785254.db2.gz GHDOCNGBPZMFFJ-UHFFFAOYSA-N -1 3 372.352 2.775 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCN2C ZINC000773349698 1011868326 /nfs/dbraw/zinc/86/83/26/1011868326.db2.gz IETCCGABHNMTTI-UHFFFAOYSA-N -1 3 366.421 2.676 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110933813 1018708029 /nfs/dbraw/zinc/70/80/29/1018708029.db2.gz RQLWTECHJAQYCJ-PILAGYSTSA-N -1 3 370.497 2.883 20 30 FFEDHM Cc1ccc(C#N)c(N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@@H]3C2)n1 ZINC001049221006 1020800487 /nfs/dbraw/zinc/80/04/87/1020800487.db2.gz LHSVQPWGKKSUDD-SJORKVTESA-N -1 3 362.433 2.566 20 30 FFEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CNC[C@H]2C#N)c1 ZINC001218199451 1033045897 /nfs/dbraw/zinc/04/58/97/1033045897.db2.gz AIPYSVXGPQPUJX-ZTOYUPBFSA-N -1 3 364.401 2.787 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(C#N)c1 ZINC000751643936 1022886588 /nfs/dbraw/zinc/88/65/88/1022886588.db2.gz FBNLISJGTHLMBS-INIZCTEOSA-N -1 3 351.318 2.612 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(C#N)c1 ZINC000751643936 1022886607 /nfs/dbraw/zinc/88/66/07/1022886607.db2.gz FBNLISJGTHLMBS-INIZCTEOSA-N -1 3 351.318 2.612 20 30 FFEDHM C=CC[C@H]1N(c2nnc(-c3c[n-]oc3=O)n2CCOC)CCCC1(C)C ZINC001122235044 1023133288 /nfs/dbraw/zinc/13/32/88/1023133288.db2.gz XOTYJYAUKTVQMM-CQSZACIVSA-N -1 3 361.446 2.856 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCCC[C@H](SC)C1 ZINC001122479463 1023295644 /nfs/dbraw/zinc/29/56/44/1023295644.db2.gz UCLXAGOFWMMNNP-ZDUSSCGKSA-N -1 3 360.487 2.739 20 30 FFEDHM C=C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1)c1ccccc1 ZINC000949603463 1023583917 /nfs/dbraw/zinc/58/39/17/1023583917.db2.gz NQDUCIZJRVARBD-SZVBFZGTSA-N -1 3 364.445 2.939 20 30 FFEDHM CN(c1nnc(-c2sc3ncccc3c2[O-])n1C)[C@@H]1CCC[C@H]1C#N ZINC001121557141 1023847978 /nfs/dbraw/zinc/84/79/78/1023847978.db2.gz MJCZSEOXANCCEO-CMPLNLGQSA-N -1 3 354.439 2.926 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC001159642532 1027453228 /nfs/dbraw/zinc/45/32/28/1027453228.db2.gz YFFBWIBREXFVOP-GOFCXVBSSA-N -1 3 360.410 2.924 20 30 FFEDHM O=C(NC1=CC(=O)CCC1)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153877301 1028040288 /nfs/dbraw/zinc/04/02/88/1028040288.db2.gz DHTVTBKBHGDTIY-UHFFFAOYSA-N -1 3 361.195 2.657 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154310708 1028233478 /nfs/dbraw/zinc/23/34/78/1028233478.db2.gz RJNFDIOWRPZOJD-UHFFFAOYSA-N -1 3 351.366 2.721 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc2c(c1)c(=O)[n-][nH]c2=O ZINC001154310708 1028233492 /nfs/dbraw/zinc/23/34/92/1028233492.db2.gz RJNFDIOWRPZOJD-UHFFFAOYSA-N -1 3 351.366 2.721 20 30 FFEDHM COc1ccc2ncc([O-])c(C(=O)N(CCC#N)Cc3cccnc3)c2c1 ZINC001154513235 1028328427 /nfs/dbraw/zinc/32/84/27/1028328427.db2.gz MKOYOYQSZHXSQG-UHFFFAOYSA-N -1 3 362.389 2.900 20 30 FFEDHM [O-]/N=C/c1cccc(NC[C@H]2OCCc3cn(Cc4ccccn4)nc32)c1 ZINC001163543660 1028965872 /nfs/dbraw/zinc/96/58/72/1028965872.db2.gz RFLBGMYWJDSACO-XLHYMUBZSA-N -1 3 363.421 2.860 20 30 FFEDHM CCNC(=O)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001155914426 1028973421 /nfs/dbraw/zinc/97/34/21/1028973421.db2.gz PJLPURGETMWVAV-UHFFFAOYSA-N -1 3 368.315 2.978 20 30 FFEDHM CON=Cc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000781830992 1029431827 /nfs/dbraw/zinc/43/18/27/1029431827.db2.gz UVHADCXPACNUCX-UHFFFAOYSA-N -1 3 353.334 2.780 20 30 FFEDHM CCCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000798816287 1031555014 /nfs/dbraw/zinc/55/50/14/1031555014.db2.gz JVZMKUROBQIHRA-AWEZNQCLSA-N -1 3 354.362 2.964 20 30 FFEDHM N#C[C@@H]1C[C@H](F)CN1C(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150470979 1031719329 /nfs/dbraw/zinc/71/93/29/1031719329.db2.gz OKHBGWCCZWICHE-UWVGGRQHSA-N -1 3 353.275 2.623 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1 ZINC001218965297 1033431419 /nfs/dbraw/zinc/43/14/19/1033431419.db2.gz JSIPKOBOMWFPGS-FQEVSTJZSA-N -1 3 374.444 2.971 20 30 FFEDHM CC[C@@H](C#CC(=O)OC)Oc1cc(C)cc([O-])c1I ZINC001225511510 1034285435 /nfs/dbraw/zinc/28/54/35/1034285435.db2.gz TUVKCEZGWZPNCL-JTQLQIEISA-N -1 3 374.174 2.639 20 30 FFEDHM Cc1cc(=O)c(C#N)c(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)[n-]1 ZINC001225470652 1034267658 /nfs/dbraw/zinc/26/76/58/1034267658.db2.gz XXYAYKPCZXLGTJ-UHFFFAOYSA-N -1 3 354.366 2.923 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665669 1034358556 /nfs/dbraw/zinc/35/85/56/1034358556.db2.gz CXERJTOEGUJJIN-LBPRGKRZSA-N -1 3 351.359 2.640 20 30 FFEDHM CC(C)(C)OC(=O)N1CCCO[C@@H](COc2cccc(/C=N/[O-])c2)C1 ZINC001226114042 1034531575 /nfs/dbraw/zinc/53/15/75/1034531575.db2.gz DDNFJBAZGSAZNM-YDDPGSGASA-N -1 3 350.415 2.900 20 30 FFEDHM N#Cc1ccc(Cl)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC001140603920 1035710490 /nfs/dbraw/zinc/71/04/90/1035710490.db2.gz JKHNKHVCGOPHFS-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM COCCOc1ccc(N2CCN(Cc3cc(C#N)ccc3[O-])CC2)cc1 ZINC001232677960 1035937048 /nfs/dbraw/zinc/93/70/48/1035937048.db2.gz MRFGLLOUUFGKQH-UHFFFAOYSA-N -1 3 367.449 2.611 20 30 FFEDHM CN1CCO[C@H](COc2ccccc2N=CC=Nc2ccccc2[O-])C1=O ZINC001228127423 1035948446 /nfs/dbraw/zinc/94/84/46/1035948446.db2.gz RKSFROBOMRTCBC-LJQANCHMSA-N -1 3 367.405 2.733 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC001233802528 1036769190 /nfs/dbraw/zinc/76/91/90/1036769190.db2.gz HGYXSIYSSNLXGC-HYLGSWLWSA-N -1 3 373.384 2.721 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN2Cc2cc(Cl)c(Cl)cc2[O-])C1=O ZINC001277829906 1036908119 /nfs/dbraw/zinc/90/81/19/1036908119.db2.gz KMJOEIVASFRTAT-KRWDZBQOSA-N -1 3 353.249 2.899 20 30 FFEDHM C=C[C@@H](Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C)C(=O)OC ZINC001234175019 1036956199 /nfs/dbraw/zinc/95/61/99/1036956199.db2.gz DAWRNPNSBDNVFX-CQSZACIVSA-N -1 3 369.373 2.512 20 30 FFEDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccccc3C#N)C2)n1 ZINC001231262799 1037517216 /nfs/dbraw/zinc/51/72/16/1037517216.db2.gz HDWMVSMXYQPZTB-HNNXBMFYSA-N -1 3 354.366 2.529 20 30 FFEDHM C=CCOC[C@@H]1CN(Cc2ccc(F)c([O-])c2)Cc2nnn(CC3CC3)c21 ZINC001236703556 1038206354 /nfs/dbraw/zinc/20/63/54/1038206354.db2.gz XDFDMCWUDZIDGG-INIZCTEOSA-N -1 3 372.444 2.835 20 30 FFEDHM Cn1cc(CN2CC3(C2)CN(Cc2cccc([O-])c2Cl)C3)cc1C#N ZINC001278910798 1038383009 /nfs/dbraw/zinc/38/30/09/1038383009.db2.gz OLWNWSUMWCUFPS-UHFFFAOYSA-N -1 3 356.857 2.574 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(O)cc2)C(F)(F)F)cc1 ZINC001258163535 1039241494 /nfs/dbraw/zinc/24/14/94/1039241494.db2.gz ONDOFGWBXAGFED-AWEZNQCLSA-N -1 3 356.325 2.846 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cnc2Br)ccc1F ZINC001259412364 1039984043 /nfs/dbraw/zinc/98/40/43/1039984043.db2.gz DTQJHANAWBEXAE-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)cc1 ZINC001260045978 1040376660 /nfs/dbraw/zinc/37/66/60/1040376660.db2.gz XBEVRPXTIATXON-UHFFFAOYSA-N -1 3 351.309 2.789 20 30 FFEDHM CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC(C#N)CC1 ZINC001263010052 1042030176 /nfs/dbraw/zinc/03/01/76/1042030176.db2.gz NLDCWEFSIMMJFC-UHFFFAOYSA-N -1 3 363.425 2.596 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(C)(COC)CC1 ZINC001263288284 1042222522 /nfs/dbraw/zinc/22/25/22/1042222522.db2.gz MXOFSYPVTNALHK-UHFFFAOYSA-N -1 3 365.869 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(C)(COC)CC1 ZINC001263288284 1042222528 /nfs/dbraw/zinc/22/25/28/1042222528.db2.gz MXOFSYPVTNALHK-UHFFFAOYSA-N -1 3 365.869 2.546 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@H]1CCCNCc1n[nH]c(=O)[n-]1 ZINC001264018064 1042584380 /nfs/dbraw/zinc/58/43/80/1042584380.db2.gz VPYHMDDWUGKXAH-HUUCEWRRSA-N -1 3 363.506 2.610 20 30 FFEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1OC ZINC001319338006 1045115223 /nfs/dbraw/zinc/11/52/23/1045115223.db2.gz JHTRHVFMQXKEKR-UHFFFAOYSA-N -1 3 350.371 2.710 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H](c1nc[nH]n1)c1ccccc1 ZINC001295936261 1050002378 /nfs/dbraw/zinc/00/23/78/1050002378.db2.gz KUIIYHJBQVGHJG-HNNXBMFYSA-N -1 3 353.332 2.674 20 30 FFEDHM C=CCONC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001297991329 1050338009 /nfs/dbraw/zinc/33/80/09/1050338009.db2.gz OYELKZMNGLMLMR-UHFFFAOYSA-N -1 3 357.591 2.791 20 30 FFEDHM C=CCO[N-]C(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O ZINC001297991329 1050338003 /nfs/dbraw/zinc/33/80/03/1050338003.db2.gz OYELKZMNGLMLMR-UHFFFAOYSA-N -1 3 357.591 2.791 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001341952004 1050547505 /nfs/dbraw/zinc/54/75/05/1050547505.db2.gz SQKHUIOMTUNFRI-TXEJJXNPSA-N -1 3 369.450 2.529 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC[C@H](SC)C1 ZINC001340594587 1050979190 /nfs/dbraw/zinc/97/91/90/1050979190.db2.gz QRPQCAFRCCMABC-JTQLQIEISA-N -1 3 353.883 2.625 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC[C@H](SC)C1 ZINC001340594587 1050979200 /nfs/dbraw/zinc/97/92/00/1050979200.db2.gz QRPQCAFRCCMABC-JTQLQIEISA-N -1 3 353.883 2.625 20 30 FFEDHM C=CCN(CCc1ccco1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC=C ZINC001342385914 1050981090 /nfs/dbraw/zinc/98/10/90/1050981090.db2.gz RMSXJGYRPCISTN-UHFFFAOYSA-N -1 3 366.425 2.763 20 30 FFEDHM C#CC1CCN(c2nnc(-c3c[n-]oc3=O)n2CCc2ccccc2)CC1 ZINC001340967096 1051300292 /nfs/dbraw/zinc/30/02/92/1051300292.db2.gz GGOSLQXTWTXHGO-UHFFFAOYSA-N -1 3 363.421 2.731 20 30 FFEDHM O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)N([O-])CCCCc1ccccc1 ZINC001306896400 1052214915 /nfs/dbraw/zinc/21/49/15/1052214915.db2.gz VUNCQDNXUUUFRH-ZWKOTPCHSA-N -1 3 363.454 2.928 20 30 FFEDHM O=C(c1cccc(S(=O)(=O)C(F)F)c1)N([O-])Cc1ccc(F)cc1 ZINC001306899317 1052216672 /nfs/dbraw/zinc/21/66/72/1052216672.db2.gz ZQAIOXJFFVNLFF-UHFFFAOYSA-N -1 3 359.325 2.854 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(Cc1cnn(C)c1)CC(C)C ZINC001343734361 1052394542 /nfs/dbraw/zinc/39/45/42/1052394542.db2.gz TZLKMWZDDSXROX-UHFFFAOYSA-N -1 3 371.445 2.611 20 30 FFEDHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)Cc2csc(C#N)c2)no1 ZINC001309419197 1052616251 /nfs/dbraw/zinc/61/62/51/1052616251.db2.gz YLFXILVSCRDUDQ-UHFFFAOYSA-N -1 3 374.447 2.598 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2nnc(Cl)[n-]2)n1C[C@@H]1CCCCO1 ZINC001344254270 1052659956 /nfs/dbraw/zinc/65/99/56/1052659956.db2.gz OITCJUWOERABQK-LBPRGKRZSA-N -1 3 365.869 2.688 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2n[n-]c(Cl)n2)n1C[C@@H]1CCCCO1 ZINC001344254270 1052659960 /nfs/dbraw/zinc/65/99/60/1052659960.db2.gz OITCJUWOERABQK-LBPRGKRZSA-N -1 3 365.869 2.688 20 30 FFEDHM N#CC[C@H]([N-]C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC001337613733 1054890405 /nfs/dbraw/zinc/89/04/05/1054890405.db2.gz BAJGKPMVQQEFNH-VIFPVBQESA-N -1 3 371.212 2.744 20 30 FFEDHM C=CCC[C@@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001350441159 1055775370 /nfs/dbraw/zinc/77/53/70/1055775370.db2.gz RJAMYIVGNRJBKG-QZTJIDSGSA-N -1 3 366.465 2.936 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC2(C#N)CCCC2)c(Cl)c1 ZINC001358358420 1056272375 /nfs/dbraw/zinc/27/23/75/1056272375.db2.gz BDAANWORLGMOOP-UHFFFAOYSA-N -1 3 356.831 2.952 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CC2(NC(=O)OC(C)(C)C)CCCC2)c1[O-] ZINC000849171701 1056789187 /nfs/dbraw/zinc/78/91/87/1056789187.db2.gz DURRBBHVQTXLQK-KEBDBYFISA-N -1 3 363.458 2.844 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)OC)n2C[C@@H]2CCCO2)c1[O-] ZINC001518118946 1058273811 /nfs/dbraw/zinc/27/38/11/1058273811.db2.gz SQILDNIWNWPEFE-HNNXBMFYSA-N -1 3 358.442 2.946 20 30 FFEDHM C#C[C@@H](NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C(C)C ZINC001448624171 1058799980 /nfs/dbraw/zinc/79/99/80/1058799980.db2.gz WVUSLNKWZKUQTQ-GFCCVEGCSA-N -1 3 352.312 2.814 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2nnc(Cl)[n-]2)n1C[C@@H]1CCOC1 ZINC001519771235 1059049534 /nfs/dbraw/zinc/04/95/34/1059049534.db2.gz DTBOGCHSALOEQW-LBPRGKRZSA-N -1 3 365.869 2.546 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2n[n-]c(Cl)n2)n1C[C@@H]1CCOC1 ZINC001519771235 1059049555 /nfs/dbraw/zinc/04/95/55/1059049555.db2.gz DTBOGCHSALOEQW-LBPRGKRZSA-N -1 3 365.869 2.546 20 30 FFEDHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848138185 1059113130 /nfs/dbraw/zinc/11/31/30/1059113130.db2.gz KEOUFHMCBFULIO-CRAIPNDOSA-N -1 3 368.433 2.541 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)nc1 ZINC001515113928 1059343257 /nfs/dbraw/zinc/34/32/57/1059343257.db2.gz KTNXNVJAGVCHRA-HNNXBMFYSA-N -1 3 365.389 2.840 20 30 FFEDHM CC[C@H](CC(F)(F)F)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458000244 1060488812 /nfs/dbraw/zinc/48/88/12/1060488812.db2.gz AVPRUGBQCRWWAL-LLVKDONJSA-N -1 3 372.343 2.869 20 30 FFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)[C@H]1CCCO1 ZINC001517658041 1060583398 /nfs/dbraw/zinc/58/33/98/1060583398.db2.gz UBPDOAGIMXIMET-CHWSQXEVSA-N -1 3 358.182 2.838 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001475402541 1061076544 /nfs/dbraw/zinc/07/65/44/1061076544.db2.gz CFCYKROQMHQHGI-OAHLLOKOSA-N -1 3 357.391 2.822 20 30 FFEDHM C#CC1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC1 ZINC001475618132 1061167212 /nfs/dbraw/zinc/16/72/12/1061167212.db2.gz ORNLHKAVZSLGQZ-UHFFFAOYSA-N -1 3 351.321 2.949 20 30 FFEDHM Cn1nc(C2CC2)cc1C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001475719015 1061231298 /nfs/dbraw/zinc/23/12/98/1061231298.db2.gz RRCFPEBCQUYPHQ-UHFFFAOYSA-N -1 3 372.475 2.862 20 30 FFEDHM CCc1cccc(Oc2ccc(NC(=O)N[C@H]3CCCN([O-])C3=O)cn2)c1 ZINC001475977319 1061325208 /nfs/dbraw/zinc/32/52/08/1061325208.db2.gz GKXUSQPKNYZFJU-INIZCTEOSA-N -1 3 370.409 2.938 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C)C(C)(C)C2(C)C)ccc1F ZINC001463237788 1062009449 /nfs/dbraw/zinc/00/94/49/1062009449.db2.gz NXRIRDDCHZMQQV-UHFFFAOYSA-N -1 3 368.474 2.845 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1Br ZINC001464063717 1062406589 /nfs/dbraw/zinc/40/65/89/1062406589.db2.gz RETUJAGSTBNQHN-QWRGUYRKSA-N -1 3 362.293 2.596 20 30 FFEDHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC001464161526 1062457327 /nfs/dbraw/zinc/45/73/27/1062457327.db2.gz SCHGDCMPTGDYPF-MEDUHNTESA-N -1 3 350.827 2.612 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001465783184 1063213157 /nfs/dbraw/zinc/21/31/57/1063213157.db2.gz WGEPGQTYJHLPHV-MRVPVSSYSA-N -1 3 371.294 2.857 20 30 FFEDHM N#Cc1cccnc1N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001440762794 1063352805 /nfs/dbraw/zinc/35/28/05/1063352805.db2.gz PLECGVZOKLVERK-UHFFFAOYSA-N -1 3 364.430 2.836 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc([N-]C(=O)c2nnc(-c3ccco3)o2)n1 ZINC001466796264 1063560817 /nfs/dbraw/zinc/56/08/17/1063560817.db2.gz LOTZBCHDXAIEIO-UHFFFAOYSA-N -1 3 364.296 2.778 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNc2ncc(-c3nnn[n-]3)cc2F)c1 ZINC001576484699 1078234452 /nfs/dbraw/zinc/23/44/52/1078234452.db2.gz QDGTXALPVZDXKZ-CYBMUJFWSA-N -1 3 353.361 2.694 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNc2ncc(-c3nn[n-]n3)cc2F)c1 ZINC001576484699 1078234454 /nfs/dbraw/zinc/23/44/54/1078234454.db2.gz QDGTXALPVZDXKZ-CYBMUJFWSA-N -1 3 353.361 2.694 20 30 FFEDHM CN(c1cc(Br)c(-c2nnn[n-]2)cc1F)[C@@H]1CCC[C@H]1C#N ZINC001579266072 1078606132 /nfs/dbraw/zinc/60/61/32/1078606132.db2.gz COQZFMLPBUXUSA-QPUJVOFHSA-N -1 3 365.210 2.897 20 30 FFEDHM CN(c1cc(Br)c(-c2nn[n-]n2)cc1F)[C@@H]1CCC[C@H]1C#N ZINC001579266072 1078606135 /nfs/dbraw/zinc/60/61/35/1078606135.db2.gz COQZFMLPBUXUSA-QPUJVOFHSA-N -1 3 365.210 2.897 20 30 FFEDHM COC(=O)c1ccccc1CSc1c(C#N)cccc1-c1nnn[n-]1 ZINC001579487447 1078635709 /nfs/dbraw/zinc/63/57/09/1078635709.db2.gz JVOIOPYLYXVTJU-UHFFFAOYSA-N -1 3 351.391 2.817 20 30 FFEDHM COC(=O)c1ccccc1CSc1c(C#N)cccc1-c1nn[n-]n1 ZINC001579487447 1078635715 /nfs/dbraw/zinc/63/57/15/1078635715.db2.gz JVOIOPYLYXVTJU-UHFFFAOYSA-N -1 3 351.391 2.817 20 30 FFEDHM Cc1c2ccccn2c(NC(=O)c2ccccc2OCC#N)c1-c1nnn[n-]1 ZINC001580523723 1078818844 /nfs/dbraw/zinc/81/88/44/1078818844.db2.gz KYKJGNNQMSVFNI-UHFFFAOYSA-N -1 3 373.376 2.583 20 30 FFEDHM Cc1c2ccccn2c(NC(=O)c2ccccc2OCC#N)c1-c1nn[n-]n1 ZINC001580523723 1078818847 /nfs/dbraw/zinc/81/88/47/1078818847.db2.gz KYKJGNNQMSVFNI-UHFFFAOYSA-N -1 3 373.376 2.583 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCN(c3ccc(F)cc3F)C2)c1[O-] ZINC001551953194 1074874907 /nfs/dbraw/zinc/87/49/07/1074874907.db2.gz ZMHJSXDRXLWWTL-IAAMAZNWSA-N -1 3 361.392 2.812 20 30 FFEDHM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCN([O-])C1=O ZINC001556750711 1075771901 /nfs/dbraw/zinc/77/19/01/1075771901.db2.gz SPMGSMPJWONNKR-LBPRGKRZSA-N -1 3 361.225 2.505 20 30 FFEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)CCC1CCCCC1)C(=O)OCC ZINC001561828200 1076429422 /nfs/dbraw/zinc/42/94/22/1076429422.db2.gz HDZWDIHNDQGTOL-AWEZNQCLSA-N -1 3 351.896 2.951 20 30 FFEDHM N#Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC001569676269 1077158695 /nfs/dbraw/zinc/15/86/95/1077158695.db2.gz QQDLNWPBFRWTEO-MRXNPFEDSA-N -1 3 367.430 2.819 20 30 FFEDHM CC(C)C#CC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001574095841 1077897460 /nfs/dbraw/zinc/89/74/60/1077897460.db2.gz OIUNAWAANYKIPN-WIYYLYMNSA-N -1 3 354.450 2.553 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC001587347308 1079777999 /nfs/dbraw/zinc/77/79/99/1079777999.db2.gz GQGUOBSCGNVFHP-UHFFFAOYSA-N -1 3 360.377 2.595 20 30 FFEDHM C#C[C@H](NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1)C(C)(C)C ZINC001588327772 1079984059 /nfs/dbraw/zinc/98/40/59/1079984059.db2.gz QQSJWBXFKQYQHJ-INIZCTEOSA-N -1 3 351.454 2.843 20 30 FFEDHM C#C[C@H](NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1)C(C)(C)C ZINC001588327772 1079984062 /nfs/dbraw/zinc/98/40/62/1079984062.db2.gz QQSJWBXFKQYQHJ-INIZCTEOSA-N -1 3 351.454 2.843 20 30 FFEDHM C#C[C@H]1CCCN(c2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)C1 ZINC001588331686 1079987492 /nfs/dbraw/zinc/98/74/92/1079987492.db2.gz CHPCJBQKDFCPET-AWEZNQCLSA-N -1 3 357.421 2.826 20 30 FFEDHM C#C[C@H]1CCCN(c2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)C1 ZINC001588331686 1079987497 /nfs/dbraw/zinc/98/74/97/1079987497.db2.gz CHPCJBQKDFCPET-AWEZNQCLSA-N -1 3 357.421 2.826 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588334198 1079988463 /nfs/dbraw/zinc/98/84/63/1079988463.db2.gz QHHVQGXKRTUBSL-KXBFYZLASA-N -1 3 374.448 2.862 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588334198 1079988470 /nfs/dbraw/zinc/98/84/70/1079988470.db2.gz QHHVQGXKRTUBSL-KXBFYZLASA-N -1 3 374.448 2.862 20 30 FFEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588346701 1079990267 /nfs/dbraw/zinc/99/02/67/1079990267.db2.gz UJOGHHQCVLDCNC-UHFFFAOYSA-N -1 3 357.723 2.548 20 30 FFEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588346701 1079990271 /nfs/dbraw/zinc/99/02/71/1079990271.db2.gz UJOGHHQCVLDCNC-UHFFFAOYSA-N -1 3 357.723 2.548 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001588345914 1079990750 /nfs/dbraw/zinc/99/07/50/1079990750.db2.gz VSMPTFQBNFQOMA-IRXDYDNUSA-N -1 3 374.452 2.527 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001588345914 1079990753 /nfs/dbraw/zinc/99/07/53/1079990753.db2.gz VSMPTFQBNFQOMA-IRXDYDNUSA-N -1 3 374.452 2.527 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001588354076 1079991527 /nfs/dbraw/zinc/99/15/27/1079991527.db2.gz PLPXYUXGSSFNBK-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001588354076 1079991533 /nfs/dbraw/zinc/99/15/33/1079991533.db2.gz PLPXYUXGSSFNBK-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM C#CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H]1C[C@H]1CCC ZINC001588349626 1079991797 /nfs/dbraw/zinc/99/17/97/1079991797.db2.gz ILFXVRPABQBQRU-CZUORRHYSA-N -1 3 362.441 2.556 20 30 FFEDHM C#CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H]1C[C@H]1CCC ZINC001588349626 1079991803 /nfs/dbraw/zinc/99/18/03/1079991803.db2.gz ILFXVRPABQBQRU-CZUORRHYSA-N -1 3 362.441 2.556 20 30 FFEDHM C#CCN(CC)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC001588350372 1079992319 /nfs/dbraw/zinc/99/23/19/1079992319.db2.gz RCCOFYCOJSITBU-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM C#CCN(CC)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC001588350372 1079992324 /nfs/dbraw/zinc/99/23/24/1079992324.db2.gz RCCOFYCOJSITBU-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM C#CCOc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588362963 1079993705 /nfs/dbraw/zinc/99/37/05/1079993705.db2.gz BHEFXGCAXDMICV-UHFFFAOYSA-N -1 3 364.365 2.531 20 30 FFEDHM C#CCOc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588362963 1079993711 /nfs/dbraw/zinc/99/37/11/1079993711.db2.gz BHEFXGCAXDMICV-UHFFFAOYSA-N -1 3 364.365 2.531 20 30 FFEDHM C#CCSCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588363040 1079994239 /nfs/dbraw/zinc/99/42/39/1079994239.db2.gz HARHWLPYQSZKEP-UHFFFAOYSA-N -1 3 365.418 2.964 20 30 FFEDHM C#CCSCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588363040 1079994243 /nfs/dbraw/zinc/99/42/43/1079994243.db2.gz HARHWLPYQSZKEP-UHFFFAOYSA-N -1 3 365.418 2.964 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC001588368827 1079995233 /nfs/dbraw/zinc/99/52/33/1079995233.db2.gz YPXLUCZOGALGKW-OAHLLOKOSA-N -1 3 371.322 2.881 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC001588368827 1079995243 /nfs/dbraw/zinc/99/52/43/1079995243.db2.gz YPXLUCZOGALGKW-OAHLLOKOSA-N -1 3 371.322 2.881 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588392838 1080005833 /nfs/dbraw/zinc/00/58/33/1080005833.db2.gz JVQMTECWDXRLNM-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588392838 1080005843 /nfs/dbraw/zinc/00/58/43/1080005843.db2.gz JVQMTECWDXRLNM-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588392547 1080005957 /nfs/dbraw/zinc/00/59/57/1080005957.db2.gz CVIHVGVBNTXJFU-UHFFFAOYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588392547 1080005968 /nfs/dbraw/zinc/00/59/68/1080005968.db2.gz CVIHVGVBNTXJFU-UHFFFAOYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588396944 1080008278 /nfs/dbraw/zinc/00/82/78/1080008278.db2.gz RFJXWJPUAMHUBK-UHFFFAOYSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588396944 1080008284 /nfs/dbraw/zinc/00/82/84/1080008284.db2.gz RFJXWJPUAMHUBK-UHFFFAOYSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1)OCC ZINC001588400706 1080009804 /nfs/dbraw/zinc/00/98/04/1080009804.db2.gz DTLLCHLPAOZHFD-MRXNPFEDSA-N -1 3 356.430 2.751 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588411487 1080015148 /nfs/dbraw/zinc/01/51/48/1080015148.db2.gz DJQRMCJCCNRPTC-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588411487 1080015160 /nfs/dbraw/zinc/01/51/60/1080015160.db2.gz DJQRMCJCCNRPTC-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588412063 1080015192 /nfs/dbraw/zinc/01/51/92/1080015192.db2.gz QTNXTKHYPJBLRJ-CABCVRRESA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588412063 1080015202 /nfs/dbraw/zinc/01/52/02/1080015202.db2.gz QTNXTKHYPJBLRJ-CABCVRRESA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588412004 1080015471 /nfs/dbraw/zinc/01/54/71/1080015471.db2.gz OZVUUZRDKKTYPV-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588412004 1080015479 /nfs/dbraw/zinc/01/54/79/1080015479.db2.gz OZVUUZRDKKTYPV-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=C(C)CN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC001588425612 1080024314 /nfs/dbraw/zinc/02/43/14/1080024314.db2.gz JXLYMWSWABFKPJ-UHFFFAOYSA-N -1 3 362.437 2.884 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001588429290 1080024998 /nfs/dbraw/zinc/02/49/98/1080024998.db2.gz GURNEZMVCZNJJS-KBPBESRZSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001588429290 1080025003 /nfs/dbraw/zinc/02/50/03/1080025003.db2.gz GURNEZMVCZNJJS-KBPBESRZSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C1CC(C)(C(=O)NCCCN(CC)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588454029 1080030690 /nfs/dbraw/zinc/03/06/90/1080030690.db2.gz HKVVEZDIPUSECF-UHFFFAOYSA-N -1 3 372.448 2.695 20 30 FFEDHM C=C1CC(C)(C(=O)NCCCN(CC)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588454029 1080030699 /nfs/dbraw/zinc/03/06/99/1080030699.db2.gz HKVVEZDIPUSECF-UHFFFAOYSA-N -1 3 372.448 2.695 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588461103 1080034960 /nfs/dbraw/zinc/03/49/60/1080034960.db2.gz JNYUOQIGQVRYFX-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588461103 1080034965 /nfs/dbraw/zinc/03/49/65/1080034965.db2.gz JNYUOQIGQVRYFX-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001588475421 1080042732 /nfs/dbraw/zinc/04/27/32/1080042732.db2.gz NORUYMNNSHMOPR-TZMCWYRMSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001588475421 1080042740 /nfs/dbraw/zinc/04/27/40/1080042740.db2.gz NORUYMNNSHMOPR-TZMCWYRMSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)C(C)(C)C ZINC001588476332 1080044368 /nfs/dbraw/zinc/04/43/68/1080044368.db2.gz VCCBJPOYCDOMMC-AWEZNQCLSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)C(C)(C)C ZINC001588476332 1080044380 /nfs/dbraw/zinc/04/43/80/1080044380.db2.gz VCCBJPOYCDOMMC-AWEZNQCLSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588492991 1080057064 /nfs/dbraw/zinc/05/70/64/1080057064.db2.gz YOZWCSQGSYPZFR-AUUYWEPGSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588492991 1080057073 /nfs/dbraw/zinc/05/70/73/1080057073.db2.gz YOZWCSQGSYPZFR-AUUYWEPGSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588520831 1080072763 /nfs/dbraw/zinc/07/27/63/1080072763.db2.gz FXSCKKCNIJIHGQ-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588520831 1080072766 /nfs/dbraw/zinc/07/27/66/1080072766.db2.gz FXSCKKCNIJIHGQ-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588522675 1080074914 /nfs/dbraw/zinc/07/49/14/1080074914.db2.gz FEGMLYUUOUUHDU-KBPBESRZSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588522675 1080074925 /nfs/dbraw/zinc/07/49/25/1080074925.db2.gz FEGMLYUUOUUHDU-KBPBESRZSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@H](CC)CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001588525526 1080078603 /nfs/dbraw/zinc/07/86/03/1080078603.db2.gz IDWMXMMLDQIPHM-LLVKDONJSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C[C@H](CC)CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001588525526 1080078611 /nfs/dbraw/zinc/07/86/11/1080078611.db2.gz IDWMXMMLDQIPHM-LLVKDONJSA-N -1 3 354.370 2.562 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588533410 1080083268 /nfs/dbraw/zinc/08/32/68/1080083268.db2.gz XKIHZDBLVFPXJY-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588533410 1080083274 /nfs/dbraw/zinc/08/32/74/1080083274.db2.gz XKIHZDBLVFPXJY-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC001588565286 1080099749 /nfs/dbraw/zinc/09/97/49/1080099749.db2.gz YRNYNZWAPYTRIK-AWEZNQCLSA-N -1 3 372.498 2.708 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC001588565286 1080099757 /nfs/dbraw/zinc/09/97/57/1080099757.db2.gz YRNYNZWAPYTRIK-AWEZNQCLSA-N -1 3 372.498 2.708 20 30 FFEDHM C=CCCC1(CNC(=O)NCc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588578780 1080106636 /nfs/dbraw/zinc/10/66/36/1080106636.db2.gz FLSVRRCJDCKIAR-UHFFFAOYSA-N -1 3 355.446 2.588 20 30 FFEDHM C=CCCC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588578780 1080106641 /nfs/dbraw/zinc/10/66/41/1080106641.db2.gz FLSVRRCJDCKIAR-UHFFFAOYSA-N -1 3 355.446 2.588 20 30 FFEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588581881 1080107568 /nfs/dbraw/zinc/10/75/68/1080107568.db2.gz CCJWATRMFLQSHC-NSHDSACASA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588581881 1080107571 /nfs/dbraw/zinc/10/75/71/1080107571.db2.gz CCJWATRMFLQSHC-NSHDSACASA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCCCC(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001588587081 1080109846 /nfs/dbraw/zinc/10/98/46/1080109846.db2.gz QKKTWPVQWTYTKA-UHFFFAOYSA-N -1 3 373.436 2.598 20 30 FFEDHM C=CCCCC(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001588587081 1080109854 /nfs/dbraw/zinc/10/98/54/1080109854.db2.gz QKKTWPVQWTYTKA-UHFFFAOYSA-N -1 3 373.436 2.598 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588588196 1080110856 /nfs/dbraw/zinc/11/08/56/1080110856.db2.gz GEEWPKFURHFDHZ-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588588196 1080110860 /nfs/dbraw/zinc/11/08/60/1080110860.db2.gz GEEWPKFURHFDHZ-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588588361 1080110953 /nfs/dbraw/zinc/11/09/53/1080110953.db2.gz LQROCOGWWDRNID-ZDUSSCGKSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588588361 1080110956 /nfs/dbraw/zinc/11/09/56/1080110956.db2.gz LQROCOGWWDRNID-ZDUSSCGKSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588593534 1080115726 /nfs/dbraw/zinc/11/57/26/1080115726.db2.gz DSVKTJFRUKZRSU-KOMQPUFPSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588593534 1080115729 /nfs/dbraw/zinc/11/57/29/1080115729.db2.gz DSVKTJFRUKZRSU-KOMQPUFPSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H](C)COC ZINC001588626420 1080126494 /nfs/dbraw/zinc/12/64/94/1080126494.db2.gz ZEWWYHYACKXTFK-SNVBAGLBSA-N -1 3 366.878 2.740 20 30 FFEDHM C=CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H](C)COC ZINC001588626420 1080126496 /nfs/dbraw/zinc/12/64/96/1080126496.db2.gz ZEWWYHYACKXTFK-SNVBAGLBSA-N -1 3 366.878 2.740 20 30 FFEDHM C=CCN(CC(=O)N(C)[C@@H](C)CC(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588627605 1080127157 /nfs/dbraw/zinc/12/71/57/1080127157.db2.gz BHCFBOUIDPAUFO-INIZCTEOSA-N -1 3 370.501 2.748 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588635581 1080131151 /nfs/dbraw/zinc/13/11/51/1080131151.db2.gz OUEKREKDAKALTQ-ZWKOTPCHSA-N -1 3 363.421 2.821 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588635581 1080131158 /nfs/dbraw/zinc/13/11/58/1080131158.db2.gz OUEKREKDAKALTQ-ZWKOTPCHSA-N -1 3 363.421 2.821 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C/C1(C)CCOCC1 ZINC001588640408 1080132843 /nfs/dbraw/zinc/13/28/43/1080132843.db2.gz PVZMCUKPOQPJEU-BQYQJAHWSA-N -1 3 367.453 2.754 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C/C1(C)CCOCC1 ZINC001588640408 1080132847 /nfs/dbraw/zinc/13/28/47/1080132847.db2.gz PVZMCUKPOQPJEU-BQYQJAHWSA-N -1 3 367.453 2.754 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)noc1CC ZINC001588649415 1080139584 /nfs/dbraw/zinc/13/95/84/1080139584.db2.gz MIONUSTUSSLODI-UHFFFAOYSA-N -1 3 352.398 2.554 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)noc1CC ZINC001588649415 1080139585 /nfs/dbraw/zinc/13/95/85/1080139585.db2.gz MIONUSTUSSLODI-UHFFFAOYSA-N -1 3 352.398 2.554 20 30 FFEDHM C=CCOCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001588681702 1080152375 /nfs/dbraw/zinc/15/23/75/1080152375.db2.gz FURYPEHZTUFLFO-UHFFFAOYSA-N -1 3 366.219 2.551 20 30 FFEDHM C=CCOCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001588681702 1080152378 /nfs/dbraw/zinc/15/23/78/1080152378.db2.gz FURYPEHZTUFLFO-UHFFFAOYSA-N -1 3 366.219 2.551 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1OC ZINC001588689568 1080155616 /nfs/dbraw/zinc/15/56/16/1080155616.db2.gz NKBHMDZMWLRMJP-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1OC ZINC001588689568 1080155621 /nfs/dbraw/zinc/15/56/21/1080155621.db2.gz NKBHMDZMWLRMJP-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCOc1ccc(OS(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)cc1 ZINC001588689208 1080155920 /nfs/dbraw/zinc/15/59/20/1080155920.db2.gz ALOJSOYKAGVYNW-UHFFFAOYSA-N -1 3 372.406 2.508 20 30 FFEDHM C=CCc1cc(CNc2cc(-c3nnn[n-]3)ccn2)cc(OC)c1OC ZINC001588694739 1080159301 /nfs/dbraw/zinc/15/93/01/1080159301.db2.gz LPPZFEIHUBEESC-UHFFFAOYSA-N -1 3 352.398 2.620 20 30 FFEDHM C=CCc1cc(CNc2cc(-c3nn[n-]n3)ccn2)cc(OC)c1OC ZINC001588694739 1080159304 /nfs/dbraw/zinc/15/93/04/1080159304.db2.gz LPPZFEIHUBEESC-UHFFFAOYSA-N -1 3 352.398 2.620 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588694744 1080159631 /nfs/dbraw/zinc/15/96/31/1080159631.db2.gz LSLJYWGYBQGEFP-UHFFFAOYSA-N -1 3 351.366 2.526 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588694744 1080159634 /nfs/dbraw/zinc/15/96/34/1080159634.db2.gz LSLJYWGYBQGEFP-UHFFFAOYSA-N -1 3 351.366 2.526 20 30 FFEDHM C=CCn1c(Cc2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]1CC ZINC001588708870 1080165088 /nfs/dbraw/zinc/16/50/88/1080165088.db2.gz LEYOUZXMMOKISQ-MRXNPFEDSA-N -1 3 364.457 2.614 20 30 FFEDHM C=CCn1c(Cc2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]1CC ZINC001588708870 1080165091 /nfs/dbraw/zinc/16/50/91/1080165091.db2.gz LEYOUZXMMOKISQ-MRXNPFEDSA-N -1 3 364.457 2.614 20 30 FFEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001588780445 1080192228 /nfs/dbraw/zinc/19/22/28/1080192228.db2.gz BAYRXPMILJOXLS-UHFFFAOYSA-N -1 3 368.313 2.519 20 30 FFEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001588780445 1080192230 /nfs/dbraw/zinc/19/22/30/1080192230.db2.gz BAYRXPMILJOXLS-UHFFFAOYSA-N -1 3 368.313 2.519 20 30 FFEDHM C=CCN(C)CCN(CC)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001588822785 1080208318 /nfs/dbraw/zinc/20/83/18/1080208318.db2.gz PUMDEGMGDCRJTE-UHFFFAOYSA-N -1 3 369.259 2.727 20 30 FFEDHM C[C@H](C#N)OCCOc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588933852 1080271706 /nfs/dbraw/zinc/27/17/06/1080271706.db2.gz APNLGGLBHQAHES-CYBMUJFWSA-N -1 3 351.366 2.966 20 30 FFEDHM C[C@H](C#N)OCCOc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588933852 1080271713 /nfs/dbraw/zinc/27/17/13/1080271713.db2.gz APNLGGLBHQAHES-CYBMUJFWSA-N -1 3 351.366 2.966 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1cc(F)cc(C#N)c1 ZINC001589057583 1080329727 /nfs/dbraw/zinc/32/97/27/1080329727.db2.gz DSIRNRMQHRFOBE-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1cc(F)cc(C#N)c1 ZINC001589057583 1080329732 /nfs/dbraw/zinc/32/97/32/1080329732.db2.gz DSIRNRMQHRFOBE-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C)[C@@H](C#N)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001589086307 1080344765 /nfs/dbraw/zinc/34/47/65/1080344765.db2.gz XVHFSMVVVUFSTQ-OAHLLOKOSA-N -1 3 352.442 2.733 20 30 FFEDHM CC(C)(C)[C@@H](C#N)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001589086307 1080344771 /nfs/dbraw/zinc/34/47/71/1080344771.db2.gz XVHFSMVVVUFSTQ-OAHLLOKOSA-N -1 3 352.442 2.733 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589753918 1080704967 /nfs/dbraw/zinc/70/49/67/1080704967.db2.gz DDEOAYVWYAQZIH-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589753918 1080704974 /nfs/dbraw/zinc/70/49/74/1080704974.db2.gz DDEOAYVWYAQZIH-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM C[C@H](CCC#N)c1nnc(N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1C ZINC001589803099 1080758806 /nfs/dbraw/zinc/75/88/06/1080758806.db2.gz NNWLQRLLCHFJGU-CHWSQXEVSA-N -1 3 365.445 2.600 20 30 FFEDHM C[C@H](CCC#N)c1nnc(N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1C ZINC001589803099 1080758813 /nfs/dbraw/zinc/75/88/13/1080758813.db2.gz NNWLQRLLCHFJGU-CHWSQXEVSA-N -1 3 365.445 2.600 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC001589893464 1080840268 /nfs/dbraw/zinc/84/02/68/1080840268.db2.gz WLCKMRQLAAUXBQ-XJKSGUPXSA-N -1 3 352.442 2.586 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC001589893464 1080840271 /nfs/dbraw/zinc/84/02/71/1080840271.db2.gz WLCKMRQLAAUXBQ-XJKSGUPXSA-N -1 3 352.442 2.586 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC001589897564 1080845278 /nfs/dbraw/zinc/84/52/78/1080845278.db2.gz LGAJOFIUJNCLFL-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC001589897564 1080845281 /nfs/dbraw/zinc/84/52/81/1080845281.db2.gz LGAJOFIUJNCLFL-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](NC(=O)N1Cc2cccc(C#N)c2C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589930853 1080872807 /nfs/dbraw/zinc/87/28/07/1080872807.db2.gz HFFRLMTZIZXSRE-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)N1Cc2cccc(C#N)c2C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589930853 1080872811 /nfs/dbraw/zinc/87/28/11/1080872811.db2.gz HFFRLMTZIZXSRE-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C=Cc1ccccc1C#N ZINC001590043737 1080969896 /nfs/dbraw/zinc/96/98/96/1080969896.db2.gz LZQQYEHBLUTYTF-PLSXKVAHSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C=Cc1ccccc1C#N ZINC001590043737 1080969901 /nfs/dbraw/zinc/96/99/01/1080969901.db2.gz LZQQYEHBLUTYTF-PLSXKVAHSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C=Cc1ccccc1C#N ZINC001590043735 1080970368 /nfs/dbraw/zinc/97/03/68/1080970368.db2.gz LZQQYEHBLUTYTF-IWMPZKFUSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C=Cc1ccccc1C#N ZINC001590043735 1080970373 /nfs/dbraw/zinc/97/03/73/1080970373.db2.gz LZQQYEHBLUTYTF-IWMPZKFUSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001590050718 1080979760 /nfs/dbraw/zinc/97/97/60/1080979760.db2.gz STDKUHVCPINGKD-NSHDSACASA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001590050718 1080979765 /nfs/dbraw/zinc/97/97/65/1080979765.db2.gz STDKUHVCPINGKD-NSHDSACASA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@]1(C#N)CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001590054126 1080982742 /nfs/dbraw/zinc/98/27/42/1080982742.db2.gz JBADFBVZIPARCA-HXUWFJFHSA-N -1 3 373.420 2.986 20 30 FFEDHM CC1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)[C@H]1C#N ZINC001590097093 1081010249 /nfs/dbraw/zinc/01/02/49/1081010249.db2.gz OTPCNBWIRBPRLT-XHSDSOJGSA-N -1 3 350.426 2.511 20 30 FFEDHM CC1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)[C@H]1C#N ZINC001590097093 1081010252 /nfs/dbraw/zinc/01/02/52/1081010252.db2.gz OTPCNBWIRBPRLT-XHSDSOJGSA-N -1 3 350.426 2.511 20 30 FFEDHM C[C@]1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1(Cl)Cl ZINC001590123754 1081031713 /nfs/dbraw/zinc/03/17/13/1081031713.db2.gz XNDKYDYUDJNKKG-ZDUSSCGKSA-N -1 3 351.197 2.651 20 30 FFEDHM C[C@]1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1(Cl)Cl ZINC001590123754 1081031717 /nfs/dbraw/zinc/03/17/17/1081031717.db2.gz XNDKYDYUDJNKKG-ZDUSSCGKSA-N -1 3 351.197 2.651 20 30 FFEDHM CC1CC(C#N)(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)C1 ZINC001590179851 1081072085 /nfs/dbraw/zinc/07/20/85/1081072085.db2.gz IGWKNWQVSGCLJW-UHFFFAOYSA-N -1 3 354.414 2.922 20 30 FFEDHM CC1CC(C#N)(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)C1 ZINC001590179851 1081072088 /nfs/dbraw/zinc/07/20/88/1081072088.db2.gz IGWKNWQVSGCLJW-UHFFFAOYSA-N -1 3 354.414 2.922 20 30 FFEDHM C[C@@H]1CCCC[C@@H]1COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590254567 1081126046 /nfs/dbraw/zinc/12/60/46/1081126046.db2.gz WTSQVMJFHYYWQP-XYPHTWIQSA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@@H]1CCCC[C@@H]1COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590254567 1081126048 /nfs/dbraw/zinc/12/60/48/1081126048.db2.gz WTSQVMJFHYYWQP-XYPHTWIQSA-N -1 3 353.426 2.918 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C)Cc2ccccc2C1 ZINC000094099943 250053784 /nfs/dbraw/zinc/05/37/84/250053784.db2.gz LFBQRSMNVHNBJY-UHFFFAOYSA-N -1 3 363.461 2.717 20 30 FFEDHM CC[C@H](C)c1nnc([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[nH]1 ZINC000277687420 256226975 /nfs/dbraw/zinc/22/69/75/256226975.db2.gz CPTRWDRWBDQKKK-GXFFZTMASA-N -1 3 370.457 2.717 20 30 FFEDHM CC[C@H](C)c1nc([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1 ZINC000277687420 256226977 /nfs/dbraw/zinc/22/69/77/256226977.db2.gz CPTRWDRWBDQKKK-GXFFZTMASA-N -1 3 370.457 2.717 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)OCCc2sccc21 ZINC000290111787 257315861 /nfs/dbraw/zinc/31/58/61/257315861.db2.gz JSOAMYHDNVRVNZ-QGZVFWFLSA-N -1 3 362.476 2.527 20 30 FFEDHM C[C@@H]1Sc2ccc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)cc2NC1=O ZINC000053523858 506397128 /nfs/dbraw/zinc/39/71/28/506397128.db2.gz FXFUKBMYWRYLOM-VIFPVBQESA-N -1 3 366.406 2.936 20 30 FFEDHM C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc2NC1=O ZINC000053523858 506397137 /nfs/dbraw/zinc/39/71/37/506397137.db2.gz FXFUKBMYWRYLOM-VIFPVBQESA-N -1 3 366.406 2.936 20 30 FFEDHM C[C@@H]1Sc2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2NC1=O ZINC000053523858 506397144 /nfs/dbraw/zinc/39/71/44/506397144.db2.gz FXFUKBMYWRYLOM-VIFPVBQESA-N -1 3 366.406 2.936 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000067319024 506826699 /nfs/dbraw/zinc/82/66/99/506826699.db2.gz WYIGHYDJVXYEKO-UHFFFAOYSA-N -1 3 369.421 2.899 20 30 FFEDHM Cc1cc(C)c2c(n1)nc(SCC(=O)Nc1cccc(C#N)c1)[n-]c2=O ZINC000014354421 506987037 /nfs/dbraw/zinc/98/70/37/506987037.db2.gz UGOTYQBSSXCOHU-UHFFFAOYSA-N -1 3 365.418 2.950 20 30 FFEDHM Cc1ccc(OCCN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000016174309 507077255 /nfs/dbraw/zinc/07/72/55/507077255.db2.gz WGJDFXMFMWDCNU-UHFFFAOYSA-N -1 3 367.449 2.642 20 30 FFEDHM CCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1OC ZINC000020021303 507207110 /nfs/dbraw/zinc/20/71/10/507207110.db2.gz FBOODUUVHGTDRV-UHFFFAOYSA-N -1 3 369.421 2.842 20 30 FFEDHM Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C#N)CCCC3)c(=O)[n-]1 ZINC000057771294 507323804 /nfs/dbraw/zinc/32/38/04/507323804.db2.gz VOOQNRUDQLSKIN-UHFFFAOYSA-N -1 3 356.451 2.770 20 30 FFEDHM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccco1 ZINC000108399680 507892633 /nfs/dbraw/zinc/89/26/33/507892633.db2.gz TYHLFVNSBHRYCK-QGZVFWFLSA-N -1 3 362.451 2.985 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000074606481 508038412 /nfs/dbraw/zinc/03/84/12/508038412.db2.gz MHFJOAWTUXZYNC-GOSISDBHSA-N -1 3 363.461 2.812 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000076466564 508209996 /nfs/dbraw/zinc/20/99/96/508209996.db2.gz DBWMKRLGBPVHTG-HXUWFJFHSA-N -1 3 363.461 2.934 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2F)c1 ZINC000088546970 508375645 /nfs/dbraw/zinc/37/56/45/508375645.db2.gz QFCJJCJQDBPWPC-UHFFFAOYSA-N -1 3 364.398 2.551 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000127582502 508472224 /nfs/dbraw/zinc/47/22/24/508472224.db2.gz XEVVHODTPTXDCD-IAQYHMDHSA-N -1 3 372.899 2.545 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000156955042 508502584 /nfs/dbraw/zinc/50/25/84/508502584.db2.gz RYAFKHUYJXQWSO-UHFFFAOYSA-N -1 3 359.382 2.691 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000116371094 508503753 /nfs/dbraw/zinc/50/37/53/508503753.db2.gz GEMZKCAWYYGDGY-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)on1 ZINC000157028756 508512433 /nfs/dbraw/zinc/51/24/33/508512433.db2.gz OUBQJPBMWUSPOC-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153224314 508560619 /nfs/dbraw/zinc/56/06/19/508560619.db2.gz HFPYFJNGXGVCCC-LJQANCHMSA-N -1 3 362.433 2.957 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCc1cccc(F)c1 ZINC000157419271 508563985 /nfs/dbraw/zinc/56/39/85/508563985.db2.gz UOZYZZJPNRHWTF-UHFFFAOYSA-N -1 3 363.370 2.517 20 30 FFEDHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000128831885 508649476 /nfs/dbraw/zinc/64/94/76/508649476.db2.gz DKYWYHIHBLBQMO-NSHDSACASA-N -1 3 364.389 2.652 20 30 FFEDHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000120160571 508940653 /nfs/dbraw/zinc/94/06/53/508940653.db2.gz NUDSHVLMJJRKEC-JTQLQIEISA-N -1 3 358.810 2.877 20 30 FFEDHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151099242 508955761 /nfs/dbraw/zinc/95/57/61/508955761.db2.gz HRGSGQYLBPOGAH-JTQLQIEISA-N -1 3 370.352 2.721 20 30 FFEDHM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000126653448 509107978 /nfs/dbraw/zinc/10/79/78/509107978.db2.gz USWHTRVBHGEOFS-UHFFFAOYSA-N -1 3 356.447 2.857 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1noc(Cc2ccccc2)n1 ZINC000175878200 509194365 /nfs/dbraw/zinc/19/43/65/509194365.db2.gz HCYASLRVQJNJIP-CYBMUJFWSA-N -1 3 368.418 2.572 20 30 FFEDHM O=S(=O)([N-]C1CCN(CC#Cc2ccccc2)CC1)c1cccs1 ZINC000191884958 509229933 /nfs/dbraw/zinc/22/99/33/509229933.db2.gz MAKFTFBPUCIWBX-UHFFFAOYSA-N -1 3 360.504 2.543 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000163320572 509362904 /nfs/dbraw/zinc/36/29/04/509362904.db2.gz DBILTZAXYLVZQH-SJORKVTESA-N -1 3 360.410 2.896 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cccs1 ZINC000186056522 509503572 /nfs/dbraw/zinc/50/35/72/509503572.db2.gz AVEHJMMISBQDJA-CYBMUJFWSA-N -1 3 369.899 2.854 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c(Cl)c1 ZINC000186276130 509618183 /nfs/dbraw/zinc/61/81/83/509618183.db2.gz WXOXSLFUGJVPTM-UHFFFAOYSA-N -1 3 356.875 2.823 20 30 FFEDHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000167647114 509636444 /nfs/dbraw/zinc/63/64/44/509636444.db2.gz IQSHKSWXGRARGX-UHFFFAOYSA-N -1 3 366.874 2.548 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000170735436 509746229 /nfs/dbraw/zinc/74/62/29/509746229.db2.gz YGUBPJBFDQPLAL-MRXNPFEDSA-N -1 3 350.827 2.878 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000193034723 509746510 /nfs/dbraw/zinc/74/65/10/509746510.db2.gz MGSBXSSCIOQWPK-UHFFFAOYSA-N -1 3 361.405 2.825 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000186580792 509782523 /nfs/dbraw/zinc/78/25/23/509782523.db2.gz TYUQHVFKMNQQCC-BDJLRTHQSA-N -1 3 370.858 2.877 20 30 FFEDHM C[C@@H](CC#N)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183515736 509836893 /nfs/dbraw/zinc/83/68/93/509836893.db2.gz SDLHVCUCLYYLKQ-KBXCAEBGSA-N -1 3 351.406 2.672 20 30 FFEDHM COc1ccc(CN2CCCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000190044664 509904773 /nfs/dbraw/zinc/90/47/73/509904773.db2.gz LYEDVLAOFANYPT-UHFFFAOYSA-N -1 3 365.433 2.621 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CCCCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000174042465 509921505 /nfs/dbraw/zinc/92/15/05/509921505.db2.gz RPYPMADZCQIGBC-LLVKDONJSA-N -1 3 352.391 2.550 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCCCCC#N)cs2)c1 ZINC000183730358 509950150 /nfs/dbraw/zinc/95/01/50/509950150.db2.gz UBVAPFIJVLDZQK-UHFFFAOYSA-N -1 3 372.450 2.762 20 30 FFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C12CCC2 ZINC000183735846 509952122 /nfs/dbraw/zinc/95/21/22/509952122.db2.gz SXZJPTJTZOQKTJ-HUUCEWRRSA-N -1 3 354.859 2.838 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187428241 510260767 /nfs/dbraw/zinc/26/07/67/510260767.db2.gz UTCAPLXJXQBITG-AWEZNQCLSA-N -1 3 371.886 2.837 20 30 FFEDHM Cc1cc(C)c2c(c1)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2 ZINC000187722825 510403228 /nfs/dbraw/zinc/40/32/28/510403228.db2.gz XTZQJSIFOLYGQK-UHFFFAOYSA-N -1 3 363.461 2.998 20 30 FFEDHM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1cnc2ccccc2n1 ZINC000190917118 510415234 /nfs/dbraw/zinc/41/52/34/510415234.db2.gz WYWULENOTUHVEA-INIZCTEOSA-N -1 3 354.373 2.760 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cc1F ZINC000191030193 510473130 /nfs/dbraw/zinc/47/31/30/510473130.db2.gz UUBODIWUBYAPQC-UHFFFAOYSA-N -1 3 362.430 2.912 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cc1F ZINC000191030193 510473137 /nfs/dbraw/zinc/47/31/37/510473137.db2.gz UUBODIWUBYAPQC-UHFFFAOYSA-N -1 3 362.430 2.912 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C#N)c1ccccc1Cl ZINC000172033588 510508486 /nfs/dbraw/zinc/50/84/86/510508486.db2.gz ZEFDBOHVYXIBGW-KRWDZBQOSA-N -1 3 368.824 2.831 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000175297914 510576499 /nfs/dbraw/zinc/57/64/99/510576499.db2.gz GFHZUWBGDXNLRL-IBGZPJMESA-N -1 3 366.465 2.747 20 30 FFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182011471 510707093 /nfs/dbraw/zinc/70/70/93/510707093.db2.gz YBYZOXFMPLLGLV-HZMBPMFUSA-N -1 3 357.819 2.999 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182011455 510707236 /nfs/dbraw/zinc/70/72/36/510707236.db2.gz YBYZOXFMPLLGLV-YGRLFVJLSA-N -1 3 357.819 2.999 20 30 FFEDHM CC[C@@]([N-]S(=O)(=O)CCCCC#N)(C(=O)OC)c1ccc(Cl)cc1 ZINC000285370236 510879613 /nfs/dbraw/zinc/87/96/13/510879613.db2.gz QXPWZPPBJYWTHN-INIZCTEOSA-N -1 3 372.874 2.732 20 30 FFEDHM COc1cc(/C=C/C(=O)N[C@H](C#N)C(C)C)cc(Br)c1[O-] ZINC000286427652 511024913 /nfs/dbraw/zinc/02/49/13/511024913.db2.gz ROHBILJHAZPVGT-ZYOFXKKJSA-N -1 3 353.216 2.841 20 30 FFEDHM N#CC[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000298079398 511167136 /nfs/dbraw/zinc/16/71/36/511167136.db2.gz KULKJGCPCJFEEH-HOCLYGCPSA-N -1 3 370.453 2.835 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000298360540 511257532 /nfs/dbraw/zinc/25/75/32/511257532.db2.gz KTZIQNYCBXMUMM-QGZVFWFLSA-N -1 3 372.494 2.689 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1cccc(F)c1 ZINC000298393278 511268091 /nfs/dbraw/zinc/26/80/91/511268091.db2.gz LBEVUCIDJUFWLK-UHFFFAOYSA-N -1 3 357.385 2.543 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000279949540 511278109 /nfs/dbraw/zinc/27/81/09/511278109.db2.gz PASTWSFTAOBBBH-UHFFFAOYSA-N -1 3 365.433 2.743 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1OCCc2sccc21 ZINC000291961582 511407655 /nfs/dbraw/zinc/40/76/55/511407655.db2.gz PMXXHJORXBPGTN-QFYYESIMSA-N -1 3 366.439 2.740 20 30 FFEDHM COc1cccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000299281715 511577311 /nfs/dbraw/zinc/57/73/11/511577311.db2.gz HXDHPCLVABPBPZ-UHFFFAOYSA-N -1 3 353.422 2.876 20 30 FFEDHM COc1cc(Cl)cc(CN2CCN(c3cc(C#N)ccn3)CC2)c1[O-] ZINC000273739660 511593475 /nfs/dbraw/zinc/59/34/75/511593475.db2.gz LQNMFRKUQOCMLQ-UHFFFAOYSA-N -1 3 358.829 2.643 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccnc1)C1CC1 ZINC000299359030 511607115 /nfs/dbraw/zinc/60/71/15/511607115.db2.gz XYEATONMDVQOHC-UHFFFAOYSA-N -1 3 350.422 2.795 20 30 FFEDHM N#CCCN(C(=O)CCC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000275195652 512071629 /nfs/dbraw/zinc/07/16/29/512071629.db2.gz FMFCTDQNRRBLGQ-UHFFFAOYSA-N -1 3 357.332 2.714 20 30 FFEDHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NC1(C(F)F)CC1 ZINC000411511340 512669198 /nfs/dbraw/zinc/66/91/98/512669198.db2.gz YPGBEBOXFKSIFN-SECBINFHSA-N -1 3 372.240 2.598 20 30 FFEDHM CC[C@H](NC(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)F ZINC000411563489 512690934 /nfs/dbraw/zinc/69/09/34/512690934.db2.gz CUVBEUWPBGMOHB-WPRPVWTQSA-N -1 3 374.256 2.844 20 30 FFEDHM COC1(c2ccccc2)CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000376288852 512751496 /nfs/dbraw/zinc/75/14/96/512751496.db2.gz JDXLNBGHTLVUMQ-UHFFFAOYSA-N -1 3 365.433 2.592 20 30 FFEDHM C#CCCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000376325810 512768971 /nfs/dbraw/zinc/76/89/71/512768971.db2.gz ZNKFOYXKKBERBS-NSHDSACASA-N -1 3 353.831 2.784 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000380733418 512872750 /nfs/dbraw/zinc/87/27/50/512872750.db2.gz SGGMMGBQODTNPX-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(Br)c1 ZINC000383945785 512883066 /nfs/dbraw/zinc/88/30/66/512883066.db2.gz ZDCBXYZDWMCUQF-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM COCCOc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429580410 513415439 /nfs/dbraw/zinc/41/54/39/513415439.db2.gz UIEKNNFSAUSYOD-OAHLLOKOSA-N -1 3 350.378 2.782 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C(=O)Cc1ccccc1 ZINC000440985773 513453545 /nfs/dbraw/zinc/45/35/45/513453545.db2.gz JSQUUXPOEHFLSK-HNNXBMFYSA-N -1 3 365.433 2.525 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)c3c([O-])cccc3O)CC2)c(Cl)c1 ZINC000447574891 513512328 /nfs/dbraw/zinc/51/23/28/513512328.db2.gz WWGJKMGYEAXAQD-UHFFFAOYSA-N -1 3 357.797 2.585 20 30 FFEDHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(C)C ZINC000435431539 513583299 /nfs/dbraw/zinc/58/32/99/513583299.db2.gz DTGBSCJQUHXZHF-HNNXBMFYSA-N -1 3 353.513 2.597 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000435433484 513585061 /nfs/dbraw/zinc/58/50/61/513585061.db2.gz OBZQRSDWGFXXHF-UHFFFAOYSA-N -1 3 371.827 2.702 20 30 FFEDHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435433728 513587278 /nfs/dbraw/zinc/58/72/78/513587278.db2.gz PBDSDMAGEIJIIC-UHFFFAOYSA-N -1 3 372.475 2.901 20 30 FFEDHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435439031 513587482 /nfs/dbraw/zinc/58/74/82/513587482.db2.gz SOZPLBHNCWKWLQ-SECBINFHSA-N -1 3 358.391 2.644 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000435596193 513630323 /nfs/dbraw/zinc/63/03/23/513630323.db2.gz XGQQKOIBJWTAOS-SWLSCSKDSA-N -1 3 374.384 2.837 20 30 FFEDHM C=C(C[N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)c1ccccc1 ZINC000451552019 513827455 /nfs/dbraw/zinc/82/74/55/513827455.db2.gz MEZLGEVULFLXCR-ZDUSSCGKSA-N -1 3 365.373 2.503 20 30 FFEDHM COc1cccc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000443014460 513842699 /nfs/dbraw/zinc/84/26/99/513842699.db2.gz PRLXTWYLNXUPMF-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451583458 513847985 /nfs/dbraw/zinc/84/79/85/513847985.db2.gz OQLOBKRBFUYIGG-UHFFFAOYSA-N -1 3 353.831 2.743 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCC(C)CC1 ZINC000443038920 513849124 /nfs/dbraw/zinc/84/91/24/513849124.db2.gz RESMSQGSYRMBNI-CYBMUJFWSA-N -1 3 355.891 2.610 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CS1 ZINC000416593184 513854304 /nfs/dbraw/zinc/85/43/04/513854304.db2.gz PEOZWEGDKSZGAE-PSASIEDQSA-N -1 3 350.387 2.749 20 30 FFEDHM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000416610713 513867091 /nfs/dbraw/zinc/86/70/91/513867091.db2.gz AGSBZLONHBQOGO-SNVBAGLBSA-N -1 3 373.272 2.557 20 30 FFEDHM CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000451861144 514026991 /nfs/dbraw/zinc/02/69/91/514026991.db2.gz UUZUPUMWQZZNEZ-CZUORRHYSA-N -1 3 358.891 2.779 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(OC)c(OC)cc1Br ZINC000416944965 514059327 /nfs/dbraw/zinc/05/93/27/514059327.db2.gz VRKGMWSLAUZSFP-QMMMGPOBSA-N -1 3 363.233 2.510 20 30 FFEDHM N#Cc1cccc(N2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)CC2)n1 ZINC000436988744 514064191 /nfs/dbraw/zinc/06/41/91/514064191.db2.gz YCFLLJPSYALPPT-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)OCC ZINC000451980875 514108377 /nfs/dbraw/zinc/10/83/77/514108377.db2.gz AKJCLOVLAQJKBE-LBPRGKRZSA-N -1 3 361.847 2.525 20 30 FFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414450872 514125122 /nfs/dbraw/zinc/12/51/22/514125122.db2.gz HUINMQZSXHSCGQ-GFCCVEGCSA-N -1 3 363.317 2.584 20 30 FFEDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452036099 514150796 /nfs/dbraw/zinc/15/07/96/514150796.db2.gz ZIVFTOIQVAHKPI-UHFFFAOYSA-N -1 3 364.389 2.652 20 30 FFEDHM C=C[C@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1 ZINC000432796782 514288612 /nfs/dbraw/zinc/28/86/12/514288612.db2.gz JGVJGPBTXVEDSP-ZDUSSCGKSA-N -1 3 360.439 2.720 20 30 FFEDHM C=C(C)CNC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1 ZINC000432806977 514291146 /nfs/dbraw/zinc/29/11/46/514291146.db2.gz UWGYQUMOFOUINK-UHFFFAOYSA-N -1 3 360.439 2.721 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)cc1F ZINC000444884783 514361309 /nfs/dbraw/zinc/36/13/09/514361309.db2.gz YPLYWUPKHNFNHM-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM O=S(=O)(CCOCC1CC1)[N-]c1cccc(C#Cc2ccccn2)c1 ZINC000424211681 514419386 /nfs/dbraw/zinc/41/93/86/514419386.db2.gz XYYABEWQGQYRNL-UHFFFAOYSA-N -1 3 356.447 2.650 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000428241112 514429801 /nfs/dbraw/zinc/42/98/01/514429801.db2.gz KCWVFRBPVLKFOB-UHFFFAOYSA-N -1 3 367.352 2.940 20 30 FFEDHM CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428241745 514430275 /nfs/dbraw/zinc/43/02/75/514430275.db2.gz KXWSMLDLFUDBQW-UHFFFAOYSA-N -1 3 359.451 2.747 20 30 FFEDHM CCCc1c([N-]S(=O)(=O)N2CCC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000438807258 514445607 /nfs/dbraw/zinc/44/56/07/514445607.db2.gz DKUXSWPAVVDOLB-CQSZACIVSA-N -1 3 373.482 2.837 20 30 FFEDHM CC[C@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428409236 514469695 /nfs/dbraw/zinc/46/96/95/514469695.db2.gz LXMAZSSITUBMQB-AWEZNQCLSA-N -1 3 359.451 2.918 20 30 FFEDHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428414643 514470440 /nfs/dbraw/zinc/47/04/40/514470440.db2.gz QRYLSRYNPXSZNP-ZBEGNZNMSA-N -1 3 365.842 2.661 20 30 FFEDHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428414640 514471131 /nfs/dbraw/zinc/47/11/31/514471131.db2.gz QRYLSRYNPXSZNP-BDJLRTHQSA-N -1 3 365.842 2.661 20 30 FFEDHM CCOC(=O)c1c([N-]C(=O)C(=O)N(C)[C@H](C)CC#N)scc1C(C)C ZINC000439394547 514543755 /nfs/dbraw/zinc/54/37/55/514543755.db2.gz GUYVFKAXRUYYJD-LLVKDONJSA-N -1 3 365.455 2.747 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1ncc(Cl)cc1Cl ZINC000470836331 514634246 /nfs/dbraw/zinc/63/42/46/514634246.db2.gz NXXPROHKJRHIGL-UHFFFAOYSA-N -1 3 360.226 2.602 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000508012313 514638566 /nfs/dbraw/zinc/63/85/66/514638566.db2.gz KFKRIJSICQCHSB-LBPRGKRZSA-N -1 3 352.403 2.770 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)cn1 ZINC000508083120 514659992 /nfs/dbraw/zinc/65/99/92/514659992.db2.gz KDVKERZGVNGDAV-UHFFFAOYSA-N -1 3 357.769 2.677 20 30 FFEDHM CC(C)OCCS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000484617444 514712596 /nfs/dbraw/zinc/71/25/96/514712596.db2.gz OVVCYUTTXSOVMW-UHFFFAOYSA-N -1 3 366.361 2.666 20 30 FFEDHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475788095 514809585 /nfs/dbraw/zinc/80/95/85/514809585.db2.gz KXBMSXOHLJTBLF-STQMWFEESA-N -1 3 355.891 2.753 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)c1 ZINC000476422894 515042120 /nfs/dbraw/zinc/04/21/20/515042120.db2.gz MEMVNKVXAGBYIW-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM C[C@@H]1CCCN1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000471900879 515049135 /nfs/dbraw/zinc/04/91/35/515049135.db2.gz HKTLDILSAYVAAR-CYBMUJFWSA-N -1 3 358.423 2.887 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1C#N ZINC000480980155 515160140 /nfs/dbraw/zinc/16/01/40/515160140.db2.gz NRYFCVXYWAGIAF-UHFFFAOYSA-N -1 3 368.319 2.804 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1C#N ZINC000480980155 515160146 /nfs/dbraw/zinc/16/01/46/515160146.db2.gz NRYFCVXYWAGIAF-UHFFFAOYSA-N -1 3 368.319 2.804 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1C#N ZINC000480980155 515160154 /nfs/dbraw/zinc/16/01/54/515160154.db2.gz NRYFCVXYWAGIAF-UHFFFAOYSA-N -1 3 368.319 2.804 20 30 FFEDHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000462688793 515190638 /nfs/dbraw/zinc/19/06/38/515190638.db2.gz NKDXBVHYOGNTRQ-AWEZNQCLSA-N -1 3 370.446 2.876 20 30 FFEDHM N#Cc1ccc(CN2CCCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000459285859 515446810 /nfs/dbraw/zinc/44/68/10/515446810.db2.gz XEBQGCYTTAUABX-UHFFFAOYSA-N -1 3 363.465 2.639 20 30 FFEDHM C=C(CC)CNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000456829494 515448318 /nfs/dbraw/zinc/44/83/18/515448318.db2.gz OHDXYNALSWVHBI-UHFFFAOYSA-N -1 3 358.442 2.727 20 30 FFEDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000469198914 515715715 /nfs/dbraw/zinc/71/57/15/515715715.db2.gz IJPBKLMWOFGBGO-UHFFFAOYSA-N -1 3 357.313 2.787 20 30 FFEDHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000511017628 515746109 /nfs/dbraw/zinc/74/61/09/515746109.db2.gz RLIKONGYLNLKEA-UHFFFAOYSA-N -1 3 373.416 2.778 20 30 FFEDHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000487119596 515766714 /nfs/dbraw/zinc/76/67/14/515766714.db2.gz NFZOHTTUFYJYFH-LLVKDONJSA-N -1 3 369.368 2.882 20 30 FFEDHM N#Cc1ccc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1F ZINC000478355753 515792199 /nfs/dbraw/zinc/79/21/99/515792199.db2.gz PRARHFLYZUTNJN-DEOSSOPVSA-N -1 3 359.304 2.661 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000464649038 515909822 /nfs/dbraw/zinc/90/98/22/515909822.db2.gz STJVIJOUPAXXPQ-UHFFFAOYSA-N -1 3 370.800 2.543 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000511733691 516016015 /nfs/dbraw/zinc/01/60/15/516016015.db2.gz IRGXAGYZRMWJDA-MLGOLLRUSA-N -1 3 354.244 2.795 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000511733689 516016084 /nfs/dbraw/zinc/01/60/84/516016084.db2.gz IRGXAGYZRMWJDA-BLLLJJGKSA-N -1 3 354.244 2.795 20 30 FFEDHM C[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000512106520 516153899 /nfs/dbraw/zinc/15/38/99/516153899.db2.gz PVBIYSVUJGROFL-LBPRGKRZSA-N -1 3 361.398 2.658 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)Cc2c(F)cccc2C#N)n[n-]1 ZINC000507434633 516210971 /nfs/dbraw/zinc/21/09/71/516210971.db2.gz SJPRGFWCTQTLIC-UHFFFAOYSA-N -1 3 351.341 2.672 20 30 FFEDHM N#Cc1cc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c[nH]1 ZINC000495882691 516217990 /nfs/dbraw/zinc/21/79/90/516217990.db2.gz HZNYZZBYBMTMDQ-UHFFFAOYSA-N -1 3 374.173 2.852 20 30 FFEDHM C[C@H](NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(C#N)cc1F ZINC000512626715 516315705 /nfs/dbraw/zinc/31/57/05/516315705.db2.gz VWIDKEFWIPQMIG-YUNKPMOVSA-N -1 3 366.396 2.603 20 30 FFEDHM CN(CC(C)(C)C#N)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000497413241 516320729 /nfs/dbraw/zinc/32/07/29/516320729.db2.gz AIGSAKAAMVBHJU-UHFFFAOYSA-N -1 3 362.227 2.912 20 30 FFEDHM C=CCSCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000543747349 516407053 /nfs/dbraw/zinc/40/70/53/516407053.db2.gz WBDSRNAKOPTUAX-UHFFFAOYSA-N -1 3 367.268 2.940 20 30 FFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000557812773 516451011 /nfs/dbraw/zinc/45/10/11/516451011.db2.gz DRFDGZCPYWGZHT-VIFPVBQESA-N -1 3 354.229 2.578 20 30 FFEDHM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCCC2)c(F)c1 ZINC000528479568 516469575 /nfs/dbraw/zinc/46/95/75/516469575.db2.gz WTCVTMYMTIKPCJ-AWEZNQCLSA-N -1 3 369.437 2.522 20 30 FFEDHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)n1 ZINC000535764912 516498156 /nfs/dbraw/zinc/49/81/56/516498156.db2.gz YRVAACDMAANOFX-UHFFFAOYSA-N -1 3 364.446 2.871 20 30 FFEDHM C=CCCCCCN(C)C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000523542789 516502221 /nfs/dbraw/zinc/50/22/21/516502221.db2.gz KEWJKBCXEFPYLW-UHFFFAOYSA-N -1 3 356.463 2.699 20 30 FFEDHM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000540321393 516509441 /nfs/dbraw/zinc/50/94/41/516509441.db2.gz PTXIQTWKYGYATG-AAEUAGOBSA-N -1 3 362.373 2.670 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CCC1 ZINC000547785604 516561905 /nfs/dbraw/zinc/56/19/05/516561905.db2.gz WZSZEYDVNUWKKJ-CVEARBPZSA-N -1 3 352.431 2.659 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(F)cc1F ZINC000513378424 516593337 /nfs/dbraw/zinc/59/33/37/516593337.db2.gz OXFKOQDIVCCKBN-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000540531793 516604630 /nfs/dbraw/zinc/60/46/30/516604630.db2.gz KVMDZMRQQWHFRN-LBPRGKRZSA-N -1 3 370.453 2.869 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000561555623 516651031 /nfs/dbraw/zinc/65/10/31/516651031.db2.gz IEPZQVRRIXOODT-QGHHPUGFSA-N -1 3 364.373 2.778 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000536247680 516695805 /nfs/dbraw/zinc/69/58/05/516695805.db2.gz FAEFDVMUXCBPBA-IBGZPJMESA-N -1 3 350.422 2.871 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000548441028 516986813 /nfs/dbraw/zinc/98/68/13/516986813.db2.gz QMMVOQCFDDEXRO-SCLBCKFNSA-N -1 3 361.442 2.667 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000537183695 517072586 /nfs/dbraw/zinc/07/25/86/517072586.db2.gz MFQUFVCNCNCUNT-GTNSWQLSSA-N -1 3 366.389 2.891 20 30 FFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)cc1 ZINC000559082012 517073434 /nfs/dbraw/zinc/07/34/34/517073434.db2.gz HRFASKJCGWGSGF-UHFFFAOYSA-N -1 3 364.373 2.798 20 30 FFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C2CC2)s1 ZINC000525699014 517123329 /nfs/dbraw/zinc/12/33/29/517123329.db2.gz VNEWMTPWYKSWQX-AWEZNQCLSA-N -1 3 351.428 2.892 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)s1 ZINC000562461894 517124197 /nfs/dbraw/zinc/12/41/97/517124197.db2.gz QMMZVTRPHRLCIE-UHFFFAOYSA-N -1 3 358.391 2.742 20 30 FFEDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000532774814 517138212 /nfs/dbraw/zinc/13/82/12/517138212.db2.gz RQKGEQHMXYLUFK-OAHLLOKOSA-N -1 3 350.827 2.532 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000562533536 517173419 /nfs/dbraw/zinc/17/34/19/517173419.db2.gz QOTZZPSVMVQMLN-UHFFFAOYSA-N -1 3 361.854 2.964 20 30 FFEDHM CCCc1c([N-]S(=O)(=O)N(C)CC2CC2)cnn1-c1cccc(C#N)c1 ZINC000525876441 517211610 /nfs/dbraw/zinc/21/16/10/517211610.db2.gz VNINQFBCTCZAHR-UHFFFAOYSA-N -1 3 373.482 2.695 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000533090480 517288207 /nfs/dbraw/zinc/28/82/07/517288207.db2.gz KPLUTWFSUWCLHG-JTQLQIEISA-N -1 3 352.437 2.658 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)s1 ZINC000559578644 517323446 /nfs/dbraw/zinc/32/34/46/517323446.db2.gz ZGCBSZSYCXAAOL-ZDUSSCGKSA-N -1 3 367.521 2.797 20 30 FFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000556391471 517405745 /nfs/dbraw/zinc/40/57/45/517405745.db2.gz BAKPUNVBVFBEOW-UHFFFAOYSA-N -1 3 352.774 2.512 20 30 FFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)cc1 ZINC000556396505 517406943 /nfs/dbraw/zinc/40/69/43/517406943.db2.gz ZBUOPCPTTUEWOE-UHFFFAOYSA-N -1 3 366.801 2.653 20 30 FFEDHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000533909813 517662431 /nfs/dbraw/zinc/66/24/31/517662431.db2.gz FGFSFJPVJLMPIS-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM CC(C)[C@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553522874 517759633 /nfs/dbraw/zinc/75/96/33/517759633.db2.gz NCHGUIWLANTEQP-KRWDZBQOSA-N -1 3 361.467 2.586 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000549914959 517778845 /nfs/dbraw/zinc/77/88/45/517778845.db2.gz FGNUXRILDKGKEB-LLVKDONJSA-N -1 3 361.370 2.905 20 30 FFEDHM N#Cc1c(NCCCNC(=O)c2cccc([O-])c2)nc2cc(Cl)ccn21 ZINC000557567283 518080692 /nfs/dbraw/zinc/08/06/92/518080692.db2.gz SWFUTQMKTWRYCO-UHFFFAOYSA-N -1 3 369.812 2.797 20 30 FFEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000534974280 518103173 /nfs/dbraw/zinc/10/31/73/518103173.db2.gz QSLMEFLJIWHIMS-LLVKDONJSA-N -1 3 357.366 2.691 20 30 FFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000573333454 518616856 /nfs/dbraw/zinc/61/68/56/518616856.db2.gz NFPOJHLENOOJCG-UHFFFAOYSA-N -1 3 370.272 2.929 20 30 FFEDHM COC(=O)c1cc(Cl)cc(NC(=O)CNc2ccc(C#N)cc2)c1[O-] ZINC000588097583 518723156 /nfs/dbraw/zinc/72/31/56/518723156.db2.gz VUMXKAXIYAIYML-UHFFFAOYSA-N -1 3 359.769 2.754 20 30 FFEDHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(F)cc3C#N)C2)c1 ZINC000579555882 518736239 /nfs/dbraw/zinc/73/62/39/518736239.db2.gz SJLAUYMWAAZILU-SAZUREKKSA-N -1 3 360.410 2.930 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000582536789 518801858 /nfs/dbraw/zinc/80/18/58/518801858.db2.gz MQPQHGKTVWCKBQ-UHFFFAOYSA-N -1 3 357.254 2.861 20 30 FFEDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000565268029 518869365 /nfs/dbraw/zinc/86/93/65/518869365.db2.gz CEVDRAUTJLYJCC-UHFFFAOYSA-N -1 3 364.389 2.918 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1 ZINC000589170267 518938472 /nfs/dbraw/zinc/93/84/72/518938472.db2.gz LSRCFJNYHINBBJ-UHFFFAOYSA-N -1 3 361.445 2.927 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000565414584 518943410 /nfs/dbraw/zinc/94/34/10/518943410.db2.gz UIGKLZGZNLZYAX-JTQLQIEISA-N -1 3 350.469 2.747 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)OCCc2sccc21 ZINC000565569185 519022536 /nfs/dbraw/zinc/02/25/36/519022536.db2.gz VKSUHTADBJAGPV-MRXNPFEDSA-N -1 3 368.524 2.929 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)c(F)c1 ZINC000571938004 519355625 /nfs/dbraw/zinc/35/56/25/519355625.db2.gz YMANJFJAGLDNJA-UHFFFAOYSA-N -1 3 361.373 2.839 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1COCc2ccccc21 ZINC000569331957 519496446 /nfs/dbraw/zinc/49/64/46/519496446.db2.gz NFVOHLHYEGINOR-GOSISDBHSA-N -1 3 351.406 2.596 20 30 FFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C4CCOCC4)nn3)sc2C1 ZINC000572333208 519558552 /nfs/dbraw/zinc/55/85/52/519558552.db2.gz CDBISCCUCWWVBD-NSHDSACASA-N -1 3 371.466 2.940 20 30 FFEDHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000581271527 519607700 /nfs/dbraw/zinc/60/77/00/519607700.db2.gz CZXRADQYMANYFU-KDOFPFPSSA-N -1 3 373.453 2.639 20 30 FFEDHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000581271529 519608289 /nfs/dbraw/zinc/60/82/89/519608289.db2.gz CZXRADQYMANYFU-RDTXWAMCSA-N -1 3 373.453 2.639 20 30 FFEDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C1CCCCCC1 ZINC000594481668 519990225 /nfs/dbraw/zinc/99/02/25/519990225.db2.gz FJVVEKRYMOYAQP-HNNXBMFYSA-N -1 3 356.488 2.502 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2c(c1)CCCN2 ZINC000591684186 519996984 /nfs/dbraw/zinc/99/69/84/519996984.db2.gz GPGUNBZDJBBLGP-UHFFFAOYSA-N -1 3 364.449 2.883 20 30 FFEDHM N#Cc1cccc2c1CN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C2 ZINC000603043738 520043344 /nfs/dbraw/zinc/04/33/44/520043344.db2.gz OIUJUNVKQLYXDM-UHFFFAOYSA-N -1 3 369.734 2.940 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@]1(C)CCCOC1 ZINC000594768952 520144953 /nfs/dbraw/zinc/14/49/53/520144953.db2.gz YZJDFDUMAOSLSB-MRXNPFEDSA-N -1 3 350.465 2.929 20 30 FFEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3ncccc3C(F)(F)F)CC2)c1 ZINC000592036819 520145500 /nfs/dbraw/zinc/14/55/00/520145500.db2.gz DITGNEWHFCTTFV-UHFFFAOYSA-N -1 3 367.352 2.940 20 30 FFEDHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594781462 520155120 /nfs/dbraw/zinc/15/51/20/520155120.db2.gz PFSAPQKHKCSIJE-UHFFFAOYSA-N -1 3 374.422 2.751 20 30 FFEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594830510 520176699 /nfs/dbraw/zinc/17/66/99/520176699.db2.gz RJFOKJZHXJLDRB-JOCQHMNTSA-N -1 3 350.465 2.927 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCOCC1 ZINC000594846446 520185812 /nfs/dbraw/zinc/18/58/12/520185812.db2.gz SFNYOODEMLZVBZ-UHFFFAOYSA-N -1 3 374.384 2.981 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1(CO)CC=CC1 ZINC000592103279 520187178 /nfs/dbraw/zinc/18/71/78/520187178.db2.gz YZUOJKLXTSHQKP-MRXNPFEDSA-N -1 3 368.886 2.843 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592108109 520189634 /nfs/dbraw/zinc/18/96/34/520189634.db2.gz KPVITAJOXYLWEW-GARJFASQSA-N -1 3 355.257 2.788 20 30 FFEDHM N#CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCC1 ZINC000609577529 520363128 /nfs/dbraw/zinc/36/31/28/520363128.db2.gz PNSSSRPJISHJAP-UHFFFAOYSA-N -1 3 360.211 2.857 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)cn1CC1CC1 ZINC000595317020 520405466 /nfs/dbraw/zinc/40/54/66/520405466.db2.gz KVPSLOXYWUJEGR-CYBMUJFWSA-N -1 3 358.467 2.767 20 30 FFEDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000595353642 520423557 /nfs/dbraw/zinc/42/35/57/520423557.db2.gz KHQRLYBLJMLOEH-HZPDHXFCSA-N -1 3 350.465 2.656 20 30 FFEDHM C[C@H](C#N)N(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC000598130467 520444971 /nfs/dbraw/zinc/44/49/71/520444971.db2.gz DYKVXZABZYMDOG-SECBINFHSA-N -1 3 360.211 2.807 20 30 FFEDHM C[C@H](C#N)N(C(=O)c1cnc2ccc(Br)cc2c1[O-])C1CC1 ZINC000598130467 520444978 /nfs/dbraw/zinc/44/49/78/520444978.db2.gz DYKVXZABZYMDOG-SECBINFHSA-N -1 3 360.211 2.807 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(C#N)c2)cc1OC ZINC000604187116 520477599 /nfs/dbraw/zinc/47/75/99/520477599.db2.gz HCQFOPAGZYEKIX-UHFFFAOYSA-N -1 3 359.407 2.581 20 30 FFEDHM Cc1cc(=O)[n-]c(C(C)(C)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000595525397 520529666 /nfs/dbraw/zinc/52/96/66/520529666.db2.gz FBDPYYBGOWAOBQ-UHFFFAOYSA-N -1 3 373.844 2.869 20 30 FFEDHM C[C@@]1(C#N)CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000598408580 520603758 /nfs/dbraw/zinc/60/37/58/520603758.db2.gz LPGWSBPWTKPLQA-INIZCTEOSA-N -1 3 365.311 2.802 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cc1Br ZINC000598621461 520747674 /nfs/dbraw/zinc/74/76/74/520747674.db2.gz GMKIQZYOVAPJCC-SECBINFHSA-N -1 3 365.199 2.644 20 30 FFEDHM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000598698469 520793869 /nfs/dbraw/zinc/79/38/69/520793869.db2.gz VDSPFJOFRMPRSX-INIZCTEOSA-N -1 3 374.803 2.602 20 30 FFEDHM COc1ccc(F)c(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000598776681 520840493 /nfs/dbraw/zinc/84/04/93/520840493.db2.gz JDUJBZNVMUIHEJ-UHFFFAOYSA-N -1 3 357.385 2.672 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593573363 521085354 /nfs/dbraw/zinc/08/53/54/521085354.db2.gz QGDUACRCRAJEQW-BONVTDFDSA-N -1 3 354.428 2.813 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)Cc2ccccc2Br)CCCC1 ZINC000593623407 521114810 /nfs/dbraw/zinc/11/48/10/521114810.db2.gz KCULIBDKKMTNEA-UHFFFAOYSA-N -1 3 357.273 2.952 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000618602787 521140178 /nfs/dbraw/zinc/14/01/78/521140178.db2.gz MCYSCAFQZIJWRK-GFCCVEGCSA-N -1 3 350.362 2.943 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)[n-]1 ZINC000619449321 521573614 /nfs/dbraw/zinc/57/36/14/521573614.db2.gz BFKOFFNWMCNVKA-UHFFFAOYSA-N -1 3 371.422 2.705 20 30 FFEDHM CCOC(=O)c1nc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)c[n-]1 ZINC000619449321 521573621 /nfs/dbraw/zinc/57/36/21/521573621.db2.gz BFKOFFNWMCNVKA-UHFFFAOYSA-N -1 3 371.422 2.705 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619753299 521854083 /nfs/dbraw/zinc/85/40/83/521854083.db2.gz VMRBWJPYOXFMQW-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM C=CCn1c(C)cc(C(=O)CSc2nc3c(cnn3C)c(=O)[n-]2)c1C ZINC000629217730 522030116 /nfs/dbraw/zinc/03/01/16/522030116.db2.gz LGCFKLQHJIPMBD-UHFFFAOYSA-N -1 3 357.439 2.648 20 30 FFEDHM C=CCCc1ccccc1NC(=O)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000504455413 561658468 /nfs/dbraw/zinc/65/84/68/561658468.db2.gz HEWBILXETYQOEJ-INIZCTEOSA-N -1 3 354.410 2.957 20 30 FFEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000506207785 561693080 /nfs/dbraw/zinc/69/30/80/561693080.db2.gz GKDMJWFUIABXFL-SFHVURJKSA-N -1 3 355.398 2.672 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735974528 598857909 /nfs/dbraw/zinc/85/79/09/598857909.db2.gz LIOBDPXVAHKDOY-NSHDSACASA-N -1 3 350.338 2.513 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735974528 598857910 /nfs/dbraw/zinc/85/79/10/598857910.db2.gz LIOBDPXVAHKDOY-NSHDSACASA-N -1 3 350.338 2.513 20 30 FFEDHM N#Cc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000737715591 598914368 /nfs/dbraw/zinc/91/43/68/598914368.db2.gz BSTJPUAOJWWILW-UHFFFAOYSA-N -1 3 372.360 2.747 20 30 FFEDHM N#Cc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000737715591 598914369 /nfs/dbraw/zinc/91/43/69/598914369.db2.gz BSTJPUAOJWWILW-UHFFFAOYSA-N -1 3 372.360 2.747 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000737716795 598917690 /nfs/dbraw/zinc/91/76/90/598917690.db2.gz UYDDLGJNAYOJPQ-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000737716795 598917692 /nfs/dbraw/zinc/91/76/92/598917692.db2.gz UYDDLGJNAYOJPQ-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM CC1=NN(c2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2)CC1 ZINC000736227381 598925264 /nfs/dbraw/zinc/92/52/64/598925264.db2.gz CVXOFQKARIJKFH-UHFFFAOYSA-N -1 3 372.392 2.577 20 30 FFEDHM CC1=NN(c2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2)CC1 ZINC000736227381 598925266 /nfs/dbraw/zinc/92/52/66/598925266.db2.gz CVXOFQKARIJKFH-UHFFFAOYSA-N -1 3 372.392 2.577 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735580377 598929328 /nfs/dbraw/zinc/92/93/28/598929328.db2.gz DKAREZYXYJAQHJ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735580377 598929329 /nfs/dbraw/zinc/92/93/29/598929329.db2.gz DKAREZYXYJAQHJ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM COc1cc(C#N)ccc1OCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC000737035902 598938592 /nfs/dbraw/zinc/93/85/92/598938592.db2.gz YAUYCKSGGANHMM-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM COc1cc(C#N)ccc1OCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000737035902 598938594 /nfs/dbraw/zinc/93/85/94/598938594.db2.gz YAUYCKSGGANHMM-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cn1 ZINC000737712113 598980665 /nfs/dbraw/zinc/98/06/65/598980665.db2.gz OBBXXSBQWRYCRH-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cn1 ZINC000737712113 598980667 /nfs/dbraw/zinc/98/06/67/598980667.db2.gz OBBXXSBQWRYCRH-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#CC1(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000737677996 599025847 /nfs/dbraw/zinc/02/58/47/599025847.db2.gz FOWFZYFMUDAQSM-UHFFFAOYSA-N -1 3 374.404 2.622 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737082106 599150706 /nfs/dbraw/zinc/15/07/06/599150706.db2.gz UQJZKXOYGSBTFZ-QPJJXVBHSA-N -1 3 365.349 2.988 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737082106 599150708 /nfs/dbraw/zinc/15/07/08/599150708.db2.gz UQJZKXOYGSBTFZ-QPJJXVBHSA-N -1 3 365.349 2.988 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000737107598 599151256 /nfs/dbraw/zinc/15/12/56/599151256.db2.gz DHBUBGGPAXWPFJ-DAXSKMNVSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000737107598 599151259 /nfs/dbraw/zinc/15/12/59/599151259.db2.gz DHBUBGGPAXWPFJ-DAXSKMNVSA-N -1 3 366.377 2.789 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccnc3ccccc23)cc1-c1nnn[n-]1 ZINC000737715906 599192799 /nfs/dbraw/zinc/19/27/99/599192799.db2.gz HRCXSGSEHQAQMF-SOFGYWHQSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccnc3ccccc23)cc1-c1nn[n-]n1 ZINC000737715906 599192801 /nfs/dbraw/zinc/19/28/01/599192801.db2.gz HRCXSGSEHQAQMF-SOFGYWHQSA-N -1 3 367.372 2.938 20 30 FFEDHM CS[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000737171377 599193561 /nfs/dbraw/zinc/19/35/61/599193561.db2.gz OLGBBKRVXDAYHX-HNNXBMFYSA-N -1 3 350.407 2.781 20 30 FFEDHM CS[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000737171377 599193563 /nfs/dbraw/zinc/19/35/63/599193563.db2.gz OLGBBKRVXDAYHX-HNNXBMFYSA-N -1 3 350.407 2.781 20 30 FFEDHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736057021 599195219 /nfs/dbraw/zinc/19/52/19/599195219.db2.gz FWWOZAVTDSXEAM-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736057021 599195221 /nfs/dbraw/zinc/19/52/21/599195221.db2.gz FWWOZAVTDSXEAM-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735409601 599203300 /nfs/dbraw/zinc/20/33/00/599203300.db2.gz GPVIJMKGPGXDJO-LBPRGKRZSA-N -1 3 350.426 2.969 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(CCOCC)CCC1 ZINC000819743906 607312953 /nfs/dbraw/zinc/31/29/53/607312953.db2.gz SFWHMEZZDPSVKK-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(CCOCC)CCC1 ZINC000819743906 607312954 /nfs/dbraw/zinc/31/29/54/607312954.db2.gz SFWHMEZZDPSVKK-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1F ZINC000735420870 598327115 /nfs/dbraw/zinc/32/71/15/598327115.db2.gz VFJGNHAPVYEDGX-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1F ZINC000735420870 598327116 /nfs/dbraw/zinc/32/71/16/598327116.db2.gz VFJGNHAPVYEDGX-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202535 598377412 /nfs/dbraw/zinc/37/74/12/598377412.db2.gz NHBBRZWSPZXZKI-FPLPWBNLSA-N -1 3 364.365 2.727 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202535 598377413 /nfs/dbraw/zinc/37/74/13/598377413.db2.gz NHBBRZWSPZXZKI-FPLPWBNLSA-N -1 3 364.365 2.727 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738179705 598441482 /nfs/dbraw/zinc/44/14/82/598441482.db2.gz ZUNNKUOCTCEXSK-UHFFFAOYSA-N -1 3 366.384 2.914 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738179705 598441483 /nfs/dbraw/zinc/44/14/83/598441483.db2.gz ZUNNKUOCTCEXSK-UHFFFAOYSA-N -1 3 366.384 2.914 20 30 FFEDHM C#CCOc1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000735380235 598493220 /nfs/dbraw/zinc/49/32/20/598493220.db2.gz GMXATKQSJKBMMG-UHFFFAOYSA-N -1 3 350.407 2.688 20 30 FFEDHM C#CCOc1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000735380235 598493221 /nfs/dbraw/zinc/49/32/21/598493221.db2.gz GMXATKQSJKBMMG-UHFFFAOYSA-N -1 3 350.407 2.688 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737720856 598552205 /nfs/dbraw/zinc/55/22/05/598552205.db2.gz AJZJHWCFBPEUTE-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737720856 598552206 /nfs/dbraw/zinc/55/22/06/598552206.db2.gz AJZJHWCFBPEUTE-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737304858 598657403 /nfs/dbraw/zinc/65/74/03/598657403.db2.gz BGVMOFZZGCRYBT-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737304858 598657405 /nfs/dbraw/zinc/65/74/05/598657405.db2.gz BGVMOFZZGCRYBT-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM N#Cc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737712277 598706740 /nfs/dbraw/zinc/70/67/40/598706740.db2.gz PAAZUKJPXDMNSU-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1ccc(CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737712277 598706741 /nfs/dbraw/zinc/70/67/41/598706741.db2.gz PAAZUKJPXDMNSU-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1ccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737718682 598715826 /nfs/dbraw/zinc/71/58/26/598715826.db2.gz ONLGBWRKHVWXPD-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM N#Cc1ccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737718682 598715827 /nfs/dbraw/zinc/71/58/27/598715827.db2.gz ONLGBWRKHVWXPD-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000737015537 598802247 /nfs/dbraw/zinc/80/22/47/598802247.db2.gz QGKXOWJQAGNDNO-HJWRWDBZSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000737015537 598802249 /nfs/dbraw/zinc/80/22/49/598802249.db2.gz QGKXOWJQAGNDNO-HJWRWDBZSA-N -1 3 368.368 2.927 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000735418151 598802993 /nfs/dbraw/zinc/80/29/93/598802993.db2.gz CLWQXRVLBFFEMO-CRAIPNDOSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000735418151 598802994 /nfs/dbraw/zinc/80/29/94/598802994.db2.gz CLWQXRVLBFFEMO-CRAIPNDOSA-N -1 3 369.469 2.977 20 30 FFEDHM Fc1ccc(CNN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000822771642 599338002 /nfs/dbraw/zinc/33/80/02/599338002.db2.gz IOQKTHRNXVXKIL-UHFFFAOYSA-N -1 3 354.364 2.975 20 30 FFEDHM Fc1ccc(CNN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000822771642 599338005 /nfs/dbraw/zinc/33/80/05/599338005.db2.gz IOQKTHRNXVXKIL-UHFFFAOYSA-N -1 3 354.364 2.975 20 30 FFEDHM c1ccc(-c2nnn[n-]2)c(COc2cccc(CN=Nc3cccnn3)c2)c1 ZINC000735401034 599367342 /nfs/dbraw/zinc/36/73/42/599367342.db2.gz VVDOFLUVCXLVOX-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM c1ccc(-c2nn[n-]n2)c(COc2cccc(CN=Nc3cccnn3)c2)c1 ZINC000735401034 599367344 /nfs/dbraw/zinc/36/73/44/599367344.db2.gz VVDOFLUVCXLVOX-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM c1cnnc(N=NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000735397315 599367520 /nfs/dbraw/zinc/36/75/20/599367520.db2.gz BAJYQARRSJDTGD-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM c1cnnc(N=NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000735397315 599367521 /nfs/dbraw/zinc/36/75/21/599367521.db2.gz BAJYQARRSJDTGD-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CCSC ZINC000735420818 599505704 /nfs/dbraw/zinc/50/57/04/599505704.db2.gz UKOFCPJJUAPEFK-ZDUSSCGKSA-N -1 3 360.487 2.706 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CCSC ZINC000735420818 599505706 /nfs/dbraw/zinc/50/57/06/599505706.db2.gz UKOFCPJJUAPEFK-ZDUSSCGKSA-N -1 3 360.487 2.706 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccncc1Cl ZINC000819745394 599649205 /nfs/dbraw/zinc/64/92/05/599649205.db2.gz AVCDWCZUEBTYOH-UHFFFAOYSA-N -1 3 354.801 2.744 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccncc1Cl ZINC000819745394 599649206 /nfs/dbraw/zinc/64/92/06/599649206.db2.gz AVCDWCZUEBTYOH-UHFFFAOYSA-N -1 3 354.801 2.744 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826256970 607388324 /nfs/dbraw/zinc/38/83/24/607388324.db2.gz IQUCONREHRUHHY-UHFFFAOYSA-N -1 3 363.377 2.673 20 30 FFEDHM N#Cc1cc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1F ZINC000826384127 607393896 /nfs/dbraw/zinc/39/38/96/607393896.db2.gz HYHRAPHFINVLTO-UHFFFAOYSA-N -1 3 363.356 2.688 20 30 FFEDHM N#Cc1cc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1F ZINC000826384127 607393898 /nfs/dbraw/zinc/39/38/98/607393898.db2.gz HYHRAPHFINVLTO-UHFFFAOYSA-N -1 3 363.356 2.688 20 30 FFEDHM CCOc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OCC(=O)[O-] ZINC000737179508 600056146 /nfs/dbraw/zinc/05/61/46/600056146.db2.gz MKLYVTHQZCOYSX-LBPRGKRZSA-N -1 3 360.391 2.804 20 30 FFEDHM N#CCC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381646 607429627 /nfs/dbraw/zinc/42/96/27/607429627.db2.gz SUKCKHXHTWIOKQ-SFHVURJKSA-N -1 3 360.421 2.961 20 30 FFEDHM N#CCC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381646 607429629 /nfs/dbraw/zinc/42/96/29/607429629.db2.gz SUKCKHXHTWIOKQ-SFHVURJKSA-N -1 3 360.421 2.961 20 30 FFEDHM Fc1cc(-c2nnn[n-]2)ccc1CN=Nc1nc(-c2ccccc2)no1 ZINC000822740056 607464804 /nfs/dbraw/zinc/46/48/04/607464804.db2.gz GPRQBGVUWVTGLG-UHFFFAOYSA-N -1 3 350.317 2.502 20 30 FFEDHM Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1nc(-c2ccccc2)no1 ZINC000822740056 607464806 /nfs/dbraw/zinc/46/48/06/607464806.db2.gz GPRQBGVUWVTGLG-UHFFFAOYSA-N -1 3 350.317 2.502 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830109892 601236089 /nfs/dbraw/zinc/23/60/89/601236089.db2.gz QPJWCBWOMQGDCI-MELADBBJSA-N -1 3 358.394 2.624 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000832877706 601530432 /nfs/dbraw/zinc/53/04/32/601530432.db2.gz XAYQLCSLUJCMSE-BQFCYCMXSA-N -1 3 357.454 2.591 20 30 FFEDHM CCOc1ccc(O)c(C=NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000825643798 607527282 /nfs/dbraw/zinc/52/72/82/607527282.db2.gz VJENHEKTPKNLEL-ODLFYWEKSA-N -1 3 353.382 2.599 20 30 FFEDHM CCOc1ccc(O)c(C=NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000825643798 607527284 /nfs/dbraw/zinc/52/72/84/607527284.db2.gz VJENHEKTPKNLEL-ODLFYWEKSA-N -1 3 353.382 2.599 20 30 FFEDHM CN(C(=O)[O-])[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000739584610 601972239 /nfs/dbraw/zinc/97/22/39/601972239.db2.gz LNOQVSSATBCBQS-AWEZNQCLSA-N -1 3 364.833 2.614 20 30 FFEDHM CCN(CC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)[O-] ZINC000739384895 602865938 /nfs/dbraw/zinc/86/59/38/602865938.db2.gz LTNCXMQSSCBEGL-ZDUSSCGKSA-N -1 3 354.391 2.858 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CC1 ZINC000738485699 603287922 /nfs/dbraw/zinc/28/79/22/603287922.db2.gz OPQVCJGGKIXZOJ-UHFFFAOYSA-N -1 3 372.469 2.885 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827595072 604220965 /nfs/dbraw/zinc/22/09/65/604220965.db2.gz LJEDAWBZEPWTGV-OWCLPIDISA-N -1 3 371.437 2.895 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819856324 606319480 /nfs/dbraw/zinc/31/94/80/606319480.db2.gz ICQQEXKLFSJDOD-SNVBAGLBSA-N -1 3 353.411 2.699 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819856324 606319482 /nfs/dbraw/zinc/31/94/82/606319482.db2.gz ICQQEXKLFSJDOD-SNVBAGLBSA-N -1 3 353.411 2.699 20 30 FFEDHM C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498200 606342441 /nfs/dbraw/zinc/34/24/41/606342441.db2.gz ZMQYGNXWRDBZAX-CYBMUJFWSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498200 606342443 /nfs/dbraw/zinc/34/24/43/606342443.db2.gz ZMQYGNXWRDBZAX-CYBMUJFWSA-N -1 3 363.377 2.616 20 30 FFEDHM C#CCOc1cccc([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819709856 606464140 /nfs/dbraw/zinc/46/41/40/606464140.db2.gz RRMKHCXPTDSRMS-LLVKDONJSA-N -1 3 354.391 2.858 20 30 FFEDHM C#CCOc1cccc([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819709856 606464142 /nfs/dbraw/zinc/46/41/42/606464142.db2.gz RRMKHCXPTDSRMS-LLVKDONJSA-N -1 3 354.391 2.858 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(F)cc1F ZINC000819743545 606673871 /nfs/dbraw/zinc/67/38/71/606673871.db2.gz LLYBBRONEBMIRH-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(F)cc1F ZINC000819743545 606673872 /nfs/dbraw/zinc/67/38/72/606673872.db2.gz LLYBBRONEBMIRH-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM C=CCOc1ccc(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819759292 606683175 /nfs/dbraw/zinc/68/31/75/606683175.db2.gz SJIJXVNJRDZICX-UHFFFAOYSA-N -1 3 358.304 2.929 20 30 FFEDHM C=CCOc1ccc(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819759292 606683176 /nfs/dbraw/zinc/68/31/76/606683176.db2.gz SJIJXVNJRDZICX-UHFFFAOYSA-N -1 3 358.304 2.929 20 30 FFEDHM CC[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820841787 606788202 /nfs/dbraw/zinc/78/82/02/606788202.db2.gz DNURQVZRMAZIOE-OAHLLOKOSA-N -1 3 362.393 2.999 20 30 FFEDHM CC[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820841787 606788203 /nfs/dbraw/zinc/78/82/03/606788203.db2.gz DNURQVZRMAZIOE-OAHLLOKOSA-N -1 3 362.393 2.999 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC#Cc1ccccc1 ZINC000820001712 607080309 /nfs/dbraw/zinc/08/03/09/607080309.db2.gz ZSNGOATZHOEUQJ-UHFFFAOYSA-N -1 3 362.389 2.619 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccccc1 ZINC000820001712 607080310 /nfs/dbraw/zinc/08/03/10/607080310.db2.gz ZSNGOATZHOEUQJ-UHFFFAOYSA-N -1 3 362.389 2.619 20 30 FFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000821668941 607122303 /nfs/dbraw/zinc/12/23/03/607122303.db2.gz QZPKVHXYEGNVIN-YCRREMRBSA-N -1 3 364.361 2.558 20 30 FFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000821668941 607122304 /nfs/dbraw/zinc/12/23/04/607122304.db2.gz QZPKVHXYEGNVIN-YCRREMRBSA-N -1 3 364.361 2.558 20 30 FFEDHM C=CCCCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000819740070 607239504 /nfs/dbraw/zinc/23/95/04/607239504.db2.gz NLZHHTAMRUCVJM-UHFFFAOYSA-N -1 3 367.203 2.900 20 30 FFEDHM C=CCCCC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000819740070 607239505 /nfs/dbraw/zinc/23/95/05/607239505.db2.gz NLZHHTAMRUCVJM-UHFFFAOYSA-N -1 3 367.203 2.900 20 30 FFEDHM N#CCn1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc2ccccc21 ZINC000822814900 607246250 /nfs/dbraw/zinc/24/62/50/607246250.db2.gz KXHQRMBDANZDNP-UHFFFAOYSA-N -1 3 362.324 2.703 20 30 FFEDHM N#CCn1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc2ccccc21 ZINC000822814900 607246251 /nfs/dbraw/zinc/24/62/51/607246251.db2.gz KXHQRMBDANZDNP-UHFFFAOYSA-N -1 3 362.324 2.703 20 30 FFEDHM N#Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826384677 607835382 /nfs/dbraw/zinc/83/53/82/607835382.db2.gz FHGANUCNTPTNOS-UHFFFAOYSA-N -1 3 373.203 2.975 20 30 FFEDHM N#Cc1ccc(CNC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826384677 607835383 /nfs/dbraw/zinc/83/53/83/607835383.db2.gz FHGANUCNTPTNOS-UHFFFAOYSA-N -1 3 373.203 2.975 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@@H](CN=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824103532 607885826 /nfs/dbraw/zinc/88/58/26/607885826.db2.gz DLOCGQOHBRSSQY-ZDUSSCGKSA-N -1 3 371.445 2.912 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@@H](CN=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824103532 607885827 /nfs/dbraw/zinc/88/58/27/607885827.db2.gz DLOCGQOHBRSSQY-ZDUSSCGKSA-N -1 3 371.445 2.912 20 30 FFEDHM C#CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837283 607939389 /nfs/dbraw/zinc/93/93/89/607939389.db2.gz AFAUNNWKMLMRIX-KSSFIOAISA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837283 607939390 /nfs/dbraw/zinc/93/93/90/607939390.db2.gz AFAUNNWKMLMRIX-KSSFIOAISA-N -1 3 360.421 2.992 20 30 FFEDHM C[C@H](c1ccc(C#N)cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761983 608070272 /nfs/dbraw/zinc/07/02/72/608070272.db2.gz DRLFFYFLRWQFFW-KUHUBIRLSA-N -1 3 360.421 2.873 20 30 FFEDHM COc1ccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1Cl ZINC000826207873 608095413 /nfs/dbraw/zinc/09/54/13/608095413.db2.gz INLMPFWUDNHZDJ-UHFFFAOYSA-N -1 3 373.829 2.670 20 30 FFEDHM COc1ccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1Cl ZINC000826207873 608095414 /nfs/dbraw/zinc/09/54/14/608095414.db2.gz INLMPFWUDNHZDJ-UHFFFAOYSA-N -1 3 373.829 2.670 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824045564 608157071 /nfs/dbraw/zinc/15/70/71/608157071.db2.gz MOVVQKWAJYIPDD-SECBINFHSA-N -1 3 354.320 2.759 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824045564 608157073 /nfs/dbraw/zinc/15/70/73/608157073.db2.gz MOVVQKWAJYIPDD-SECBINFHSA-N -1 3 354.320 2.759 20 30 FFEDHM C=CCc1cc(CNc2nc(C)ccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000823937006 608279619 /nfs/dbraw/zinc/27/96/19/608279619.db2.gz DNLKTAUZPDGKLU-UHFFFAOYSA-N -1 3 366.425 2.928 20 30 FFEDHM C=CCc1cc(CNc2nc(C)ccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000823937006 608279621 /nfs/dbraw/zinc/27/96/21/608279621.db2.gz DNLKTAUZPDGKLU-UHFFFAOYSA-N -1 3 366.425 2.928 20 30 FFEDHM N#CCOc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826382331 608282263 /nfs/dbraw/zinc/28/22/63/608282263.db2.gz YUMDWFBXUZLQPJ-UHFFFAOYSA-N -1 3 361.409 2.655 20 30 FFEDHM N#CCOc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826382331 608282265 /nfs/dbraw/zinc/28/22/65/608282265.db2.gz YUMDWFBXUZLQPJ-UHFFFAOYSA-N -1 3 361.409 2.655 20 30 FFEDHM C#CCCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823838608 608300827 /nfs/dbraw/zinc/30/08/27/608300827.db2.gz RXBYLBVXWSHJJQ-UHFFFAOYSA-N -1 3 356.386 2.567 20 30 FFEDHM C#CCCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823838608 608300829 /nfs/dbraw/zinc/30/08/29/608300829.db2.gz RXBYLBVXWSHJJQ-UHFFFAOYSA-N -1 3 356.386 2.567 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1COc1c(Cl)cc(C#N)cc1OC ZINC000826173125 608323997 /nfs/dbraw/zinc/32/39/97/608323997.db2.gz OCVIKHRQAAZWKQ-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1COc1c(Cl)cc(C#N)cc1OC ZINC000826173125 608323999 /nfs/dbraw/zinc/32/39/99/608323999.db2.gz OCVIKHRQAAZWKQ-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM C[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(C#N)cc1 ZINC000824633856 608461487 /nfs/dbraw/zinc/46/14/87/608461487.db2.gz QVRUHMROUXUQRG-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(C#N)cc1 ZINC000824633856 608461489 /nfs/dbraw/zinc/46/14/89/608461489.db2.gz QVRUHMROUXUQRG-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM Fc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCO2 ZINC000826376082 608537978 /nfs/dbraw/zinc/53/79/78/608537978.db2.gz NYABGCYJBVHRGG-UHFFFAOYSA-N -1 3 359.752 2.653 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953698 609157213 /nfs/dbraw/zinc/15/72/13/609157213.db2.gz MJXXNINEVHAYST-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953698 609157214 /nfs/dbraw/zinc/15/72/14/609157214.db2.gz MJXXNINEVHAYST-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958785 609160930 /nfs/dbraw/zinc/16/09/30/609160930.db2.gz WNJUBWKCFADOAE-UHFFFAOYSA-N -1 3 356.752 2.762 20 30 FFEDHM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958785 609160931 /nfs/dbraw/zinc/16/09/31/609160931.db2.gz WNJUBWKCFADOAE-UHFFFAOYSA-N -1 3 356.752 2.762 20 30 FFEDHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCO1 ZINC000824216186 609386158 /nfs/dbraw/zinc/38/61/58/609386158.db2.gz OUCYCIOYEBXOTF-LRDDRELGSA-N -1 3 354.414 2.518 20 30 FFEDHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCO1 ZINC000824216186 609386161 /nfs/dbraw/zinc/38/61/61/609386161.db2.gz OUCYCIOYEBXOTF-LRDDRELGSA-N -1 3 354.414 2.518 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1CC(CC)(CC)OC1=O ZINC000823914409 609424392 /nfs/dbraw/zinc/42/43/92/609424392.db2.gz IGYKQKHLAYIEHJ-UHFFFAOYSA-N -1 3 370.457 2.823 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1CC(CC)(CC)OC1=O ZINC000823914409 609424394 /nfs/dbraw/zinc/42/43/94/609424394.db2.gz IGYKQKHLAYIEHJ-UHFFFAOYSA-N -1 3 370.457 2.823 20 30 FFEDHM CCOc1ccccc1C=NOCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825653667 609466739 /nfs/dbraw/zinc/46/67/39/609466739.db2.gz HQEZGMWUEQRICE-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM CCOc1ccccc1C=NOCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825653667 609466740 /nfs/dbraw/zinc/46/67/40/609466740.db2.gz HQEZGMWUEQRICE-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM COc1cc(O)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000826181070 609472076 /nfs/dbraw/zinc/47/20/76/609472076.db2.gz JSVYTXBMUOOZGE-UHFFFAOYSA-N -1 3 374.788 2.689 20 30 FFEDHM COc1cc(O)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000826181070 609472078 /nfs/dbraw/zinc/47/20/78/609472078.db2.gz JSVYTXBMUOOZGE-UHFFFAOYSA-N -1 3 374.788 2.689 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000826186865 609481988 /nfs/dbraw/zinc/48/19/88/609481988.db2.gz NEFDTPFFIYZIEF-UHFFFAOYSA-N -1 3 363.425 2.837 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000826186865 609481990 /nfs/dbraw/zinc/48/19/90/609481990.db2.gz NEFDTPFFIYZIEF-UHFFFAOYSA-N -1 3 363.425 2.837 20 30 FFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc(CC#N)cc1 ZINC000826335233 609488475 /nfs/dbraw/zinc/48/84/75/609488475.db2.gz DOCNOBGGGPMCMM-UHFFFAOYSA-N -1 3 356.393 2.548 20 30 FFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc(CC#N)cc1 ZINC000826335233 609488478 /nfs/dbraw/zinc/48/84/78/609488478.db2.gz DOCNOBGGGPMCMM-UHFFFAOYSA-N -1 3 356.393 2.548 20 30 FFEDHM C#Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000823861439 609515810 /nfs/dbraw/zinc/51/58/10/609515810.db2.gz ISQFMVHXUGWNJY-UHFFFAOYSA-N -1 3 369.388 2.594 20 30 FFEDHM C#Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000823861439 609515811 /nfs/dbraw/zinc/51/58/11/609515811.db2.gz ISQFMVHXUGWNJY-UHFFFAOYSA-N -1 3 369.388 2.594 20 30 FFEDHM C=C(C)[C@H](CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)OCC ZINC000823873572 609612604 /nfs/dbraw/zinc/61/26/04/609612604.db2.gz NMQLUWWVCSIZCR-AWEZNQCLSA-N -1 3 350.806 2.935 20 30 FFEDHM C=C(C)[C@H](CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)OCC ZINC000823873572 609612605 /nfs/dbraw/zinc/61/26/05/609612605.db2.gz NMQLUWWVCSIZCR-AWEZNQCLSA-N -1 3 350.806 2.935 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@@H]2CC)ccc1F ZINC000744767326 735376416 /nfs/dbraw/zinc/37/64/16/735376416.db2.gz YZLPBKMRFFGKLT-JSGCOSHPSA-N -1 3 354.447 2.551 20 30 FFEDHM Cc1nc(C)c(CC(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)c(=O)[n-]1 ZINC000076365684 728260503 /nfs/dbraw/zinc/26/05/03/728260503.db2.gz WKMSAXQJBBSUBH-UHFFFAOYSA-N -1 3 358.789 2.656 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C2CCC2)ccc1F ZINC000102876877 728492896 /nfs/dbraw/zinc/49/28/96/728492896.db2.gz GVZPBOVJWCOOAT-INIZCTEOSA-N -1 3 366.458 2.695 20 30 FFEDHM C=CCn1c(Cc2csc(NC(=O)c3cncc(O)c3)n2)n[n-]c1=S ZINC000111558543 728537091 /nfs/dbraw/zinc/53/70/91/728537091.db2.gz SZRLQTWWCCKBJI-UHFFFAOYSA-N -1 3 374.451 2.527 20 30 FFEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc2nncn2c1 ZINC000113653390 728556512 /nfs/dbraw/zinc/55/65/12/728556512.db2.gz IJJMKVIXYCWMJH-ZDUSSCGKSA-N -1 3 374.187 2.997 20 30 FFEDHM C#CC[C@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)C(C)C ZINC000747188985 735542410 /nfs/dbraw/zinc/54/24/10/735542410.db2.gz IHMYHILDAKDDQB-KRWDZBQOSA-N -1 3 367.467 2.807 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CCC[C@@H]2C)ccc1F ZINC000150837384 728743610 /nfs/dbraw/zinc/74/36/10/728743610.db2.gz UAPATFYNSJWKSJ-KGLIPLIRSA-N -1 3 368.474 2.941 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(C)(C)C#N)ccc1F ZINC000180124056 729204305 /nfs/dbraw/zinc/20/43/05/729204305.db2.gz QTQFBRUOQBIJLS-UHFFFAOYSA-N -1 3 356.419 2.609 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2F)ccc1F ZINC000181762404 729257299 /nfs/dbraw/zinc/25/72/99/729257299.db2.gz HZIOQUWQXPWDCG-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCSC2(CCCCC2)C1 ZINC000330167862 729800227 /nfs/dbraw/zinc/80/02/27/729800227.db2.gz ZMSAJLDALGTJIB-UHFFFAOYSA-N -1 3 363.409 2.989 20 30 FFEDHM N#CCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000429452479 729868323 /nfs/dbraw/zinc/86/83/23/729868323.db2.gz YXYDZHNAMPKWEN-UHFFFAOYSA-N -1 3 354.591 2.587 20 30 FFEDHM C#CCn1ccc(CN(CC)C(=O)c2cc([O-])cc(Br)c2)n1 ZINC000861393736 730607588 /nfs/dbraw/zinc/60/75/88/730607588.db2.gz ACVWCAXWGXFGCX-UHFFFAOYSA-N -1 3 362.227 2.647 20 30 FFEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1 ZINC000867226111 731157548 /nfs/dbraw/zinc/15/75/48/731157548.db2.gz LQCIOEASLVNEHG-UHFFFAOYSA-N -1 3 370.887 2.953 20 30 FFEDHM O=C([N-][C@@H](C1CC1)C(F)(F)F)C(=O)Nc1cc(F)c(F)c(F)c1F ZINC000873884178 731977290 /nfs/dbraw/zinc/97/72/90/731977290.db2.gz DQKHAGUKOFWDMF-JTQLQIEISA-N -1 3 358.213 2.639 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC000885838973 733716616 /nfs/dbraw/zinc/71/66/16/733716616.db2.gz ZOOMKQSPKVPTRD-UHFFFAOYSA-N -1 3 365.348 2.695 20 30 FFEDHM N#C[C@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000928219603 738841954 /nfs/dbraw/zinc/84/19/54/738841954.db2.gz AKOZRUPXJOYSGS-SNVBAGLBSA-N -1 3 360.211 2.666 20 30 FFEDHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(Cl)c1 ZINC000737072980 735003458 /nfs/dbraw/zinc/00/34/58/735003458.db2.gz YDQOWUMAUFKPQB-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(Cl)c1 ZINC000737072980 735003461 /nfs/dbraw/zinc/00/34/61/735003461.db2.gz YDQOWUMAUFKPQB-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C2CCCCC2)ccc1F ZINC000741588971 735151421 /nfs/dbraw/zinc/15/14/21/735151421.db2.gz SSMZPNVMCSAJDS-CYBMUJFWSA-N -1 3 368.474 2.989 20 30 FFEDHM O=C(c1cnn2cc(Br)cnc12)N([O-])Cc1ccc(F)cc1 ZINC000900094568 735600929 /nfs/dbraw/zinc/60/09/29/735600929.db2.gz PZTJTFJUHYUPLL-UHFFFAOYSA-N -1 3 365.162 2.663 20 30 FFEDHM CCS(=O)(=O)c1cccc(CC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901372815 735772070 /nfs/dbraw/zinc/77/20/70/735772070.db2.gz NBDMKAVOIDJQPM-UHFFFAOYSA-N -1 3 351.399 2.580 20 30 FFEDHM O=C([C@@H]1CCCCS1(=O)=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379030 735772314 /nfs/dbraw/zinc/77/23/14/735772314.db2.gz OUGOKFDIQDMHJA-LBPRGKRZSA-N -1 3 352.239 2.679 20 30 FFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000903129173 736037657 /nfs/dbraw/zinc/03/76/57/736037657.db2.gz RBPHUTUCLGWCLS-ZDUSSCGKSA-N -1 3 361.236 2.700 20 30 FFEDHM COc1cc(CN=Nc2ccc(C(F)(F)F)nn2)c([N+](=O)[O-])cc1[O-] ZINC000754710268 736190347 /nfs/dbraw/zinc/19/03/47/736190347.db2.gz SJNIZKSNIBHWNV-UHFFFAOYSA-N -1 3 357.248 2.564 20 30 FFEDHM Cc1cc(NC(=O)[C@H](C)SCC(=O)N([O-])Cc2ccc(F)cc2)no1 ZINC000904173101 736230217 /nfs/dbraw/zinc/23/02/17/736230217.db2.gz NHGALKFLFUHPOP-NSHDSACASA-N -1 3 367.402 2.600 20 30 FFEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cn2cccnc2n1 ZINC000757570251 736410460 /nfs/dbraw/zinc/41/04/60/736410460.db2.gz VEHIQWQZILORCL-UHFFFAOYSA-N -1 3 367.463 2.784 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908753406 736826695 /nfs/dbraw/zinc/82/66/95/736826695.db2.gz UXTMXWFQLQWYAO-CVEARBPZSA-N -1 3 365.861 2.719 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(CC)CC)C(=O)[O-] ZINC000908801630 736834347 /nfs/dbraw/zinc/83/43/47/736834347.db2.gz JXBYCVTWRRSQJE-CABCVRRESA-N -1 3 353.488 2.850 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)CC1 ZINC000908946768 736862380 /nfs/dbraw/zinc/86/23/80/736862380.db2.gz QGZAVTLAVBUYSL-LJQANCHMSA-N -1 3 351.491 2.750 20 30 FFEDHM CCCC[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000763534423 736945826 /nfs/dbraw/zinc/94/58/26/736945826.db2.gz BSVGZAXRGKCABL-STQMWFEESA-N -1 3 352.456 2.626 20 30 FFEDHM C#CCN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CC1 ZINC000768211912 737406933 /nfs/dbraw/zinc/40/69/33/737406933.db2.gz QAQOSYJCWVEBPA-UHFFFAOYSA-N -1 3 350.296 2.665 20 30 FFEDHM COc1cc(C=NNc2ccc(S(C)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000914835971 737596034 /nfs/dbraw/zinc/59/60/34/737596034.db2.gz SZTJHJZQGAVGQF-UHFFFAOYSA-N -1 3 354.815 2.904 20 30 FFEDHM COc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)cc1OC(F)F ZINC000915113364 737608433 /nfs/dbraw/zinc/60/84/33/737608433.db2.gz VFZCFFRHACIKJS-ZBKNUEDVSA-N -1 3 352.337 2.817 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCC#Cc2ccc(F)cc2)ccc1F ZINC000771347030 737716850 /nfs/dbraw/zinc/71/68/50/737716850.db2.gz DGPUYKVYZRGMAT-UHFFFAOYSA-N -1 3 365.357 2.545 20 30 FFEDHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000920555756 737914555 /nfs/dbraw/zinc/91/45/55/737914555.db2.gz YDCSPZLNCFHPSB-SFHVURJKSA-N -1 3 356.447 2.997 20 30 FFEDHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)Cc1ccc(C#N)cc1 ZINC000921447459 737985800 /nfs/dbraw/zinc/98/58/00/737985800.db2.gz JGKWZKJKHNENJS-QHCPKHFHSA-N -1 3 371.528 2.610 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776014156 738152025 /nfs/dbraw/zinc/15/20/25/738152025.db2.gz HNUWXQHCSBQIRI-QWHCGFSZSA-N -1 3 373.906 2.653 20 30 FFEDHM C=CCSc1ccccc1NC(=O)CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931321179 739244809 /nfs/dbraw/zinc/24/48/09/739244809.db2.gz PLDSDVRQFHLYMB-UHFFFAOYSA-N -1 3 356.451 2.723 20 30 FFEDHM CSc1c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cnn1C ZINC000791771542 739601183 /nfs/dbraw/zinc/60/11/83/739601183.db2.gz NZXPRHATYRTMDB-VIFPVBQESA-N -1 3 366.805 2.896 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000798472053 740335495 /nfs/dbraw/zinc/33/54/95/740335495.db2.gz FNIWYRKYUDAVAG-LLVKDONJSA-N -1 3 350.318 2.550 20 30 FFEDHM C#CCC1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCCC1 ZINC000799020264 740381894 /nfs/dbraw/zinc/38/18/94/740381894.db2.gz HBWFKQPRUYZJCB-UHFFFAOYSA-N -1 3 358.404 2.877 20 30 FFEDHM CCCCCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799407902 740416864 /nfs/dbraw/zinc/41/68/64/740416864.db2.gz GBCQTKIKJRJEQD-UHFFFAOYSA-N -1 3 362.442 2.720 20 30 FFEDHM N#Cc1ccc(Br)c(COC(=O)c2cccc3nn[n-]c32)c1 ZINC000800207447 740500927 /nfs/dbraw/zinc/50/09/27/740500927.db2.gz YTDNRNOPDRCAMA-UHFFFAOYSA-N -1 3 357.167 2.949 20 30 FFEDHM N#Cc1ccc(Br)c(COC(=O)c2cccc3[n-]nnc32)c1 ZINC000800207447 740500930 /nfs/dbraw/zinc/50/09/30/740500930.db2.gz YTDNRNOPDRCAMA-UHFFFAOYSA-N -1 3 357.167 2.949 20 30 FFEDHM N#Cc1ccc(Br)c(COC(=O)c2cccc3n[n-]nc32)c1 ZINC000800207447 740500935 /nfs/dbraw/zinc/50/09/35/740500935.db2.gz YTDNRNOPDRCAMA-UHFFFAOYSA-N -1 3 357.167 2.949 20 30 FFEDHM N#CCCN(CCC#N)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394360 741514985 /nfs/dbraw/zinc/51/49/85/741514985.db2.gz BLYGBXIEBDGEMA-UHFFFAOYSA-N -1 3 364.814 2.696 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCC#CC2CCCCC2)ccc1F ZINC000814093902 741792520 /nfs/dbraw/zinc/79/25/20/741792520.db2.gz RPPZUFJEIAVCCA-UHFFFAOYSA-N -1 3 353.415 2.938 20 30 FFEDHM COC(=O)c1cc(C(=O)OCc2ccc(C#N)cc2Br)c[n-]1 ZINC000814530487 741839823 /nfs/dbraw/zinc/83/98/23/741839823.db2.gz AFNGABDWCFNLPR-UHFFFAOYSA-N -1 3 363.167 2.792 20 30 FFEDHM CC1(C)CC(=N[N-]S(=O)(=O)Cc2ccccc2)c2cc(O)ccc2O1 ZINC000814816033 741867330 /nfs/dbraw/zinc/86/73/30/741867330.db2.gz IBWPAUWYGPROLB-UHFFFAOYSA-N -1 3 360.435 2.777 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000816753820 742059021 /nfs/dbraw/zinc/05/90/21/742059021.db2.gz PWOUWATUSPTNTO-SSDOTTSWSA-N -1 3 357.844 2.635 20 30 FFEDHM CCCOc1c(Cl)cc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1OCC ZINC000816756350 742059050 /nfs/dbraw/zinc/05/90/50/742059050.db2.gz VTVLOQBCIFMYCP-CYBMUJFWSA-N -1 3 370.833 2.638 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000820476794 742509739 /nfs/dbraw/zinc/50/97/39/742509739.db2.gz QAZJKYPICJNNIJ-OAHLLOKOSA-N -1 3 359.813 2.876 20 30 FFEDHM N#CC(C(=O)C=C[C@@H]1CCOC1)=C([O-])c1sccc1Br ZINC000845844639 748336261 /nfs/dbraw/zinc/33/62/61/748336261.db2.gz JTUPOKSZAJUYRH-UFLMBTITSA-N -1 3 354.225 2.995 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000846544442 748499785 /nfs/dbraw/zinc/49/97/85/748499785.db2.gz GXSYOPIDYIRZDL-GIPWTMENSA-N -1 3 360.273 2.959 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1cccc(I)c1 ZINC000846555860 748501334 /nfs/dbraw/zinc/50/13/34/748501334.db2.gz VARGTQPWXDBEEG-SNVBAGLBSA-N -1 3 361.179 2.682 20 30 FFEDHM C=CCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000847183957 748638323 /nfs/dbraw/zinc/63/83/23/748638323.db2.gz GNQYMZCNSULQLZ-UHFFFAOYSA-N -1 3 354.447 2.743 20 30 FFEDHM [O-]c1cc(Br)ccc1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000853281162 750042765 /nfs/dbraw/zinc/04/27/65/750042765.db2.gz PBGJVYZLYYLCDG-NSHDSACASA-N -1 3 369.244 2.769 20 30 FFEDHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735942865 944726996 /nfs/dbraw/zinc/72/69/96/944726996.db2.gz NMRVRYGPHMZURT-UHFFFAOYSA-N -1 3 370.804 2.501 20 30 FFEDHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735942865 944727001 /nfs/dbraw/zinc/72/70/01/944727001.db2.gz NMRVRYGPHMZURT-UHFFFAOYSA-N -1 3 370.804 2.501 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820536504 945478614 /nfs/dbraw/zinc/47/86/14/945478614.db2.gz VFSYUSZJYSYSBU-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820536504 945478616 /nfs/dbraw/zinc/47/86/16/945478616.db2.gz VFSYUSZJYSYSBU-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C#CCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823846146 946491891 /nfs/dbraw/zinc/49/18/91/946491891.db2.gz ZTXIVUBMTXDZJO-AWEZNQCLSA-N -1 3 360.421 2.917 20 30 FFEDHM C#CCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823846146 946491900 /nfs/dbraw/zinc/49/19/00/946491900.db2.gz ZTXIVUBMTXDZJO-AWEZNQCLSA-N -1 3 360.421 2.917 20 30 FFEDHM C=CC[C@@H](C)NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823888718 946501226 /nfs/dbraw/zinc/50/12/26/946501226.db2.gz UQSOLSQFVKIHDP-SNVBAGLBSA-N -1 3 372.820 2.792 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001573294787 946999919 /nfs/dbraw/zinc/99/99/19/946999919.db2.gz KWNBCVRUSCAGHK-ROUUACIJSA-N -1 3 369.469 2.833 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001573294787 946999923 /nfs/dbraw/zinc/99/99/23/946999923.db2.gz KWNBCVRUSCAGHK-ROUUACIJSA-N -1 3 369.469 2.833 20 30 FFEDHM C=CC(C)(C)C(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573305499 947154454 /nfs/dbraw/zinc/15/44/54/947154454.db2.gz RBJSGJZIDLSALR-CYBMUJFWSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC(C)(C)C(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573305499 947154461 /nfs/dbraw/zinc/15/44/61/947154461.db2.gz RBJSGJZIDLSALR-CYBMUJFWSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573306235 947170340 /nfs/dbraw/zinc/17/03/40/947170340.db2.gz ZEQRMQRYFCIPTI-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573306235 947170345 /nfs/dbraw/zinc/17/03/45/947170345.db2.gz ZEQRMQRYFCIPTI-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573306432 947171412 /nfs/dbraw/zinc/17/14/12/947171412.db2.gz KMYRNJPTNNADQB-LIRRHRJNSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573306432 947171416 /nfs/dbraw/zinc/17/14/16/947171416.db2.gz KMYRNJPTNNADQB-LIRRHRJNSA-N -1 3 369.473 2.575 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1OC ZINC000826179920 947555788 /nfs/dbraw/zinc/55/57/88/947555788.db2.gz KWICASBCAALXAG-BQYQJAHWSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1OC ZINC000826179920 947555790 /nfs/dbraw/zinc/55/57/90/947555790.db2.gz KWICASBCAALXAG-BQYQJAHWSA-N -1 3 354.341 2.919 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436650233 948518527 /nfs/dbraw/zinc/51/85/27/948518527.db2.gz VUXITLCCBAGPRZ-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436650233 948518532 /nfs/dbraw/zinc/51/85/32/948518532.db2.gz VUXITLCCBAGPRZ-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001573761435 948842388 /nfs/dbraw/zinc/84/23/88/948842388.db2.gz IUHFKINTUYBZGV-UHFFFAOYSA-N -1 3 364.384 2.737 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001573761435 948842400 /nfs/dbraw/zinc/84/24/00/948842400.db2.gz IUHFKINTUYBZGV-UHFFFAOYSA-N -1 3 364.384 2.737 20 30 FFEDHM C[C@@H](CC#N)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001574472484 949554200 /nfs/dbraw/zinc/55/42/00/949554200.db2.gz VLECHIIECSGUQU-NSHDSACASA-N -1 3 352.423 2.761 20 30 FFEDHM C=CCN1CC2(CCC1=O)CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)CC2 ZINC001275902882 1013169527 /nfs/dbraw/zinc/16/95/27/1013169527.db2.gz MQZPOBVOBWOGEH-UHFFFAOYSA-N -1 3 359.470 2.720 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000120471233 959604666 /nfs/dbraw/zinc/60/46/66/959604666.db2.gz DYHXKAHQWYBBGX-ZDUSSCGKSA-N -1 3 365.780 2.882 20 30 FFEDHM C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000893770677 977547679 /nfs/dbraw/zinc/54/76/79/977547679.db2.gz WQRNKCSPGIJTOB-IAGOWNOFSA-N -1 3 367.453 2.768 20 30 FFEDHM CC(C)(C)OC(=O)NCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000760358970 982375820 /nfs/dbraw/zinc/37/58/20/982375820.db2.gz RJHGWRLWQLBZSV-OAHLLOKOSA-N -1 3 352.394 2.991 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](OC(=O)c3cc(-c4ccco4)[n-]n3)C2=O)cc1 ZINC000913302231 984235971 /nfs/dbraw/zinc/23/59/71/984235971.db2.gz RXSCGILSISAJGZ-KRWDZBQOSA-N -1 3 362.345 2.504 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](OC(=O)c3cc(-c4ccco4)n[n-]3)C2=O)cc1 ZINC000913302231 984235978 /nfs/dbraw/zinc/23/59/78/984235978.db2.gz RXSCGILSISAJGZ-KRWDZBQOSA-N -1 3 362.345 2.504 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C)c([N+](=O)[O-])c1 ZINC000129838613 984771439 /nfs/dbraw/zinc/77/14/39/984771439.db2.gz QVDOUWQIQMRRPW-ZDUSSCGKSA-N -1 3 353.334 2.873 20 30 FFEDHM C#CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000032504204 986389278 /nfs/dbraw/zinc/38/92/78/986389278.db2.gz DMSGHIVBVRTADC-UHFFFAOYSA-N -1 3 372.446 2.558 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2c(Cl)nc3ccccn32)cc1 ZINC000131755299 987193672 /nfs/dbraw/zinc/19/36/72/987193672.db2.gz RBRIJBXXOUURDG-CYBMUJFWSA-N -1 3 368.780 2.957 20 30 FFEDHM CCc1csc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)cn2)n1 ZINC000762636236 988542498 /nfs/dbraw/zinc/54/24/98/988542498.db2.gz NYKOXQCSYUALMU-HNNXBMFYSA-N -1 3 365.418 2.852 20 30 FFEDHM COc1cc(C(=O)/C=C/c2ccccc2-n2cncn2)c(OC)cc1[O-] ZINC000763106894 989040339 /nfs/dbraw/zinc/04/03/39/989040339.db2.gz RVDIGPLKPRHFJP-BQYQJAHWSA-N -1 3 351.362 2.886 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2[O-])cc1 ZINC001004871330 989386152 /nfs/dbraw/zinc/38/61/52/989386152.db2.gz QRFLJSLVWJFXRF-QRQLOZEOSA-N -1 3 360.413 2.549 20 30 FFEDHM COc1cccc([C@]2(C)NC(=O)N(N=Cc3cc(Cl)ccc3[O-])C2=O)c1 ZINC000916350314 989778709 /nfs/dbraw/zinc/77/87/09/989778709.db2.gz XIEATFCIKKFPAB-SFHVURJKSA-N -1 3 373.796 2.855 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cn(-c2ccc(Cl)cc2)nn1 ZINC000916900653 990016318 /nfs/dbraw/zinc/01/63/18/990016318.db2.gz UJYJFXBVOROVRQ-HNNXBMFYSA-N -1 3 365.780 2.882 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000916925228 990029792 /nfs/dbraw/zinc/02/97/92/990029792.db2.gz HMWZLRLAOJLNKV-GFCCVEGCSA-N -1 3 368.349 2.537 20 30 FFEDHM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000126504982 990060624 /nfs/dbraw/zinc/06/06/24/990060624.db2.gz UVTNRCATPMYJLE-UHFFFAOYSA-N -1 3 372.446 2.558 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)n[n-]2)o1 ZINC000919328183 990616130 /nfs/dbraw/zinc/61/61/30/990616130.db2.gz NWESNGWEGFKICT-UHFFFAOYSA-N -1 3 350.334 2.645 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)[n-]n2)o1 ZINC000919328183 990616133 /nfs/dbraw/zinc/61/61/33/990616133.db2.gz NWESNGWEGFKICT-UHFFFAOYSA-N -1 3 350.334 2.645 20 30 FFEDHM C=C(C)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccccc2[O-])C1 ZINC001079126788 991782308 /nfs/dbraw/zinc/78/23/08/991782308.db2.gz AXIYBPNEYTZFNY-TZIWHRDSSA-N -1 3 366.461 2.656 20 30 FFEDHM COc1ccc2c(COC(=O)c3cc([O-])cc(C#N)c3)cc(=O)oc2c1 ZINC000811184900 995050877 /nfs/dbraw/zinc/05/08/77/995050877.db2.gz VFTQKLFKGABKOJ-UHFFFAOYSA-N -1 3 351.314 2.736 20 30 FFEDHM CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811187897 995053482 /nfs/dbraw/zinc/05/34/82/995053482.db2.gz OSQRUTHAUOGFQX-UHFFFAOYSA-N -1 3 366.373 2.898 20 30 FFEDHM CC(C)(C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(C#N)cc1 ZINC000825305410 997305857 /nfs/dbraw/zinc/30/58/57/997305857.db2.gz ZYSGTRSLVQUXCN-UHFFFAOYSA-N -1 3 350.422 2.915 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2ccc(NCCNc3ccc(C#N)cn3)nc2)n1 ZINC000731663476 998129378 /nfs/dbraw/zinc/12/93/78/998129378.db2.gz SSAXEKKAWCVJBA-UHFFFAOYSA-N -1 3 361.409 2.597 20 30 FFEDHM CN(CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C(=O)c1cccs1 ZINC000845839495 998671784 /nfs/dbraw/zinc/67/17/84/998671784.db2.gz HVYVGHPAGHGQCA-HNNXBMFYSA-N -1 3 366.442 2.830 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(C)cs2)ccc1F ZINC001273298176 999120258 /nfs/dbraw/zinc/12/02/58/999120258.db2.gz LCCLLBNTOKZBLU-UHFFFAOYSA-N -1 3 368.455 2.590 20 30 FFEDHM N#Cc1cccc(-c2nnc(CO[N-]C(=O)CCOc3ccccc3)o2)c1 ZINC000742360060 999770090 /nfs/dbraw/zinc/77/00/90/999770090.db2.gz WHSYANCXRVXVLL-UHFFFAOYSA-N -1 3 364.361 2.625 20 30 FFEDHM C#C[C@@H](C)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000769658650 1000570500 /nfs/dbraw/zinc/57/05/00/1000570500.db2.gz ORTPYUZOPGJJNU-DNVCBOLYSA-N -1 3 350.418 2.734 20 30 FFEDHM C#CCOc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769810207 1000608833 /nfs/dbraw/zinc/60/88/33/1000608833.db2.gz MCZSMPLKQSVIRA-UHFFFAOYSA-N -1 3 364.409 2.745 20 30 FFEDHM CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc([O-])cc1F ZINC000769813359 1000610118 /nfs/dbraw/zinc/61/01/18/1000610118.db2.gz ULXMZIIMESWGBO-UHFFFAOYSA-N -1 3 358.377 2.968 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109677292 1000820726 /nfs/dbraw/zinc/82/07/26/1000820726.db2.gz ORWOPWVNZFWGIX-MXTNKPTQSA-N -1 3 370.497 2.883 20 30 FFEDHM C#CCn1ccc(CN(CC)Cc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC000789329114 1002048165 /nfs/dbraw/zinc/04/81/65/1002048165.db2.gz JNYLHQIAJAGHOH-UHFFFAOYSA-N -1 3 361.405 2.933 20 30 FFEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)C1(c2ccccc2C#N)CC1 ZINC001183295493 1002225463 /nfs/dbraw/zinc/22/54/63/1002225463.db2.gz RZHRMVHSAOEDPP-UHFFFAOYSA-N -1 3 354.337 2.860 20 30 FFEDHM Cc1noc([N-]C(=O)C(=O)c2c[nH]c3ccc(Br)cc23)c1C#N ZINC001184481934 1002631222 /nfs/dbraw/zinc/63/12/22/1002631222.db2.gz ZABWNZZPVJFMGP-UHFFFAOYSA-N -1 3 373.166 2.920 20 30 FFEDHM CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OC(C)(C)C ZINC000791302185 1002639225 /nfs/dbraw/zinc/63/92/25/1002639225.db2.gz OFUFGQLNGJRJAG-HNNXBMFYSA-N -1 3 362.426 2.872 20 30 FFEDHM COc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C#N ZINC000747008754 1002684146 /nfs/dbraw/zinc/68/41/46/1002684146.db2.gz VGHYKAJTZBPANP-UHFFFAOYSA-N -1 3 365.389 2.832 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Nc2c(C)noc2C)c(C)c1[O-] ZINC001185183342 1002846851 /nfs/dbraw/zinc/84/68/51/1002846851.db2.gz NCQOERJLYOAKJE-UHFFFAOYSA-N -1 3 358.354 2.998 20 30 FFEDHM C=CC[C@@]1(C(=O)NCc2ncccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000792611113 1003099845 /nfs/dbraw/zinc/09/98/45/1003099845.db2.gz WORLZVUJTGSONW-IBGZPJMESA-N -1 3 361.442 2.749 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)cc1 ZINC000793122490 1003277769 /nfs/dbraw/zinc/27/77/69/1003277769.db2.gz CHKGWBVPWXLRKW-MRXNPFEDSA-N -1 3 364.405 2.789 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OC(C)(C)C ZINC001191701699 1003933950 /nfs/dbraw/zinc/93/39/50/1003933950.db2.gz BGOBGGMMFKPPAC-INIZCTEOSA-N -1 3 366.483 2.715 20 30 FFEDHM Cn1c([N-]C(=O)c2cc(-c3cccc(C#N)c3)on2)nnc1C(F)(F)F ZINC001196759280 1003937068 /nfs/dbraw/zinc/93/70/68/1003937068.db2.gz IVSZDIHSTQJVDT-UHFFFAOYSA-N -1 3 362.271 2.613 20 30 FFEDHM Cc1ccc(C(=O)Nc2cncc([O-])c2)cc1C#Cc1cnc2cccnn12 ZINC001197911208 1004421380 /nfs/dbraw/zinc/42/13/80/1004421380.db2.gz MGVQMTGVYRMMEM-UHFFFAOYSA-N -1 3 369.384 2.790 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)OC ZINC001193580249 1004517473 /nfs/dbraw/zinc/51/74/73/1004517473.db2.gz CITHEYRMDRZHFG-JTQLQIEISA-N -1 3 374.871 2.736 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)c2ccccc2N)ccc1N1CCCCC1 ZINC001193930239 1004607502 /nfs/dbraw/zinc/60/75/02/1004607502.db2.gz ZTYNHZLFGDNLNB-UHFFFAOYSA-N -1 3 356.451 2.932 20 30 FFEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1nccn1CC1CC1 ZINC001199450993 1004937231 /nfs/dbraw/zinc/93/72/31/1004937231.db2.gz ZMGGSNVSXYMWGP-UHFFFAOYSA-N -1 3 368.315 2.758 20 30 FFEDHM N#Cc1cc(NS(=O)(=O)c2ccc([O-])cc2)c(Br)cc1F ZINC001195803059 1005047259 /nfs/dbraw/zinc/04/72/59/1005047259.db2.gz VXJSJINOKSMVSS-UHFFFAOYSA-N -1 3 371.187 2.966 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CCCCO2)CC1 ZINC000882429277 1006394471 /nfs/dbraw/zinc/39/44/71/1006394471.db2.gz IRIORPWOCDCDPR-UHFFFAOYSA-N -1 3 357.454 2.770 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)o1 ZINC001188264558 1006492579 /nfs/dbraw/zinc/49/25/79/1006492579.db2.gz XEPREVADOGIOFG-UHFFFAOYSA-N -1 3 365.720 2.697 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc(C(F)(F)F)c(C#N)c1 ZINC000815907711 1006820254 /nfs/dbraw/zinc/82/02/54/1006820254.db2.gz IEWUKQNGNUOMMY-ZDUSSCGKSA-N -1 3 358.279 2.933 20 30 FFEDHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190616475 1007702925 /nfs/dbraw/zinc/70/29/25/1007702925.db2.gz RTLLLNCXKNADTA-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(CC#N)CCCC1 ZINC001190608048 1007719692 /nfs/dbraw/zinc/71/96/92/1007719692.db2.gz ISUQFWIUOMFFKE-UHFFFAOYSA-N -1 3 356.831 2.631 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c1 ZINC001190664870 1007723259 /nfs/dbraw/zinc/72/32/59/1007723259.db2.gz ISYRHTQDHAXKGM-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c1 ZINC001190676789 1007745198 /nfs/dbraw/zinc/74/51/98/1007745198.db2.gz DINCOZPGEHRGLY-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001190681115 1007746100 /nfs/dbraw/zinc/74/61/00/1007746100.db2.gz HZDGQCWJJPOFGJ-AWEZNQCLSA-N -1 3 350.802 2.796 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(CC3CC3)CCOCC2)c1 ZINC001190677633 1007746274 /nfs/dbraw/zinc/74/62/74/1007746274.db2.gz QATUVPOOVFHPCZ-UHFFFAOYSA-N -1 3 352.431 2.573 20 30 FFEDHM COC(=O)c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000857653447 1008182753 /nfs/dbraw/zinc/18/27/53/1008182753.db2.gz KCLFFYQJJQOUSG-UHFFFAOYSA-N -1 3 368.389 2.909 20 30 FFEDHM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCN([O-])C2=O)c1 ZINC000820185264 1008301758 /nfs/dbraw/zinc/30/17/58/1008301758.db2.gz LKZKALNAAKVVKN-HNNXBMFYSA-N -1 3 371.780 2.724 20 30 FFEDHM C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1nc(C(F)(F)F)n[n-]1 ZINC001179182971 1009272806 /nfs/dbraw/zinc/27/28/06/1009272806.db2.gz NQQFULXRLQBZQK-SECBINFHSA-N -1 3 362.315 2.793 20 30 FFEDHM C=CCN1CC[C@]2(CCCN2C(=O)c2ccc([O-])cc2C(F)(F)F)C1=O ZINC001274204515 1009598165 /nfs/dbraw/zinc/59/81/65/1009598165.db2.gz ZUZOMUXTNWDUMP-QGZVFWFLSA-N -1 3 368.355 2.804 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1c(C)cc(O)cc1[O-] ZINC001274217887 1009624455 /nfs/dbraw/zinc/62/44/55/1009624455.db2.gz KCPCHZBVFKHZAT-FQEVSTJZSA-N -1 3 358.438 2.580 20 30 FFEDHM COC(=O)c1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1C ZINC000870163126 1012226285 /nfs/dbraw/zinc/22/62/85/1012226285.db2.gz UIGPYUIYLFYXER-HNNXBMFYSA-N -1 3 352.394 2.590 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001275350561 1012344485 /nfs/dbraw/zinc/34/44/85/1012344485.db2.gz BSKYDTZUHWACES-CQSZACIVSA-N -1 3 350.409 2.965 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110933812 1018707769 /nfs/dbraw/zinc/70/77/69/1018707769.db2.gz RQLWTECHJAQYCJ-LIRZEXBASA-N -1 3 370.497 2.883 20 30 FFEDHM O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N([O-])Cc1ccc(F)cc1 ZINC000901374465 1019015913 /nfs/dbraw/zinc/01/59/13/1019015913.db2.gz JLERPPGNPSFDPE-UHFFFAOYSA-N -1 3 356.313 2.951 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC2(CCCC2)OC[C@H]1C ZINC001122479218 1023294634 /nfs/dbraw/zinc/29/46/34/1023294634.db2.gz QUYKUUNMMBKQHW-CQSZACIVSA-N -1 3 370.457 2.555 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1cccc(C)n1 ZINC001122483432 1023298139 /nfs/dbraw/zinc/29/81/39/1023298139.db2.gz WITAPEJMEGXYHL-UHFFFAOYSA-N -1 3 365.441 2.665 20 30 FFEDHM N#CC(=C([O-])c1cncc(OCC(F)F)c1)c1nnc2n1CCCCC2 ZINC001122499903 1023305869 /nfs/dbraw/zinc/30/58/69/1023305869.db2.gz OBJDTEHPHQPEDB-CYBMUJFWSA-N -1 3 361.352 2.533 20 30 FFEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2c[n-]oc2=O)n1C[C@H]1CCOC1 ZINC001123162004 1023663662 /nfs/dbraw/zinc/66/36/62/1023663662.db2.gz VUFMDBFQNCTSND-ZIAGYGMSSA-N -1 3 359.430 2.610 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001121652685 1023905329 /nfs/dbraw/zinc/90/53/29/1023905329.db2.gz YGAGWYYAFFUSFY-INIZCTEOSA-N -1 3 367.409 2.711 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2ccnc(F)c2OC)c(C#N)c1C ZINC001124147113 1024304896 /nfs/dbraw/zinc/30/48/96/1024304896.db2.gz IAMZYEKZAKIVKG-UHFFFAOYSA-N -1 3 363.370 2.900 20 30 FFEDHM Cc1oc(C(=O)[N-]c2sc3c(c2C#N)CCC3)cc1S(C)(=O)=O ZINC001124214415 1024311194 /nfs/dbraw/zinc/31/11/94/1024311194.db2.gz RKMMKPJERKGAHP-UHFFFAOYSA-N -1 3 350.421 2.666 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cnc(Cl)nc1Oc1ccc(F)cc1 ZINC001160176761 1027624547 /nfs/dbraw/zinc/62/45/47/1027624547.db2.gz ZYUMMAJZFBZATA-UFBFGSQYSA-N -1 3 352.753 2.709 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncnc2cc(OCc3ccccc3)ccc21 ZINC001160178038 1027626647 /nfs/dbraw/zinc/62/66/47/1027626647.db2.gz AXMCHZIRFUBODB-UGSOOPFHSA-N -1 3 364.405 2.857 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC001161827146 1028326977 /nfs/dbraw/zinc/32/69/77/1028326977.db2.gz VXGGBWKTHZTOGH-HXUWFJFHSA-N -1 3 373.453 2.784 20 30 FFEDHM CC(=O)Nc1ccc([C@H](C)NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)cc1 ZINC001154560741 1028357140 /nfs/dbraw/zinc/35/71/40/1028357140.db2.gz PBXGJJVCRFCDDR-LBPRGKRZSA-N -1 3 374.400 2.849 20 30 FFEDHM CCOC(=O)c1nccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155908748 1028971737 /nfs/dbraw/zinc/97/17/37/1028971737.db2.gz BBQVSFRYGNEFKV-UHFFFAOYSA-N -1 3 370.287 2.800 20 30 FFEDHM COC(=O)[C@@H](CC(C)(C)C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000782668209 1029781033 /nfs/dbraw/zinc/78/10/33/1029781033.db2.gz MJNVCWSNEHGYFY-OAHLLOKOSA-N -1 3 362.426 2.729 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC3(C[C@H]3CCO)CC2)n1 ZINC001165256488 1029914769 /nfs/dbraw/zinc/91/47/69/1029914769.db2.gz CQBQRVVZJJSKKI-IYPWXLATSA-N -1 3 356.879 2.649 20 30 FFEDHM C=C1CN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)C1 ZINC001166311385 1030358338 /nfs/dbraw/zinc/35/83/38/1030358338.db2.gz AFSKUHMJVNEKLW-UHFFFAOYSA-N -1 3 372.446 2.816 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])[C@@H](C#N)C1 ZINC001203651447 1030803949 /nfs/dbraw/zinc/80/39/49/1030803949.db2.gz ORRZBWTUXCXFDR-AWEZNQCLSA-N -1 3 351.834 2.990 20 30 FFEDHM C=CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)nn1 ZINC000842690492 1030905000 /nfs/dbraw/zinc/90/50/00/1030905000.db2.gz VSWVHPWRJBKRDN-BBRMVZONSA-N -1 3 351.410 2.939 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](O/C(=N\[O-])c2ccccn2)CC1 ZINC001223978587 1033670552 /nfs/dbraw/zinc/67/05/52/1033670552.db2.gz VJZASWKYWAXLSH-AZCQJRNUSA-N -1 3 353.394 2.972 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](COc3cccc(/C=N/[O-])c3)[C@H]2C1 ZINC001226109924 1034531521 /nfs/dbraw/zinc/53/15/21/1034531521.db2.gz LKLXOGIGDFCUBK-IBPDDADPSA-N -1 3 362.426 2.755 20 30 FFEDHM C=CCOC[C@H]1CN(Cc2cc(F)ccc2[O-])Cc2nnn(CC3CC3)c21 ZINC001140054400 1035323554 /nfs/dbraw/zinc/32/35/54/1035323554.db2.gz PIGHTAKCRBBDGR-MRXNPFEDSA-N -1 3 372.444 2.835 20 30 FFEDHM COCCOc1cccc(N2CCN(Cc3cc(C#N)ccc3[O-])CC2)c1 ZINC001232677367 1035937248 /nfs/dbraw/zinc/93/72/48/1035937248.db2.gz BPWUWKDJZPPVJG-UHFFFAOYSA-N -1 3 367.449 2.611 20 30 FFEDHM CCOC(=O)[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1 ZINC000835807651 1036008056 /nfs/dbraw/zinc/00/80/56/1036008056.db2.gz MNRWOTYCNZWARI-SFHVURJKSA-N -1 3 374.437 2.873 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232931687 1036166220 /nfs/dbraw/zinc/16/62/20/1036166220.db2.gz RMDLDDAZCZEERF-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2nc3cc(C)c([N+](=O)[O-])cc3[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228677086 1036249548 /nfs/dbraw/zinc/24/95/48/1036249548.db2.gz NJVDULDNJSSKLZ-ZQDZILKHSA-N -1 3 361.354 2.589 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228677086 1036249558 /nfs/dbraw/zinc/24/95/58/1036249558.db2.gz NJVDULDNJSSKLZ-ZQDZILKHSA-N -1 3 361.354 2.589 20 30 FFEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=S)ncc1CC(=O)OCC ZINC001228708415 1036278915 /nfs/dbraw/zinc/27/89/15/1036278915.db2.gz PVXTXIWNRNUQBF-GFCCVEGCSA-N -1 3 368.455 2.536 20 30 FFEDHM N#Cc1ccc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)c([O-])c1 ZINC001233384718 1036585548 /nfs/dbraw/zinc/58/55/48/1036585548.db2.gz FWWMTZUXZVCCPU-QGZVFWFLSA-N -1 3 352.438 2.519 20 30 FFEDHM CCOC(=O)C[C@@H](CC#N)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497091 1036661658 /nfs/dbraw/zinc/66/16/58/1036661658.db2.gz DZTOEJUSMADNIS-MRVPVSSYSA-N -1 3 352.734 2.739 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc([O-])cc(C#N)c2)[C@H]2OCC[C@@H]21 ZINC001234141662 1036937027 /nfs/dbraw/zinc/93/70/27/1036937027.db2.gz QHBHEOWBZQLKGR-ULQDDVLXSA-N -1 3 360.410 2.810 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118302 1037477676 /nfs/dbraw/zinc/47/76/76/1037477676.db2.gz KXUKWWZJNIIRLG-OAHLLOKOSA-N -1 3 357.414 2.811 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118302 1037477681 /nfs/dbraw/zinc/47/76/81/1037477681.db2.gz KXUKWWZJNIIRLG-OAHLLOKOSA-N -1 3 357.414 2.811 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)cc1OC(F)F ZINC001255800371 1038175460 /nfs/dbraw/zinc/17/54/60/1038175460.db2.gz LHCVGNJIEOMGBA-VIFPVBQESA-N -1 3 371.340 2.733 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)cc1OC ZINC001257089198 1038706467 /nfs/dbraw/zinc/70/64/67/1038706467.db2.gz COHWBKUVDRCNMG-UHFFFAOYSA-N -1 3 354.334 2.654 20 30 FFEDHM C[C@@](C#N)([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC001259358547 1039938005 /nfs/dbraw/zinc/93/80/05/1039938005.db2.gz CSXLMFKMBLBCPP-KRWDZBQOSA-N -1 3 362.838 2.992 20 30 FFEDHM N#Cc1cc(F)cc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248000592 1040095567 /nfs/dbraw/zinc/09/55/67/1040095567.db2.gz UVKLJOGVPGLLIJ-UHFFFAOYSA-N -1 3 353.269 2.908 20 30 FFEDHM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)c1 ZINC001260810849 1040815132 /nfs/dbraw/zinc/81/51/32/1040815132.db2.gz TUTUDVZJTCLKTA-UHFFFAOYSA-N -1 3 351.334 2.596 20 30 FFEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC001260835992 1040839260 /nfs/dbraw/zinc/83/92/60/1040839260.db2.gz IDRDHURTZJVZQV-HNNXBMFYSA-N -1 3 359.875 2.903 20 30 FFEDHM C=CC(C)(C)CCNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001261789498 1041420242 /nfs/dbraw/zinc/42/02/42/1041420242.db2.gz FUVOULWSTZNCDH-UHFFFAOYSA-N -1 3 357.451 2.599 20 30 FFEDHM CC(C)C[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001309521534 1043421035 /nfs/dbraw/zinc/42/10/35/1043421035.db2.gz SVXSKNADPYCNJV-AWEZNQCLSA-N -1 3 371.453 2.625 20 30 FFEDHM C#CCN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC001309843036 1043551039 /nfs/dbraw/zinc/55/10/39/1043551039.db2.gz FRDGNTFZBDBMCB-LBPRGKRZSA-N -1 3 361.294 2.678 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1c(C#N)cnc2ccccc21 ZINC001322474320 1046099422 /nfs/dbraw/zinc/09/94/22/1046099422.db2.gz IBWASPBVZXUJSH-UHFFFAOYSA-N -1 3 370.409 2.651 20 30 FFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)c1 ZINC001332719464 1048527593 /nfs/dbraw/zinc/52/75/93/1048527593.db2.gz YKBHPVVQKUEZQP-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCCC(F)F ZINC001332766489 1048554449 /nfs/dbraw/zinc/55/44/49/1048554449.db2.gz ZQCOAQKNSJVDNZ-UHFFFAOYSA-N -1 3 353.188 2.644 20 30 FFEDHM CCOC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC001292095984 1049115315 /nfs/dbraw/zinc/11/53/15/1049115315.db2.gz CPSRKMFIOVJNRA-QGZVFWFLSA-N -1 3 372.371 2.941 20 30 FFEDHM CC(C)(C)C#CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001292250945 1049214791 /nfs/dbraw/zinc/21/47/91/1049214791.db2.gz IWRJZLDASKIDAS-BTYIYWSLSA-N -1 3 354.450 2.553 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001294355373 1049734615 /nfs/dbraw/zinc/73/46/15/1049734615.db2.gz BDMPOQZBONCKQS-UHFFFAOYSA-N -1 3 370.497 2.940 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(CC)Cc1ccc(OC)cc1 ZINC001340342523 1050738006 /nfs/dbraw/zinc/73/80/06/1050738006.db2.gz KDIKFDVDRRYDEY-UHFFFAOYSA-N -1 3 366.425 2.662 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(C(F)(F)F)CC1 ZINC001342188562 1050781047 /nfs/dbraw/zinc/78/10/47/1050781047.db2.gz OCXSCVDEOYGXRR-UHFFFAOYSA-N -1 3 357.336 2.994 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](OCCC)CC1 ZINC001342383551 1050977398 /nfs/dbraw/zinc/97/73/98/1050977398.db2.gz DMSCLZJVTWHVSC-HNNXBMFYSA-N -1 3 372.473 2.721 20 30 FFEDHM Cc1cnn(C)c1C=Nn1c(-c2ccc(O)cc2[O-])csc1=NC1CC1 ZINC001340934181 1051265999 /nfs/dbraw/zinc/26/59/99/1051265999.db2.gz UPTFSUNBQOIOMC-UHFFFAOYSA-N -1 3 369.450 2.615 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001343287688 1052137189 /nfs/dbraw/zinc/13/71/89/1052137189.db2.gz KYRWGCSHWMEKJH-LLVKDONJSA-N -1 3 364.400 2.949 20 30 FFEDHM CCCCCCN([O-])C(=O)CCNS(=O)(=O)c1cc(C)ccc1C ZINC001306896677 1052214866 /nfs/dbraw/zinc/21/48/66/1052214866.db2.gz IKAFVRNMNYWANF-UHFFFAOYSA-N -1 3 356.488 2.770 20 30 FFEDHM O=C(c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N([O-])Cc1ccccc1Cl ZINC001306893885 1052215393 /nfs/dbraw/zinc/21/53/93/1052215393.db2.gz BDIDEZUGURTESF-HNNXBMFYSA-N -1 3 372.808 2.577 20 30 FFEDHM C=C[C@H](CC(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001348175650 1054723581 /nfs/dbraw/zinc/72/35/81/1054723581.db2.gz GQUKTQZIWMEZFK-WBVHZDCISA-N -1 3 352.438 2.545 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC2(CC2(F)F)CC1 ZINC001352063377 1055165226 /nfs/dbraw/zinc/16/52/26/1055165226.db2.gz RFWDZXAPYUXQLZ-UHFFFAOYSA-N -1 3 362.384 2.561 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2cnc[n-]c2=O)n1C[C@H]1CCCCO1 ZINC001349490124 1055294934 /nfs/dbraw/zinc/29/49/34/1055294934.db2.gz RBNACKGAHDSDSM-OAHLLOKOSA-N -1 3 372.473 2.802 20 30 FFEDHM COc1ccc(CCNC(=S)Nc2ccc([O-])c(C#N)c2)cc1OC ZINC001200079029 1055622548 /nfs/dbraw/zinc/62/25/48/1055622548.db2.gz HCDBPHKFSHLZPF-UHFFFAOYSA-N -1 3 357.435 2.810 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@H]3CCOC[C@@H]3OC)n2C)c1[O-] ZINC001338678186 1055724903 /nfs/dbraw/zinc/72/49/03/1055724903.db2.gz YVFFBROKRLAXLI-IRXDYDNUSA-N -1 3 372.469 2.546 20 30 FFEDHM C=C1CCC(CNC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CC1 ZINC001350975103 1056023263 /nfs/dbraw/zinc/02/32/63/1056023263.db2.gz GRSPVGLZLKHBEV-UHFFFAOYSA-N -1 3 369.462 2.743 20 30 FFEDHM C=CCn1cc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)nn1 ZINC001358207515 1056193443 /nfs/dbraw/zinc/19/34/43/1056193443.db2.gz YKNDHEQHJLNISK-UHFFFAOYSA-N -1 3 354.439 2.894 20 30 FFEDHM C=CCC1(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)CCC1 ZINC001544563559 1071660866 /nfs/dbraw/zinc/66/08/66/1071660866.db2.gz CYFUXKWGQLWISJ-UHFFFAOYSA-N -1 3 357.501 2.905 20 30 FFEDHM COc1cccc(CC2(C(=O)N[C@H]3CCCN([O-])C3=O)CCCCC2)c1 ZINC000848131992 1059097426 /nfs/dbraw/zinc/09/74/26/1059097426.db2.gz GLRXLYVRJQCKEO-KRWDZBQOSA-N -1 3 360.454 2.685 20 30 FFEDHM C[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc(C(=O)c2ccccc2)c1 ZINC000848134590 1059104797 /nfs/dbraw/zinc/10/47/97/1059104797.db2.gz BWXIXSZSRLIYPT-RDTXWAMCSA-N -1 3 366.417 2.518 20 30 FFEDHM N#Cc1cc(F)c(C(=O)[N-]c2c(Cl)ncnc2-n2cccn2)c(F)c1 ZINC001516926782 1060270806 /nfs/dbraw/zinc/27/08/06/1060270806.db2.gz BBEBVDPHNUVKMZ-UHFFFAOYSA-N -1 3 360.711 2.718 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001476141742 1061355166 /nfs/dbraw/zinc/35/51/66/1061355166.db2.gz JDNQAWNZQIVSFR-STQMWFEESA-N -1 3 359.455 2.572 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2nc(-c3ccc(OC)cc3)ns2)nn1 ZINC001359985734 1061868540 /nfs/dbraw/zinc/86/85/40/1061868540.db2.gz VSNTVQCTYAKPMJ-UHFFFAOYSA-N -1 3 356.411 2.634 20 30 FFEDHM CCOC(=O)c1ncc(C(=O)[N-]c2nc3c(cc2C#N)C[C@@H](C)CC3)s1 ZINC001463398637 1062087132 /nfs/dbraw/zinc/08/71/32/1062087132.db2.gz KYXOMKCOIHMJLA-JTQLQIEISA-N -1 3 370.434 2.964 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(=O)OCC ZINC001463724969 1062228023 /nfs/dbraw/zinc/22/80/23/1062228023.db2.gz DKVCDOSVMQHSOC-HNNXBMFYSA-N -1 3 359.875 2.700 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)c3c[n-]c4ccccc4c3=O)CCOCC2)c1 ZINC001529260608 1062241632 /nfs/dbraw/zinc/24/16/32/1062241632.db2.gz UIZZNKOIFRWOJK-UHFFFAOYSA-N -1 3 373.412 2.835 20 30 FFEDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N([O-])CCCCc1ccccc1 ZINC001472620304 1065112550 /nfs/dbraw/zinc/11/25/50/1065112550.db2.gz XCAFZGOCWAFCQN-HDICACEKSA-N -1 3 372.465 2.792 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCc2ccc(Cl)cc2[O-])C1 ZINC001474424758 1065518796 /nfs/dbraw/zinc/51/87/96/1065518796.db2.gz PKQYVLJEKDUPIG-TZMCWYRMSA-N -1 3 351.834 2.894 20 30 FFEDHM CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@H](C)CC#N ZINC001577520610 1078373720 /nfs/dbraw/zinc/37/37/20/1078373720.db2.gz ZYZAZJQCCXITNY-CYBMUJFWSA-N -1 3 365.445 2.664 20 30 FFEDHM CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@H](C)CC#N ZINC001577520610 1078373722 /nfs/dbraw/zinc/37/37/22/1078373722.db2.gz ZYZAZJQCCXITNY-CYBMUJFWSA-N -1 3 365.445 2.664 20 30 FFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(C#N)s1 ZINC001578394846 1078468989 /nfs/dbraw/zinc/46/89/89/1078468989.db2.gz SARJTFHBAXQLGP-UHFFFAOYSA-N -1 3 369.410 2.520 20 30 FFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(C#N)s1 ZINC001578394846 1078468992 /nfs/dbraw/zinc/46/89/92/1078468992.db2.gz SARJTFHBAXQLGP-UHFFFAOYSA-N -1 3 369.410 2.520 20 30 FFEDHM CN(c1ccc(-c2nnn[n-]2)c(Br)c1F)[C@H]1CCC[C@H]1C#N ZINC001579266823 1078606057 /nfs/dbraw/zinc/60/60/57/1078606057.db2.gz ZJLXESMCYWWIAM-WPRPVWTQSA-N -1 3 365.210 2.897 20 30 FFEDHM CN(c1ccc(-c2nn[n-]n2)c(Br)c1F)[C@H]1CCC[C@H]1C#N ZINC001579266823 1078606059 /nfs/dbraw/zinc/60/60/59/1078606059.db2.gz ZJLXESMCYWWIAM-WPRPVWTQSA-N -1 3 365.210 2.897 20 30 FFEDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2ncccc12 ZINC001581174173 1078930195 /nfs/dbraw/zinc/93/01/95/1078930195.db2.gz IIGYYYIPWUGRKM-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2ncccc12 ZINC001581174173 1078930205 /nfs/dbraw/zinc/93/02/05/1078930205.db2.gz IIGYYYIPWUGRKM-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM N#CC1(CC(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cn3)c2)CC1 ZINC001581856937 1079009583 /nfs/dbraw/zinc/00/95/83/1079009583.db2.gz JZBJWUOCJBXEEC-UHFFFAOYSA-N -1 3 361.365 2.686 20 30 FFEDHM N#CC1(CC(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cn3)c2)CC1 ZINC001581856937 1079009594 /nfs/dbraw/zinc/00/95/94/1079009594.db2.gz JZBJWUOCJBXEEC-UHFFFAOYSA-N -1 3 361.365 2.686 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(F)c3cccnc23)ccc1-c1nnn[n-]1 ZINC001581866748 1079010181 /nfs/dbraw/zinc/01/01/81/1079010181.db2.gz SRIYUYAOZSRRIH-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(F)c3cccnc23)ccc1-c1nn[n-]n1 ZINC001581866748 1079010189 /nfs/dbraw/zinc/01/01/89/1079010189.db2.gz SRIYUYAOZSRRIH-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)N[C@H]3CCN([O-])C3=O)c3ccccc3n2)o1 ZINC001556749836 1075771651 /nfs/dbraw/zinc/77/16/51/1075771651.db2.gz RIERAVSXYFNWOL-HNNXBMFYSA-N -1 3 351.362 2.523 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCC)C2CCC2)ccc1F ZINC001556980739 1075794847 /nfs/dbraw/zinc/79/48/47/1075794847.db2.gz NNXIYRCBYJDAIB-MRXNPFEDSA-N -1 3 368.474 2.989 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccns1 ZINC001561806506 1076426404 /nfs/dbraw/zinc/42/64/04/1076426404.db2.gz XDNAYGPZRBLYNS-QMMMGPOBSA-N -1 3 372.269 2.817 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@H]2F)c(Cl)c1 ZINC001561913567 1076443942 /nfs/dbraw/zinc/44/39/42/1076443942.db2.gz YZXCDQAIUDYPSY-CZUORRHYSA-N -1 3 366.801 2.962 20 30 FFEDHM C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC001585919352 1079513882 /nfs/dbraw/zinc/51/38/82/1079513882.db2.gz QOXAUCFUHKDXEX-QGZVFWFLSA-N -1 3 374.437 2.617 20 30 FFEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(Oc3ccc(C#N)cn3)cc1)C2 ZINC001586219116 1079577182 /nfs/dbraw/zinc/57/71/82/1079577182.db2.gz QYOJSNZTOXZVPC-UHFFFAOYSA-N -1 3 373.372 2.706 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001586440161 1079629554 /nfs/dbraw/zinc/62/95/54/1079629554.db2.gz PSYYMFJZGCQLBT-MRXNPFEDSA-N -1 3 364.449 2.704 20 30 FFEDHM C#C[C@@H](CC)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001588326602 1079983817 /nfs/dbraw/zinc/98/38/17/1079983817.db2.gz QFWKXWOEMIWAMF-INIZCTEOSA-N -1 3 360.421 2.745 20 30 FFEDHM C#C[C@@H](CC)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001588326602 1079983821 /nfs/dbraw/zinc/98/38/21/1079983821.db2.gz QFWKXWOEMIWAMF-INIZCTEOSA-N -1 3 360.421 2.745 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C)c1ccc(F)cc1 ZINC001588329950 1079985023 /nfs/dbraw/zinc/98/50/23/1079985023.db2.gz RNNBDZAZWHVACJ-OAHLLOKOSA-N -1 3 368.347 2.949 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C)c1ccc(F)cc1 ZINC001588329950 1079985026 /nfs/dbraw/zinc/98/50/26/1079985026.db2.gz RNNBDZAZWHVACJ-OAHLLOKOSA-N -1 3 368.347 2.949 20 30 FFEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC001588329825 1079985385 /nfs/dbraw/zinc/98/53/85/1079985385.db2.gz OODWBCDALHMMRI-HNNXBMFYSA-N -1 3 355.760 2.764 20 30 FFEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC001588329825 1079985389 /nfs/dbraw/zinc/98/53/89/1079985389.db2.gz OODWBCDALHMMRI-HNNXBMFYSA-N -1 3 355.760 2.764 20 30 FFEDHM C#C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001588329888 1079985467 /nfs/dbraw/zinc/98/54/67/1079985467.db2.gz QANRBWSOVTZAJC-YVEFUNNKSA-N -1 3 364.384 2.741 20 30 FFEDHM C#C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001588329888 1079985473 /nfs/dbraw/zinc/98/54/73/1079985473.db2.gz QANRBWSOVTZAJC-YVEFUNNKSA-N -1 3 364.384 2.741 20 30 FFEDHM C#C[C@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588329519 1079986250 /nfs/dbraw/zinc/98/62/50/1079986250.db2.gz IBTGRRKMSMZPSF-INIZCTEOSA-N -1 3 360.352 2.591 20 30 FFEDHM C#C[C@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588329519 1079986255 /nfs/dbraw/zinc/98/62/55/1079986255.db2.gz IBTGRRKMSMZPSF-INIZCTEOSA-N -1 3 360.352 2.591 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001588335811 1079988826 /nfs/dbraw/zinc/98/88/26/1079988826.db2.gz YRUDVHVQYJSUHK-ZDUSSCGKSA-N -1 3 355.417 2.545 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001588335811 1079988830 /nfs/dbraw/zinc/98/88/30/1079988830.db2.gz YRUDVHVQYJSUHK-ZDUSSCGKSA-N -1 3 355.417 2.545 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C1 ZINC001588337587 1079990347 /nfs/dbraw/zinc/99/03/47/1079990347.db2.gz SSZCRLUISRDPFA-ZDUSSCGKSA-N -1 3 354.414 2.531 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C1 ZINC001588337587 1079990349 /nfs/dbraw/zinc/99/03/49/1079990349.db2.gz SSZCRLUISRDPFA-ZDUSSCGKSA-N -1 3 354.414 2.531 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)C)C2 ZINC001588360098 1079992267 /nfs/dbraw/zinc/99/22/67/1079992267.db2.gz IGMGCULZJJBDOR-NWDGAFQWSA-N -1 3 373.482 2.666 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)C)C2 ZINC001588360098 1079992270 /nfs/dbraw/zinc/99/22/70/1079992270.db2.gz IGMGCULZJJBDOR-NWDGAFQWSA-N -1 3 373.482 2.666 20 30 FFEDHM C#CCOc1cccc(NC(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001588363077 1079994347 /nfs/dbraw/zinc/99/43/47/1079994347.db2.gz JAYIZRPTXHEARS-UHFFFAOYSA-N -1 3 361.405 2.677 20 30 FFEDHM C#CCOc1cccc(NC(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001588363077 1079994352 /nfs/dbraw/zinc/99/43/52/1079994352.db2.gz JAYIZRPTXHEARS-UHFFFAOYSA-N -1 3 361.405 2.677 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC001588365052 1079994915 /nfs/dbraw/zinc/99/49/15/1079994915.db2.gz NGZJVNORCCZUSY-MPGHIAIKSA-N -1 3 367.453 2.578 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC001588365052 1079994921 /nfs/dbraw/zinc/99/49/21/1079994921.db2.gz NGZJVNORCCZUSY-MPGHIAIKSA-N -1 3 367.453 2.578 20 30 FFEDHM C=C(C)C(C)(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001588402263 1080010173 /nfs/dbraw/zinc/01/01/73/1080010173.db2.gz DQBKVFWONLFPBZ-UHFFFAOYSA-N -1 3 355.377 2.732 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001588404115 1080011498 /nfs/dbraw/zinc/01/14/98/1080011498.db2.gz DBUVGQKRCXRLDY-NSHDSACASA-N -1 3 358.402 2.976 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001588404115 1080011506 /nfs/dbraw/zinc/01/15/06/1080011506.db2.gz DBUVGQKRCXRLDY-NSHDSACASA-N -1 3 358.402 2.976 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001588415533 1080019555 /nfs/dbraw/zinc/01/95/55/1080019555.db2.gz NHPGICDPIBPNHQ-OAHLLOKOSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001588415533 1080019565 /nfs/dbraw/zinc/01/95/65/1080019565.db2.gz NHPGICDPIBPNHQ-OAHLLOKOSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(C)(C)C1 ZINC001588430176 1080025022 /nfs/dbraw/zinc/02/50/22/1080025022.db2.gz SEVKUCYXFDXEOU-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(C)(C)C1 ZINC001588430176 1080025032 /nfs/dbraw/zinc/02/50/32/1080025032.db2.gz SEVKUCYXFDXEOU-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001588429260 1080025554 /nfs/dbraw/zinc/02/55/54/1080025554.db2.gz FVMSUQUSXKYHGE-CYBMUJFWSA-N -1 3 367.461 2.512 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N1CC[C@@H](C(C)C)C1 ZINC001588429260 1080025564 /nfs/dbraw/zinc/02/55/64/1080025564.db2.gz FVMSUQUSXKYHGE-CYBMUJFWSA-N -1 3 367.461 2.512 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC001588439992 1080027913 /nfs/dbraw/zinc/02/79/13/1080027913.db2.gz KPEVZCPZNUCPEH-RBUKOAKNSA-N -1 3 371.481 2.537 20 30 FFEDHM C=C1CCC(C(=O)N(CC)CCNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588456863 1080031961 /nfs/dbraw/zinc/03/19/61/1080031961.db2.gz XXQIREZOTVGJFE-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C1CCC(C(=O)N(CC)CCNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588456863 1080031969 /nfs/dbraw/zinc/03/19/69/1080031969.db2.gz XXQIREZOTVGJFE-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CC(C)(C)CCNC(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588488334 1080051625 /nfs/dbraw/zinc/05/16/25/1080051625.db2.gz ZUWXVZKNPVGOFP-MRXNPFEDSA-N -1 3 370.457 2.552 20 30 FFEDHM C=CC(C)(C)CCNC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588488334 1080051638 /nfs/dbraw/zinc/05/16/38/1080051638.db2.gz ZUWXVZKNPVGOFP-MRXNPFEDSA-N -1 3 370.457 2.552 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588489033 1080052648 /nfs/dbraw/zinc/05/26/48/1080052648.db2.gz VDJIWMSFAHQPQZ-HNAYVOBHSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588489033 1080052656 /nfs/dbraw/zinc/05/26/56/1080052656.db2.gz VDJIWMSFAHQPQZ-HNAYVOBHSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588492481 1080053738 /nfs/dbraw/zinc/05/37/38/1080053738.db2.gz RTZHLWMUVJQTFO-SGTLLEGYSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588492481 1080053744 /nfs/dbraw/zinc/05/37/44/1080053744.db2.gz RTZHLWMUVJQTFO-SGTLLEGYSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588491495 1080054482 /nfs/dbraw/zinc/05/44/82/1080054482.db2.gz HGMGBDWDLVDJHM-DNVCBOLYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588491495 1080054486 /nfs/dbraw/zinc/05/44/86/1080054486.db2.gz HGMGBDWDLVDJHM-DNVCBOLYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588494044 1080056157 /nfs/dbraw/zinc/05/61/57/1080056157.db2.gz OJZAPYGRLUIYSE-YJYMSZOUSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588494044 1080056162 /nfs/dbraw/zinc/05/61/62/1080056162.db2.gz OJZAPYGRLUIYSE-YJYMSZOUSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588497226 1080060061 /nfs/dbraw/zinc/06/00/61/1080060061.db2.gz YBOOBLXRIPXVCV-FQEVSTJZSA-N -1 3 369.469 2.802 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588497226 1080060068 /nfs/dbraw/zinc/06/00/68/1080060068.db2.gz YBOOBLXRIPXVCV-FQEVSTJZSA-N -1 3 369.469 2.802 20 30 FFEDHM C=C[C@H](CC(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC001588519288 1080070988 /nfs/dbraw/zinc/07/09/88/1080070988.db2.gz WURMNVVBBGOMPI-OAHLLOKOSA-N -1 3 374.448 2.849 20 30 FFEDHM C=C[C@H](CC(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC001588519288 1080070997 /nfs/dbraw/zinc/07/09/97/1080070997.db2.gz WURMNVVBBGOMPI-OAHLLOKOSA-N -1 3 374.448 2.849 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588521180 1080072419 /nfs/dbraw/zinc/07/24/19/1080072419.db2.gz JDIASLWLVGAMJY-CQSZACIVSA-N -1 3 355.442 2.591 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588521180 1080072428 /nfs/dbraw/zinc/07/24/28/1080072428.db2.gz JDIASLWLVGAMJY-CQSZACIVSA-N -1 3 355.442 2.591 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588521247 1080073549 /nfs/dbraw/zinc/07/35/49/1080073549.db2.gz KBQDBYPUGXJAEO-HUUCEWRRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588521247 1080073561 /nfs/dbraw/zinc/07/35/61/1080073561.db2.gz KBQDBYPUGXJAEO-HUUCEWRRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@H](OC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)(C)C ZINC001588525232 1080077962 /nfs/dbraw/zinc/07/79/62/1080077962.db2.gz DISJOGPILOZJQP-OAHLLOKOSA-N -1 3 352.398 2.810 20 30 FFEDHM C=C[C@@H](OC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)(C)C ZINC001588525232 1080077972 /nfs/dbraw/zinc/07/79/72/1080077972.db2.gz DISJOGPILOZJQP-OAHLLOKOSA-N -1 3 352.398 2.810 20 30 FFEDHM C=C[C@@H](Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)OC ZINC001588526581 1080078079 /nfs/dbraw/zinc/07/80/79/1080078079.db2.gz ZATQLNZQSAAGPA-QGZVFWFLSA-N -1 3 365.393 2.585 20 30 FFEDHM C=C[C@@H](Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)OC ZINC001588526581 1080078091 /nfs/dbraw/zinc/07/80/91/1080078091.db2.gz ZATQLNZQSAAGPA-QGZVFWFLSA-N -1 3 365.393 2.585 20 30 FFEDHM C=C[C@H](OC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)(C)C ZINC001588525230 1080078659 /nfs/dbraw/zinc/07/86/59/1080078659.db2.gz DISJOGPILOZJQP-HNNXBMFYSA-N -1 3 352.398 2.810 20 30 FFEDHM C=C[C@H](OC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)(C)C ZINC001588525230 1080078666 /nfs/dbraw/zinc/07/86/66/1080078666.db2.gz DISJOGPILOZJQP-HNNXBMFYSA-N -1 3 352.398 2.810 20 30 FFEDHM C=C[C@@H](CC)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588525586 1080078869 /nfs/dbraw/zinc/07/88/69/1080078869.db2.gz IVPYMXMFBBZEAW-JTQLQIEISA-N -1 3 363.805 2.604 20 30 FFEDHM C=C[C@@H](CC)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588525586 1080078877 /nfs/dbraw/zinc/07/88/77/1080078877.db2.gz IVPYMXMFBBZEAW-JTQLQIEISA-N -1 3 363.805 2.604 20 30 FFEDHM C=CC1(CC(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001588527531 1080078940 /nfs/dbraw/zinc/07/89/40/1080078940.db2.gz NOQYEAMOAQWCPR-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC1(CC(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001588527531 1080078945 /nfs/dbraw/zinc/07/89/45/1080078945.db2.gz NOQYEAMOAQWCPR-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588533018 1080083994 /nfs/dbraw/zinc/08/39/94/1080083994.db2.gz LWBRJWKYVRRPOE-CYBMUJFWSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588533018 1080084003 /nfs/dbraw/zinc/08/40/03/1080084003.db2.gz LWBRJWKYVRRPOE-CYBMUJFWSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CCC1(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCOCC1 ZINC001588551642 1080091573 /nfs/dbraw/zinc/09/15/73/1080091573.db2.gz GOIOKYGCYUUQTD-KRWDZBQOSA-N -1 3 367.453 2.733 20 30 FFEDHM C=CCC1(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCOCC1 ZINC001588551642 1080091585 /nfs/dbraw/zinc/09/15/85/1080091585.db2.gz GOIOKYGCYUUQTD-KRWDZBQOSA-N -1 3 367.453 2.733 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001588551914 1080091762 /nfs/dbraw/zinc/09/17/62/1080091762.db2.gz LIYGHNRVJMRAHN-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001588551914 1080091767 /nfs/dbraw/zinc/09/17/67/1080091767.db2.gz LIYGHNRVJMRAHN-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588566297 1080101446 /nfs/dbraw/zinc/10/14/46/1080101446.db2.gz FFRVKUWUSSORBS-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588566297 1080101448 /nfs/dbraw/zinc/10/14/48/1080101448.db2.gz FFRVKUWUSSORBS-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588566896 1080101616 /nfs/dbraw/zinc/10/16/16/1080101616.db2.gz OHKVRUGMXVOIRN-GDBMZVCRSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588566896 1080101622 /nfs/dbraw/zinc/10/16/22/1080101622.db2.gz OHKVRUGMXVOIRN-GDBMZVCRSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588577491 1080105422 /nfs/dbraw/zinc/10/54/22/1080105422.db2.gz IUGVLYBWADSLCL-UHFFFAOYSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588577491 1080105430 /nfs/dbraw/zinc/10/54/30/1080105430.db2.gz IUGVLYBWADSLCL-UHFFFAOYSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588586855 1080109861 /nfs/dbraw/zinc/10/98/61/1080109861.db2.gz OEJXHNIXNSTIQG-HUUCEWRRSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588586855 1080109865 /nfs/dbraw/zinc/10/98/65/1080109865.db2.gz OEJXHNIXNSTIQG-HUUCEWRRSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588588321 1080110927 /nfs/dbraw/zinc/11/09/27/1080110927.db2.gz KOQXMQBRLUFXPS-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588588321 1080110930 /nfs/dbraw/zinc/11/09/30/1080110930.db2.gz KOQXMQBRLUFXPS-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001588587964 1080111290 /nfs/dbraw/zinc/11/12/90/1080111290.db2.gz AUWSFDUQUXIIDK-TZMCWYRMSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001588587964 1080111294 /nfs/dbraw/zinc/11/12/94/1080111294.db2.gz AUWSFDUQUXIIDK-TZMCWYRMSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC001588593770 1080115933 /nfs/dbraw/zinc/11/59/33/1080115933.db2.gz FTIOVUKWHPDVMU-ZDUSSCGKSA-N -1 3 374.445 2.758 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC001588593770 1080115939 /nfs/dbraw/zinc/11/59/39/1080115939.db2.gz FTIOVUKWHPDVMU-ZDUSSCGKSA-N -1 3 374.445 2.758 20 30 FFEDHM C=CCCn1cc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)nn1 ZINC001588625592 1080126214 /nfs/dbraw/zinc/12/62/14/1080126214.db2.gz LHWBZDPNGHQHBB-UHFFFAOYSA-N -1 3 368.470 2.519 20 30 FFEDHM C=CCCn1cc(CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)nn1 ZINC001588625592 1080126222 /nfs/dbraw/zinc/12/62/22/1080126222.db2.gz LHWBZDPNGHQHBB-UHFFFAOYSA-N -1 3 368.470 2.519 20 30 FFEDHM C=CCN(C)c1nnc(Cc2ccc(-c3nnn[n-]3)cc2C)n1CC(=C)C ZINC001588626626 1080127440 /nfs/dbraw/zinc/12/74/40/1080127440.db2.gz NIRUSOHZWLXIOE-UHFFFAOYSA-N -1 3 364.457 2.556 20 30 FFEDHM C=CCN(C)c1nnc(Cc2ccc(-c3nn[n-]n3)cc2C)n1CC(=C)C ZINC001588626626 1080127443 /nfs/dbraw/zinc/12/74/43/1080127443.db2.gz NIRUSOHZWLXIOE-UHFFFAOYSA-N -1 3 364.457 2.556 20 30 FFEDHM C=CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588628118 1080127498 /nfs/dbraw/zinc/12/74/98/1080127498.db2.gz RPOHQYIUAYSJLP-CRAIPNDOSA-N -1 3 368.485 2.550 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588635787 1080130659 /nfs/dbraw/zinc/13/06/59/1080130659.db2.gz VOHSEGDLYNRPDY-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588635787 1080130662 /nfs/dbraw/zinc/13/06/62/1080130662.db2.gz VOHSEGDLYNRPDY-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C=CCN(CCc1ccco1)[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588635766 1080131236 /nfs/dbraw/zinc/13/12/36/1080131236.db2.gz URRQMNWYFNQTLQ-AWEZNQCLSA-N -1 3 366.425 2.517 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cccnc1C ZINC001588640485 1080133742 /nfs/dbraw/zinc/13/37/42/1080133742.db2.gz UAMOKOQDMFMFQP-MDZDMXLPSA-N -1 3 360.421 2.798 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cccnc1C ZINC001588640485 1080133746 /nfs/dbraw/zinc/13/37/46/1080133746.db2.gz UAMOKOQDMFMFQP-MDZDMXLPSA-N -1 3 360.421 2.798 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001588641421 1080134826 /nfs/dbraw/zinc/13/48/26/1080134826.db2.gz FDZSQKXOOZQVMP-RUGDWHBFSA-N -1 3 366.469 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001588641421 1080134830 /nfs/dbraw/zinc/13/48/30/1080134830.db2.gz FDZSQKXOOZQVMP-RUGDWHBFSA-N -1 3 366.469 2.856 20 30 FFEDHM C=CCN(Cc1ccc(OCCOC)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588647901 1080138532 /nfs/dbraw/zinc/13/85/32/1080138532.db2.gz DDZNMQOSJOSKNX-UHFFFAOYSA-N -1 3 369.425 2.673 20 30 FFEDHM C=C[C@H](C(=O)[O-])N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001588663377 1080146263 /nfs/dbraw/zinc/14/62/63/1080146263.db2.gz MCUCFBOFXVWOHV-GRYCIOLGSA-N -1 3 366.380 2.651 20 30 FFEDHM C=CCOc1ccc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588689595 1080155781 /nfs/dbraw/zinc/15/57/81/1080155781.db2.gz HXFHMINIYKPKHO-UHFFFAOYSA-N -1 3 350.378 2.717 20 30 FFEDHM C=CCOc1ccc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588689595 1080155785 /nfs/dbraw/zinc/15/57/85/1080155785.db2.gz HXFHMINIYKPKHO-UHFFFAOYSA-N -1 3 350.378 2.717 20 30 FFEDHM C=CCc1cc(CNc2ccc(-c3nnn[n-]3)c(C)n2)cc(OC)c1OC ZINC001588694109 1080159025 /nfs/dbraw/zinc/15/90/25/1080159025.db2.gz CJQQWLMSGNKVLZ-UHFFFAOYSA-N -1 3 366.425 2.928 20 30 FFEDHM C=CCc1cc(CNc2ccc(-c3nn[n-]n3)c(C)n2)cc(OC)c1OC ZINC001588694109 1080159028 /nfs/dbraw/zinc/15/90/28/1080159028.db2.gz CJQQWLMSGNKVLZ-UHFFFAOYSA-N -1 3 366.425 2.928 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001588699021 1080160831 /nfs/dbraw/zinc/16/08/31/1080160831.db2.gz COWLDHBENUBWLW-IYBDPMFKSA-N -1 3 362.441 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001588699021 1080160836 /nfs/dbraw/zinc/16/08/36/1080160836.db2.gz COWLDHBENUBWLW-IYBDPMFKSA-N -1 3 362.441 2.548 20 30 FFEDHM C=CCn1c(C)cc(C(=O)CN2Cc3cccc(-c4nnn[n-]4)c3C2)c1C ZINC001588704211 1080162183 /nfs/dbraw/zinc/16/21/83/1080162183.db2.gz XVMSSBRTUFDACI-UHFFFAOYSA-N -1 3 362.437 2.670 20 30 FFEDHM C=CCn1c(C)cc(C(=O)CN2Cc3cccc(-c4nn[n-]n4)c3C2)c1C ZINC001588704211 1080162189 /nfs/dbraw/zinc/16/21/89/1080162189.db2.gz XVMSSBRTUFDACI-UHFFFAOYSA-N -1 3 362.437 2.670 20 30 FFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc[nH]c(=O)c1 ZINC001588777118 1080191070 /nfs/dbraw/zinc/19/10/70/1080191070.db2.gz GCLMLFWHPCDKTC-UHFFFAOYSA-N -1 3 363.303 2.822 20 30 FFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc[nH]c(=O)c1 ZINC001588777118 1080191072 /nfs/dbraw/zinc/19/10/72/1080191072.db2.gz GCLMLFWHPCDKTC-UHFFFAOYSA-N -1 3 363.303 2.822 20 30 FFEDHM C[C@H](C#N)CN(C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)C1CC1 ZINC001588930687 1080269863 /nfs/dbraw/zinc/26/98/63/1080269863.db2.gz GIKBTZLAFNCLPN-LLVKDONJSA-N -1 3 351.414 2.900 20 30 FFEDHM C[C@H](C#N)CN(C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)C1CC1 ZINC001588930687 1080269865 /nfs/dbraw/zinc/26/98/65/1080269865.db2.gz GIKBTZLAFNCLPN-LLVKDONJSA-N -1 3 351.414 2.900 20 30 FFEDHM C[C@H](C#N)OCCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588934713 1080270652 /nfs/dbraw/zinc/27/06/52/1080270652.db2.gz RNFBFAQKCQOCTP-CQSZACIVSA-N -1 3 364.409 2.786 20 30 FFEDHM C[C@H](C#N)OCCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588934713 1080270664 /nfs/dbraw/zinc/27/06/64/1080270664.db2.gz RNFBFAQKCQOCTP-CQSZACIVSA-N -1 3 364.409 2.786 20 30 FFEDHM CC(C)(C)OC(=O)C1(C)CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001589149341 1080387209 /nfs/dbraw/zinc/38/72/09/1080387209.db2.gz OKDKJQNZMUVNSR-UHFFFAOYSA-N -1 3 368.441 2.687 20 30 FFEDHM CC(C)(C)OC(=O)C1(C)CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001589149341 1080387215 /nfs/dbraw/zinc/38/72/15/1080387215.db2.gz OKDKJQNZMUVNSR-UHFFFAOYSA-N -1 3 368.441 2.687 20 30 FFEDHM CC(C)(C)OC(=O)CCNN=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589151683 1080388196 /nfs/dbraw/zinc/38/81/96/1080388196.db2.gz OZARJPYFZVRHRP-UHFFFAOYSA-N -1 3 370.457 2.619 20 30 FFEDHM CC(C)(C)OC(=O)CCNN=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589151683 1080388203 /nfs/dbraw/zinc/38/82/03/1080388203.db2.gz OZARJPYFZVRHRP-UHFFFAOYSA-N -1 3 370.457 2.619 20 30 FFEDHM C[C@@H](C(=O)[O-])N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC001589480167 1080554902 /nfs/dbraw/zinc/55/49/02/1080554902.db2.gz YODUACHJGSVOPL-WCQYABFASA-N -1 3 357.435 2.800 20 30 FFEDHM C[C@H](CCC(C)(C)C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589804856 1080762095 /nfs/dbraw/zinc/76/20/95/1080762095.db2.gz DHDZJOFLYNFUHN-CJNGLKHVSA-N -1 3 354.458 2.880 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1CCC(C#N)CC1 ZINC001590028621 1080954881 /nfs/dbraw/zinc/95/48/81/1080954881.db2.gz KVQDYENUMXAVRI-HSBZDZAISA-N -1 3 355.398 2.507 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1CCC(C#N)CC1 ZINC001590028621 1080954887 /nfs/dbraw/zinc/95/48/87/1080954887.db2.gz KVQDYENUMXAVRI-HSBZDZAISA-N -1 3 355.398 2.507 20 30 FFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001590037623 1080962257 /nfs/dbraw/zinc/96/22/57/1080962257.db2.gz OTMKTLDNNATRAK-ZETCQYMHSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001590037623 1080962261 /nfs/dbraw/zinc/96/22/61/1080962261.db2.gz OTMKTLDNNATRAK-ZETCQYMHSA-N -1 3 359.365 2.847 20 30 FFEDHM CC1(C)CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@](C)(C(F)(F)F)O1 ZINC001590106895 1081019407 /nfs/dbraw/zinc/01/94/07/1081019407.db2.gz YHKYMKSANUGLPQ-OAHLLOKOSA-N -1 3 366.347 2.675 20 30 FFEDHM CC1(C)CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@](C)(C(F)(F)F)O1 ZINC001590106895 1081019411 /nfs/dbraw/zinc/01/94/11/1081019411.db2.gz YHKYMKSANUGLPQ-OAHLLOKOSA-N -1 3 366.347 2.675 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1(C)C ZINC001590146528 1081050181 /nfs/dbraw/zinc/05/01/81/1081050181.db2.gz CNHZLOCBUIBLIE-HZPDHXFCSA-N -1 3 373.453 2.919 20 30 FFEDHM C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC001590285962 1081139686 /nfs/dbraw/zinc/13/96/86/1081139686.db2.gz XEVTVJDZKOMMMS-CJNGLKHVSA-N -1 3 358.405 2.699 20 30 FFEDHM C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001590285962 1081139689 /nfs/dbraw/zinc/13/96/89/1081139689.db2.gz XEVTVJDZKOMMMS-CJNGLKHVSA-N -1 3 358.405 2.699 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1cccn1C ZINC000267690117 251352999 /nfs/dbraw/zinc/35/29/99/251352999.db2.gz AGXSCBKYUCIBHB-SFHVURJKSA-N -1 3 352.438 2.911 20 30 FFEDHM Cc1noc(C)c1C(C)(C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000286814922 257056624 /nfs/dbraw/zinc/05/66/24/257056624.db2.gz VVCQAKFJMYYCPX-UHFFFAOYSA-N -1 3 356.426 2.865 20 30 FFEDHM CCc1ccc([C@@H](O)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000288165349 257154379 /nfs/dbraw/zinc/15/43/79/257154379.db2.gz FDFBWKRKNWNBSX-IBGZPJMESA-N -1 3 367.449 2.621 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc2c1CCCN2 ZINC000289354431 257276558 /nfs/dbraw/zinc/27/65/58/257276558.db2.gz YJDMYECOOKGHJF-UHFFFAOYSA-N -1 3 364.449 2.883 20 30 FFEDHM Cc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c([O-])c1C ZINC000052716956 136124640 /nfs/dbraw/zinc/12/46/40/136124640.db2.gz VQJNLXYTJBPHEJ-UHFFFAOYSA-N -1 3 353.397 2.982 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)n[n-]1 ZINC000052779016 506249462 /nfs/dbraw/zinc/24/94/62/506249462.db2.gz WRPNAZXAXHOPJS-GFCCVEGCSA-N -1 3 357.414 2.573 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065798849 506367931 /nfs/dbraw/zinc/36/79/31/506367931.db2.gz NQBIAXXZRMXXDY-UHFFFAOYSA-N -1 3 362.389 2.886 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2c(F)cccc2C1 ZINC000366732812 512163274 /nfs/dbraw/zinc/16/32/74/512163274.db2.gz AASMXWNCXZWGBG-UHFFFAOYSA-N -1 3 369.396 2.769 20 30 FFEDHM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cnn(-c3ncccc3C#N)c2)c1 ZINC000410340095 512242292 /nfs/dbraw/zinc/24/22/92/512242292.db2.gz WUWYVSYRCDSYQM-UHFFFAOYSA-N -1 3 367.434 2.698 20 30 FFEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1C ZINC000054727038 506612423 /nfs/dbraw/zinc/61/24/23/506612423.db2.gz IIBRNQYWEVQSMX-OAHLLOKOSA-N -1 3 351.410 2.761 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn3ccc(C)cc3n2)n1 ZINC000067896076 507044015 /nfs/dbraw/zinc/04/40/15/507044015.db2.gz ZXNZYUFCNKJAIM-NSHDSACASA-N -1 3 354.391 2.766 20 30 FFEDHM COCCOc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000064102183 507784551 /nfs/dbraw/zinc/78/45/51/507784551.db2.gz MUOBENMBNCAYDV-INIZCTEOSA-N -1 3 354.410 2.520 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000074606483 508038202 /nfs/dbraw/zinc/03/82/02/508038202.db2.gz MHFJOAWTUXZYNC-SFHVURJKSA-N -1 3 363.461 2.812 20 30 FFEDHM C=CCCCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000076650426 508235844 /nfs/dbraw/zinc/23/58/44/508235844.db2.gz SXVKXIFMAYGKME-INIZCTEOSA-N -1 3 356.463 2.553 20 30 FFEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000076839253 508257643 /nfs/dbraw/zinc/25/76/43/508257643.db2.gz XWUNZJJWVRXJJA-UHFFFAOYSA-N -1 3 350.371 2.523 20 30 FFEDHM Cc1ccc2c(c1C)OC[C@H]2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000077295740 508296553 /nfs/dbraw/zinc/29/65/53/508296553.db2.gz QLEZXMOXFMXAQO-GOSISDBHSA-N -1 3 365.433 2.663 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000127240586 508419419 /nfs/dbraw/zinc/41/94/19/508419419.db2.gz CWOMUZWPICDJAH-INIZCTEOSA-N -1 3 373.497 2.856 20 30 FFEDHM COc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000156534112 508435367 /nfs/dbraw/zinc/43/53/67/508435367.db2.gz MLYPOKOMZIUTSJ-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccccc1C(C)(C)C#N ZINC000133996739 508478756 /nfs/dbraw/zinc/47/87/56/508478756.db2.gz VOSKTVIODCJJAN-UHFFFAOYSA-N -1 3 357.435 2.958 20 30 FFEDHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157359462 508556770 /nfs/dbraw/zinc/55/67/70/508556770.db2.gz XUYXFFCUQCMMEZ-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000135367628 508595430 /nfs/dbraw/zinc/59/54/30/508595430.db2.gz KYMBQVAQIBJPPG-UHFFFAOYSA-N -1 3 364.398 2.913 20 30 FFEDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000123714608 508729473 /nfs/dbraw/zinc/72/94/73/508729473.db2.gz BIRHQBUIWBEZEZ-UHFFFAOYSA-N -1 3 363.826 2.995 20 30 FFEDHM COc1cc(C#N)ccc1OCCSc1n[n-]c(-c2ccccn2)n1 ZINC000119309301 508769813 /nfs/dbraw/zinc/76/98/13/508769813.db2.gz JANOJLLYDDZKHL-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM N#Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)nc2ccccc12 ZINC000120018352 508910512 /nfs/dbraw/zinc/91/05/12/508910512.db2.gz PVFCUEMQHLQEIY-UHFFFAOYSA-N -1 3 358.448 2.558 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(F)ccc12 ZINC000125149320 508939290 /nfs/dbraw/zinc/93/92/90/508939290.db2.gz RGKDSMDEIVKMCN-UHFFFAOYSA-N -1 3 361.373 2.839 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000151048360 508946506 /nfs/dbraw/zinc/94/65/06/508946506.db2.gz WUGTXZNNSYGCKJ-SFHVURJKSA-N -1 3 373.453 2.813 20 30 FFEDHM Cc1nc(C)c(CC(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c(=O)[n-]1 ZINC000160719135 509024622 /nfs/dbraw/zinc/02/46/22/509024622.db2.gz PQWBTVGELLOQNI-UHFFFAOYSA-N -1 3 365.418 2.563 20 30 FFEDHM N#Cc1ccc(OCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151618001 509053901 /nfs/dbraw/zinc/05/39/01/509053901.db2.gz ABTGBGCLJRVSRV-UHFFFAOYSA-N -1 3 361.195 2.722 20 30 FFEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1C ZINC000161108236 509072759 /nfs/dbraw/zinc/07/27/59/509072759.db2.gz BWYNVSCPRJUFNK-AWEZNQCLSA-N -1 3 351.428 2.962 20 30 FFEDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000191791523 509182764 /nfs/dbraw/zinc/18/27/64/509182764.db2.gz DKYOJVWOBWAGAQ-BZNIZROVSA-N -1 3 351.428 2.962 20 30 FFEDHM N#Cc1ccccc1-c1ccccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179090606 509258751 /nfs/dbraw/zinc/25/87/51/509258751.db2.gz XBMZYJDQPUIFPI-UHFFFAOYSA-N -1 3 356.385 2.507 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000186021080 509483159 /nfs/dbraw/zinc/48/31/59/509483159.db2.gz VQYQZEXYFJDLMJ-INIZCTEOSA-N -1 3 363.870 2.793 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCn2cnc3ccccc32)c1 ZINC000186120710 509531454 /nfs/dbraw/zinc/53/14/54/509531454.db2.gz YQLPCFYRPMVDDT-UHFFFAOYSA-N -1 3 374.853 2.930 20 30 FFEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000186488447 509734962 /nfs/dbraw/zinc/73/49/62/509734962.db2.gz REDLWHRSMMWQCG-UHFFFAOYSA-N -1 3 367.384 2.538 20 30 FFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183424825 509780617 /nfs/dbraw/zinc/78/06/17/509780617.db2.gz QLFAXZUTNRIPHE-UHFFFAOYSA-N -1 3 359.376 2.746 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000173981027 509887112 /nfs/dbraw/zinc/88/71/12/509887112.db2.gz UGQCTGQVNMCJMV-UHFFFAOYSA-N -1 3 357.435 2.810 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000253555435 509896086 /nfs/dbraw/zinc/89/60/86/509896086.db2.gz KCGUYUYFEMJRPW-KFKAGJAMSA-N -1 3 369.465 2.672 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1n[n-]c(COC)n1 ZINC000268470490 509952172 /nfs/dbraw/zinc/95/21/72/509952172.db2.gz HQZQDAAGQLWNFQ-NSHDSACASA-N -1 3 352.485 2.708 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CN(C)C)ccc1C ZINC000187134652 510079666 /nfs/dbraw/zinc/07/96/66/510079666.db2.gz LXULBFAULVVAIS-UHFFFAOYSA-N -1 3 359.451 2.738 20 30 FFEDHM C[C@](O)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000190377546 510095781 /nfs/dbraw/zinc/09/57/81/510095781.db2.gz CGNFEZIDFULYHN-INIZCTEOSA-N -1 3 356.875 2.821 20 30 FFEDHM C=CCCCN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000180824293 510130854 /nfs/dbraw/zinc/13/08/54/510130854.db2.gz TXBDJEXGIJTHJB-UHFFFAOYSA-N -1 3 355.435 2.696 20 30 FFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000187237012 510143042 /nfs/dbraw/zinc/14/30/42/510143042.db2.gz MGWYOXADEMUTQH-SECBINFHSA-N -1 3 364.261 2.709 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000171631462 510261610 /nfs/dbraw/zinc/26/16/10/510261610.db2.gz SIZGBRCJHOAEEL-UHFFFAOYSA-N -1 3 366.867 2.635 20 30 FFEDHM C=CC[C@H](C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000187485525 510294217 /nfs/dbraw/zinc/29/42/17/510294217.db2.gz OJWNDNUAKIIGJW-ROUUACIJSA-N -1 3 363.417 2.736 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000190864263 510381060 /nfs/dbraw/zinc/38/10/60/510381060.db2.gz XDQOWHWZWNFBET-WCQYABFASA-N -1 3 360.863 2.724 20 30 FFEDHM N#Cc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1[O-] ZINC000187678146 510383823 /nfs/dbraw/zinc/38/38/23/510383823.db2.gz CFCCOAMAEHOIAI-UHFFFAOYSA-N -1 3 355.463 2.967 20 30 FFEDHM N#CC(=C([O-])c1ccnc(OC2CCC2)c1)c1nnc2n1CCCCC2 ZINC000181431891 510406013 /nfs/dbraw/zinc/40/60/13/510406013.db2.gz YKNOLHOHAAJAAL-OAHLLOKOSA-N -1 3 351.410 2.821 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000194544577 510416216 /nfs/dbraw/zinc/41/62/16/510416216.db2.gz FAQJCCWRROZDCJ-UHFFFAOYSA-N -1 3 354.266 2.786 20 30 FFEDHM N#Cc1ccc(CN2CC[C@H]([N-]C(=O)C(F)(F)c3ccccc3)C2=O)cc1 ZINC000191057564 510485755 /nfs/dbraw/zinc/48/57/55/510485755.db2.gz QTSZQBARRPFOCO-KRWDZBQOSA-N -1 3 369.371 2.567 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000172033593 510509032 /nfs/dbraw/zinc/50/90/32/510509032.db2.gz ZEFDBOHVYXIBGW-QGZVFWFLSA-N -1 3 368.824 2.831 20 30 FFEDHM C=C(C)[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)c(F)c1 ZINC000184837576 510538900 /nfs/dbraw/zinc/53/89/00/510538900.db2.gz VUQLFWACWGTUNC-MRXNPFEDSA-N -1 3 356.328 2.896 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000175709130 510747506 /nfs/dbraw/zinc/74/75/06/510747506.db2.gz HMFDDKCCJRKYSL-CYBMUJFWSA-N -1 3 368.418 2.572 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000182216635 510818373 /nfs/dbraw/zinc/81/83/73/510818373.db2.gz HJCLJZAWNGIVGJ-DJJJIMSYSA-N -1 3 364.449 2.801 20 30 FFEDHM C=CC[C@@H]1N(C(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1(C)C ZINC000277892657 510976270 /nfs/dbraw/zinc/97/62/70/510976270.db2.gz FTHQXVLKZPELKL-KKSFZXQISA-N -1 3 369.465 2.948 20 30 FFEDHM CC[C@@H](C)[N-]C(=S)C(C(=O)c1nccs1)[n+]1cc([O-])ccc1F ZINC000278169102 510983571 /nfs/dbraw/zinc/98/35/71/510983571.db2.gz DESZPOQWQWDYTM-SECBINFHSA-O -1 3 354.452 2.602 20 30 FFEDHM Cc1c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)nnn1-c1ccn(C)n1 ZINC000297557254 510990602 /nfs/dbraw/zinc/99/06/02/510990602.db2.gz AZXVMRFTYCYKQK-UHFFFAOYSA-N -1 3 369.454 2.792 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)NC2(CCO)CCCCC2)ccc1F ZINC000330737510 511012928 /nfs/dbraw/zinc/01/29/28/511012928.db2.gz OEAYYZDUPNZLEA-UHFFFAOYSA-N -1 3 358.435 2.587 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(NC(=O)N(CCC#N)CCC(C)C)ccc1F ZINC000287232434 511045179 /nfs/dbraw/zinc/04/51/79/511045179.db2.gz OELLUQWYXWJYQF-UHFFFAOYSA-N -1 3 370.450 2.527 20 30 FFEDHM C=CCCCNC(=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000288546447 511079309 /nfs/dbraw/zinc/07/93/09/511079309.db2.gz IMCUTRXAMQDGGW-UHFFFAOYSA-N -1 3 369.259 2.586 20 30 FFEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cn(CC3(C)COC3)nn2)s1 ZINC000297933940 511114873 /nfs/dbraw/zinc/11/48/73/511114873.db2.gz ZDBGYQYVQWRVBR-UHFFFAOYSA-N -1 3 359.455 2.798 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271252847 511138289 /nfs/dbraw/zinc/13/82/89/511138289.db2.gz JJRJNMNXFKBGAY-UHFFFAOYSA-N -1 3 367.471 2.556 20 30 FFEDHM CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000271714409 511298666 /nfs/dbraw/zinc/29/86/66/511298666.db2.gz SDLHPDOKKUJEKW-UHFFFAOYSA-N -1 3 364.389 2.654 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(C)o1 ZINC000272184019 511456998 /nfs/dbraw/zinc/45/69/98/511456998.db2.gz TVNWLLIAFDOOAQ-CQSZACIVSA-N -1 3 352.387 2.655 20 30 FFEDHM COc1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)cc1OCCCC#N ZINC000284156127 511625242 /nfs/dbraw/zinc/62/52/42/511625242.db2.gz ZIZAHRFGDYNIDQ-UHFFFAOYSA-N -1 3 365.389 2.873 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000274187586 511747524 /nfs/dbraw/zinc/74/75/24/511747524.db2.gz LOYUSRMRVWHTGA-OCCSQVGLSA-N -1 3 374.384 2.813 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000274278891 511778305 /nfs/dbraw/zinc/77/83/05/511778305.db2.gz BPCJLXIOGXHXCJ-OAHLLOKOSA-N -1 3 358.847 2.733 20 30 FFEDHM N#Cc1c(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cn2ccccc12 ZINC000281460291 511856073 /nfs/dbraw/zinc/85/60/73/511856073.db2.gz VEUQHHTVUYUEMA-UHFFFAOYSA-N -1 3 364.371 2.701 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1nccn1C)c1cc(OC)cc(OC)c1 ZINC000293167911 511867528 /nfs/dbraw/zinc/86/75/28/511867528.db2.gz UZOCYOACLXUOEV-OAHLLOKOSA-N -1 3 365.380 2.854 20 30 FFEDHM O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)cc2nn[n-]c21 ZINC000328657728 511911311 /nfs/dbraw/zinc/91/13/11/511911311.db2.gz PRFVHXOUKXEEKS-CYBMUJFWSA-N -1 3 359.405 2.583 20 30 FFEDHM O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)cc2[n-]nnc21 ZINC000328657728 511911315 /nfs/dbraw/zinc/91/13/15/511911315.db2.gz PRFVHXOUKXEEKS-CYBMUJFWSA-N -1 3 359.405 2.583 20 30 FFEDHM O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)cc2n[n-]nc21 ZINC000328657728 511911319 /nfs/dbraw/zinc/91/13/19/511911319.db2.gz PRFVHXOUKXEEKS-CYBMUJFWSA-N -1 3 359.405 2.583 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCCCC#N ZINC000274699226 511913906 /nfs/dbraw/zinc/91/39/06/511913906.db2.gz TZWKAKDMKNNYFG-UHFFFAOYSA-N -1 3 360.863 2.727 20 30 FFEDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000328742490 511924194 /nfs/dbraw/zinc/92/41/94/511924194.db2.gz JNSVRVPJJVDYJQ-OAHLLOKOSA-N -1 3 368.437 2.678 20 30 FFEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)NC[C@H](O)C(F)(F)F ZINC000274946037 511995191 /nfs/dbraw/zinc/99/51/91/511995191.db2.gz RIIDUDMDZGYWOH-CBAPKCEASA-N -1 3 366.208 2.791 20 30 FFEDHM CC(=O)NC1(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CCCCC1 ZINC000329212530 512006337 /nfs/dbraw/zinc/00/63/37/512006337.db2.gz HWICSRAWUNAYGU-CXAGYDPISA-N -1 3 364.446 2.690 20 30 FFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275104590 512043447 /nfs/dbraw/zinc/04/34/47/512043447.db2.gz UVALFPUYXIFBCW-LLVKDONJSA-N -1 3 366.266 2.786 20 30 FFEDHM CCOCCO[N-]C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000367347962 512455915 /nfs/dbraw/zinc/45/59/15/512455915.db2.gz NQRQRHDSMGZGAN-UHFFFAOYSA-N -1 3 365.861 2.902 20 30 FFEDHM C#CCCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000367769511 512654151 /nfs/dbraw/zinc/65/41/51/512654151.db2.gz BNPWHOQUDZUJOW-GFCCVEGCSA-N -1 3 351.403 2.578 20 30 FFEDHM CC[C@@H](NC(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(F)F ZINC000411563484 512690982 /nfs/dbraw/zinc/69/09/82/512690982.db2.gz CUVBEUWPBGMOHB-PSASIEDQSA-N -1 3 374.256 2.844 20 30 FFEDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000390398580 512907415 /nfs/dbraw/zinc/90/74/15/512907415.db2.gz RWODRGQMZSHLFM-CYBMUJFWSA-N -1 3 350.465 2.893 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000435437252 513587529 /nfs/dbraw/zinc/58/75/29/513587529.db2.gz JBMZANXOJBAFHE-IBGZPJMESA-N -1 3 372.490 2.756 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)s1 ZINC000435436786 513587868 /nfs/dbraw/zinc/58/78/68/513587868.db2.gz HDDKKIDWWKPYKP-UHFFFAOYSA-N -1 3 354.428 2.896 20 30 FFEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435755890 513678299 /nfs/dbraw/zinc/67/82/99/513678299.db2.gz NLUQWHXNPGCERC-UHFFFAOYSA-N -1 3 363.826 2.681 20 30 FFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cccc(C(=O)N4CCCC4)n3)nc21 ZINC000442732389 513761256 /nfs/dbraw/zinc/76/12/56/513761256.db2.gz MHSZUEFWEAGVRK-CQSZACIVSA-N -1 3 373.416 2.992 20 30 FFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000416527359 513817748 /nfs/dbraw/zinc/81/77/48/513817748.db2.gz FRBRVGPTIHJCBE-UHFFFAOYSA-N -1 3 354.325 2.942 20 30 FFEDHM COc1ccc(Br)c(S(=O)(=O)[N-]CC(C)(C)CC#N)c1 ZINC000416531484 513820390 /nfs/dbraw/zinc/82/03/90/513820390.db2.gz OPNIWBQIYKHIAR-UHFFFAOYSA-N -1 3 361.261 2.676 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000443015626 513844727 /nfs/dbraw/zinc/84/47/27/513844727.db2.gz GURLPNDZSQGHSD-UHFFFAOYSA-N -1 3 371.827 2.702 20 30 FFEDHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000443075546 513864719 /nfs/dbraw/zinc/86/47/19/513864719.db2.gz VIIYVZGRNACZIZ-AWEZNQCLSA-N -1 3 373.434 2.993 20 30 FFEDHM COC1([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000416613404 513867799 /nfs/dbraw/zinc/86/77/99/513867799.db2.gz FMNRCNUAFWLJKW-JTQLQIEISA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cccc2cccnc21 ZINC000443089386 513868309 /nfs/dbraw/zinc/86/83/09/513868309.db2.gz UOPFNDQODMHWQB-UHFFFAOYSA-N -1 3 355.394 2.767 20 30 FFEDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000443115021 513876278 /nfs/dbraw/zinc/87/62/78/513876278.db2.gz YPWXFTMERPABHZ-UHFFFAOYSA-N -1 3 365.842 2.872 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451637457 513878970 /nfs/dbraw/zinc/87/89/70/513878970.db2.gz BGGRCOGEHSQNPP-JTQLQIEISA-N -1 3 359.354 2.570 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000443365492 513949912 /nfs/dbraw/zinc/94/99/12/513949912.db2.gz CUYCNRSOEJKOEL-PZROIBLQSA-N -1 3 360.410 2.929 20 30 FFEDHM COc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c([O-])c1 ZINC000443562767 513995333 /nfs/dbraw/zinc/99/53/33/513995333.db2.gz VXAWUYTXQJXLBB-UHFFFAOYSA-N -1 3 365.393 2.503 20 30 FFEDHM COc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c([O-])c1 ZINC000443566544 513996718 /nfs/dbraw/zinc/99/67/18/513996718.db2.gz MOCDIDFZZAKVIO-UHFFFAOYSA-N -1 3 374.418 2.731 20 30 FFEDHM CCc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c([O-])c1 ZINC000436839647 514003010 /nfs/dbraw/zinc/00/30/10/514003010.db2.gz OTEMVRMWFDTQJU-SFHVURJKSA-N -1 3 363.417 2.752 20 30 FFEDHM C=CCOc1ccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000426727697 514024157 /nfs/dbraw/zinc/02/41/57/514024157.db2.gz PROXZCCXAKMCAB-AWEZNQCLSA-N -1 3 369.343 2.710 20 30 FFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414450875 514124516 /nfs/dbraw/zinc/12/45/16/514124516.db2.gz HUINMQZSXHSCGQ-LBPRGKRZSA-N -1 3 363.317 2.584 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1F ZINC000427134100 514125743 /nfs/dbraw/zinc/12/57/43/514125743.db2.gz VZCDFPHPNGEHPR-UHFFFAOYSA-N -1 3 354.746 2.880 20 30 FFEDHM Cn1[n-]c(=NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1OC(F)F ZINC000417032150 514131987 /nfs/dbraw/zinc/13/19/87/514131987.db2.gz XUYYUOAKRQULHO-ZDUSSCGKSA-N -1 3 361.352 2.514 20 30 FFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cn(CC(=O)C(C)(C)C)nn3)[nH]c21 ZINC000432296150 514151424 /nfs/dbraw/zinc/15/14/24/514151424.db2.gz JXYKSVYTBZUYOS-GFCCVEGCSA-N -1 3 364.409 2.568 20 30 FFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000452039221 514153539 /nfs/dbraw/zinc/15/35/39/514153539.db2.gz GJKAZTDCSQYQAI-UHFFFAOYSA-N -1 3 358.529 2.697 20 30 FFEDHM C=CCN(C(=O)c1ccc(O)cc1[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444379433 514217224 /nfs/dbraw/zinc/21/72/24/514217224.db2.gz AIVUSUYXZAZKGI-SFHVURJKSA-N -1 3 369.417 2.900 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNc3nccc(C)c3C#N)c2)[n-]1 ZINC000432928796 514325552 /nfs/dbraw/zinc/32/55/52/514325552.db2.gz UQEOBZUGSSODRS-UHFFFAOYSA-N -1 3 362.393 2.836 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNc3nccc(C)c3C#N)c2)n[n-]1 ZINC000432928796 514325556 /nfs/dbraw/zinc/32/55/56/514325556.db2.gz UQEOBZUGSSODRS-UHFFFAOYSA-N -1 3 362.393 2.836 20 30 FFEDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428263585 514435789 /nfs/dbraw/zinc/43/57/89/514435789.db2.gz WNSFYUIAGJUPKR-ZBEGNZNMSA-N -1 3 365.842 2.661 20 30 FFEDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428263577 514435863 /nfs/dbraw/zinc/43/58/63/514435863.db2.gz WNSFYUIAGJUPKR-BDJLRTHQSA-N -1 3 365.842 2.661 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000428390868 514464430 /nfs/dbraw/zinc/46/44/30/514464430.db2.gz DQOQENPYHGAELE-JTQLQIEISA-N -1 3 371.340 2.891 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C#N)cc2C)cc1OC ZINC000438905644 514464625 /nfs/dbraw/zinc/46/46/25/514464625.db2.gz RGDBDCPETZRNDU-UHFFFAOYSA-N -1 3 373.434 2.889 20 30 FFEDHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000421154559 514508725 /nfs/dbraw/zinc/50/87/25/514508725.db2.gz NEBUFDKXXBREKA-QGZVFWFLSA-N -1 3 373.478 2.989 20 30 FFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461111861 514517778 /nfs/dbraw/zinc/51/77/78/514517778.db2.gz LASSABOETJGLKV-AWEZNQCLSA-N -1 3 357.273 2.603 20 30 FFEDHM N#Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1 ZINC000439436067 514552108 /nfs/dbraw/zinc/55/21/08/514552108.db2.gz VXSGKCGQZUFSIZ-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000508093014 514664084 /nfs/dbraw/zinc/66/40/84/514664084.db2.gz GEBZRAJDUYWBOF-CYBMUJFWSA-N -1 3 350.868 2.934 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c1 ZINC000475814819 514820502 /nfs/dbraw/zinc/82/05/02/514820502.db2.gz XIBGDBMEZFDXCY-UHFFFAOYSA-N -1 3 350.827 2.828 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CCC(=C)C)no2)ccc1F ZINC000508625529 514845305 /nfs/dbraw/zinc/84/53/05/514845305.db2.gz NLEJRZFTKUCWIL-UHFFFAOYSA-N -1 3 351.403 2.849 20 30 FFEDHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476338831 515010271 /nfs/dbraw/zinc/01/02/71/515010271.db2.gz MRLBZILTKTZFGI-JTQLQIEISA-N -1 3 358.847 2.610 20 30 FFEDHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476338833 515010873 /nfs/dbraw/zinc/01/08/73/515010873.db2.gz MRLBZILTKTZFGI-SNVBAGLBSA-N -1 3 358.847 2.610 20 30 FFEDHM N#C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000509097316 515021970 /nfs/dbraw/zinc/02/19/70/515021970.db2.gz QTGPBZULNNODOW-JEOXALJRSA-N -1 3 355.344 2.516 20 30 FFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000489960436 515048953 /nfs/dbraw/zinc/04/89/53/515048953.db2.gz VDTBJUGTZASWRZ-QGZVFWFLSA-N -1 3 357.435 2.615 20 30 FFEDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503488037 515051755 /nfs/dbraw/zinc/05/17/55/515051755.db2.gz OBWVCPJJQZVQHP-NSHDSACASA-N -1 3 350.827 2.827 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000476554516 515098622 /nfs/dbraw/zinc/09/86/22/515098622.db2.gz XYGXBMSXQNYJAG-UHFFFAOYSA-N -1 3 357.391 2.520 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000503794218 515143010 /nfs/dbraw/zinc/14/30/10/515143010.db2.gz AQWBHGVGPHKEIR-ZDUSSCGKSA-N -1 3 354.815 2.861 20 30 FFEDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000472200536 515167658 /nfs/dbraw/zinc/16/76/58/515167658.db2.gz JFTKYENKVLVDKR-UHFFFAOYSA-N -1 3 364.389 2.797 20 30 FFEDHM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000468576804 515421542 /nfs/dbraw/zinc/42/15/42/515421542.db2.gz NXWFZAXWGYPAFQ-CYBMUJFWSA-N -1 3 361.398 2.658 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)cc1 ZINC000499932565 515519312 /nfs/dbraw/zinc/51/93/12/515519312.db2.gz TWYLFIVBCKKECJ-OAHLLOKOSA-N -1 3 363.826 2.706 20 30 FFEDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n[nH]1 ZINC000486601501 515556999 /nfs/dbraw/zinc/55/69/99/515556999.db2.gz IULNXJMEJPKDLY-UWVGGRQHSA-N -1 3 367.862 2.883 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000493241957 515612197 /nfs/dbraw/zinc/61/21/97/515612197.db2.gz IOSIWFHZNNHFIY-UHFFFAOYSA-N -1 3 370.521 2.693 20 30 FFEDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(F)cc(C(F)(F)F)c1 ZINC000482219653 515614194 /nfs/dbraw/zinc/61/41/94/515614194.db2.gz WPSQPKIEEQKZRY-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(F)cc(C(F)(F)F)c1 ZINC000482219653 515614202 /nfs/dbraw/zinc/61/42/02/515614202.db2.gz WPSQPKIEEQKZRY-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)cc(C(F)(F)F)c1 ZINC000482219653 515614212 /nfs/dbraw/zinc/61/42/12/515614212.db2.gz WPSQPKIEEQKZRY-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM CC1(C#N)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000482611801 515737184 /nfs/dbraw/zinc/73/71/84/515737184.db2.gz UNSPHZSROJSVQA-UHFFFAOYSA-N -1 3 373.409 2.612 20 30 FFEDHM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)cc12 ZINC000494441013 515844561 /nfs/dbraw/zinc/84/45/61/515844561.db2.gz SXXJWUZAKZKKBE-UHFFFAOYSA-N -1 3 361.814 2.603 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000511733690 516015952 /nfs/dbraw/zinc/01/59/52/516015952.db2.gz IRGXAGYZRMWJDA-LRDDRELGSA-N -1 3 354.244 2.795 20 30 FFEDHM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000540321397 516509750 /nfs/dbraw/zinc/50/97/50/516509750.db2.gz PTXIQTWKYGYATG-YPMHNXCESA-N -1 3 362.373 2.670 20 30 FFEDHM Cc1nc(C)c(CCC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c(=O)[n-]1 ZINC000518135224 516560109 /nfs/dbraw/zinc/56/01/09/516560109.db2.gz ZTHCLFIHEPPNOH-UHFFFAOYSA-N -1 3 353.426 2.616 20 30 FFEDHM C=CCOc1ccccc1C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000518163932 516565321 /nfs/dbraw/zinc/56/53/21/516565321.db2.gz QNSSERMZUIBLFH-HXUWFJFHSA-N -1 3 365.389 2.558 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551516346 516741605 /nfs/dbraw/zinc/74/16/05/516741605.db2.gz JAFCXQRFVSRRQC-VIFPVBQESA-N -1 3 368.680 2.565 20 30 FFEDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCO1 ZINC000540894784 516758665 /nfs/dbraw/zinc/75/86/65/516758665.db2.gz LCKZMHGKBZUBEV-HOCLYGCPSA-N -1 3 354.447 2.959 20 30 FFEDHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000548124164 516779238 /nfs/dbraw/zinc/77/92/38/516779238.db2.gz CUKVMHXQKGTGQG-INIZCTEOSA-N -1 3 361.854 2.677 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000548441026 516986750 /nfs/dbraw/zinc/98/67/50/516986750.db2.gz QMMVOQCFDDEXRO-ACJLOTCBSA-N -1 3 361.442 2.667 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc3cnn(C)c3c2)no1 ZINC000544990543 517013325 /nfs/dbraw/zinc/01/33/25/517013325.db2.gz UHGXWMUSCPYXMF-UHFFFAOYSA-N -1 3 374.404 2.998 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000541389990 517027442 /nfs/dbraw/zinc/02/74/42/517027442.db2.gz SUVSLAMIIPGHSS-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000545189165 517094027 /nfs/dbraw/zinc/09/40/27/517094027.db2.gz APZYOQKDTSJIIR-UHFFFAOYSA-N -1 3 362.426 2.971 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532711406 517107567 /nfs/dbraw/zinc/10/75/67/517107567.db2.gz AULNYCZTIIWMCV-CABCVRRESA-N -1 3 350.484 2.838 20 30 FFEDHM N#Cc1cccc(F)c1CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000552294671 517180855 /nfs/dbraw/zinc/18/08/55/517180855.db2.gz ZHWUPRPHFYTCGB-UHFFFAOYSA-N -1 3 356.307 2.969 20 30 FFEDHM N#CC(=C([O-])c1ccc(F)c(I)c1)c1ccncn1 ZINC000545446737 517243170 /nfs/dbraw/zinc/24/31/70/517243170.db2.gz SKJCFSNOZGVMBI-VIFPVBQESA-N -1 3 367.121 2.710 20 30 FFEDHM CSc1nc([O-])c(C(=O)Nc2ccccc2-n2ccnc2)cc1C#N ZINC000537582373 517241863 /nfs/dbraw/zinc/24/18/63/517241863.db2.gz HKVALLKGHJULQQ-UHFFFAOYSA-N -1 3 351.391 2.819 20 30 FFEDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000556106933 517270991 /nfs/dbraw/zinc/27/09/91/517270991.db2.gz AZGCATNLEHAIMD-UHFFFAOYSA-N -1 3 365.349 2.674 20 30 FFEDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000556106933 517270997 /nfs/dbraw/zinc/27/09/97/517270997.db2.gz AZGCATNLEHAIMD-UHFFFAOYSA-N -1 3 365.349 2.674 20 30 FFEDHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)s1 ZINC000559637527 517355988 /nfs/dbraw/zinc/35/59/88/517355988.db2.gz RJSCSOGZDMDTBN-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM N#CC(=C([O-])c1cc(Br)c2c(c1)OCCO2)c1ccncn1 ZINC000546154320 517573315 /nfs/dbraw/zinc/57/33/15/517573315.db2.gz YGAZFTSSUULWRF-JTQLQIEISA-N -1 3 360.167 2.500 20 30 FFEDHM C[C@@H](CC#N)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000542504092 517599576 /nfs/dbraw/zinc/59/95/76/517599576.db2.gz MNPLAXPXSHUBAU-VIFPVBQESA-N -1 3 353.300 2.801 20 30 FFEDHM N#CC(=C([O-])c1cnc2n[nH]nc2c1)c1nc2ccccc2n1C(F)F ZINC000527350279 517652896 /nfs/dbraw/zinc/65/28/96/517652896.db2.gz BXQJHQIQKKAVNZ-SECBINFHSA-N -1 3 353.292 2.588 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2ccncc2)C1 ZINC000556953553 517772095 /nfs/dbraw/zinc/77/20/95/517772095.db2.gz KKZIYINJKRJRRG-MRXNPFEDSA-N -1 3 350.422 2.619 20 30 FFEDHM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1I ZINC000546858930 517890971 /nfs/dbraw/zinc/89/09/71/517890971.db2.gz SWQKKMHXMJETAK-NSHDSACASA-N -1 3 363.158 2.880 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(CCc3ccc(C#N)cc3)n2)cc1 ZINC000547004612 517953135 /nfs/dbraw/zinc/95/31/35/517953135.db2.gz UTRSTGOLGYHLDX-UHFFFAOYSA-N -1 3 368.418 2.765 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c(F)c1 ZINC000530825459 517995489 /nfs/dbraw/zinc/99/54/89/517995489.db2.gz FAIJWXAUIKXJKY-UHFFFAOYSA-N -1 3 361.423 2.828 20 30 FFEDHM Cc1cc(C#N)ccc1-c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000547210945 518024120 /nfs/dbraw/zinc/02/41/20/518024120.db2.gz YNHMWOBOOMSDSA-HXUWFJFHSA-N -1 3 373.372 2.638 20 30 FFEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccsc1 ZINC000578460630 518221065 /nfs/dbraw/zinc/22/10/65/518221065.db2.gz UYJULJRIKYYMEC-AWEZNQCLSA-N -1 3 353.469 2.574 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc2c(s1)CCC2 ZINC000566903658 518258380 /nfs/dbraw/zinc/25/83/80/518258380.db2.gz NWYXKRHLDHRGGN-VIFPVBQESA-N -1 3 351.428 2.682 20 30 FFEDHM N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCc2nc[n-]c(=O)c2C1 ZINC000572898391 518411763 /nfs/dbraw/zinc/41/17/63/518411763.db2.gz XETRLFBEUFXOJQ-UHFFFAOYSA-N -1 3 355.760 2.957 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000576336329 518541811 /nfs/dbraw/zinc/54/18/11/518541811.db2.gz RPLQOQIDAQLNQN-HIFRSBDPSA-N -1 3 366.439 2.957 20 30 FFEDHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000570577400 518677458 /nfs/dbraw/zinc/67/74/58/518677458.db2.gz ZZHPXHOASSYXJG-MNOVXSKESA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000579436854 518678120 /nfs/dbraw/zinc/67/81/20/518678120.db2.gz CVZHQGADTMUDJU-GFCCVEGCSA-N -1 3 354.859 2.839 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCCO1 ZINC000588121011 518729601 /nfs/dbraw/zinc/72/96/01/518729601.db2.gz NMLPKSIJRIJXMT-OLZOCXBDSA-N -1 3 373.272 2.557 20 30 FFEDHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1 ZINC000574108692 518990511 /nfs/dbraw/zinc/99/05/11/518990511.db2.gz YIXKSTRHKVWIFS-JTQLQIEISA-N -1 3 373.272 2.557 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccs1 ZINC000583111420 519079519 /nfs/dbraw/zinc/07/95/19/519079519.db2.gz AFXFRCSCYXOSRA-ZDUSSCGKSA-N -1 3 356.494 2.719 20 30 FFEDHM C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000566042839 519260630 /nfs/dbraw/zinc/26/06/30/519260630.db2.gz MAPXHUXIADWMFJ-UHFFFAOYSA-N -1 3 369.469 2.646 20 30 FFEDHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594752282 520133344 /nfs/dbraw/zinc/13/33/44/520133344.db2.gz LBJCGMRCPPZMQJ-UHFFFAOYSA-N -1 3 366.464 2.701 20 30 FFEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CC#N ZINC000594752238 520134051 /nfs/dbraw/zinc/13/40/51/520134051.db2.gz NFURKASAGXPXFP-SNVBAGLBSA-N -1 3 361.261 2.818 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000594766201 520143364 /nfs/dbraw/zinc/14/33/64/520143364.db2.gz LNSMGMWMOAIYME-UHFFFAOYSA-N -1 3 374.447 2.820 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]Cc1cnn(C)c1C ZINC000594764848 520143840 /nfs/dbraw/zinc/14/38/40/520143840.db2.gz CGGLNBWEQVKYSC-UHFFFAOYSA-N -1 3 360.464 2.602 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCCOCC1 ZINC000594774181 520149123 /nfs/dbraw/zinc/14/91/23/520149123.db2.gz XTGYPKADVXXTIR-CYBMUJFWSA-N -1 3 350.465 2.929 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594776948 520151240 /nfs/dbraw/zinc/15/12/40/520151240.db2.gz QKFXVUUODWJTTO-AWEZNQCLSA-N -1 3 350.465 2.785 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594814678 520170769 /nfs/dbraw/zinc/17/07/69/520170769.db2.gz DOVBGJKYKBWBJA-UHFFFAOYSA-N -1 3 350.849 2.836 20 30 FFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000597680321 520172443 /nfs/dbraw/zinc/17/24/43/520172443.db2.gz LJSZGNHHLAYBTP-UHFFFAOYSA-N -1 3 352.398 2.567 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1cccc(OC2CC2)c1F ZINC000594839629 520183358 /nfs/dbraw/zinc/18/33/58/520183358.db2.gz QERXEBJRGOVDKC-UHFFFAOYSA-N -1 3 352.412 2.779 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1(F)F ZINC000594859380 520193260 /nfs/dbraw/zinc/19/32/60/520193260.db2.gz ZUXJSEJNRJLYQL-LLVKDONJSA-N -1 3 365.199 2.644 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OC)C1 ZINC000595123785 520307678 /nfs/dbraw/zinc/30/76/78/520307678.db2.gz OHVMSBDFYQCDCF-GFCCVEGCSA-N -1 3 350.440 2.596 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@@H]2N2CCCC2)o1 ZINC000592385273 520363388 /nfs/dbraw/zinc/36/33/88/520363388.db2.gz HKHDKCIIBLGXDE-PKOBYXMFSA-N -1 3 371.462 2.581 20 30 FFEDHM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)C[C@@H]3CCCO3)cn2)c1 ZINC000609819080 520444110 /nfs/dbraw/zinc/44/41/10/520444110.db2.gz QMVWHRGEUKGFCC-INIZCTEOSA-N -1 3 359.407 2.666 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000600780929 520465842 /nfs/dbraw/zinc/46/58/42/520465842.db2.gz XEDGWFJZFCTTSD-UHFFFAOYSA-N -1 3 374.444 2.859 20 30 FFEDHM C=CCCC1(CNC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCCC1 ZINC000617417328 520486844 /nfs/dbraw/zinc/48/68/44/520486844.db2.gz UWWIAWPYBHLAOB-FQEVSTJZSA-N -1 3 369.465 2.998 20 30 FFEDHM CC(C)(C)c1ccc(C#N)c(N2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000613412037 520490544 /nfs/dbraw/zinc/49/05/44/520490544.db2.gz ZZXLSPZYAKHJMS-UHFFFAOYSA-N -1 3 364.449 2.919 20 30 FFEDHM C=CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@H](C)COC ZINC000617580681 520590235 /nfs/dbraw/zinc/59/02/35/520590235.db2.gz BXOOOUFACNPFPO-GFCCVEGCSA-N -1 3 373.409 2.604 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593215821 520835451 /nfs/dbraw/zinc/83/54/51/520835451.db2.gz RTWKJMHJCBFSOK-UHFFFAOYSA-N -1 3 366.421 2.826 20 30 FFEDHM Cc1c(C)n(-c2ccccc2)c([N-]C(=O)c2nnn(C(C)(C)C)n2)c1C#N ZINC000598809417 520853110 /nfs/dbraw/zinc/85/31/10/520853110.db2.gz QFDRYEWTFGRXLW-UHFFFAOYSA-N -1 3 363.425 2.960 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c(F)c1 ZINC000593275671 520874519 /nfs/dbraw/zinc/87/45/19/520874519.db2.gz JCKAGULYUFCXCY-UHFFFAOYSA-N -1 3 354.403 2.507 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C(C)C)on3)sc2C1 ZINC000598890448 520903847 /nfs/dbraw/zinc/90/38/47/520903847.db2.gz KVFPWYFXEYTWSK-UHFFFAOYSA-N -1 3 358.423 2.888 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000611025462 520951812 /nfs/dbraw/zinc/95/18/12/520951812.db2.gz JAQYINLVIUNVMH-UHFFFAOYSA-N -1 3 362.279 2.732 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCOc2ccc(F)cc21 ZINC000593535616 521058710 /nfs/dbraw/zinc/05/87/10/521058710.db2.gz MPJDZHGUQFJLSA-LBPRGKRZSA-N -1 3 352.412 2.951 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000593539588 521062824 /nfs/dbraw/zinc/06/28/24/521062824.db2.gz XWMQEAGQYSTAPY-KRWDZBQOSA-N -1 3 372.446 2.680 20 30 FFEDHM C=CCCC1(C[N-]S(=O)(=O)Cc2cc(C(=O)OCC)no2)CCCC1 ZINC000599339243 521162594 /nfs/dbraw/zinc/16/25/94/521162594.db2.gz KTWZCOCKDDXDIK-UHFFFAOYSA-N -1 3 370.471 2.797 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000619529160 521754645 /nfs/dbraw/zinc/75/46/45/521754645.db2.gz KFQBFYADZWHMPE-UHFFFAOYSA-N -1 3 373.272 2.820 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)NCc2ccc(C#N)c(Cl)c2)c([O-])c1 ZINC000619780503 521868746 /nfs/dbraw/zinc/86/87/46/521868746.db2.gz TZLITFQXHHTZGR-UHFFFAOYSA-N -1 3 371.824 2.662 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)nn1 ZINC000632635736 522200948 /nfs/dbraw/zinc/20/09/48/522200948.db2.gz JYNATKJDIAVBHF-UHFFFAOYSA-N -1 3 372.903 2.708 20 30 FFEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000627413734 522831617 /nfs/dbraw/zinc/83/16/17/522831617.db2.gz VXADOQQANJVVFV-UHFFFAOYSA-N -1 3 373.434 2.730 20 30 FFEDHM CCc1[n-][nH]c(=NC(=O)c2ccnc(C#N)c2)c1-c1ccc2c(c1)OCO2 ZINC000480194644 561204606 /nfs/dbraw/zinc/20/46/06/561204606.db2.gz GTCHEDZUBGDNBC-UHFFFAOYSA-N -1 3 361.361 2.887 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737711069 598914319 /nfs/dbraw/zinc/91/43/19/598914319.db2.gz YGHYROCCFRVUIC-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737711069 598914321 /nfs/dbraw/zinc/91/43/21/598914321.db2.gz YGHYROCCFRVUIC-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1-c1nnn[n-]1 ZINC000737720117 598922040 /nfs/dbraw/zinc/92/20/40/598922040.db2.gz YQWAQLHUBZHQCP-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1-c1nn[n-]n1 ZINC000737720117 598922042 /nfs/dbraw/zinc/92/20/42/598922042.db2.gz YQWAQLHUBZHQCP-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM CCn1cc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736723186 598930040 /nfs/dbraw/zinc/93/00/40/598930040.db2.gz VYBNWJWKGPOYDX-UHFFFAOYSA-N -1 3 371.404 2.894 20 30 FFEDHM CCn1cc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736723186 598930041 /nfs/dbraw/zinc/93/00/41/598930041.db2.gz VYBNWJWKGPOYDX-UHFFFAOYSA-N -1 3 371.404 2.894 20 30 FFEDHM CCc1ccc(C=NOCCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736684112 598977468 /nfs/dbraw/zinc/97/74/68/598977468.db2.gz VBXRHMPHHRMXIW-UHFFFAOYSA-N -1 3 367.409 2.867 20 30 FFEDHM CCc1ccc(C=NOCCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736684112 598977469 /nfs/dbraw/zinc/97/74/69/598977469.db2.gz VBXRHMPHHRMXIW-UHFFFAOYSA-N -1 3 367.409 2.867 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nc(C)n2ccccc12 ZINC000735418645 599034145 /nfs/dbraw/zinc/03/41/45/599034145.db2.gz HWPHEADIOSLKPI-UHFFFAOYSA-N -1 3 373.420 2.651 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nc(C)n2ccccc12 ZINC000735418645 599034146 /nfs/dbraw/zinc/03/41/46/599034146.db2.gz HWPHEADIOSLKPI-UHFFFAOYSA-N -1 3 373.420 2.651 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735380407 599093345 /nfs/dbraw/zinc/09/33/45/599093345.db2.gz GQXLXUJUUJFSTB-JXMROGBWSA-N -1 3 363.352 2.670 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735380407 599093348 /nfs/dbraw/zinc/09/33/48/599093348.db2.gz GQXLXUJUUJFSTB-JXMROGBWSA-N -1 3 363.352 2.670 20 30 FFEDHM C=CCOCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000819750644 599146084 /nfs/dbraw/zinc/14/60/84/599146084.db2.gz IGGGVRSWXPLYFL-UHFFFAOYSA-N -1 3 357.458 2.834 20 30 FFEDHM C=CCOCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000819750644 599146086 /nfs/dbraw/zinc/14/60/86/599146086.db2.gz IGGGVRSWXPLYFL-UHFFFAOYSA-N -1 3 357.458 2.834 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735975544 599153169 /nfs/dbraw/zinc/15/31/69/599153169.db2.gz PNRCVJKERASJEV-ZDUSSCGKSA-N -1 3 363.377 2.905 20 30 FFEDHM COc1ccc(C=C2COc3c(F)cc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737085129 599155597 /nfs/dbraw/zinc/15/55/97/599155597.db2.gz YPYRGCTUGSCSCA-WMZJFQQLSA-N -1 3 370.315 2.812 20 30 FFEDHM COc1ccc(C=C2COc3c(F)cc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737085129 599155599 /nfs/dbraw/zinc/15/55/99/599155599.db2.gz YPYRGCTUGSCSCA-WMZJFQQLSA-N -1 3 370.315 2.812 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccnc2C)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737500164 599158555 /nfs/dbraw/zinc/15/85/55/599158555.db2.gz DCAOVZPHIPFZRF-JXMROGBWSA-N -1 3 371.404 2.960 20 30 FFEDHM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1C(C)(C)C ZINC000736669771 599191055 /nfs/dbraw/zinc/19/10/55/599191055.db2.gz KCPZJEWMJUEHJP-UHFFFAOYSA-N -1 3 364.413 2.505 20 30 FFEDHM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1C(C)(C)C ZINC000736669771 599191058 /nfs/dbraw/zinc/19/10/58/599191058.db2.gz KCPZJEWMJUEHJP-UHFFFAOYSA-N -1 3 364.413 2.505 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736244548 599201425 /nfs/dbraw/zinc/20/14/25/599201425.db2.gz JYFKZDKYOYAAIP-SCLBCKFNSA-N -1 3 370.482 2.689 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736244548 599201427 /nfs/dbraw/zinc/20/14/27/599201427.db2.gz JYFKZDKYOYAAIP-SCLBCKFNSA-N -1 3 370.482 2.689 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000736189921 598419826 /nfs/dbraw/zinc/41/98/26/598419826.db2.gz DENXENGDVOJOLN-GFCCVEGCSA-N -1 3 356.455 2.690 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000736189921 598419828 /nfs/dbraw/zinc/41/98/28/598419828.db2.gz DENXENGDVOJOLN-GFCCVEGCSA-N -1 3 356.455 2.690 20 30 FFEDHM C#CCOc1cccc(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735387886 598422096 /nfs/dbraw/zinc/42/20/96/598422096.db2.gz JLMGJKBMGVXQQE-UHFFFAOYSA-N -1 3 366.402 2.576 20 30 FFEDHM C#CCOc1cccc(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735387886 598422098 /nfs/dbraw/zinc/42/20/98/598422098.db2.gz JLMGJKBMGVXQQE-UHFFFAOYSA-N -1 3 366.402 2.576 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402597 598444890 /nfs/dbraw/zinc/44/48/90/598444890.db2.gz YNQVIDYQXHAEHR-UHFFFAOYSA-N -1 3 365.393 2.839 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000737720941 598544026 /nfs/dbraw/zinc/54/40/26/598544026.db2.gz CGEURYYIUAKZTD-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737720941 598544028 /nfs/dbraw/zinc/54/40/28/598544028.db2.gz CGEURYYIUAKZTD-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736816435 598624319 /nfs/dbraw/zinc/62/43/19/598624319.db2.gz HCKIWHFPHJHGQK-UHFFFAOYSA-N -1 3 351.345 2.541 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736816435 598624320 /nfs/dbraw/zinc/62/43/20/598624320.db2.gz HCKIWHFPHJHGQK-UHFFFAOYSA-N -1 3 351.345 2.541 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(OCC#N)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201668 598640600 /nfs/dbraw/zinc/64/06/00/598640600.db2.gz GBOTUMCEEBYEPP-FPLPWBNLSA-N -1 3 374.404 2.721 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(OCC#N)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201668 598640602 /nfs/dbraw/zinc/64/06/02/598640602.db2.gz GBOTUMCEEBYEPP-FPLPWBNLSA-N -1 3 374.404 2.721 20 30 FFEDHM C=CCOc1ccccc1CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735436226 598642444 /nfs/dbraw/zinc/64/24/44/598642444.db2.gz HQZAKPXBKVYESA-UHFFFAOYSA-N -1 3 366.450 2.918 20 30 FFEDHM C=CCOc1ccccc1CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735436226 598642446 /nfs/dbraw/zinc/64/24/46/598642446.db2.gz HQZAKPXBKVYESA-UHFFFAOYSA-N -1 3 366.450 2.918 20 30 FFEDHM N#Cc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737730494 598645182 /nfs/dbraw/zinc/64/51/82/598645182.db2.gz LVTVBQNBCAIHKZ-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM N#Cc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737730494 598645184 /nfs/dbraw/zinc/64/51/84/598645184.db2.gz LVTVBQNBCAIHKZ-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM CC(=O)Nc1ccc(C(C)=NOCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735484105 598674106 /nfs/dbraw/zinc/67/41/06/598674106.db2.gz HBWWAYFUEIKAFW-UHFFFAOYSA-N -1 3 368.372 2.905 20 30 FFEDHM CC(=O)Nc1ccc(C(C)=NOCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735484105 598674107 /nfs/dbraw/zinc/67/41/07/598674107.db2.gz HBWWAYFUEIKAFW-UHFFFAOYSA-N -1 3 368.372 2.905 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735417100 598752675 /nfs/dbraw/zinc/75/26/75/598752675.db2.gz YVKIJFHDIVUMMG-UHFFFAOYSA-N -1 3 355.442 2.840 20 30 FFEDHM C=C(Cl)CNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735402389 599389918 /nfs/dbraw/zinc/38/99/18/599389918.db2.gz UEQTWTLTKRSWCE-UHFFFAOYSA-N -1 3 359.773 2.521 20 30 FFEDHM C=C(Cl)CNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735402389 599389923 /nfs/dbraw/zinc/38/99/23/599389923.db2.gz UEQTWTLTKRSWCE-UHFFFAOYSA-N -1 3 359.773 2.521 20 30 FFEDHM N#Cc1ccc(Cl)cc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737717489 599426439 /nfs/dbraw/zinc/42/64/39/599426439.db2.gz DLSBRABILMIGNG-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM N#Cc1ccc(Cl)cc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737717489 599426441 /nfs/dbraw/zinc/42/64/41/599426441.db2.gz DLSBRABILMIGNG-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM c1cc2c(ccnc2N=NCc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000735400602 599457363 /nfs/dbraw/zinc/45/73/63/599457363.db2.gz SQHVJSLOPYMGGS-UHFFFAOYSA-N -1 3 361.394 2.570 20 30 FFEDHM c1cc2c(ccnc2N=NCc2cnc3ccc(-c4nn[n-]n4)cn23)s1 ZINC000735400602 599457365 /nfs/dbraw/zinc/45/73/65/599457365.db2.gz SQHVJSLOPYMGGS-UHFFFAOYSA-N -1 3 361.394 2.570 20 30 FFEDHM C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820391424 599537353 /nfs/dbraw/zinc/53/73/53/599537353.db2.gz PRTVXXZSXOBPGS-CYBMUJFWSA-N -1 3 371.404 2.836 20 30 FFEDHM C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820391424 599537355 /nfs/dbraw/zinc/53/73/55/599537355.db2.gz PRTVXXZSXOBPGS-CYBMUJFWSA-N -1 3 371.404 2.836 20 30 FFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735689828 599569014 /nfs/dbraw/zinc/56/90/14/599569014.db2.gz CAVGDECKNNGDQF-KRWDZBQOSA-N -1 3 361.409 2.888 20 30 FFEDHM N#CC(C(=O)CCCNC(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000739075352 599798267 /nfs/dbraw/zinc/79/82/67/599798267.db2.gz RVPIBCROMHMFAZ-LLVKDONJSA-N -1 3 371.365 2.696 20 30 FFEDHM N#Cc1cc(F)ccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826384147 607394953 /nfs/dbraw/zinc/39/49/53/607394953.db2.gz IQIYPJAVYNHUTG-UHFFFAOYSA-N -1 3 363.356 2.688 20 30 FFEDHM N#Cc1cc(F)ccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826384147 607394955 /nfs/dbraw/zinc/39/49/55/607394955.db2.gz IQIYPJAVYNHUTG-UHFFFAOYSA-N -1 3 363.356 2.688 20 30 FFEDHM C#CCOc1ccc(Br)cc1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736076681 599859832 /nfs/dbraw/zinc/85/98/32/599859832.db2.gz SJQZDXCFGAYPAO-CQSZACIVSA-N -1 3 367.243 2.693 20 30 FFEDHM N#Cc1ccc([C@@H](NCc2ccc(C(=O)N3CCCC3)cc2)C(=O)[O-])cc1 ZINC000739106133 600592653 /nfs/dbraw/zinc/59/26/53/600592653.db2.gz KTDYPPNFDOYUTN-LJQANCHMSA-N -1 3 363.417 2.710 20 30 FFEDHM N#Cc1cccc([C@H](NCc2ccc(Cn3ccccc3=O)cc2)C(=O)[O-])c1 ZINC000833076802 601302441 /nfs/dbraw/zinc/30/24/41/601302441.db2.gz ZDLALQOIZJYWHQ-NRFANRHFSA-N -1 3 373.412 2.684 20 30 FFEDHM CCOc1c(OC)cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000830026723 601302954 /nfs/dbraw/zinc/30/29/54/601302954.db2.gz ASCKNLYESZGZCO-GOSISDBHSA-N -1 3 370.405 2.890 20 30 FFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000833074137 601318168 /nfs/dbraw/zinc/31/81/68/601318168.db2.gz PVBRYGRDUUZEIA-FQEVSTJZSA-N -1 3 369.465 2.845 20 30 FFEDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000826045422 601655367 /nfs/dbraw/zinc/65/53/67/601655367.db2.gz TVVQHSUJFVBDPB-UZLBHIALSA-N -1 3 365.433 2.985 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CC1 ZINC000738485829 602608962 /nfs/dbraw/zinc/60/89/62/602608962.db2.gz TZFYEJBDSXQWHD-UHFFFAOYSA-N -1 3 372.469 2.885 20 30 FFEDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccccc1Cl ZINC000826413026 607603355 /nfs/dbraw/zinc/60/33/55/607603355.db2.gz NMVHYIPQRIXUNW-UHFFFAOYSA-N -1 3 367.796 2.527 20 30 FFEDHM CN(C[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1)C(=O)[O-] ZINC000828218262 603579411 /nfs/dbraw/zinc/57/94/11/603579411.db2.gz IGYDSRHMSBZMLK-CHWSQXEVSA-N -1 3 372.450 2.547 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(C)=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826180499 607652455 /nfs/dbraw/zinc/65/24/55/607652455.db2.gz KBTKCLVPSMLWQG-UHFFFAOYSA-N -1 3 365.397 2.670 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000827590145 604220950 /nfs/dbraw/zinc/22/09/50/604220950.db2.gz XVSWRVGLXWTVNX-FVQBIDKESA-N -1 3 357.410 2.723 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000831065839 604223179 /nfs/dbraw/zinc/22/31/79/604223179.db2.gz SJZHRDJKLUAYDJ-DZKIICNBSA-N -1 3 365.389 2.923 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000826245923 607687915 /nfs/dbraw/zinc/68/79/15/607687915.db2.gz MJESGSJSYBTIBN-HXUWFJFHSA-N -1 3 360.421 2.820 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000826245923 607687917 /nfs/dbraw/zinc/68/79/17/607687917.db2.gz MJESGSJSYBTIBN-HXUWFJFHSA-N -1 3 360.421 2.820 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(OC)cs1 ZINC000819745931 606121258 /nfs/dbraw/zinc/12/12/58/606121258.db2.gz VICWNYXLLYYVBP-UHFFFAOYSA-N -1 3 355.423 2.765 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(OC)cs1 ZINC000819745931 606121259 /nfs/dbraw/zinc/12/12/59/606121259.db2.gz VICWNYXLLYYVBP-UHFFFAOYSA-N -1 3 355.423 2.765 20 30 FFEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000819709639 606244464 /nfs/dbraw/zinc/24/44/64/606244464.db2.gz NJLPVAVALJTNLD-UHFFFAOYSA-N -1 3 372.388 2.627 20 30 FFEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000819709639 606244465 /nfs/dbraw/zinc/24/44/65/606244465.db2.gz NJLPVAVALJTNLD-UHFFFAOYSA-N -1 3 372.388 2.627 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](Sc2ccccc2-c2nnn[n-]2)C1=O ZINC000822842596 606313193 /nfs/dbraw/zinc/31/31/93/606313193.db2.gz PPMFKVRCHWCCEQ-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](Sc2ccccc2-c2nn[n-]n2)C1=O ZINC000822842596 606313194 /nfs/dbraw/zinc/31/31/94/606313194.db2.gz PPMFKVRCHWCCEQ-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820534700 606344704 /nfs/dbraw/zinc/34/47/04/606344704.db2.gz NEGHAFZEBNGRRO-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820534700 606344707 /nfs/dbraw/zinc/34/47/07/606344707.db2.gz NEGHAFZEBNGRRO-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820380710 606355659 /nfs/dbraw/zinc/35/56/59/606355659.db2.gz YZFSPHVKLCVXPH-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820380710 606355660 /nfs/dbraw/zinc/35/56/60/606355660.db2.gz YZFSPHVKLCVXPH-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822215323 606369067 /nfs/dbraw/zinc/36/90/67/606369067.db2.gz VYVQZJRNDUWDAJ-UHFFFAOYSA-N -1 3 368.451 2.666 20 30 FFEDHM Cc1ccc(F)c(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822239985 606370824 /nfs/dbraw/zinc/37/08/24/606370824.db2.gz NFLJECHAJQGCKO-UHFFFAOYSA-N -1 3 361.431 2.696 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821692930 606390327 /nfs/dbraw/zinc/39/03/27/606390327.db2.gz JZTFVNNKMKWXSU-SOFGYWHQSA-N -1 3 356.407 2.850 20 30 FFEDHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000821860216 606604588 /nfs/dbraw/zinc/60/45/88/606604588.db2.gz YOALAVLRNRAVHY-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000821860216 606604589 /nfs/dbraw/zinc/60/45/89/606604589.db2.gz YOALAVLRNRAVHY-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(Cl)ccc1C#N ZINC000821701975 606783464 /nfs/dbraw/zinc/78/34/64/606783464.db2.gz CABCUWOTNBPBRJ-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(Cl)ccc1C#N ZINC000821701975 606783465 /nfs/dbraw/zinc/78/34/65/606783465.db2.gz CABCUWOTNBPBRJ-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c[nH]c2ncccc12 ZINC000819743586 606786599 /nfs/dbraw/zinc/78/65/99/606786599.db2.gz MQKUANPOMPCFKU-UHFFFAOYSA-N -1 3 373.420 2.500 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c[nH]c2ncccc12 ZINC000819743586 606786601 /nfs/dbraw/zinc/78/66/01/606786601.db2.gz MQKUANPOMPCFKU-UHFFFAOYSA-N -1 3 373.420 2.500 20 30 FFEDHM CCc1nnc(Sc2ccc(C#N)cc2F)c(-c2nnn[n-]2)c1CC ZINC000821547773 606938604 /nfs/dbraw/zinc/93/86/04/606938604.db2.gz BSGTUSCHTIJENX-UHFFFAOYSA-N -1 3 355.402 2.943 20 30 FFEDHM CCc1nnc(Sc2ccc(C#N)cc2F)c(-c2nn[n-]n2)c1CC ZINC000821547773 606938606 /nfs/dbraw/zinc/93/86/06/606938606.db2.gz BSGTUSCHTIJENX-UHFFFAOYSA-N -1 3 355.402 2.943 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000819744055 606967642 /nfs/dbraw/zinc/96/76/42/606967642.db2.gz UUWYRLKYZJVXQV-CQSZACIVSA-N -1 3 362.384 2.752 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000819744055 606967644 /nfs/dbraw/zinc/96/76/44/606967644.db2.gz UUWYRLKYZJVXQV-CQSZACIVSA-N -1 3 362.384 2.752 20 30 FFEDHM COc1ccsc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000821911089 606977127 /nfs/dbraw/zinc/97/71/27/606977127.db2.gz MNKQSLUFKKNBNY-WAYWQWQTSA-N -1 3 355.423 2.889 20 30 FFEDHM COc1ccsc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000821911089 606977129 /nfs/dbraw/zinc/97/71/29/606977129.db2.gz MNKQSLUFKKNBNY-WAYWQWQTSA-N -1 3 355.423 2.889 20 30 FFEDHM COc1ccc(C=NNCc2cnc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000821787633 606993866 /nfs/dbraw/zinc/99/38/66/606993866.db2.gz WOVTYJKWHGQONZ-UHFFFAOYSA-N -1 3 359.393 2.547 20 30 FFEDHM COc1ccc(C=NNCc2cnc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000821787633 606993868 /nfs/dbraw/zinc/99/38/68/606993868.db2.gz WOVTYJKWHGQONZ-UHFFFAOYSA-N -1 3 359.393 2.547 20 30 FFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1C#N ZINC000821128496 607042960 /nfs/dbraw/zinc/04/29/60/607042960.db2.gz VOYDOXPGTLXBFW-UHFFFAOYSA-N -1 3 353.411 2.874 20 30 FFEDHM COc1ccccc1N1CCC(N=Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821898422 607147282 /nfs/dbraw/zinc/14/72/82/607147282.db2.gz OIUGRZYJJMXBOO-UHFFFAOYSA-N -1 3 363.425 2.944 20 30 FFEDHM COc1ccccc1N1CCC(N=Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821898422 607147284 /nfs/dbraw/zinc/14/72/84/607147284.db2.gz OIUGRZYJJMXBOO-UHFFFAOYSA-N -1 3 363.425 2.944 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821720233 607150891 /nfs/dbraw/zinc/15/08/91/607150891.db2.gz PPIUHWRSKLLMNY-VMPITWQZSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821720233 607150892 /nfs/dbraw/zinc/15/08/92/607150892.db2.gz PPIUHWRSKLLMNY-VMPITWQZSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821719402 607151040 /nfs/dbraw/zinc/15/10/40/607151040.db2.gz DJIMALOKWBVDLR-HWKANZROSA-N -1 3 360.370 2.981 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000819709592 607188837 /nfs/dbraw/zinc/18/88/37/607188837.db2.gz LDKYXASXOPJDTP-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000819709592 607188838 /nfs/dbraw/zinc/18/88/38/607188838.db2.gz LDKYXASXOPJDTP-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825492567 607782310 /nfs/dbraw/zinc/78/23/10/607782310.db2.gz GTXMSUZYXDBZCW-LLVKDONJSA-N -1 3 364.356 2.633 20 30 FFEDHM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825492567 607782311 /nfs/dbraw/zinc/78/23/11/607782311.db2.gz GTXMSUZYXDBZCW-LLVKDONJSA-N -1 3 364.356 2.633 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)ccc21 ZINC000826010858 607843047 /nfs/dbraw/zinc/84/30/47/607843047.db2.gz PZDOAPXPEPHMAY-GQCTYLIASA-N -1 3 365.418 2.733 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)ccc21 ZINC000826010858 607843048 /nfs/dbraw/zinc/84/30/48/607843048.db2.gz PZDOAPXPEPHMAY-GQCTYLIASA-N -1 3 365.418 2.733 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823873207 607881776 /nfs/dbraw/zinc/88/17/76/607881776.db2.gz KAMSAYWGCRTNJW-QGZVFWFLSA-N -1 3 357.458 2.977 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873207 607881777 /nfs/dbraw/zinc/88/17/77/607881777.db2.gz KAMSAYWGCRTNJW-QGZVFWFLSA-N -1 3 357.458 2.977 20 30 FFEDHM C#CC[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838586 607940424 /nfs/dbraw/zinc/94/04/24/607940424.db2.gz RRSSALXMTKPBGI-SFHVURJKSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CC[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838586 607940425 /nfs/dbraw/zinc/94/04/25/607940425.db2.gz RRSSALXMTKPBGI-SFHVURJKSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837836 607956135 /nfs/dbraw/zinc/95/61/35/607956135.db2.gz HBFKTRWONMTNTO-KBXCAEBGSA-N -1 3 361.405 2.515 20 30 FFEDHM C=C[C@H](CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883664 607981158 /nfs/dbraw/zinc/98/11/58/607981158.db2.gz WYIBPQNFEHESFV-CQSZACIVSA-N -1 3 362.389 2.953 20 30 FFEDHM C=C[C@H](CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883664 607981159 /nfs/dbraw/zinc/98/11/59/607981159.db2.gz WYIBPQNFEHESFV-CQSZACIVSA-N -1 3 362.389 2.953 20 30 FFEDHM N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000826382667 608000525 /nfs/dbraw/zinc/00/05/25/608000525.db2.gz PNVWYBCQMAMOFO-UHFFFAOYSA-N -1 3 350.407 2.735 20 30 FFEDHM N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000826382667 608000526 /nfs/dbraw/zinc/00/05/26/608000526.db2.gz PNVWYBCQMAMOFO-UHFFFAOYSA-N -1 3 350.407 2.735 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)c1 ZINC000826386947 608052411 /nfs/dbraw/zinc/05/24/11/608052411.db2.gz ZGTRYKBCXFFRBY-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)c1 ZINC000826386947 608052412 /nfs/dbraw/zinc/05/24/12/608052412.db2.gz ZGTRYKBCXFFRBY-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386422 608053309 /nfs/dbraw/zinc/05/33/09/608053309.db2.gz DBILBOULTXNBGE-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386422 608053310 /nfs/dbraw/zinc/05/33/10/608053310.db2.gz DBILBOULTXNBGE-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1-c1nnn[n-]1 ZINC000826385375 608158155 /nfs/dbraw/zinc/15/81/55/608158155.db2.gz JGFJVCQAAXCQFZ-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1-c1nn[n-]n1 ZINC000826385375 608158158 /nfs/dbraw/zinc/15/81/58/608158158.db2.gz JGFJVCQAAXCQFZ-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824184021 608204951 /nfs/dbraw/zinc/20/49/51/608204951.db2.gz BRMLSSPNMVMBEC-OAHLLOKOSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824184021 608204952 /nfs/dbraw/zinc/20/49/52/608204952.db2.gz BRMLSSPNMVMBEC-OAHLLOKOSA-N -1 3 364.862 2.667 20 30 FFEDHM C=CCN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1 ZINC000823903665 608249583 /nfs/dbraw/zinc/24/95/83/608249583.db2.gz GWCOKXIXKRFRFB-UHFFFAOYSA-N -1 3 365.393 2.829 20 30 FFEDHM C=CCN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1 ZINC000823903665 608249584 /nfs/dbraw/zinc/24/95/84/608249584.db2.gz GWCOKXIXKRFRFB-UHFFFAOYSA-N -1 3 365.393 2.829 20 30 FFEDHM N#C[C@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1cccs1 ZINC000826379175 608276502 /nfs/dbraw/zinc/27/65/02/608276502.db2.gz KZKPUOUKJQAFIK-SBDDDAINSA-N -1 3 365.418 2.867 20 30 FFEDHM N#C[C@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1cccs1 ZINC000826379175 608276503 /nfs/dbraw/zinc/27/65/03/608276503.db2.gz KZKPUOUKJQAFIK-SBDDDAINSA-N -1 3 365.418 2.867 20 30 FFEDHM C#CCCCCC(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000823841896 608322996 /nfs/dbraw/zinc/32/29/96/608322996.db2.gz UJZGBGZQCRFNHW-UHFFFAOYSA-N -1 3 364.409 2.598 20 30 FFEDHM COc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCO2 ZINC000826212432 608536206 /nfs/dbraw/zinc/53/62/06/608536206.db2.gz QIIFEKQZCXPDLA-UHFFFAOYSA-N -1 3 371.788 2.522 20 30 FFEDHM COc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCO2 ZINC000826212432 608536207 /nfs/dbraw/zinc/53/62/07/608536207.db2.gz QIIFEKQZCXPDLA-UHFFFAOYSA-N -1 3 371.788 2.522 20 30 FFEDHM Cn1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc21 ZINC000826360423 608537994 /nfs/dbraw/zinc/53/79/94/608537994.db2.gz JTTGOLNPOWZZPK-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM Cn1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc21 ZINC000826360423 608537995 /nfs/dbraw/zinc/53/79/95/608537995.db2.gz JTTGOLNPOWZZPK-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2nccc3ccccc32)n1 ZINC000826350797 608538000 /nfs/dbraw/zinc/53/80/00/608538000.db2.gz LQLOBAFLHBEBCU-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2nccc3ccccc32)n1 ZINC000826350797 608538001 /nfs/dbraw/zinc/53/80/01/608538001.db2.gz LQLOBAFLHBEBCU-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM C#CCCCCCC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823841026 609150646 /nfs/dbraw/zinc/15/06/46/609150646.db2.gz HXJANIKDCAYRES-UHFFFAOYSA-N -1 3 366.469 2.535 20 30 FFEDHM C#CCCCCCC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823841026 609150647 /nfs/dbraw/zinc/15/06/47/609150647.db2.gz HXJANIKDCAYRES-UHFFFAOYSA-N -1 3 366.469 2.535 20 30 FFEDHM N#CCc1ccccc1CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826382808 609163003 /nfs/dbraw/zinc/16/30/03/609163003.db2.gz VZWPRKVXIWHKEB-UHFFFAOYSA-N -1 3 372.432 2.666 20 30 FFEDHM N#CCc1ccccc1CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826382808 609163005 /nfs/dbraw/zinc/16/30/05/609163005.db2.gz VZWPRKVXIWHKEB-UHFFFAOYSA-N -1 3 372.432 2.666 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)cc2)CC1 ZINC000826380559 609246689 /nfs/dbraw/zinc/24/66/89/609246689.db2.gz FHGUFINFXALZQA-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)cc2)CC1 ZINC000826380559 609246690 /nfs/dbraw/zinc/24/66/90/609246690.db2.gz FHGUFINFXALZQA-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM CC(N=Nc1ncnc2sccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823961938 609276025 /nfs/dbraw/zinc/27/60/25/609276025.db2.gz CGFCVBMIRAQOBB-UHFFFAOYSA-N -1 3 354.374 2.847 20 30 FFEDHM N#Cc1cccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826386767 609279412 /nfs/dbraw/zinc/27/94/12/609279412.db2.gz RZSHRNANCSCFIB-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM C#CCOc1cccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000823861878 609299504 /nfs/dbraw/zinc/29/95/04/609299504.db2.gz SEXQUQHYMYDFTA-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C#CCOc1cccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000823861878 609299505 /nfs/dbraw/zinc/29/95/05/609299505.db2.gz SEXQUQHYMYDFTA-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM Cc1nnc(SCCCOc2cccc(C#N)c2)c(-c2nnn[n-]2)c1C ZINC000826336899 609305916 /nfs/dbraw/zinc/30/59/16/609305916.db2.gz TUVBXASBHGPHPC-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM Cc1nnc(SCCCOc2cccc(C#N)c2)c(-c2nn[n-]n2)c1C ZINC000826336899 609305918 /nfs/dbraw/zinc/30/59/18/609305918.db2.gz TUVBXASBHGPHPC-UHFFFAOYSA-N -1 3 367.438 2.706 20 30 FFEDHM Cn1cc(C=CC(=O)c2cscn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359940 609309834 /nfs/dbraw/zinc/30/98/34/609309834.db2.gz TUYOQOMEWJFSPZ-VOTSOKGWSA-N -1 3 363.406 2.620 20 30 FFEDHM Cn1cc(C=CC(=O)c2cscn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359940 609309835 /nfs/dbraw/zinc/30/98/35/609309835.db2.gz TUYOQOMEWJFSPZ-VOTSOKGWSA-N -1 3 363.406 2.620 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824034777 609512290 /nfs/dbraw/zinc/51/22/90/609512290.db2.gz PBMFJXYNSYCZQI-CYBMUJFWSA-N -1 3 350.382 2.648 20 30 FFEDHM N#CCc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826382777 609614727 /nfs/dbraw/zinc/61/47/27/609614727.db2.gz UMJWWCGZOFNEOR-UHFFFAOYSA-N -1 3 353.769 2.943 20 30 FFEDHM N#CCc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826382777 609614729 /nfs/dbraw/zinc/61/47/29/609614729.db2.gz UMJWWCGZOFNEOR-UHFFFAOYSA-N -1 3 353.769 2.943 20 30 FFEDHM N#Cc1cc(Cl)ccc1COC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826383876 609616345 /nfs/dbraw/zinc/61/63/45/609616345.db2.gz VSXNEXPIFUGFOC-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c1 ZINC000743344057 735290678 /nfs/dbraw/zinc/29/06/78/735290678.db2.gz MZPYRHADGAYJPR-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM C#Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]CC=C)c2)c1 ZINC000029080403 727891174 /nfs/dbraw/zinc/89/11/74/727891174.db2.gz UBCTWWXZPQDOFN-UHFFFAOYSA-N -1 3 358.394 2.524 20 30 FFEDHM CC(=O)[C@@H]1CC(C([O-])=C(C#N)c2nc(C)cs2)=NN1c1ccccc1 ZINC000073087283 728217482 /nfs/dbraw/zinc/21/74/82/728217482.db2.gz OADZWHXUOXIZCZ-HOCLYGCPSA-N -1 3 352.419 2.852 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1F ZINC000103025553 728493787 /nfs/dbraw/zinc/49/37/87/728493787.db2.gz IFSGOFJXJLVYJQ-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163461575 728958454 /nfs/dbraw/zinc/95/84/54/728958454.db2.gz LOZQBGZCHFOSBO-UHFFFAOYSA-N -1 3 350.318 2.695 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)[C@H]2C)ccc1F ZINC000172661942 729030207 /nfs/dbraw/zinc/03/02/07/729030207.db2.gz TVKAVRLCKUHQMS-QWHCGFSZSA-N -1 3 354.447 2.551 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640297267 730140534 /nfs/dbraw/zinc/14/05/34/730140534.db2.gz BJLIDEFRLVQHRD-MWLCHTKSSA-N -1 3 366.771 2.623 20 30 FFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000859252043 730447115 /nfs/dbraw/zinc/44/71/15/730447115.db2.gz INXUNBANBKOBKV-UHFFFAOYSA-N -1 3 371.933 2.686 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000861827760 730644713 /nfs/dbraw/zinc/64/47/13/730644713.db2.gz LTAABIMFKYASDP-LLVKDONJSA-N -1 3 370.192 2.758 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC(C)(C)C=C)ccc1F ZINC000862397753 730697106 /nfs/dbraw/zinc/69/71/06/730697106.db2.gz WSIUVMFJMBBQMU-UHFFFAOYSA-N -1 3 354.447 2.622 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000862566095 730709523 /nfs/dbraw/zinc/70/95/23/730709523.db2.gz HWBPIACBJGZYCZ-NSHDSACASA-N -1 3 359.223 2.776 20 30 FFEDHM C[C@@H](C#N)OCCN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879468353 732706767 /nfs/dbraw/zinc/70/67/67/732706767.db2.gz RYJGNHXNFFGBCS-STQMWFEESA-N -1 3 355.360 2.587 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000882644936 733263960 /nfs/dbraw/zinc/26/39/60/733263960.db2.gz SLOBSXNEZBEJTM-WXRRBKDZSA-N -1 3 371.421 2.925 20 30 FFEDHM C[S@@](=O)(=NS(=O)(=O)[N-]c1ccc(CC#N)cc1)C1CCCCC1 ZINC000882676501 733268399 /nfs/dbraw/zinc/26/83/99/733268399.db2.gz LUIOYVVDBLLJCV-QFIPXVFZSA-N -1 3 355.485 2.840 20 30 FFEDHM C=CCC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000883215420 733351712 /nfs/dbraw/zinc/35/17/12/733351712.db2.gz YKFOSYKLYSXGFU-PBHICJAKSA-N -1 3 354.472 2.992 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(C)C ZINC000726360993 734420878 /nfs/dbraw/zinc/42/08/78/734420878.db2.gz YUJDWKGVYLINSP-AWEZNQCLSA-N -1 3 366.483 2.873 20 30 FFEDHM CCc1cccc(C)c1NC(=S)NN=Cc1c([O-])c(C)ncc1CO ZINC000730574509 734641647 /nfs/dbraw/zinc/64/16/47/734641647.db2.gz QKFDTRYAWUNHOG-UHFFFAOYSA-N -1 3 358.467 2.779 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccncc1 ZINC000734505189 734900995 /nfs/dbraw/zinc/90/09/95/734900995.db2.gz ZWPKPPFCANNSCA-AWEZNQCLSA-N -1 3 363.395 2.594 20 30 FFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1 ZINC000742328794 735228219 /nfs/dbraw/zinc/22/82/19/735228219.db2.gz ZTZIKFSLESLYCW-UHFFFAOYSA-N -1 3 370.818 2.538 20 30 FFEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NO)c(Cl)cc1Cl ZINC000742824099 735257647 /nfs/dbraw/zinc/25/76/47/735257647.db2.gz OIQPRYBHHZUQKP-SSDOTTSWSA-N -1 3 355.243 2.579 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(F)c3C#N)CCC2)n1 ZINC000751462283 735881180 /nfs/dbraw/zinc/88/11/80/735881180.db2.gz JFJAVBCEMACBFJ-UHFFFAOYSA-N -1 3 351.428 2.820 20 30 FFEDHM COCCn1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ccc1=O ZINC000904182585 736231045 /nfs/dbraw/zinc/23/10/45/736231045.db2.gz IPEGPKAHKMKQSS-UHFFFAOYSA-N -1 3 371.220 2.833 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccncc2)ccc1F ZINC000757688150 736419436 /nfs/dbraw/zinc/41/94/36/736419436.db2.gz WFPBVTJNBAYICC-GFCCVEGCSA-N -1 3 364.398 2.603 20 30 FFEDHM O=[N+]([O-])c1cccnc1N=NCc1cc(O)c([O-])c(Br)c1 ZINC000759206581 736554708 /nfs/dbraw/zinc/55/47/08/736554708.db2.gz NOKMSXBFEVWORQ-UHFFFAOYSA-N -1 3 353.132 2.610 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@H](C#N)Cc2ccccc2)cc1 ZINC000759424038 736567738 /nfs/dbraw/zinc/56/77/38/736567738.db2.gz OBQJWFKNSLCNKH-HNNXBMFYSA-N -1 3 358.419 2.597 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000909046622 736876433 /nfs/dbraw/zinc/87/64/33/736876433.db2.gz BLICXVHZAAVIRY-MNOVXSKESA-N -1 3 353.444 2.954 20 30 FFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000770390451 737621592 /nfs/dbraw/zinc/62/15/92/737621592.db2.gz NHMKKMRTOYPHNK-VIFPVBQESA-N -1 3 364.250 2.860 20 30 FFEDHM C=C(CC)COC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773431578 737905780 /nfs/dbraw/zinc/90/57/80/737905780.db2.gz YUULSWAALJLYKO-HNNXBMFYSA-N -1 3 364.467 2.649 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)[C@@H](C)C(C)C)ccc1F ZINC000921293974 737957705 /nfs/dbraw/zinc/95/77/05/737957705.db2.gz BEZIQJIPPCHPOM-ZDUSSCGKSA-N -1 3 356.463 2.797 20 30 FFEDHM C=C[C@H](CC)OC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000776105419 738161876 /nfs/dbraw/zinc/16/18/76/738161876.db2.gz WTTDGRRFFYMYTI-UKRRQHHQSA-N -1 3 364.467 2.648 20 30 FFEDHM COc1cc(Br)ccc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000777401169 738286184 /nfs/dbraw/zinc/28/61/84/738286184.db2.gz LCVAHHZZVACLAF-QGMBQPNBSA-N -1 3 365.227 2.978 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1F ZINC000789689198 739380603 /nfs/dbraw/zinc/38/06/03/739380603.db2.gz SBTXEIANBURGQO-MGPQQGTHSA-N -1 3 368.474 2.797 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000795565981 740038367 /nfs/dbraw/zinc/03/83/67/740038367.db2.gz GOBFEHWQAPKRHM-SJCJKPOMSA-N -1 3 368.430 2.753 20 30 FFEDHM C=C(C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000797826912 740277131 /nfs/dbraw/zinc/27/71/31/740277131.db2.gz NXOFOQPHBDWDKV-OAHLLOKOSA-N -1 3 358.891 2.506 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CCc2cc(Cl)c3c(c2)OCCO3)c1[O-] ZINC000798068368 740301719 /nfs/dbraw/zinc/30/17/19/740301719.db2.gz IWDWYUKCVOVBHM-UKWGHVSLSA-N -1 3 362.813 2.674 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](NCc2c([O-])cccc2Cl)[C@@H](C#N)C1 ZINC000798274347 740318928 /nfs/dbraw/zinc/31/89/28/740318928.db2.gz CPTXVUAGTNNVOR-FZMZJTMJSA-N -1 3 351.834 2.894 20 30 FFEDHM Cn1ncc2c1nc(N=NC1CCc3ccc(Br)cc31)[n-]c2=O ZINC000800812625 740550475 /nfs/dbraw/zinc/55/04/75/740550475.db2.gz IJZFVSCGRGPKKT-UHFFFAOYSA-N -1 3 373.214 2.594 20 30 FFEDHM CC(C)[C@H](C#N)[N-]C(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000804781765 740904314 /nfs/dbraw/zinc/90/43/14/740904314.db2.gz JXPXZIBKFZMHLA-ZDUSSCGKSA-N -1 3 359.417 2.933 20 30 FFEDHM CCCC[C@H](C)N(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000812381104 741615988 /nfs/dbraw/zinc/61/59/88/741615988.db2.gz OGARISRVGXQJQY-KGLIPLIRSA-N -1 3 365.499 2.541 20 30 FFEDHM C=CCC(C)(C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000814003860 741780931 /nfs/dbraw/zinc/78/09/31/741780931.db2.gz ULGFYHAWURNMTO-ZDUSSCGKSA-N -1 3 364.467 2.649 20 30 FFEDHM COc1ccc(Cl)cc1C#CCOC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000815188973 741910202 /nfs/dbraw/zinc/91/02/02/741910202.db2.gz CSYHJTNFGBNCJP-UHFFFAOYSA-N -1 3 360.797 2.598 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000816507088 742036490 /nfs/dbraw/zinc/03/64/90/742036490.db2.gz VYYBCXSQUIPKMJ-UHFFFAOYSA-N -1 3 371.327 2.937 20 30 FFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nnc(OC)[n-]2)s1 ZINC000819454288 742393232 /nfs/dbraw/zinc/39/32/32/742393232.db2.gz HDEKMSIQMKTLTN-UHFFFAOYSA-N -1 3 359.864 2.604 20 30 FFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2n[n-]c(OC)n2)s1 ZINC000819454288 742393238 /nfs/dbraw/zinc/39/32/38/742393238.db2.gz HDEKMSIQMKTLTN-UHFFFAOYSA-N -1 3 359.864 2.604 20 30 FFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nc(OC)n[n-]2)s1 ZINC000819454288 742393242 /nfs/dbraw/zinc/39/32/42/742393242.db2.gz HDEKMSIQMKTLTN-UHFFFAOYSA-N -1 3 359.864 2.604 20 30 FFEDHM Fc1cccc2c1SCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822790928 742784693 /nfs/dbraw/zinc/78/46/93/742784693.db2.gz ABGQLWZSZYBWIB-UHFFFAOYSA-N -1 3 354.414 2.996 20 30 FFEDHM Fc1cccc2c1SCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822790928 742784694 /nfs/dbraw/zinc/78/46/94/742784694.db2.gz ABGQLWZSZYBWIB-UHFFFAOYSA-N -1 3 354.414 2.996 20 30 FFEDHM COc1cc(-c2noc([C@@H](N)CCCC#N)n2)cc(Br)c1[O-] ZINC000823074689 742827632 /nfs/dbraw/zinc/82/76/32/742827632.db2.gz GFKKQHWUVZVQFI-JTQLQIEISA-N -1 3 367.203 2.907 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c(Cl)cccc1C(=O)NO[C@H](C)C=C ZINC000824233538 743041203 /nfs/dbraw/zinc/04/12/03/743041203.db2.gz UAYFURDIXVJSEW-VXGBXAGGSA-N -1 3 352.818 2.741 20 30 FFEDHM N#Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)sc1Cl ZINC001055283749 745065425 /nfs/dbraw/zinc/06/54/25/745065425.db2.gz AEFPJIJATZITOC-XWIASGKRSA-N -1 3 374.853 2.913 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000830854993 745441495 /nfs/dbraw/zinc/44/14/95/745441495.db2.gz LAGKJKMAOBLALV-UHFFFAOYSA-N -1 3 351.653 2.579 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(CC)CCCC2)ccc1F ZINC000834308115 745814420 /nfs/dbraw/zinc/81/44/20/745814420.db2.gz ZSUICCZAFNNFDU-UHFFFAOYSA-N -1 3 354.447 2.743 20 30 FFEDHM COC(=O)c1sc(S(=O)(=O)[N-]CC(C)(C)CC#N)c(C)c1Cl ZINC000841542601 747390830 /nfs/dbraw/zinc/39/08/30/747390830.db2.gz LZJWULKHWOTNEP-UHFFFAOYSA-N -1 3 364.876 2.715 20 30 FFEDHM C=C(C)CO[N-]C(=O)CCOc1cccc(I)c1 ZINC000846534953 748498519 /nfs/dbraw/zinc/49/85/19/748498519.db2.gz KDRKBWODSLONMB-UHFFFAOYSA-N -1 3 361.179 2.684 20 30 FFEDHM Cc1cc(OCc2ccccc2)c(C(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000848131557 748850343 /nfs/dbraw/zinc/85/03/43/748850343.db2.gz IQDJPRSMEKENKI-AWEZNQCLSA-N -1 3 360.435 2.746 20 30 FFEDHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000848134606 748851282 /nfs/dbraw/zinc/85/12/82/748851282.db2.gz CDBMNKNUEWOWNV-ZDUSSCGKSA-N -1 3 373.236 2.843 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3c(C)cccn23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737432823 945066092 /nfs/dbraw/zinc/06/60/92/945066092.db2.gz CPOHKSVFFRYHQZ-FPLPWBNLSA-N -1 3 373.420 2.775 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3c(C)cccn23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737432823 945066101 /nfs/dbraw/zinc/06/61/01/945066101.db2.gz CPOHKSVFFRYHQZ-FPLPWBNLSA-N -1 3 373.420 2.775 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1-c1nnn[n-]1 ZINC000737715619 945114871 /nfs/dbraw/zinc/11/48/71/945114871.db2.gz CFYOTJWWALBMBL-UHFFFAOYSA-N -1 3 361.340 2.540 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1-c1nn[n-]n1 ZINC000737715619 945114874 /nfs/dbraw/zinc/11/48/74/945114874.db2.gz CFYOTJWWALBMBL-UHFFFAOYSA-N -1 3 361.340 2.540 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735425686 944647273 /nfs/dbraw/zinc/64/72/73/944647273.db2.gz DLJSFWYMOTUJAH-UHFFFAOYSA-N -1 3 372.429 2.965 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735425686 944647278 /nfs/dbraw/zinc/64/72/78/944647278.db2.gz DLJSFWYMOTUJAH-UHFFFAOYSA-N -1 3 372.429 2.965 20 30 FFEDHM COc1ccc(C2(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CCC2)cc1 ZINC000737078134 944947990 /nfs/dbraw/zinc/94/79/90/944947990.db2.gz UKGXGHWODHBODU-UHFFFAOYSA-N -1 3 374.404 2.807 20 30 FFEDHM COc1ccc(C2(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CCC2)cc1 ZINC000737078134 944947994 /nfs/dbraw/zinc/94/79/94/944947994.db2.gz UKGXGHWODHBODU-UHFFFAOYSA-N -1 3 374.404 2.807 20 30 FFEDHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000825115023 947083331 /nfs/dbraw/zinc/08/33/31/947083331.db2.gz SQPARWNRZFANCX-UHFFFAOYSA-N -1 3 364.413 2.857 20 30 FFEDHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825115023 947083340 /nfs/dbraw/zinc/08/33/40/947083340.db2.gz SQPARWNRZFANCX-UHFFFAOYSA-N -1 3 364.413 2.857 20 30 FFEDHM C=C(C)CCC(=O)N(CC)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573299267 947091373 /nfs/dbraw/zinc/09/13/73/947091373.db2.gz JNWOOCHJNDMXFL-UHFFFAOYSA-N -1 3 363.853 2.532 20 30 FFEDHM C=C(C)CCC(=O)N(CC)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573299267 947091384 /nfs/dbraw/zinc/09/13/84/947091384.db2.gz JNWOOCHJNDMXFL-UHFFFAOYSA-N -1 3 363.853 2.532 20 30 FFEDHM C=CCCCC(=O)N1CCC(CC)(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573334696 947462135 /nfs/dbraw/zinc/46/21/35/947462135.db2.gz QOOWYAHOLRFCLH-UHFFFAOYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=CCCCC(=O)N1CCC(CC)(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573334696 947462140 /nfs/dbraw/zinc/46/21/40/947462140.db2.gz QOOWYAHOLRFCLH-UHFFFAOYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCC1CC1 ZINC001573340866 947520578 /nfs/dbraw/zinc/52/05/78/947520578.db2.gz BWUXTNINXISQRQ-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCC1CC1 ZINC001573340866 947520589 /nfs/dbraw/zinc/52/05/89/947520589.db2.gz BWUXTNINXISQRQ-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM COc1cc(OC)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826181055 947561594 /nfs/dbraw/zinc/56/15/94/947561594.db2.gz JGGLTPUIXYXTLQ-BQYQJAHWSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1cc(OC)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826181055 947561604 /nfs/dbraw/zinc/56/16/04/947561604.db2.gz JGGLTPUIXYXTLQ-BQYQJAHWSA-N -1 3 366.377 2.789 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001573348759 947585900 /nfs/dbraw/zinc/58/59/00/947585900.db2.gz VDXVXJSXEOJPEM-STQMWFEESA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001573348759 947585906 /nfs/dbraw/zinc/58/59/06/947585906.db2.gz VDXVXJSXEOJPEM-STQMWFEESA-N -1 3 350.430 2.546 20 30 FFEDHM O=C1C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)COc2c(F)ccc(F)c21 ZINC000826475685 948377715 /nfs/dbraw/zinc/37/77/15/948377715.db2.gz NBRLRHJYEYPVJD-UITAMQMPSA-N -1 3 358.279 2.943 20 30 FFEDHM O=C1C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)COc2c(F)ccc(F)c21 ZINC000826475685 948377726 /nfs/dbraw/zinc/37/77/26/948377726.db2.gz NBRLRHJYEYPVJD-UITAMQMPSA-N -1 3 358.279 2.943 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCc2cc(F)ccn2)c(C)c1[O-] ZINC001175431713 1013479769 /nfs/dbraw/zinc/47/97/69/1013479769.db2.gz VNKQOHAKNSOPED-UHFFFAOYSA-N -1 3 371.368 2.854 20 30 FFEDHM C#CC(=O)N1CC[C@]2(CCC[C@H]2C(=O)Nc2nc3c(cccc3[O-])s2)C1 ZINC001269841290 964346583 /nfs/dbraw/zinc/34/65/83/964346583.db2.gz HBPJDQFDWVQWLA-HXPMCKFVSA-N -1 3 369.446 2.592 20 30 FFEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898732323 976649861 /nfs/dbraw/zinc/64/98/61/976649861.db2.gz KITDDSXJRPUTRW-LLVKDONJSA-N -1 3 369.343 2.512 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1ccc(Br)c(C#N)c1)C(F)F ZINC001211713923 977388422 /nfs/dbraw/zinc/38/84/22/977388422.db2.gz RHYFSOKNEUGWGM-UHFFFAOYSA-N -1 3 353.188 2.643 20 30 FFEDHM C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000893770676 977546945 /nfs/dbraw/zinc/54/69/45/977546945.db2.gz WQRNKCSPGIJTOB-DLBZAZTESA-N -1 3 367.453 2.768 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC001271915375 979268623 /nfs/dbraw/zinc/26/86/23/979268623.db2.gz OWHWJIUZWBHIDF-OAHLLOKOSA-N -1 3 362.857 2.980 20 30 FFEDHM N#CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913298954 984229352 /nfs/dbraw/zinc/22/93/52/984229352.db2.gz UUYNHUUMVLRZLQ-UHFFFAOYSA-N -1 3 350.334 2.531 20 30 FFEDHM N#CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913298954 984229356 /nfs/dbraw/zinc/22/93/56/984229356.db2.gz UUYNHUUMVLRZLQ-UHFFFAOYSA-N -1 3 350.334 2.531 20 30 FFEDHM C=C[C@H](CC(=O)Nc1c(C(=O)OC)c[n-]c1C(=O)OC)c1ccccc1 ZINC001128210475 987392207 /nfs/dbraw/zinc/39/22/07/987392207.db2.gz YJWQOKZRNCTTHI-GFCCVEGCSA-N -1 3 356.378 2.886 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](O)c1cccc(Cl)c1 ZINC000915090312 988221546 /nfs/dbraw/zinc/22/15/46/988221546.db2.gz FBJMOMMJVXQXCX-QGZVFWFLSA-N -1 3 373.840 2.712 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000922286088 988326427 /nfs/dbraw/zinc/32/64/27/988326427.db2.gz UCLIPXFVEDPSQV-BXUZGUMPSA-N -1 3 372.343 2.861 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2nn(-c3ccccc3)c3c2CCC3)c1[O-] ZINC000917559606 990239519 /nfs/dbraw/zinc/23/95/19/990239519.db2.gz QZWUFGHNQMSDGH-SSDVNMTOSA-N -1 3 362.433 2.881 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cccc(OCC(F)F)n2)c1 ZINC000127831450 1015580194 /nfs/dbraw/zinc/58/01/94/1015580194.db2.gz GEPSEQQLPYPYKX-ZDUSSCGKSA-N -1 3 359.332 2.995 20 30 FFEDHM COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)c3ccccc3[O-])C2)cc1C#N ZINC001079432727 992113638 /nfs/dbraw/zinc/11/36/38/992113638.db2.gz WLGJZDUJCBOYOG-RDTXWAMCSA-N -1 3 365.433 2.523 20 30 FFEDHM C=CC(C)(C)CC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000879814760 1015684669 /nfs/dbraw/zinc/68/46/69/1015684669.db2.gz KRBWFKDBXDVMTP-UHFFFAOYSA-N -1 3 356.426 2.867 20 30 FFEDHM C=CC(C)(C)CC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000879814760 1015684671 /nfs/dbraw/zinc/68/46/71/1015684671.db2.gz KRBWFKDBXDVMTP-UHFFFAOYSA-N -1 3 356.426 2.867 20 30 FFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC001593194230 994132618 /nfs/dbraw/zinc/13/26/18/994132618.db2.gz BRCXSVBPWIZVIJ-FZKQIMNGSA-N -1 3 365.389 2.991 20 30 FFEDHM CC(C)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccccc1F ZINC000811187809 995053520 /nfs/dbraw/zinc/05/35/20/995053520.db2.gz YNNYQWJMBMJTMQ-SFHVURJKSA-N -1 3 370.380 2.901 20 30 FFEDHM COc1ccc(C(C)N=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1O ZINC000811641902 995206732 /nfs/dbraw/zinc/20/67/32/995206732.db2.gz AXMXYTFPYJODAX-UHFFFAOYSA-N -1 3 370.413 2.837 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001084573857 996687952 /nfs/dbraw/zinc/68/79/52/996687952.db2.gz DPBTVZOEMHTSER-NVXWUHKLSA-N -1 3 370.497 2.695 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1Cc2ccccc2C(=O)O1 ZINC000845840626 998671709 /nfs/dbraw/zinc/67/17/09/998671709.db2.gz MXVLLBYLRJGWCC-ROUUACIJSA-N -1 3 359.381 2.778 20 30 FFEDHM N#CC(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)=C([O-])C1(c2ccccc2)CC1 ZINC000845840626 998671710 /nfs/dbraw/zinc/67/17/10/998671710.db2.gz MXVLLBYLRJGWCC-ROUUACIJSA-N -1 3 359.381 2.778 20 30 FFEDHM Cc1nnc2ccc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)cn12 ZINC000733680166 999045638 /nfs/dbraw/zinc/04/56/38/999045638.db2.gz WGGGUQPYRZMXLS-GFCCVEGCSA-N -1 3 371.759 2.791 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1Cc2cc(F)ccc2O1 ZINC000740595164 999678620 /nfs/dbraw/zinc/67/86/20/999678620.db2.gz WWHSLHXAOQQOKC-HNNXBMFYSA-N -1 3 370.380 2.894 20 30 FFEDHM COC(=O)Nc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1[O-] ZINC000745651388 999924130 /nfs/dbraw/zinc/92/41/30/999924130.db2.gz ZMFJSPSYFVETDD-UHFFFAOYSA-N -1 3 356.334 2.678 20 30 FFEDHM COc1cc(C=NN(C)C(=S)NCc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000767034974 1000097614 /nfs/dbraw/zinc/09/76/14/1000097614.db2.gz YJJARQITLUTBMF-UHFFFAOYSA-N -1 3 374.422 2.649 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cccc3cccnc23)cc1 ZINC000746492689 1000181608 /nfs/dbraw/zinc/18/16/08/1000181608.db2.gz VKCJWOISKBDOJS-UHFFFAOYSA-N -1 3 370.390 2.597 20 30 FFEDHM Cc1ccc(OC(F)F)c(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000769818701 1000599521 /nfs/dbraw/zinc/59/95/21/1000599521.db2.gz WFUYTNLYVVFWID-UHFFFAOYSA-N -1 3 362.340 2.815 20 30 FFEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772179602 1001312250 /nfs/dbraw/zinc/31/22/50/1001312250.db2.gz VRNYLBLNPJLBHQ-KRWDZBQOSA-N -1 3 353.334 2.509 20 30 FFEDHM COc1ccc(-c2nnc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c3ccccc32)cc1 ZINC001171362499 1001713986 /nfs/dbraw/zinc/71/39/86/1001713986.db2.gz FFRDEXLETYPZTB-SJCJKPOMSA-N -1 3 364.405 2.953 20 30 FFEDHM COc1cc2cc(Cl)nc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c2cc1OC ZINC001171362647 1001716965 /nfs/dbraw/zinc/71/69/65/1001716965.db2.gz KHDMVYUVPMHBMT-RTHLEPHNSA-N -1 3 351.790 2.553 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnc(C2(C)CC2)n1 ZINC000788123521 1001758262 /nfs/dbraw/zinc/75/82/62/1001758262.db2.gz JSRQDBVDJUCPQH-UHFFFAOYSA-N -1 3 351.410 2.689 20 30 FFEDHM N#C[C@]1([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCc2ccccc2C1 ZINC000788840900 1001891279 /nfs/dbraw/zinc/89/12/79/1001891279.db2.gz LCLVNJPCPJZCBG-FQEVSTJZSA-N -1 3 366.442 2.791 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(C#N)c(F)c2)c([O-])c1 ZINC000791359757 1002681061 /nfs/dbraw/zinc/68/10/61/1002681061.db2.gz NAWABXOUVLUOTG-UHFFFAOYSA-N -1 3 356.353 2.575 20 30 FFEDHM COc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1[N+](=O)[O-] ZINC000792121436 1002929623 /nfs/dbraw/zinc/92/96/23/1002929623.db2.gz ZESQPBSJVMWERS-UHFFFAOYSA-N -1 3 371.349 2.731 20 30 FFEDHM COCC#CC(=O)[N-]c1onc(-c2ccccc2)c1C(=O)OC(C)(C)C ZINC001187122856 1003574946 /nfs/dbraw/zinc/57/49/46/1003574946.db2.gz DMTYJQRAUMMKHV-UHFFFAOYSA-N -1 3 356.378 2.885 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)cc1 ZINC001191446022 1003831552 /nfs/dbraw/zinc/83/15/52/1003831552.db2.gz SXDBOTAHNPEPPF-UHFFFAOYSA-N -1 3 366.345 2.814 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)c1ccccc1 ZINC001196707616 1003922014 /nfs/dbraw/zinc/92/20/14/1003922014.db2.gz SRWBEHYVASLQMM-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)c2ccc(C#N)cc2C(F)(F)F)[n-]n1 ZINC001192077668 1004040346 /nfs/dbraw/zinc/04/03/46/1004040346.db2.gz QNICXFNGOKFIJN-UHFFFAOYSA-N -1 3 352.272 2.729 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)c2ccc(C#N)cc2C(F)(F)F)n[n-]1 ZINC001192077668 1004040355 /nfs/dbraw/zinc/04/03/55/1004040355.db2.gz QNICXFNGOKFIJN-UHFFFAOYSA-N -1 3 352.272 2.729 20 30 FFEDHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(-c2ccc(C#N)cc2)o1 ZINC001197388082 1004186975 /nfs/dbraw/zinc/18/69/75/1004186975.db2.gz TYLYWZKRAKNKRE-UHFFFAOYSA-N -1 3 350.334 2.970 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@H](c2ccc([N-]S(=O)(=O)CC#N)cc2)C1 ZINC001192981136 1004332826 /nfs/dbraw/zinc/33/28/26/1004332826.db2.gz XSZQLWWKBBSEMT-AWEZNQCLSA-N -1 3 365.455 2.676 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC001193149973 1004390661 /nfs/dbraw/zinc/39/06/61/1004390661.db2.gz UEJWWGJKXDZTHM-NSHDSACASA-N -1 3 351.815 2.968 20 30 FFEDHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)c1ccc(C#N)cc1 ZINC001198710581 1004724196 /nfs/dbraw/zinc/72/41/96/1004724196.db2.gz XFVHHRCWUCXMBR-UHFFFAOYSA-N -1 3 365.842 2.829 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnc(OC)cc2C)c(C)c1[O-] ZINC001199706963 1005009684 /nfs/dbraw/zinc/00/96/84/1005009684.db2.gz AWVASIKTIMINNQ-UHFFFAOYSA-N -1 3 369.377 2.713 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000102119422 1005021990 /nfs/dbraw/zinc/02/19/90/1005021990.db2.gz QNJURXRFACVGPO-AWEZNQCLSA-N -1 3 353.334 2.873 20 30 FFEDHM N#Cc1cccc(Br)c1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195796974 1005046075 /nfs/dbraw/zinc/04/60/75/1005046075.db2.gz UAVHJPZOENLVJE-UHFFFAOYSA-N -1 3 353.197 2.827 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000108250473 1005628502 /nfs/dbraw/zinc/62/85/02/1005628502.db2.gz PDRMKWAHNHFTHN-UHFFFAOYSA-N -1 3 370.430 2.626 20 30 FFEDHM CCOC(=O)n1nc2c(c1[N-]c1nccc(C#N)c1Cl)CNC2(C)C ZINC001170757681 1006400104 /nfs/dbraw/zinc/40/01/04/1006400104.db2.gz ZUUQLFPCZSUSDY-UHFFFAOYSA-N -1 3 360.805 2.890 20 30 FFEDHM CCCCCCCC[N-]S(=O)(=O)c1cnn(C)c1Br ZINC001188289666 1006482797 /nfs/dbraw/zinc/48/27/97/1006482797.db2.gz JBZBFUTUEQRHSD-UHFFFAOYSA-N -1 3 352.298 2.821 20 30 FFEDHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNc2ccc(F)cc2C#N)n1 ZINC000853975845 1006611421 /nfs/dbraw/zinc/61/14/21/1006611421.db2.gz IQLWQQZSTLVHGO-UHFFFAOYSA-N -1 3 373.388 2.830 20 30 FFEDHM N#CC1([N-]S(=O)(=O)CCc2ccc(Cl)cc2)Cc2ccccc2C1 ZINC001189134116 1006920805 /nfs/dbraw/zinc/92/08/05/1006920805.db2.gz USCSNQKCTKTYRN-UHFFFAOYSA-N -1 3 360.866 2.863 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1OCc1ccc(F)cc1 ZINC000816754782 1007192510 /nfs/dbraw/zinc/19/25/10/1007192510.db2.gz LLLSLWIYPONKLG-INIZCTEOSA-N -1 3 358.369 2.515 20 30 FFEDHM C=CCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000855380674 1007310266 /nfs/dbraw/zinc/31/02/66/1007310266.db2.gz GVZSMKVUNFIOHW-UHFFFAOYSA-N -1 3 363.266 2.740 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2cccnc21 ZINC000885375392 1007696341 /nfs/dbraw/zinc/69/63/41/1007696341.db2.gz FYFPBXTZEZVNCG-QGZVFWFLSA-N -1 3 350.422 2.797 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000113991973 1007714989 /nfs/dbraw/zinc/71/49/89/1007714989.db2.gz VMCMVWIBZIKMFL-AWEZNQCLSA-N -1 3 362.389 2.534 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC001190661535 1007722353 /nfs/dbraw/zinc/72/23/53/1007722353.db2.gz XOAJYKPKQHAEPD-XHDPSFHLSA-N -1 3 352.337 2.810 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)nc2)c1 ZINC001190660814 1007722513 /nfs/dbraw/zinc/72/25/13/1007722513.db2.gz BVQHYZZZHGDJOC-UHFFFAOYSA-N -1 3 373.331 2.632 20 30 FFEDHM CCCC[C@@](CC)([N-]S(=O)(=O)c1cc(C#N)ccc1F)C(=O)OCC ZINC001190669989 1007726243 /nfs/dbraw/zinc/72/62/43/1007726243.db2.gz DCYJLZJJEBUMQI-QGZVFWFLSA-N -1 3 370.446 2.878 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-]c2nc(Br)cnc2Cl)CC1 ZINC001190772606 1007777242 /nfs/dbraw/zinc/77/72/42/1007777242.db2.gz CWJOYVRRQMGUFY-UHFFFAOYSA-N -1 3 352.641 2.743 20 30 FFEDHM COc1ccc(F)c(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1F ZINC001190988713 1007861579 /nfs/dbraw/zinc/86/15/79/1007861579.db2.gz FGNAQEHKNAACRU-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM COc1ccc(N2CC[C@@H](C/N=C\c3c([O-])c(C)ncc3CO)C2)cc1 ZINC000818991420 1008002644 /nfs/dbraw/zinc/00/26/44/1008002644.db2.gz CYYSKUZZFNJMSW-SYZMQFJCSA-N -1 3 355.438 2.542 20 30 FFEDHM C#CC[C@H]1CCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000886360270 1008648596 /nfs/dbraw/zinc/64/85/96/1008648596.db2.gz SNGLEDHUOOYVNF-STQMWFEESA-N -1 3 373.478 2.876 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC001160179306 1008903286 /nfs/dbraw/zinc/90/32/86/1008903286.db2.gz WTSWAGZDACDCTJ-XNCJUZBTSA-N -1 3 359.682 2.629 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc([O-])c(C#N)c2)C[C@H](F)C1 ZINC001178887636 1009168319 /nfs/dbraw/zinc/16/83/19/1009168319.db2.gz JEAUIHXFICNUBL-OLZOCXBDSA-N -1 3 363.389 2.797 20 30 FFEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001274108642 1009398320 /nfs/dbraw/zinc/39/83/20/1009398320.db2.gz BYAVYRQIZYYCIV-HUUCEWRRSA-N -1 3 368.355 2.803 20 30 FFEDHM C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc([O-])c(C)c(F)c1)CC2 ZINC001274115486 1009416978 /nfs/dbraw/zinc/41/69/78/1009416978.db2.gz HNJJDMLWENZRAW-UHFFFAOYSA-N -1 3 360.429 2.871 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1cc([O-])c(C)c(F)c1)CC2 ZINC001274115471 1009417491 /nfs/dbraw/zinc/41/74/91/1009417491.db2.gz HCYAAAZNAUNWAW-OAHLLOKOSA-N -1 3 360.429 2.774 20 30 FFEDHM COc1cc([O-])c(CN2CCCC[C@@H]2C#N)cc1I ZINC001248469534 1011196407 /nfs/dbraw/zinc/19/64/07/1011196407.db2.gz OVCUXYJWVIPEKB-LLVKDONJSA-N -1 3 372.206 2.883 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1[n-]c(=O)ccc1Cl ZINC001275049423 1011858323 /nfs/dbraw/zinc/85/83/23/1011858323.db2.gz RWSBLKHOJRXHSS-GOSISDBHSA-N -1 3 363.845 2.614 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(C)ccc32)ccc1F ZINC000773379330 1012573577 /nfs/dbraw/zinc/57/35/77/1012573577.db2.gz SKZLEDPRCLOKPG-UHFFFAOYSA-N -1 3 374.437 2.801 20 30 FFEDHM N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)s1 ZINC001095188511 1012673693 /nfs/dbraw/zinc/67/36/93/1012673693.db2.gz JYWIMJIILKHBIX-DQYPLSBCSA-N -1 3 353.447 2.861 20 30 FFEDHM O=C(CNC(=O)c1cc(-c2ccccc2)on1)N([O-])Cc1ccc(F)cc1 ZINC000901373964 1019015789 /nfs/dbraw/zinc/01/57/89/1019015789.db2.gz AXXYSKUDJPNNCG-UHFFFAOYSA-N -1 3 369.352 2.629 20 30 FFEDHM N#CCCN(C(=O)CCC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000928712729 1019086968 /nfs/dbraw/zinc/08/69/68/1019086968.db2.gz XYOYYWJWPKSSSM-UHFFFAOYSA-N -1 3 369.396 2.875 20 30 FFEDHM C#CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC000901531960 1019183648 /nfs/dbraw/zinc/18/36/48/1019183648.db2.gz ZPKUXRQKORXJOH-HXUWFJFHSA-N -1 3 351.402 2.939 20 30 FFEDHM CCOC(=O)c1cnc([N-]N=Cc2c(OCC)nc3sccn23)nc1C ZINC000777888766 1019982218 /nfs/dbraw/zinc/98/22/18/1019982218.db2.gz DNTRXZXVRFSFNJ-UHFFFAOYSA-N -1 3 374.426 2.516 20 30 FFEDHM N#Cc1ccc(COC(=O)c2cc(F)cc3[n-]nnc32)c(OC(F)F)c1 ZINC000800263486 1020174619 /nfs/dbraw/zinc/17/46/19/1020174619.db2.gz ZRFFZJSIMDNYRE-UHFFFAOYSA-N -1 3 362.267 2.927 20 30 FFEDHM N#Cc1ccc(COC(=O)c2cc(F)cc3nn[n-]c32)c(OC(F)F)c1 ZINC000800263486 1020174624 /nfs/dbraw/zinc/17/46/24/1020174624.db2.gz ZRFFZJSIMDNYRE-UHFFFAOYSA-N -1 3 362.267 2.927 20 30 FFEDHM N#Cc1ccc(COC(=O)c2cc(F)cc3n[n-]nc32)c(OC(F)F)c1 ZINC000800263486 1020174630 /nfs/dbraw/zinc/17/46/30/1020174630.db2.gz ZRFFZJSIMDNYRE-UHFFFAOYSA-N -1 3 362.267 2.927 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)[C@@H]1C[C@H](OC)C12CCC2 ZINC001122496474 1023305304 /nfs/dbraw/zinc/30/53/04/1023305304.db2.gz WQXBATQPMGNBKY-KGLIPLIRSA-N -1 3 359.430 2.609 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCc2sccc2C1 ZINC001122567299 1023343481 /nfs/dbraw/zinc/34/34/81/1023343481.db2.gz OSPUBWMFOUKTMS-UHFFFAOYSA-N -1 3 354.439 2.641 20 30 FFEDHM N#CC[C@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC001121065826 1023590556 /nfs/dbraw/zinc/59/05/56/1023590556.db2.gz VXKYHLMCDJRPTD-VIFPVBQESA-N -1 3 371.212 2.744 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3cnn(C)c3)n2C)c1[O-] ZINC001121438445 1023776281 /nfs/dbraw/zinc/77/62/81/1023776281.db2.gz KHKYGFRHPYCMIB-UHFFFAOYSA-N -1 3 352.442 2.676 20 30 FFEDHM C=C[C@@H](C)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000757426126 1023820723 /nfs/dbraw/zinc/82/07/23/1023820723.db2.gz XDYMFPBTMIJQAM-GFCCVEGCSA-N -1 3 370.405 2.966 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000079116905 1024174118 /nfs/dbraw/zinc/17/41/18/1024174118.db2.gz ZJOOKTMLOOAWFV-UHFFFAOYSA-N -1 3 374.784 2.996 20 30 FFEDHM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000759329899 1024564582 /nfs/dbraw/zinc/56/45/82/1024564582.db2.gz QRGGBJWJKOBOHY-CQSZACIVSA-N -1 3 373.430 2.988 20 30 FFEDHM CCC(=CC([O-])=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)CC ZINC000759539055 1024651789 /nfs/dbraw/zinc/65/17/89/1024651789.db2.gz QVFZBZXSFXTKRT-LBPRGKRZSA-N -1 3 373.365 2.760 20 30 FFEDHM Cc1cnc([N-][C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c(C#N)n1 ZINC001159531887 1027423928 /nfs/dbraw/zinc/42/39/28/1027423928.db2.gz MMACWCVBFOSICL-FQEVSTJZSA-N -1 3 368.400 2.884 20 30 FFEDHM O=C(CCc1cccc(OCc2ccccc2)c1)N[C@@H]1CCCN([O-])C1=O ZINC001159641212 1027453026 /nfs/dbraw/zinc/45/30/26/1027453026.db2.gz GXKLYGJPMVPOTP-LJQANCHMSA-N -1 3 368.433 2.695 20 30 FFEDHM COC(=O)c1ccc(C(=N)NC(F)(F)c2cc(Cl)nc(=S)[n-]2)cc1 ZINC001159857267 1027520148 /nfs/dbraw/zinc/52/01/48/1027520148.db2.gz LWZWUGFXESRWMJ-UHFFFAOYSA-N -1 3 372.784 2.660 20 30 FFEDHM N#C[C@@H]1CCCCN1C(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153875708 1028040938 /nfs/dbraw/zinc/04/09/38/1028040938.db2.gz FBYVILTYXYRPMP-NSHDSACASA-N -1 3 360.211 2.809 20 30 FFEDHM N#CCSc1ccccc1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001153976161 1028092810 /nfs/dbraw/zinc/09/28/10/1028092810.db2.gz MFJNPUFGXWVPGZ-UHFFFAOYSA-N -1 3 352.419 2.831 20 30 FFEDHM COc1cnccc1[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C1CC1 ZINC001154560293 1028354352 /nfs/dbraw/zinc/35/43/52/1028354352.db2.gz IIBNKQHQDYJQRE-FQEVSTJZSA-N -1 3 374.400 2.684 20 30 FFEDHM COc1cc2c(cc1C)C[C@@H](NC(=O)c1cc(=O)c3cc(C#N)ccc3[n-]1)C2 ZINC001154559912 1028354399 /nfs/dbraw/zinc/35/43/99/1028354399.db2.gz VLYBWYWVKYXWJK-MRXNPFEDSA-N -1 3 373.412 2.614 20 30 FFEDHM N#Cc1cc(-c2ccnc(Cl)n2)c(NCCCc2c[n-][nH]c2=O)cc1F ZINC001156279097 1029123601 /nfs/dbraw/zinc/12/36/01/1029123601.db2.gz QHPDMJHZFYVDKV-SNVBAGLBSA-N -1 3 372.791 2.732 20 30 FFEDHM N#Cc1cccc(Oc2nc(Cl)ncc2NCCCc2c[n-][nH]c2=O)c1 ZINC001156285754 1029127710 /nfs/dbraw/zinc/12/77/10/1029127710.db2.gz RSDXDXMVJXGORB-LBPRGKRZSA-N -1 3 370.800 2.718 20 30 FFEDHM N#CC[C@@H](O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC001165471452 1029992158 /nfs/dbraw/zinc/99/21/58/1029992158.db2.gz PWDUODUTWBHYEX-LLVKDONJSA-N -1 3 361.814 2.541 20 30 FFEDHM COc1ccccc1[C@H](NCc1ccc(N(C)CCC#N)cc1)C(=O)[O-] ZINC000841799397 1030473764 /nfs/dbraw/zinc/47/37/64/1030473764.db2.gz VQCNMIPUOWYSEE-IBGZPJMESA-N -1 3 353.422 2.961 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(-c2cc[nH]n2)n2ccccc12 ZINC001150091794 1031657170 /nfs/dbraw/zinc/65/71/70/1031657170.db2.gz YVPZWMUXUHIWFF-UHFFFAOYSA-N -1 3 360.377 2.769 20 30 FFEDHM C[C@H](N)c1ncc(C(=O)[N-]c2c(C#N)cnnc2-c2ccccc2)s1 ZINC001218718363 1033302917 /nfs/dbraw/zinc/30/29/17/1033302917.db2.gz OJGKVEJZYSPENW-JTQLQIEISA-N -1 3 350.407 2.744 20 30 FFEDHM C#Cc1cncc(C(=O)Nc2ccc(I)cc2[O-])c1 ZINC001138176503 1033912950 /nfs/dbraw/zinc/91/29/50/1033912950.db2.gz IBFQKWNFGMMWLR-UHFFFAOYSA-N -1 3 364.142 2.625 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)[n-]1 ZINC001225466903 1034264791 /nfs/dbraw/zinc/26/47/91/1034264791.db2.gz IDQWYPYQZWYFMC-GXTWGEPZSA-N -1 3 351.378 2.694 20 30 FFEDHM N#Cc1ccnc(N2CCC(Oc3[n-]c(=S)ncc3C3CC3)CC2)c1 ZINC001226120892 1034534063 /nfs/dbraw/zinc/53/40/63/1034534063.db2.gz WFNSRCUHZZTSNU-UHFFFAOYSA-N -1 3 353.451 2.957 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001221760377 1035045669 /nfs/dbraw/zinc/04/56/69/1035045669.db2.gz DQNQARAHNBVIOD-YXJHDRRASA-N -1 3 370.497 2.695 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@H]2Oc1cc(C#N)ccc1[O-] ZINC001227344570 1035513533 /nfs/dbraw/zinc/51/35/33/1035513533.db2.gz AIDKLQPPEMSDJP-APWZRJJASA-N -1 3 360.410 2.811 20 30 FFEDHM C=CCN1C[C@@]2(F)CN(Cc3ccc4ccccc4c3[O-])C[C@@]2(F)C1=O ZINC001277223409 1035627721 /nfs/dbraw/zinc/62/77/21/1035627721.db2.gz KVBYFDJIXIQWHU-VQTJNVASSA-N -1 3 358.388 2.806 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747173 1035714062 /nfs/dbraw/zinc/71/40/62/1035714062.db2.gz XYKJCZBCWIENNZ-IINYFYTJSA-N -1 3 373.369 2.609 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747173 1035714080 /nfs/dbraw/zinc/71/40/80/1035714080.db2.gz XYKJCZBCWIENNZ-IINYFYTJSA-N -1 3 373.369 2.609 20 30 FFEDHM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1c([O-])cc(Cl)cc1F ZINC001234448239 1037040988 /nfs/dbraw/zinc/04/09/88/1037040988.db2.gz QUFKTVLMHDSUPD-NSHDSACASA-N -1 3 358.749 2.781 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234510559 1037064924 /nfs/dbraw/zinc/06/49/24/1037064924.db2.gz BNIXIHQMHLTXLZ-UHFFFAOYSA-N -1 3 370.409 2.985 20 30 FFEDHM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1nc2ccsc2[n-]1 ZINC001234848290 1037207600 /nfs/dbraw/zinc/20/76/00/1037207600.db2.gz OVQJAHZOXIVCSZ-UHFFFAOYSA-N -1 3 350.396 2.610 20 30 FFEDHM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1nc2sccc2[n-]1 ZINC001234848290 1037207607 /nfs/dbraw/zinc/20/76/07/1037207607.db2.gz OVQJAHZOXIVCSZ-UHFFFAOYSA-N -1 3 350.396 2.610 20 30 FFEDHM C#CCNC(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001278022953 1038327792 /nfs/dbraw/zinc/32/77/92/1038327792.db2.gz FLEPHAJISORSTE-ZDUSSCGKSA-N -1 3 350.821 2.536 20 30 FFEDHM CC1(NC([S-])=C(C([O-])=C2C=CC(=NC(N)=O)C=C2)[n+]2ccccc2)CC1 ZINC001257187275 1038740109 /nfs/dbraw/zinc/74/01/09/1038740109.db2.gz VPKCGSZMNJVXNK-UHFFFAOYSA-O -1 3 369.470 2.630 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2ccc(C#N)cc2)o1 ZINC001257872061 1039032471 /nfs/dbraw/zinc/03/24/71/1039032471.db2.gz COEGVFODRKJRAY-SNVBAGLBSA-N -1 3 360.420 2.709 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(Br)n1 ZINC001251609051 1039205447 /nfs/dbraw/zinc/20/54/47/1039205447.db2.gz OBCLYRKYTIHENI-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(CC#N)cc3)CCCCC2)no1 ZINC001252465457 1039545993 /nfs/dbraw/zinc/54/59/93/1039545993.db2.gz BMYMWVDHWCLCAK-UHFFFAOYSA-N -1 3 360.439 2.582 20 30 FFEDHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1F ZINC001259125831 1039732843 /nfs/dbraw/zinc/73/28/43/1039732843.db2.gz VCFCTUNVSODTHV-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM N#Cc1cnc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC001259361596 1039940556 /nfs/dbraw/zinc/94/05/56/1039940556.db2.gz FPMQDDRVWXLHOA-UHFFFAOYSA-N -1 3 359.798 2.593 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)ccc1F ZINC001259417938 1039987318 /nfs/dbraw/zinc/98/73/18/1039987318.db2.gz WWLPFEKFATZYFG-UHFFFAOYSA-N -1 3 370.409 2.970 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1C ZINC001260024380 1040358424 /nfs/dbraw/zinc/35/84/24/1040358424.db2.gz GFJRXQOLYBYXTH-IBGZPJMESA-N -1 3 373.474 2.755 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]C2(c3cccc(Cl)c3)COC2)cc1 ZINC001260046520 1040376451 /nfs/dbraw/zinc/37/64/51/1040376451.db2.gz SUNOCJYPMWTLEA-UHFFFAOYSA-N -1 3 362.838 2.557 20 30 FFEDHM COc1cc(N2CCN(C)CC2)ccc1Nc1cc(C#N)c(F)cc1[O-] ZINC001213550116 1040666282 /nfs/dbraw/zinc/66/62/82/1040666282.db2.gz USPCGVPKRXUWSP-UHFFFAOYSA-N -1 3 356.401 2.907 20 30 FFEDHM CCCCCCCNC(=S)NCC[N-]C(=O)C(F)(F)Br ZINC001249651509 1040914036 /nfs/dbraw/zinc/91/40/36/1040914036.db2.gz OJUIRRKRUOATIK-UHFFFAOYSA-N -1 3 374.295 2.525 20 30 FFEDHM CC(C)(C)OC(=O)NCc1cnccc1Nc1cc(C#N)c(F)cc1[O-] ZINC001249823143 1041023003 /nfs/dbraw/zinc/02/30/03/1041023003.db2.gz QPYHTCWDSZBKOW-UHFFFAOYSA-N -1 3 358.373 2.988 20 30 FFEDHM N#Cc1cc(Nc2ccc(C(N)=O)cc2[O-])ccc1OC1CCOCC1 ZINC001216668806 1042090068 /nfs/dbraw/zinc/09/00/68/1042090068.db2.gz NYLIUHOHIBRJSZ-UHFFFAOYSA-N -1 3 353.378 2.664 20 30 FFEDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1c(F)cc(C#N)cc1Br ZINC001309714354 1043491256 /nfs/dbraw/zinc/49/12/56/1043491256.db2.gz YETCUUIISWXSBX-UHFFFAOYSA-N -1 3 374.191 2.568 20 30 FFEDHM CC(C)(C)OC(=O)[C@H](C#N)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241442214 1044516481 /nfs/dbraw/zinc/51/64/81/1044516481.db2.gz FFIQJPBZWCUQDN-CQSZACIVSA-N -1 3 362.393 2.878 20 30 FFEDHM CC(C)(C)OC(=O)[C@H](C#N)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241442214 1044516497 /nfs/dbraw/zinc/51/64/97/1044516497.db2.gz FFIQJPBZWCUQDN-CQSZACIVSA-N -1 3 362.393 2.878 20 30 FFEDHM C=CCO[C@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC001320027869 1045331319 /nfs/dbraw/zinc/33/13/19/1045331319.db2.gz XEEURTKKNQGMIR-INIZCTEOSA-N -1 3 354.410 2.966 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001540674130 1070965041 /nfs/dbraw/zinc/96/50/41/1070965041.db2.gz FCVCGDLYBUWYGY-UHFFFAOYSA-N -1 3 353.382 2.619 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2cccc(C#N)c2)o1 ZINC001328429755 1048300503 /nfs/dbraw/zinc/30/05/03/1048300503.db2.gz PVZMOSSYQFYBTL-SNVBAGLBSA-N -1 3 360.420 2.709 20 30 FFEDHM Cn1cc(CNC(=O)Cc2ccc([O-])c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC001296263940 1050043428 /nfs/dbraw/zinc/04/34/28/1050043428.db2.gz HLJRDGPEMAMLBG-UHFFFAOYSA-N -1 3 364.380 2.662 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001341841478 1050452409 /nfs/dbraw/zinc/45/24/09/1050452409.db2.gz ZMOUTPONGUDRTJ-GASCZTMLSA-N -1 3 352.442 2.728 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCOCC1 ZINC001340144039 1050546909 /nfs/dbraw/zinc/54/69/09/1050546909.db2.gz LMGFDIMBQJIJOG-UHFFFAOYSA-N -1 3 357.439 2.673 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1N1CCOCC1 ZINC001342154477 1050747482 /nfs/dbraw/zinc/74/74/82/1050747482.db2.gz QKSWXYVSHNTEGH-UHFFFAOYSA-N -1 3 371.462 2.699 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001342383736 1050977690 /nfs/dbraw/zinc/97/76/90/1050977690.db2.gz GIQQCWBAMSMGMA-CYBMUJFWSA-N -1 3 354.458 2.952 20 30 FFEDHM CNc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)cc(Cl)n1 ZINC001342568541 1051174587 /nfs/dbraw/zinc/17/45/87/1051174587.db2.gz YHMPEUJTCJHQBN-NSHDSACASA-N -1 3 358.785 2.746 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001343403091 1052208227 /nfs/dbraw/zinc/20/82/27/1052208227.db2.gz AFFVDCUIOFSKCP-INIZCTEOSA-N -1 3 362.384 2.561 20 30 FFEDHM N#Cc1ccc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1Br ZINC001336740529 1054183208 /nfs/dbraw/zinc/18/32/08/1054183208.db2.gz QZIZHOFYIPOHKA-LBPRGKRZSA-N -1 3 360.215 2.507 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001352063087 1055163459 /nfs/dbraw/zinc/16/34/59/1055163459.db2.gz OABCGFDTOAQOAA-JTQLQIEISA-N -1 3 350.373 2.559 20 30 FFEDHM C=CCO[C@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001351383914 1056235047 /nfs/dbraw/zinc/23/50/47/1056235047.db2.gz RJMWJIKDUISCPO-NSHDSACASA-N -1 3 357.439 2.579 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001339657075 1056681812 /nfs/dbraw/zinc/68/18/12/1056681812.db2.gz KNLQVHMUBUWCDQ-AWEZNQCLSA-N -1 3 371.372 2.622 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)c3ccccc3n2)o1 ZINC000848137349 1059111629 /nfs/dbraw/zinc/11/16/29/1059111629.db2.gz DRQMYWXNLPEBKD-MRXNPFEDSA-N -1 3 365.389 2.913 20 30 FFEDHM Cc1cccc(COc2cccc(CC(=O)N[C@@H]3CCCN([O-])C3=O)c2)c1 ZINC000848138949 1059113785 /nfs/dbraw/zinc/11/37/85/1059113785.db2.gz QMUYVLNEBDBEBL-LJQANCHMSA-N -1 3 368.433 2.613 20 30 FFEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(OCCOC)c2ccccc2n1 ZINC001520036272 1059335389 /nfs/dbraw/zinc/33/53/89/1059335389.db2.gz LKESUTQVPZHJCV-OAHLLOKOSA-N -1 3 364.405 2.966 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@H](COC)O[C@@H](C)C3)n2C)c1[O-] ZINC001520084369 1059385600 /nfs/dbraw/zinc/38/56/00/1059385600.db2.gz MXJLGHHXQSYPTF-GOEBONIOSA-N -1 3 372.469 2.546 20 30 FFEDHM CC#CCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccccc1[O-] ZINC001515258746 1059468484 /nfs/dbraw/zinc/46/84/84/1059468484.db2.gz BXCKJNLSQUOKSS-SJORKVTESA-N -1 3 356.466 2.943 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2occc2Br)cc1F ZINC001463887482 1062315516 /nfs/dbraw/zinc/31/55/16/1062315516.db2.gz UBHHYEMFKDYPNK-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC001464161521 1062456922 /nfs/dbraw/zinc/45/69/22/1062456922.db2.gz SCHGDCMPTGDYPF-BZNIZROVSA-N -1 3 350.827 2.612 20 30 FFEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(C)cc1)C(=O)OCC ZINC001464257673 1062511170 /nfs/dbraw/zinc/51/11/70/1062511170.db2.gz PADQQGSNAUAQLK-FEAKQIBJSA-N -1 3 357.859 2.959 20 30 FFEDHM COc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)cnn1-c1ccccc1 ZINC001523875416 1062641468 /nfs/dbraw/zinc/64/14/68/1062641468.db2.gz QWJATMSVXBQKFP-MRXNPFEDSA-N -1 3 360.373 2.842 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC=CCC2)ccc1F ZINC001439559152 1063176236 /nfs/dbraw/zinc/17/62/36/1063176236.db2.gz BQKIFLVRRVJVRS-UHFFFAOYSA-N -1 3 366.458 2.766 20 30 FFEDHM C=C(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC001467260378 1063686178 /nfs/dbraw/zinc/68/61/78/1063686178.db2.gz CHEPGYPYQXKAOV-HNNXBMFYSA-N -1 3 356.336 2.587 20 30 FFEDHM C=C(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC001467260378 1063686185 /nfs/dbraw/zinc/68/61/85/1063686185.db2.gz CHEPGYPYQXKAOV-HNNXBMFYSA-N -1 3 356.336 2.587 20 30 FFEDHM C[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575333367 1078129806 /nfs/dbraw/zinc/12/98/06/1078129806.db2.gz ZWKREIHGTBOOKE-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575333367 1078129807 /nfs/dbraw/zinc/12/98/07/1078129807.db2.gz ZWKREIHGTBOOKE-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001575494577 1078145119 /nfs/dbraw/zinc/14/51/19/1078145119.db2.gz RLLKSLFJFFGJFT-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001575494577 1078145121 /nfs/dbraw/zinc/14/51/21/1078145121.db2.gz RLLKSLFJFFGJFT-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N([O-])Cc1cccc2ccccc21 ZINC001472622752 1065113849 /nfs/dbraw/zinc/11/38/49/1065113849.db2.gz PMBATVCLRVPVAU-AWEZNQCLSA-N -1 3 366.339 2.968 20 30 FFEDHM N#Cc1ccc(O[C@H]2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)C2)nc1 ZINC001473513088 1065276398 /nfs/dbraw/zinc/27/63/98/1065276398.db2.gz MJGDXOYQOYNFJT-SFHVURJKSA-N -1 3 373.416 2.769 20 30 FFEDHM C=CCC[C@@H](O)CN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001473727540 1065335046 /nfs/dbraw/zinc/33/50/46/1065335046.db2.gz KEUUXYJYJLFMQQ-UONOGXRCSA-N -1 3 356.388 2.986 20 30 FFEDHM COc1ccc([C@@H](C)CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC001579992986 1078728655 /nfs/dbraw/zinc/72/86/55/1078728655.db2.gz SMOUTMFLRPUIKJ-JTQLQIEISA-N -1 3 367.438 2.620 20 30 FFEDHM COc1ccc([C@@H](C)CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC001579992986 1078728657 /nfs/dbraw/zinc/72/86/57/1078728657.db2.gz SMOUTMFLRPUIKJ-JTQLQIEISA-N -1 3 367.438 2.620 20 30 FFEDHM Cc1cc(-n2cccn2)ccc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001580763813 1078854991 /nfs/dbraw/zinc/85/49/91/1078854991.db2.gz FVUDLNPGKBTMCG-UHFFFAOYSA-N -1 3 356.393 2.845 20 30 FFEDHM Cc1cc(-n2cccn2)ccc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001580763813 1078855000 /nfs/dbraw/zinc/85/50/00/1078855000.db2.gz FVUDLNPGKBTMCG-UHFFFAOYSA-N -1 3 356.393 2.845 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(F)c1 ZINC001581869256 1079011108 /nfs/dbraw/zinc/01/11/08/1079011108.db2.gz OXKSVBZUOGYGIU-UHFFFAOYSA-N -1 3 374.282 2.731 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(F)c1 ZINC001581869256 1079011118 /nfs/dbraw/zinc/01/11/18/1079011118.db2.gz OXKSVBZUOGYGIU-UHFFFAOYSA-N -1 3 374.282 2.731 20 30 FFEDHM N#Cc1csc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)n1 ZINC001581878703 1079012947 /nfs/dbraw/zinc/01/29/47/1079012947.db2.gz YBLHCPBIJIPRRC-LBPRGKRZSA-N -1 3 365.344 2.588 20 30 FFEDHM N#Cc1csc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)n1 ZINC001581878703 1079012952 /nfs/dbraw/zinc/01/29/52/1079012952.db2.gz YBLHCPBIJIPRRC-LBPRGKRZSA-N -1 3 365.344 2.588 20 30 FFEDHM Cc1ccccc1N1CCC[C@@H](/N=C/c2c([O-])c(C)ncc2CO)C1=O ZINC001551294529 1074680073 /nfs/dbraw/zinc/68/00/73/1074680073.db2.gz OVGVSEARJGZHPQ-ZTBJCTOSSA-N -1 3 353.422 2.511 20 30 FFEDHM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC001556750710 1075772257 /nfs/dbraw/zinc/77/22/57/1075772257.db2.gz SPMGSMPJWONNKR-GFCCVEGCSA-N -1 3 361.225 2.505 20 30 FFEDHM Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001558977766 1076109142 /nfs/dbraw/zinc/10/91/42/1076109142.db2.gz ACVVUIDIMZWXJC-KBPBESRZSA-N -1 3 366.421 2.669 20 30 FFEDHM CCCCCCN([O-])C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC001559034507 1076118367 /nfs/dbraw/zinc/11/83/67/1076118367.db2.gz CSRPNJAGMXQECZ-UHFFFAOYSA-N -1 3 362.879 2.807 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OC(C)(C)C ZINC001561357096 1076367722 /nfs/dbraw/zinc/36/77/22/1076367722.db2.gz BGOBGGMMFKPPAC-MRXNPFEDSA-N -1 3 366.483 2.715 20 30 FFEDHM C=CCSCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001567500062 1077032434 /nfs/dbraw/zinc/03/24/34/1077032434.db2.gz VNQLVRHNIOSIHQ-UHFFFAOYSA-N -1 3 367.268 2.940 20 30 FFEDHM CC(C)(NC(=O)Nc1cc(C#N)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001573920465 1077847255 /nfs/dbraw/zinc/84/72/55/1077847255.db2.gz RGIUXBKGXOUXIT-UHFFFAOYSA-N -1 3 365.372 2.934 20 30 FFEDHM CC(C)(NC(=O)Nc1cc(C#N)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001573920465 1077847259 /nfs/dbraw/zinc/84/72/59/1077847259.db2.gz RGIUXBKGXOUXIT-UHFFFAOYSA-N -1 3 365.372 2.934 20 30 FFEDHM C#C[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001588329885 1079985557 /nfs/dbraw/zinc/98/55/57/1079985557.db2.gz QANRBWSOVTZAJC-PXAZEXFGSA-N -1 3 364.384 2.741 20 30 FFEDHM C#C[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001588329885 1079985565 /nfs/dbraw/zinc/98/55/65/1079985565.db2.gz QANRBWSOVTZAJC-PXAZEXFGSA-N -1 3 364.384 2.741 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC(=C)C)C1 ZINC001588332769 1079987783 /nfs/dbraw/zinc/98/77/83/1079987783.db2.gz RTRNMVNHBJVWPR-HNNXBMFYSA-N -1 3 374.452 2.551 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC(=C)C)C1 ZINC001588332769 1079987787 /nfs/dbraw/zinc/98/77/87/1079987787.db2.gz RTRNMVNHBJVWPR-HNNXBMFYSA-N -1 3 374.452 2.551 20 30 FFEDHM C#CCC1(C(=O)Nc2n[nH]c3cc(-c4nnn[n-]4)c(C)cc32)CCCCC1 ZINC001588335003 1079989311 /nfs/dbraw/zinc/98/93/11/1079989311.db2.gz SZJNZSUUOMUTFI-UHFFFAOYSA-N -1 3 363.425 2.964 20 30 FFEDHM C#CCC1(C(=O)Nc2n[nH]c3cc(-c4nn[n-]n4)c(C)cc32)CCCCC1 ZINC001588335003 1079989313 /nfs/dbraw/zinc/98/93/13/1079989313.db2.gz SZJNZSUUOMUTFI-UHFFFAOYSA-N -1 3 363.425 2.964 20 30 FFEDHM C#CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CC ZINC001588346143 1079990003 /nfs/dbraw/zinc/99/00/03/1079990003.db2.gz ZGTNBADCWVJZMN-UHFFFAOYSA-N -1 3 364.457 2.775 20 30 FFEDHM C#CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CC ZINC001588346143 1079990009 /nfs/dbraw/zinc/99/00/09/1079990009.db2.gz ZGTNBADCWVJZMN-UHFFFAOYSA-N -1 3 364.457 2.775 20 30 FFEDHM C#CCCOC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001588346987 1079990506 /nfs/dbraw/zinc/99/05/06/1079990506.db2.gz FEPWHHPBSWBVOD-UHFFFAOYSA-N -1 3 353.407 2.845 20 30 FFEDHM C#CCOc1cccc(-c2noc(-c3cccc(-c4nnn[n-]4)c3C)n2)c1 ZINC001588362000 1079993904 /nfs/dbraw/zinc/99/39/04/1079993904.db2.gz ORINYNRYSRIQNR-UHFFFAOYSA-N -1 3 358.361 2.904 20 30 FFEDHM C#CCOc1cccc(-c2noc(-c3cccc(-c4nn[n-]n4)c3C)n2)c1 ZINC001588362000 1079993907 /nfs/dbraw/zinc/99/39/07/1079993907.db2.gz ORINYNRYSRIQNR-UHFFFAOYSA-N -1 3 358.361 2.904 20 30 FFEDHM C#CCOCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC001588363393 1079994288 /nfs/dbraw/zinc/99/42/88/1079994288.db2.gz CORVJTNMOCZXER-UHFFFAOYSA-N -1 3 365.412 2.971 20 30 FFEDHM C#CCOCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC001588363393 1079994292 /nfs/dbraw/zinc/99/42/92/1079994292.db2.gz CORVJTNMOCZXER-UHFFFAOYSA-N -1 3 365.412 2.971 20 30 FFEDHM C#Cc1ccc(CNC(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001588374014 1079996546 /nfs/dbraw/zinc/99/65/46/1079996546.db2.gz YJMBEBZTEATIOP-IBGZPJMESA-N -1 3 372.432 2.725 20 30 FFEDHM C#Cc1ccc(CNC(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001588374014 1079996557 /nfs/dbraw/zinc/99/65/57/1079996557.db2.gz YJMBEBZTEATIOP-IBGZPJMESA-N -1 3 372.432 2.725 20 30 FFEDHM C#Cc1ccc(NC(=O)c2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC001588374968 1079997871 /nfs/dbraw/zinc/99/78/71/1079997871.db2.gz YUQFDTRNVZSYKR-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C#Cc1ccc(NC(=O)c2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC001588374968 1079997876 /nfs/dbraw/zinc/99/78/76/1079997876.db2.gz YUQFDTRNVZSYKR-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001588391459 1080003696 /nfs/dbraw/zinc/00/36/96/1080003696.db2.gz LSBPOHDZQUOGEA-ZDUSSCGKSA-N -1 3 374.514 2.563 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001588391459 1080003705 /nfs/dbraw/zinc/00/37/05/1080003705.db2.gz LSBPOHDZQUOGEA-ZDUSSCGKSA-N -1 3 374.514 2.563 20 30 FFEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001588402259 1080010813 /nfs/dbraw/zinc/01/08/13/1080010813.db2.gz DPGMHUTVTUOONB-UHFFFAOYSA-N -1 3 358.402 2.976 20 30 FFEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001588402259 1080010820 /nfs/dbraw/zinc/01/08/20/1080010820.db2.gz DPGMHUTVTUOONB-UHFFFAOYSA-N -1 3 358.402 2.976 20 30 FFEDHM C=C(C)CCC(=O)N(C)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588410322 1080013403 /nfs/dbraw/zinc/01/34/03/1080013403.db2.gz OIOMKLOHMVMZDM-UHFFFAOYSA-N -1 3 372.448 2.789 20 30 FFEDHM C=C(C)CCC(=O)N(C)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588410322 1080013411 /nfs/dbraw/zinc/01/34/11/1080013411.db2.gz OIOMKLOHMVMZDM-UHFFFAOYSA-N -1 3 372.448 2.789 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588416660 1080019939 /nfs/dbraw/zinc/01/99/39/1080019939.db2.gz XNEGZIYNXIYPJQ-GJZGRUSLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588416660 1080019948 /nfs/dbraw/zinc/01/99/48/1080019948.db2.gz XNEGZIYNXIYPJQ-GJZGRUSLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588426509 1080024265 /nfs/dbraw/zinc/02/42/65/1080024265.db2.gz XKNGTOYLEQCZOH-UHFFFAOYSA-N -1 3 362.437 2.884 20 30 FFEDHM C=C(C)Cn1c(CC2CC2)nnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588437666 1080026743 /nfs/dbraw/zinc/02/67/43/1080026743.db2.gz FOGSKCVUCJQWDM-UHFFFAOYSA-N -1 3 362.441 2.507 20 30 FFEDHM C=C(C)Cn1c(CC2CC2)nnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588437666 1080026752 /nfs/dbraw/zinc/02/67/52/1080026752.db2.gz FOGSKCVUCJQWDM-UHFFFAOYSA-N -1 3 362.441 2.507 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588454714 1080033004 /nfs/dbraw/zinc/03/30/04/1080033004.db2.gz GQGUTLAZWYZMAG-OLZOCXBDSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588454714 1080033013 /nfs/dbraw/zinc/03/30/13/1080033013.db2.gz GQGUTLAZWYZMAG-OLZOCXBDSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCN(C(=O)N[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)CC1 ZINC001588462280 1080036791 /nfs/dbraw/zinc/03/67/91/1080036791.db2.gz ALYDHHNVRCMKLI-ZDUSSCGKSA-N -1 3 366.347 2.832 20 30 FFEDHM C=C1CCN(C(=O)N[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)CC1 ZINC001588462280 1080036797 /nfs/dbraw/zinc/03/67/97/1080036797.db2.gz ALYDHHNVRCMKLI-ZDUSSCGKSA-N -1 3 366.347 2.832 20 30 FFEDHM C=CC(C)(C)C(=O)NCCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001588477664 1080045158 /nfs/dbraw/zinc/04/51/58/1080045158.db2.gz BLQCYWJSEOWUON-UHFFFAOYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)C(=O)NCCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001588477664 1080045165 /nfs/dbraw/zinc/04/51/65/1080045165.db2.gz BLQCYWJSEOWUON-UHFFFAOYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@](C)(CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001588484649 1080048072 /nfs/dbraw/zinc/04/80/72/1080048072.db2.gz JSRCFRMCRPVJCL-LJQANCHMSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@](C)(CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001588484649 1080048080 /nfs/dbraw/zinc/04/80/80/1080048080.db2.gz JSRCFRMCRPVJCL-LJQANCHMSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588484488 1080049324 /nfs/dbraw/zinc/04/93/24/1080049324.db2.gz FLZAJWAVYPSZTK-LJQANCHMSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588484488 1080049330 /nfs/dbraw/zinc/04/93/30/1080049330.db2.gz FLZAJWAVYPSZTK-LJQANCHMSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@H](C)ONC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001588518876 1080070386 /nfs/dbraw/zinc/07/03/86/1080070386.db2.gz MMIPRYBZYASFDP-ZDUSSCGKSA-N -1 3 365.393 2.682 20 30 FFEDHM C=C[C@H](C)ONC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001588518876 1080070393 /nfs/dbraw/zinc/07/03/93/1080070393.db2.gz MMIPRYBZYASFDP-ZDUSSCGKSA-N -1 3 365.393 2.682 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588520836 1080073128 /nfs/dbraw/zinc/07/31/28/1080073128.db2.gz FZICJSGLXIJRBP-KGLIPLIRSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588532832 1080082137 /nfs/dbraw/zinc/08/21/37/1080082137.db2.gz HIYKRAGOZSTBAT-GFCCVEGCSA-N -1 3 360.437 2.772 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588532832 1080082143 /nfs/dbraw/zinc/08/21/43/1080082143.db2.gz HIYKRAGOZSTBAT-GFCCVEGCSA-N -1 3 360.437 2.772 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588532580 1080082631 /nfs/dbraw/zinc/08/26/31/1080082631.db2.gz ZZZZVUJOSBCYLR-MRXNPFEDSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588532580 1080082638 /nfs/dbraw/zinc/08/26/38/1080082638.db2.gz ZZZZVUJOSBCYLR-MRXNPFEDSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001588540775 1080088074 /nfs/dbraw/zinc/08/80/74/1080088074.db2.gz FNJWRDHVBWAARW-LLVKDONJSA-N -1 3 373.417 2.911 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001588540775 1080088084 /nfs/dbraw/zinc/08/80/84/1080088084.db2.gz FNJWRDHVBWAARW-LLVKDONJSA-N -1 3 373.417 2.911 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588551825 1080091741 /nfs/dbraw/zinc/09/17/41/1080091741.db2.gz ISZVEBRPNAFHLY-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588551825 1080091748 /nfs/dbraw/zinc/09/17/48/1080091748.db2.gz ISZVEBRPNAFHLY-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588560650 1080098639 /nfs/dbraw/zinc/09/86/39/1080098639.db2.gz TYNLDQNRIRZYRZ-GOEBONIOSA-N -1 3 370.457 2.809 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588560650 1080098645 /nfs/dbraw/zinc/09/86/45/1080098645.db2.gz TYNLDQNRIRZYRZ-GOEBONIOSA-N -1 3 370.457 2.809 20 30 FFEDHM C=CCC[C@@H](C)OC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588578109 1080106044 /nfs/dbraw/zinc/10/60/44/1080106044.db2.gz WFTOUOACIKDHCV-TZMCWYRMSA-N -1 3 359.405 2.730 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588587550 1080111094 /nfs/dbraw/zinc/11/10/94/1080111094.db2.gz XQNBPBYUERJSAW-LSDHHAIUSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588587550 1080111098 /nfs/dbraw/zinc/11/10/98/1080111098.db2.gz XQNBPBYUERJSAW-LSDHHAIUSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001588625605 1080125966 /nfs/dbraw/zinc/12/59/66/1080125966.db2.gz LLGNNMSURMJGRH-UHFFFAOYSA-N -1 3 368.319 2.948 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001588625605 1080125973 /nfs/dbraw/zinc/12/59/73/1080125973.db2.gz LLGNNMSURMJGRH-UHFFFAOYSA-N -1 3 368.319 2.948 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588635796 1080131187 /nfs/dbraw/zinc/13/11/87/1080131187.db2.gz VYLSFGGNQKAAFW-UHFFFAOYSA-N -1 3 363.425 2.833 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588635796 1080131191 /nfs/dbraw/zinc/13/11/91/1080131191.db2.gz VYLSFGGNQKAAFW-UHFFFAOYSA-N -1 3 363.425 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1Cc2ccccc2C1 ZINC001588639600 1080132254 /nfs/dbraw/zinc/13/22/54/1080132254.db2.gz CRMTVHPUXVUBQN-UHFFFAOYSA-N -1 3 359.433 2.796 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1Cc2ccccc2C1 ZINC001588639600 1080132257 /nfs/dbraw/zinc/13/22/57/1080132257.db2.gz CRMTVHPUXVUBQN-UHFFFAOYSA-N -1 3 359.433 2.796 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1CC=CC1 ZINC001588641331 1080134292 /nfs/dbraw/zinc/13/42/92/1080134292.db2.gz CGCYYLMDLJJQFP-UHFFFAOYSA-N -1 3 352.442 2.921 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1CC=CC1 ZINC001588641331 1080134300 /nfs/dbraw/zinc/13/43/00/1080134300.db2.gz CGCYYLMDLJJQFP-UHFFFAOYSA-N -1 3 352.442 2.921 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CC(F)(F)C1 ZINC001588641392 1080134857 /nfs/dbraw/zinc/13/48/57/1080134857.db2.gz DVEORDVIMQXKTN-UHFFFAOYSA-N -1 3 362.384 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CC(F)(F)C1 ZINC001588641392 1080134863 /nfs/dbraw/zinc/13/48/63/1080134863.db2.gz DVEORDVIMQXKTN-UHFFFAOYSA-N -1 3 362.384 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc(Cl)n1 ZINC001588647630 1080137166 /nfs/dbraw/zinc/13/71/66/1080137166.db2.gz AENQEHIGAPOFGB-UHFFFAOYSA-N -1 3 360.830 2.805 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc(Cl)n1 ZINC001588647630 1080137175 /nfs/dbraw/zinc/13/71/75/1080137175.db2.gz AENQEHIGAPOFGB-UHFFFAOYSA-N -1 3 360.830 2.805 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(CC#N)ccn1 ZINC001588648820 1080138162 /nfs/dbraw/zinc/13/81/62/1080138162.db2.gz BHYQVCMAPSSADZ-UHFFFAOYSA-N -1 3 374.408 2.548 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(CC#N)ccn1 ZINC001588648820 1080138169 /nfs/dbraw/zinc/13/81/69/1080138169.db2.gz BHYQVCMAPSSADZ-UHFFFAOYSA-N -1 3 374.408 2.548 20 30 FFEDHM C=CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588653282 1080143050 /nfs/dbraw/zinc/14/30/50/1080143050.db2.gz AZKZPAFDRWVHGU-OAHLLOKOSA-N -1 3 362.437 2.882 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588689592 1080155971 /nfs/dbraw/zinc/15/59/71/1080155971.db2.gz HWDDBUXENNRVBN-UHFFFAOYSA-N -1 3 363.421 2.978 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588689592 1080155977 /nfs/dbraw/zinc/15/59/77/1080155977.db2.gz HWDDBUXENNRVBN-UHFFFAOYSA-N -1 3 363.421 2.978 20 30 FFEDHM C=CCOc1ccc(CC(=O)Nc2cnc(Cl)cc2-c2nnn[n-]2)cc1 ZINC001588689988 1080156104 /nfs/dbraw/zinc/15/61/04/1080156104.db2.gz WKBIPPBCNVTSCW-UHFFFAOYSA-N -1 3 370.800 2.661 20 30 FFEDHM C=CCOc1ccc(CC(=O)Nc2cnc(Cl)cc2-c2nn[n-]n2)cc1 ZINC001588689988 1080156112 /nfs/dbraw/zinc/15/61/12/1080156112.db2.gz WKBIPPBCNVTSCW-UHFFFAOYSA-N -1 3 370.800 2.661 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588694122 1080159601 /nfs/dbraw/zinc/15/96/01/1080159601.db2.gz CSHJBESNQVFCER-UHFFFAOYSA-N -1 3 350.378 2.752 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588694122 1080159604 /nfs/dbraw/zinc/15/96/04/1080159604.db2.gz CSHJBESNQVFCER-UHFFFAOYSA-N -1 3 350.378 2.752 20 30 FFEDHM C=CCn1c([C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)nnc1N1CCCC1 ZINC001588703407 1080161809 /nfs/dbraw/zinc/16/18/09/1080161809.db2.gz BCUKIAHINFQNDR-AWEZNQCLSA-N -1 3 364.457 2.591 20 30 FFEDHM C=CCn1c([C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)nnc1N1CCCC1 ZINC001588703407 1080161813 /nfs/dbraw/zinc/16/18/13/1080161813.db2.gz BCUKIAHINFQNDR-AWEZNQCLSA-N -1 3 364.457 2.591 20 30 FFEDHM C=CCn1c(-c2cncc(-c3nnn[n-]3)c2)nnc1N(CC(C)C)C(C)C ZINC001588704777 1080162506 /nfs/dbraw/zinc/16/25/06/1080162506.db2.gz PCZSBGACWHTIST-UHFFFAOYSA-N -1 3 367.461 2.577 20 30 FFEDHM C=CCn1c(-c2cncc(-c3nn[n-]n3)c2)nnc1N(CC(C)C)C(C)C ZINC001588704777 1080162507 /nfs/dbraw/zinc/16/25/07/1080162507.db2.gz PCZSBGACWHTIST-UHFFFAOYSA-N -1 3 367.461 2.577 20 30 FFEDHM C=CCn1cnnc1Sc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588717054 1080168614 /nfs/dbraw/zinc/16/86/14/1080168614.db2.gz QMJCPFALAGZUQA-UHFFFAOYSA-N -1 3 364.232 2.558 20 30 FFEDHM C=CCn1cnnc1Sc1cc(Br)ccc1-c1nn[n-]n1 ZINC001588717054 1080168619 /nfs/dbraw/zinc/16/86/19/1080168619.db2.gz QMJCPFALAGZUQA-UHFFFAOYSA-N -1 3 364.232 2.558 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC001588777225 1080190764 /nfs/dbraw/zinc/19/07/64/1080190764.db2.gz IYWNBHBBTYCATO-UHFFFAOYSA-N -1 3 351.267 2.654 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC001588777225 1080190772 /nfs/dbraw/zinc/19/07/72/1080190772.db2.gz IYWNBHBBTYCATO-UHFFFAOYSA-N -1 3 351.267 2.654 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCOC2=O)c1 ZINC001588780879 1080193210 /nfs/dbraw/zinc/19/32/10/1080193210.db2.gz RPIUDICNDZRANN-UHFFFAOYSA-N -1 3 363.381 2.659 20 30 FFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1nnn(-c2ccccc2)c1C ZINC001588780874 1080193314 /nfs/dbraw/zinc/19/33/14/1080193314.db2.gz ROFMBECAJBWZIN-UHFFFAOYSA-N -1 3 359.397 2.592 20 30 FFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1nnn(-c2ccccc2)c1C ZINC001588780874 1080193316 /nfs/dbraw/zinc/19/33/16/1080193316.db2.gz ROFMBECAJBWZIN-UHFFFAOYSA-N -1 3 359.397 2.592 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1nccnc1C ZINC001588780922 1080193918 /nfs/dbraw/zinc/19/39/18/1080193918.db2.gz TUWGLWZCUSUDAQ-UHFFFAOYSA-N -1 3 362.319 2.820 20 30 FFEDHM CC(=O)N(Cc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1)C1CC1 ZINC001588802817 1080202746 /nfs/dbraw/zinc/20/27/46/1080202746.db2.gz YVOMAWWGLPJNSR-UHFFFAOYSA-N -1 3 373.420 2.993 20 30 FFEDHM CC(=O)N(Cc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1)C1CC1 ZINC001588802817 1080202751 /nfs/dbraw/zinc/20/27/51/1080202751.db2.gz YVOMAWWGLPJNSR-UHFFFAOYSA-N -1 3 373.420 2.993 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588831865 1080212171 /nfs/dbraw/zinc/21/21/71/1080212171.db2.gz URELYVMMMMEOJU-RDTXWAMCSA-N -1 3 350.484 2.838 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001589036118 1080317604 /nfs/dbraw/zinc/31/76/04/1080317604.db2.gz QDZCOSGRBKKFMT-UHFFFAOYSA-N -1 3 364.384 2.737 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001589036118 1080317612 /nfs/dbraw/zinc/31/76/12/1080317612.db2.gz QDZCOSGRBKKFMT-UHFFFAOYSA-N -1 3 364.384 2.737 20 30 FFEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1sccc1CC#N ZINC001589307423 1080475039 /nfs/dbraw/zinc/47/50/39/1080475039.db2.gz XZPKUWSRZDSMKP-UHFFFAOYSA-N -1 3 366.450 2.745 20 30 FFEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1sccc1CC#N ZINC001589307423 1080475040 /nfs/dbraw/zinc/47/50/40/1080475040.db2.gz XZPKUWSRZDSMKP-UHFFFAOYSA-N -1 3 366.450 2.745 20 30 FFEDHM CC(C)=CCC[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589370451 1080506235 /nfs/dbraw/zinc/50/62/35/1080506235.db2.gz AWEUXFRPOXGOSG-RHSMWYFYSA-N -1 3 352.442 2.800 20 30 FFEDHM CC(C)C#CC(=O)N[C@@H]1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589386927 1080512076 /nfs/dbraw/zinc/51/20/76/1080512076.db2.gz FQVRCIGBJYWPQG-UONOGXRCSA-N -1 3 370.432 2.505 20 30 FFEDHM CC(C)C#CC(=O)N[C@@H]1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589386927 1080512079 /nfs/dbraw/zinc/51/20/79/1080512079.db2.gz FQVRCIGBJYWPQG-UONOGXRCSA-N -1 3 370.432 2.505 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(C#N)cc1 ZINC001589488154 1080559639 /nfs/dbraw/zinc/55/96/39/1080559639.db2.gz KVWSUGPDGYYRRU-QGZVFWFLSA-N -1 3 363.377 2.747 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(C#N)cc1 ZINC001589488154 1080559649 /nfs/dbraw/zinc/55/96/49/1080559649.db2.gz KVWSUGPDGYYRRU-QGZVFWFLSA-N -1 3 363.377 2.747 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001589752924 1080704026 /nfs/dbraw/zinc/70/40/26/1080704026.db2.gz KYKCLQKUOWSHAY-SFHVURJKSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC001589752924 1080704029 /nfs/dbraw/zinc/70/40/29/1080704029.db2.gz KYKCLQKUOWSHAY-SFHVURJKSA-N -1 3 369.429 2.811 20 30 FFEDHM C[C@H](CCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001589821152 1080774442 /nfs/dbraw/zinc/77/44/42/1080774442.db2.gz WWYQRWRQWFYZOV-DNVCBOLYSA-N -1 3 374.448 2.859 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC001589892761 1080838018 /nfs/dbraw/zinc/83/80/18/1080838018.db2.gz XUBAZMDJBSWLHB-AWEZNQCLSA-N -1 3 360.421 2.576 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC001589892761 1080838023 /nfs/dbraw/zinc/83/80/23/1080838023.db2.gz XUBAZMDJBSWLHB-AWEZNQCLSA-N -1 3 360.421 2.576 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589897809 1080846821 /nfs/dbraw/zinc/84/68/21/1080846821.db2.gz ZPRPGNQECWDIST-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589897809 1080846825 /nfs/dbraw/zinc/84/68/25/1080846825.db2.gz ZPRPGNQECWDIST-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589934902 1080877768 /nfs/dbraw/zinc/87/77/68/1080877768.db2.gz UPPCWTATENRLDA-CYBMUJFWSA-N -1 3 353.430 2.701 20 30 FFEDHM C[C@@H](NC(=O)NCC1(C#N)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589934902 1080877777 /nfs/dbraw/zinc/87/77/77/1080877777.db2.gz UPPCWTATENRLDA-CYBMUJFWSA-N -1 3 353.430 2.701 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(OCC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589937182 1080881067 /nfs/dbraw/zinc/88/10/67/1080881067.db2.gz YGVXEBZYYAMRAE-LBPRGKRZSA-N -1 3 363.381 2.652 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(OCC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589937182 1080881079 /nfs/dbraw/zinc/88/10/79/1080881079.db2.gz YGVXEBZYYAMRAE-LBPRGKRZSA-N -1 3 363.381 2.652 20 30 FFEDHM C[C@H](NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12)c1ccc(C#N)cc1 ZINC001589941851 1080885373 /nfs/dbraw/zinc/88/53/73/1080885373.db2.gz YQJIKALYRSOKLF-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12)c1ccc(C#N)cc1 ZINC001589941851 1080885380 /nfs/dbraw/zinc/88/53/80/1080885380.db2.gz YQJIKALYRSOKLF-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC001590003793 1080930181 /nfs/dbraw/zinc/93/01/81/1080930181.db2.gz QABHVBGSBGPQHE-FZKQIMNGSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC001590003793 1080930191 /nfs/dbraw/zinc/93/01/91/1080930191.db2.gz QABHVBGSBGPQHE-FZKQIMNGSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(F)cc1F ZINC001590037011 1080960987 /nfs/dbraw/zinc/96/09/87/1080960987.db2.gz DXKJSHHDYSFGOT-ZETCQYMHSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(F)cc1F ZINC001590037011 1080960990 /nfs/dbraw/zinc/96/09/90/1080960990.db2.gz DXKJSHHDYSFGOT-ZETCQYMHSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590049859 1080978274 /nfs/dbraw/zinc/97/82/74/1080978274.db2.gz QLAKXXMBHQHGQU-PLSXKVAHSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590049859 1080978280 /nfs/dbraw/zinc/97/82/80/1080978280.db2.gz QLAKXXMBHQHGQU-PLSXKVAHSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590049860 1080978304 /nfs/dbraw/zinc/97/83/04/1080978304.db2.gz QLAKXXMBHQHGQU-VNDWYCCKSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590049860 1080978310 /nfs/dbraw/zinc/97/83/10/1080978310.db2.gz QLAKXXMBHQHGQU-VNDWYCCKSA-N -1 3 358.405 2.971 20 30 FFEDHM CC1(C)CCc2sc(NC(=O)c3ccnc(C#N)c3)c(-c3nnn[n-]3)c21 ZINC001590101191 1081012324 /nfs/dbraw/zinc/01/23/24/1081012324.db2.gz WYGXJOOTRPEAPQ-UHFFFAOYSA-N -1 3 365.422 2.671 20 30 FFEDHM CC1(C)CCc2sc(NC(=O)c3ccnc(C#N)c3)c(-c3nn[n-]n3)c21 ZINC001590101191 1081012332 /nfs/dbraw/zinc/01/23/32/1081012332.db2.gz WYGXJOOTRPEAPQ-UHFFFAOYSA-N -1 3 365.422 2.671 20 30 FFEDHM C[C@@H]1CCc2nc(NC(=O)CCCCCC#N)c(-c3nnn[n-]3)cc2C1 ZINC001590283857 1081139669 /nfs/dbraw/zinc/13/96/69/1081139669.db2.gz WLHPBUZENBCKLZ-GFCCVEGCSA-N -1 3 353.430 2.799 20 30 FFEDHM C[C@@H]1CCc2nc(NC(=O)CCCCCC#N)c(-c3nn[n-]n3)cc2C1 ZINC001590283857 1081139673 /nfs/dbraw/zinc/13/96/73/1081139673.db2.gz WLHPBUZENBCKLZ-GFCCVEGCSA-N -1 3 353.430 2.799 20 30 FFEDHM N#Cc1ccc(Br)c(CN[C@H](Cc2cncs2)C(=O)[O-])c1 ZINC001608199080 1126236079 /nfs/dbraw/zinc/23/60/79/1126236079.db2.gz QTWMEKYCKAPRML-CYBMUJFWSA-N -1 3 366.240 2.563 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000288633548 257212705 /nfs/dbraw/zinc/21/27/05/257212705.db2.gz OEFQIISYHUPDBT-UHFFFAOYSA-N -1 3 351.815 2.557 20 30 FFEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000296432470 257706460 /nfs/dbraw/zinc/70/64/60/257706460.db2.gz VOIQDEPEIHZGGX-UHFFFAOYSA-N -1 3 351.428 2.651 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000299539628 258003707 /nfs/dbraw/zinc/00/37/07/258003707.db2.gz OSXVBLDJKMGRFJ-INIZCTEOSA-N -1 3 353.426 2.685 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000329396906 258137606 /nfs/dbraw/zinc/13/76/06/258137606.db2.gz XPKDZLMMUFLHOB-GOSISDBHSA-N -1 3 357.454 2.626 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccncc2Br)ccc1C#N ZINC000235902750 509454595 /nfs/dbraw/zinc/45/45/95/509454595.db2.gz QCBMGLSARCJINP-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM COc1cccc([C@@H](C/N=C/c2c([O-])c(C)ncc2CO)N2CCCC2)c1 ZINC000005110948 506422126 /nfs/dbraw/zinc/42/21/26/506422126.db2.gz HIWPUHHPLVXRJS-XLKWYTADSA-N -1 3 369.465 2.853 20 30 FFEDHM COc1ccccc1[C@H](C/N=C/c1c([O-])c(C)ncc1CO)N1CCCC1 ZINC000005111008 506422733 /nfs/dbraw/zinc/42/27/33/506422733.db2.gz VKROOCKNVDYPQH-OZNZCJATSA-N -1 3 369.465 2.853 20 30 FFEDHM C=CCN1C(=O)c2ccc(C(=O)[N-]c3nnc(SCC)s3)cc2C1=O ZINC000006232349 506473037 /nfs/dbraw/zinc/47/30/37/506473037.db2.gz MRWVDDQAQUQUOV-UHFFFAOYSA-N -1 3 374.447 2.684 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000066727212 506624432 /nfs/dbraw/zinc/62/44/32/506624432.db2.gz GIKXAACBXWVHRI-UHFFFAOYSA-N -1 3 366.464 2.620 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000055555042 506775396 /nfs/dbraw/zinc/77/53/96/506775396.db2.gz SJIXBCVZHNOOEE-UHFFFAOYSA-N -1 3 352.362 2.681 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000055975772 506901224 /nfs/dbraw/zinc/90/12/24/506901224.db2.gz UYLPKGKLVMKPQK-UHFFFAOYSA-N -1 3 359.455 2.584 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)CCO2)c1 ZINC000367128470 512350634 /nfs/dbraw/zinc/35/06/34/512350634.db2.gz BIGLCAWKJWOHBU-SFHVURJKSA-N -1 3 355.369 2.686 20 30 FFEDHM COc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000029046594 507755623 /nfs/dbraw/zinc/75/56/23/507755623.db2.gz OLOGHJVMRLYXDI-GOSISDBHSA-N -1 3 369.396 2.563 20 30 FFEDHM O=C(COc1cccc(N2CCCC2=O)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389396 507776566 /nfs/dbraw/zinc/77/65/66/507776566.db2.gz WBAUNWBRQDDZFK-UHFFFAOYSA-N -1 3 369.303 2.617 20 30 FFEDHM O=C(COc1cccc(N2CCCC2=O)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389396 507776570 /nfs/dbraw/zinc/77/65/70/507776570.db2.gz WBAUNWBRQDDZFK-UHFFFAOYSA-N -1 3 369.303 2.617 20 30 FFEDHM C=C[C@@H](CC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000091753128 508008296 /nfs/dbraw/zinc/00/82/96/508008296.db2.gz KBBWEKFUSDWJAC-YJBOKZPZSA-N -1 3 363.417 2.736 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112630160 508203446 /nfs/dbraw/zinc/20/34/46/508203446.db2.gz GXCSROQKZVYMRR-SNVBAGLBSA-N -1 3 362.227 2.912 20 30 FFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000097106329 508219604 /nfs/dbraw/zinc/21/96/04/508219604.db2.gz IAUBKQGMFWIQSR-SECBINFHSA-N -1 3 373.319 2.984 20 30 FFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000097106329 508219605 /nfs/dbraw/zinc/21/96/05/508219605.db2.gz IAUBKQGMFWIQSR-SECBINFHSA-N -1 3 373.319 2.984 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000097106329 508219608 /nfs/dbraw/zinc/21/96/08/508219608.db2.gz IAUBKQGMFWIQSR-SECBINFHSA-N -1 3 373.319 2.984 20 30 FFEDHM CC(=O)c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000077289119 508296036 /nfs/dbraw/zinc/29/60/36/508296036.db2.gz AEMCSBCEHXUZPX-UHFFFAOYSA-N -1 3 352.390 2.913 20 30 FFEDHM N#Cc1cnn(-c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2)c1N ZINC000104861905 508350020 /nfs/dbraw/zinc/35/00/20/508350020.db2.gz DVZQIAZBNNTCTE-UHFFFAOYSA-N -1 3 353.769 2.937 20 30 FFEDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000156589612 508445228 /nfs/dbraw/zinc/44/52/28/508445228.db2.gz QMDKKULNOJNSAQ-INIZCTEOSA-N -1 3 364.854 2.786 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116096434 508471230 /nfs/dbraw/zinc/47/12/30/508471230.db2.gz UBDQTQDRZSNKLK-SUMWQHHRSA-N -1 3 371.387 2.747 20 30 FFEDHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157721666 508602531 /nfs/dbraw/zinc/60/25/31/508602531.db2.gz ZGMGHZLXLFGAMN-BLLLJJGKSA-N -1 3 354.447 2.817 20 30 FFEDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157830214 508619442 /nfs/dbraw/zinc/61/94/42/508619442.db2.gz NXZUKRCRXQYFDV-SECBINFHSA-N -1 3 353.831 2.726 20 30 FFEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000129069723 508678825 /nfs/dbraw/zinc/67/88/25/508678825.db2.gz IBEHIFIEZIGFNG-UHFFFAOYSA-N -1 3 362.282 2.507 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2c(Cl)cccc21 ZINC000158543320 508719728 /nfs/dbraw/zinc/71/97/28/508719728.db2.gz NJTOEVSEYPOXQS-UHFFFAOYSA-N -1 3 371.824 2.875 20 30 FFEDHM N#Cc1ccc(NCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151590007 509048807 /nfs/dbraw/zinc/04/88/07/509048807.db2.gz QNRXIFYFESONDK-UHFFFAOYSA-N -1 3 360.211 2.755 20 30 FFEDHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000161079413 509068642 /nfs/dbraw/zinc/06/86/42/509068642.db2.gz NBLCTDUITRXIRX-UHFFFAOYSA-N -1 3 353.411 2.810 20 30 FFEDHM C[C@@H]1CCCC[C@@H]1[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cccc([O-])c1 ZINC000151928352 509112686 /nfs/dbraw/zinc/11/26/86/509112686.db2.gz NSXAYWVJCIHQBA-CJNGLKHVSA-O -1 3 373.502 2.520 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC000156050037 509116848 /nfs/dbraw/zinc/11/68/48/509116848.db2.gz NHYSCLDVELZVGP-OAHLLOKOSA-N -1 3 357.391 2.822 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000121470756 509175615 /nfs/dbraw/zinc/17/56/15/509175615.db2.gz KSPBCYXTKQNCAI-OAHLLOKOSA-N -1 3 350.827 2.614 20 30 FFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)C2CC2)s1 ZINC000173487438 509631704 /nfs/dbraw/zinc/63/17/04/509631704.db2.gz RBGTZVPBMFSBKL-AWEZNQCLSA-N -1 3 351.428 2.892 20 30 FFEDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000179862287 509651426 /nfs/dbraw/zinc/65/14/26/509651426.db2.gz DGXPLHNBXFGSHH-CVEARBPZSA-N -1 3 354.447 2.959 20 30 FFEDHM CN(CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000186396392 509689141 /nfs/dbraw/zinc/68/91/41/509689141.db2.gz IUGPXBUJAQCXKM-UHFFFAOYSA-N -1 3 363.870 2.622 20 30 FFEDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(F)c(C#N)c1)C(=O)C2 ZINC000183349659 509730208 /nfs/dbraw/zinc/73/02/08/509730208.db2.gz GLXNBCMOIMOGBO-SJKOYZFVSA-N -1 3 350.415 2.834 20 30 FFEDHM CCCCO[C@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000176872089 509736301 /nfs/dbraw/zinc/73/63/01/509736301.db2.gz KRRWAQSYDOGHPR-ROUUACIJSA-N -1 3 373.497 2.896 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000183377914 509749022 /nfs/dbraw/zinc/74/90/22/509749022.db2.gz CDEYNACISUZMRS-MRXNPFEDSA-N -1 3 363.870 2.793 20 30 FFEDHM COc1cccc([C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCCC2)c1 ZINC000189874755 509802322 /nfs/dbraw/zinc/80/23/22/509802322.db2.gz LKHDWCBASMGQHK-LJQANCHMSA-N -1 3 365.433 2.839 20 30 FFEDHM Cc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)c(O[C@H]2CCOC2)c1 ZINC000268201170 509811477 /nfs/dbraw/zinc/81/14/77/509811477.db2.gz YRPBYGFCBZZCSV-GVLJNOETSA-N -1 3 356.422 2.683 20 30 FFEDHM COCc1nc(SCC(=O)N(CCC#N)c2cccc(C)c2C)n[n-]1 ZINC000268496290 509968500 /nfs/dbraw/zinc/96/85/00/509968500.db2.gz QIJCMUYPPIKJIV-UHFFFAOYSA-N -1 3 359.455 2.607 20 30 FFEDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000245777424 510141626 /nfs/dbraw/zinc/14/16/26/510141626.db2.gz BFWOBWMCGQMYGM-DMDKVIGKSA-N -1 3 374.915 2.570 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](CC)CSC)ccc1F ZINC000180977977 510218984 /nfs/dbraw/zinc/21/89/84/510218984.db2.gz XNTFHTFQRMWJAC-ZDUSSCGKSA-N -1 3 374.503 2.504 20 30 FFEDHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)n2C ZINC000184359208 510283590 /nfs/dbraw/zinc/28/35/90/510283590.db2.gz UZCSGOXULYAXIV-UHFFFAOYSA-N -1 3 374.853 2.885 20 30 FFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)cc1F ZINC000181291169 510341421 /nfs/dbraw/zinc/34/14/21/510341421.db2.gz BJGWSIZFJUCIAJ-ZETCQYMHSA-N -1 3 360.242 2.664 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000177995682 510364872 /nfs/dbraw/zinc/36/48/72/510364872.db2.gz INUIMXVBCADXSJ-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246219692 510373603 /nfs/dbraw/zinc/37/36/03/510373603.db2.gz UPLPRMGJEHEXNA-SOHPYSCWSA-N -1 3 374.915 2.570 20 30 FFEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190861379 510378507 /nfs/dbraw/zinc/37/85/07/510378507.db2.gz JGANZYONJQFRLV-AWEZNQCLSA-N -1 3 359.875 2.734 20 30 FFEDHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000181500443 510441133 /nfs/dbraw/zinc/44/11/33/510441133.db2.gz VWUIVBLALNFJKH-LBPRGKRZSA-N -1 3 366.347 2.643 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC1CCC1)CC(F)(F)F ZINC000175046508 510458748 /nfs/dbraw/zinc/45/87/48/510458748.db2.gz QRCZPYFVERHYNZ-UHFFFAOYSA-N -1 3 369.387 2.987 20 30 FFEDHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000194644879 510463164 /nfs/dbraw/zinc/46/31/64/510463164.db2.gz CEJDQQYBHJGVNB-UHFFFAOYSA-N -1 3 363.826 2.714 20 30 FFEDHM CS(=O)(=O)C1(C/N=C/c2cc(Br)ccc2[O-])CCCC1 ZINC000285450545 510911556 /nfs/dbraw/zinc/91/15/56/510911556.db2.gz QAYKCQYGTAGGBJ-CXUHLZMHSA-N -1 3 360.273 2.931 20 30 FFEDHM C=CCCN(C)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OCC ZINC000276474784 510940643 /nfs/dbraw/zinc/94/06/43/510940643.db2.gz SBQYLJHDLJLKCG-UHFFFAOYSA-N -1 3 350.440 2.775 20 30 FFEDHM O=C(c1nccs1)C(C(=S)[N-]C(C1CC1)C1CC1)[n+]1cccc([O-])c1 ZINC000278204221 510985139 /nfs/dbraw/zinc/98/51/39/510985139.db2.gz HHFRNRJXZJGVMT-UHFFFAOYSA-O -1 3 374.511 2.853 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CC(C)(C)C#N)ccc1F ZINC000278300406 510987858 /nfs/dbraw/zinc/98/78/58/510987858.db2.gz HVTOHAGYZSJFFU-UHFFFAOYSA-N -1 3 355.435 2.781 20 30 FFEDHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000330990588 511035281 /nfs/dbraw/zinc/03/52/81/511035281.db2.gz SFPUUZRQBVSAPH-LURJTMIESA-N -1 3 359.274 2.900 20 30 FFEDHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000330990588 511035285 /nfs/dbraw/zinc/03/52/85/511035285.db2.gz SFPUUZRQBVSAPH-LURJTMIESA-N -1 3 359.274 2.900 20 30 FFEDHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000330990588 511035288 /nfs/dbraw/zinc/03/52/88/511035288.db2.gz SFPUUZRQBVSAPH-LURJTMIESA-N -1 3 359.274 2.900 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c(F)cc1Br ZINC000331899791 511074271 /nfs/dbraw/zinc/07/42/71/511074271.db2.gz BTUXDGZUMVRXLI-CYBMUJFWSA-N -1 3 361.236 2.867 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](CO)C1CCCCC1 ZINC000294503580 511086944 /nfs/dbraw/zinc/08/69/44/511086944.db2.gz JWDULKJGBLDOSJ-MRXNPFEDSA-N -1 3 359.470 2.513 20 30 FFEDHM C=CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000289764483 511113783 /nfs/dbraw/zinc/11/37/83/511113783.db2.gz RYFAQSYZWDNRFQ-OAHLLOKOSA-N -1 3 369.469 2.646 20 30 FFEDHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000279816046 511227074 /nfs/dbraw/zinc/22/70/74/511227074.db2.gz APZPHKZCFVMXMW-UHFFFAOYSA-N -1 3 371.462 2.699 20 30 FFEDHM CCCCNC(=O)c1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000298632278 511355871 /nfs/dbraw/zinc/35/58/71/511355871.db2.gz GOEYEMXXAAJWPS-CIAFOILYSA-N -1 3 355.438 2.737 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1[O-] ZINC000280360687 511436910 /nfs/dbraw/zinc/43/69/10/511436910.db2.gz BTVMXGXXBHDCDK-UGTBAGEHSA-N -1 3 355.438 2.952 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(N2CCC2=O)c1 ZINC000280440658 511466323 /nfs/dbraw/zinc/46/63/23/511466323.db2.gz KALPSMXXKKFJLU-UHFFFAOYSA-N -1 3 364.405 2.584 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(F)cnc1Cl ZINC000295768981 511509808 /nfs/dbraw/zinc/50/98/08/511509808.db2.gz JLUZQOJPAWNVEO-UHFFFAOYSA-N -1 3 362.792 2.712 20 30 FFEDHM O=C(Nc1cccc(C/N=C/c2ccc(O)c([O-])c2O)c1)[C@@H]1CCCO1 ZINC000299212231 511553843 /nfs/dbraw/zinc/55/38/43/511553843.db2.gz JURNFWYHKSGWER-YODDIOPGSA-N -1 3 356.378 2.540 20 30 FFEDHM C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000274005752 511688920 /nfs/dbraw/zinc/68/89/20/511688920.db2.gz FRAUYIKHLARFQG-UHFFFAOYSA-N -1 3 368.886 2.655 20 30 FFEDHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000310279983 511771337 /nfs/dbraw/zinc/77/13/37/511771337.db2.gz KSJJMHILSQLRME-BBRMVZONSA-N -1 3 361.492 2.561 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000274269708 511775188 /nfs/dbraw/zinc/77/51/88/511775188.db2.gz MIHLDVWFNGARGB-IAGOWNOFSA-N -1 3 359.470 2.917 20 30 FFEDHM C=CC[C@H](CC)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000281260746 511779755 /nfs/dbraw/zinc/77/97/55/511779755.db2.gz GWUAXWOVYZNVQG-ZDUSSCGKSA-N -1 3 371.528 2.555 20 30 FFEDHM Cc1cc(Cl)nc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000281835962 511983597 /nfs/dbraw/zinc/98/35/97/511983597.db2.gz WCCXBNJUYTWIAY-UHFFFAOYSA-N -1 3 358.829 2.882 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000281884513 511998869 /nfs/dbraw/zinc/99/88/69/511998869.db2.gz DHPROXWNSYRDHX-OAHLLOKOSA-N -1 3 354.859 2.839 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2CC23CCCCC3)ccc1F ZINC000329246699 512012845 /nfs/dbraw/zinc/01/28/45/512012845.db2.gz RGTDDOSCHGVTDL-CQSZACIVSA-N -1 3 355.435 2.592 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)N[C@H]2CCCC(F)(F)C2)NC(=O)[N-]C1=O ZINC000329283029 512019803 /nfs/dbraw/zinc/01/98/03/512019803.db2.gz NEVOQCGNZPDINR-ZIBATOQPSA-N -1 3 358.389 2.976 20 30 FFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275104591 512043353 /nfs/dbraw/zinc/04/33/53/512043353.db2.gz UVALFPUYXIFBCW-NSHDSACASA-N -1 3 366.266 2.786 20 30 FFEDHM Cc1cc(=NC(=O)c2cn[n-]c2-c2cc3ccccc3o2)[nH]n1CCC#N ZINC000368714269 513073054 /nfs/dbraw/zinc/07/30/54/513073054.db2.gz ZBDKBTGHSCGTPE-UHFFFAOYSA-N -1 3 360.377 2.916 20 30 FFEDHM Cc1cc(=NC(=O)c2c[n-]nc2-c2cc3ccccc3o2)[nH]n1CCC#N ZINC000368714269 513073057 /nfs/dbraw/zinc/07/30/57/513073057.db2.gz ZBDKBTGHSCGTPE-UHFFFAOYSA-N -1 3 360.377 2.916 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000447255478 513428078 /nfs/dbraw/zinc/42/80/78/513428078.db2.gz GTDCMKFKZWBKTI-UHFFFAOYSA-N -1 3 357.370 2.592 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000435431607 513583030 /nfs/dbraw/zinc/58/30/30/513583030.db2.gz DYXHFQIUZDZPLS-CQSZACIVSA-N -1 3 366.266 2.877 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000435430844 513583306 /nfs/dbraw/zinc/58/33/06/513583306.db2.gz ALQYPPGQIQFNRC-ZDUSSCGKSA-N -1 3 356.856 2.939 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccccc1 ZINC000451326501 513677167 /nfs/dbraw/zinc/67/71/67/513677167.db2.gz DLTSCWIAJOCXPA-HNNXBMFYSA-N -1 3 366.483 2.929 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000416461869 513784857 /nfs/dbraw/zinc/78/48/57/513784857.db2.gz ZNMNNFKMWMPELZ-ZDUSSCGKSA-N -1 3 373.272 2.558 20 30 FFEDHM CC(C)SCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416490421 513800757 /nfs/dbraw/zinc/80/07/57/513800757.db2.gz VOYWTGWDBALPOJ-UHFFFAOYSA-N -1 3 363.302 2.741 20 30 FFEDHM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 ZINC000416609825 513865489 /nfs/dbraw/zinc/86/54/89/513865489.db2.gz VUMVJYTXOBTIIA-CKYFFXLPSA-N -1 3 362.373 2.669 20 30 FFEDHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000443085044 513867155 /nfs/dbraw/zinc/86/71/55/513867155.db2.gz IVEVMPZOHBJSAI-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)Oc1ccccc1 ZINC000443121390 513878323 /nfs/dbraw/zinc/87/83/23/513878323.db2.gz DCOKVMYOLRTWEC-GFCCVEGCSA-N -1 3 350.827 2.957 20 30 FFEDHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443250700 513910475 /nfs/dbraw/zinc/91/04/75/513910475.db2.gz OIQAWWWNTMJWPI-ZWKOTPCHSA-N -1 3 360.410 2.714 20 30 FFEDHM COc1cc(C)cc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1[O-] ZINC000436671126 513937587 /nfs/dbraw/zinc/93/75/87/513937587.db2.gz HOVCPILQWPWFMA-UHFFFAOYSA-N -1 3 366.352 2.580 20 30 FFEDHM C=CCC1(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCCCC1 ZINC000448866849 513940927 /nfs/dbraw/zinc/94/09/27/513940927.db2.gz ISGRPCSRKQFWDR-HXUWFJFHSA-N -1 3 369.465 2.884 20 30 FFEDHM CC(C)CC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC1 ZINC000443349422 513945439 /nfs/dbraw/zinc/94/54/39/513945439.db2.gz FRFZYJPJGZOHLS-UHFFFAOYSA-N -1 3 351.428 2.961 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1ccccc1F ZINC000443357744 513949244 /nfs/dbraw/zinc/94/92/44/513949244.db2.gz LSDVJTQRFDGMGM-AWEZNQCLSA-N -1 3 366.389 2.972 20 30 FFEDHM CCc1ccc([C@H](C#N)NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436730811 513959974 /nfs/dbraw/zinc/95/99/74/513959974.db2.gz IMOIWKAXWOCULP-SFHVURJKSA-N -1 3 365.433 2.764 20 30 FFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000451811205 513995840 /nfs/dbraw/zinc/99/58/40/513995840.db2.gz MULKMOSTJSNZAT-UHFFFAOYSA-N -1 3 374.890 2.541 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)c3c([O-])cccc3O)ccc21 ZINC000436855680 514008444 /nfs/dbraw/zinc/00/84/44/514008444.db2.gz QHEVJVCGNQHQKK-UHFFFAOYSA-N -1 3 365.389 2.933 20 30 FFEDHM CCOc1ccc(C#N)cc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000436950153 514045134 /nfs/dbraw/zinc/04/51/34/514045134.db2.gz MIKQAKGHMXUETR-UHFFFAOYSA-N -1 3 367.405 2.730 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000416934044 514053073 /nfs/dbraw/zinc/05/30/73/514053073.db2.gz CMIPQEJYBCKWET-AWEZNQCLSA-N -1 3 365.842 2.594 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1ccc(C)c(C)c1 ZINC000443895821 514065187 /nfs/dbraw/zinc/06/51/87/514065187.db2.gz KQTGRFPUMKNFAZ-GOSISDBHSA-N -1 3 372.446 2.676 20 30 FFEDHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000420734355 514266730 /nfs/dbraw/zinc/26/67/30/514266730.db2.gz VZFXTUMYIGFOQB-NEPJUHHUSA-N -1 3 362.373 2.813 20 30 FFEDHM C=C(C)[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(F)c(F)c1 ZINC000427817105 514323481 /nfs/dbraw/zinc/32/34/81/514323481.db2.gz KYNDQLFPELWWKE-SFHVURJKSA-N -1 3 360.360 2.834 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000444884784 514361012 /nfs/dbraw/zinc/36/10/12/514361012.db2.gz YPLYWUPKHNFNHM-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428263583 514436164 /nfs/dbraw/zinc/43/61/64/514436164.db2.gz WNSFYUIAGJUPKR-MEDUHNTESA-N -1 3 365.842 2.661 20 30 FFEDHM CCOC[C@H](NCc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000417610505 514437289 /nfs/dbraw/zinc/43/72/89/514437289.db2.gz TWLHNCGDXNIHSK-IBGZPJMESA-N -1 3 354.406 2.717 20 30 FFEDHM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428267605 514437516 /nfs/dbraw/zinc/43/75/16/514437516.db2.gz OYXMGEOKTLWLSI-LLVKDONJSA-N -1 3 369.368 2.882 20 30 FFEDHM CCCc1c([N-]S(=O)(=O)N2CCC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000438807256 514445820 /nfs/dbraw/zinc/44/58/20/514445820.db2.gz DKUXSWPAVVDOLB-AWEZNQCLSA-N -1 3 373.482 2.837 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000428373170 514460521 /nfs/dbraw/zinc/46/05/21/514460521.db2.gz KRZOSXVQUVOPKP-LBPRGKRZSA-N -1 3 355.341 2.578 20 30 FFEDHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C)no1 ZINC000438898991 514463192 /nfs/dbraw/zinc/46/31/92/514463192.db2.gz UTXLBRNECIQION-UHFFFAOYSA-N -1 3 368.418 2.704 20 30 FFEDHM N#Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC000439433066 514551517 /nfs/dbraw/zinc/55/15/17/514551517.db2.gz YFFQAQSBUGNTJF-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1ccccc1SCC#N ZINC000470835867 514633862 /nfs/dbraw/zinc/63/38/62/514633862.db2.gz JEWQVQAOEKLHPV-UHFFFAOYSA-N -1 3 361.452 2.516 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000470841848 514636571 /nfs/dbraw/zinc/63/65/71/514636571.db2.gz VZDRHZCUDVHASL-UHFFFAOYSA-N -1 3 369.244 2.663 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1cc(F)ccc1F ZINC000489442946 514848938 /nfs/dbraw/zinc/84/89/38/514848938.db2.gz HJSSMHFCMSXFQF-INIZCTEOSA-N -1 3 351.378 2.970 20 30 FFEDHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476304331 514991908 /nfs/dbraw/zinc/99/19/08/514991908.db2.gz HLYBVIVAJXWIFA-OAHLLOKOSA-N -1 3 366.483 2.856 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489867824 515005464 /nfs/dbraw/zinc/00/54/64/515005464.db2.gz CLHZJDPEAUIRMX-JDNHERCYSA-N -1 3 350.346 2.637 20 30 FFEDHM CNC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000503564392 515084187 /nfs/dbraw/zinc/08/41/87/515084187.db2.gz YLGCPVSAPNJZBZ-LLVKDONJSA-N -1 3 369.331 2.676 20 30 FFEDHM CC1CCC(C)(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000480979286 515159281 /nfs/dbraw/zinc/15/92/81/515159281.db2.gz LEWZQNOJDZJLQA-UHFFFAOYSA-N -1 3 351.428 2.961 20 30 FFEDHM C=CCCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000468393226 515337897 /nfs/dbraw/zinc/33/78/97/515337897.db2.gz BBMKCGBTUGECOY-UHFFFAOYSA-N -1 3 354.453 2.516 20 30 FFEDHM C=C(CC)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000456828282 515446142 /nfs/dbraw/zinc/44/61/42/515446142.db2.gz LDADSFKQODGQDW-UHFFFAOYSA-N -1 3 365.282 2.744 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000486466155 515493276 /nfs/dbraw/zinc/49/32/76/515493276.db2.gz JGZPEFOHSZSSRQ-ZDUSSCGKSA-N -1 3 357.435 2.980 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)nc(C)n1 ZINC000505306285 515501149 /nfs/dbraw/zinc/50/11/49/515501149.db2.gz SJAAIBKPSZNVMK-ZQIUZPCESA-N -1 3 365.437 2.592 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccncc2Br)ccc1Cl ZINC000481942754 515521096 /nfs/dbraw/zinc/52/10/96/515521096.db2.gz LUEHXAAOROTBQF-UHFFFAOYSA-N -1 3 372.631 2.592 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000473370575 515591362 /nfs/dbraw/zinc/59/13/62/515591362.db2.gz SCASQFHUUVKRBB-UHFFFAOYSA-N -1 3 362.451 2.715 20 30 FFEDHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000510734090 515651679 /nfs/dbraw/zinc/65/16/79/515651679.db2.gz UBWBEQXOZZHPQS-LZLYRXPVSA-N -1 3 371.462 2.583 20 30 FFEDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000469258629 515744304 /nfs/dbraw/zinc/74/43/04/515744304.db2.gz QFXDJGYBGKFVGN-UHFFFAOYSA-N -1 3 368.212 2.531 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)c(F)c1 ZINC000479123460 516066321 /nfs/dbraw/zinc/06/63/21/516066321.db2.gz KDRHJPINNSJGRA-GOSISDBHSA-N -1 3 360.410 2.564 20 30 FFEDHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000535455021 516360888 /nfs/dbraw/zinc/36/08/88/516360888.db2.gz RJNVXWDDJRGOMM-CJNGLKHVSA-N -1 3 370.858 2.612 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c[n-]c2ccncc2c1=O ZINC000561108720 516384075 /nfs/dbraw/zinc/38/40/75/516384075.db2.gz SKNNOXKWDKRGDM-UHFFFAOYSA-N -1 3 366.380 2.970 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000561517745 516628475 /nfs/dbraw/zinc/62/84/75/516628475.db2.gz ACBIDZKTUNVHHZ-UHFFFAOYSA-N -1 3 371.178 2.942 20 30 FFEDHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000536199625 516674225 /nfs/dbraw/zinc/67/42/25/516674225.db2.gz RXGRAPJSFJTFKQ-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC000548119787 516775133 /nfs/dbraw/zinc/77/51/33/516775133.db2.gz CIJWJSKKYOJIKK-UHFFFAOYSA-N -1 3 352.847 2.523 20 30 FFEDHM N#C[C@H]1N(C(=O)c2c[n-]c3ccccc3c2=O)CCC[C@@]12CCCCO2 ZINC000548386518 516949053 /nfs/dbraw/zinc/94/90/53/516949053.db2.gz ANOIHCJGQZSEHS-XLIONFOSSA-N -1 3 351.406 2.596 20 30 FFEDHM C=CCCc1ccccc1NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000562276268 517001285 /nfs/dbraw/zinc/00/12/85/517001285.db2.gz WQOPQRIDUADALT-MGPUTAFESA-N -1 3 370.453 2.790 20 30 FFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C2CC2)s1 ZINC000525699015 517123296 /nfs/dbraw/zinc/12/32/96/517123296.db2.gz VNEWMTPWYKSWQX-CQSZACIVSA-N -1 3 351.428 2.892 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c(Br)ccc2ccccc21 ZINC000529428263 517144176 /nfs/dbraw/zinc/14/41/76/517144176.db2.gz MFMCUVZYCNAIQO-ZDUSSCGKSA-N -1 3 363.211 2.712 20 30 FFEDHM COc1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c([O-])c1 ZINC000553188541 517566823 /nfs/dbraw/zinc/56/68/23/517566823.db2.gz AMTBTAKNPKIIHW-CYBMUJFWSA-N -1 3 355.369 2.877 20 30 FFEDHM N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3ccc([O-])cc3Cl)C2)nc1 ZINC000553243960 517597694 /nfs/dbraw/zinc/59/76/94/517597694.db2.gz GAZODCWOJQPCOG-OAHLLOKOSA-N -1 3 357.797 2.535 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO[C@H]1C1CC1 ZINC000546636422 517767745 /nfs/dbraw/zinc/76/77/45/517767745.db2.gz UKWZNBBOVSROHC-HOTGVXAUSA-N -1 3 354.859 2.695 20 30 FFEDHM C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)C1 ZINC000563316263 517817019 /nfs/dbraw/zinc/81/70/19/517817019.db2.gz VAFGZJVGNOOJRM-QWRGUYRKSA-N -1 3 359.398 2.794 20 30 FFEDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000539222783 517952797 /nfs/dbraw/zinc/95/27/97/517952797.db2.gz ALNAIALUNHEJRV-JTQLQIEISA-N -1 3 352.403 2.997 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(C)o1 ZINC000539796864 518162168 /nfs/dbraw/zinc/16/21/68/518162168.db2.gz LGQJCCKMMQYJHQ-CQSZACIVSA-N -1 3 352.387 2.655 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000569621060 518209246 /nfs/dbraw/zinc/20/92/46/518209246.db2.gz HYVPIUBBCCWZNU-UHFFFAOYSA-N -1 3 354.366 2.796 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000578520275 518250152 /nfs/dbraw/zinc/25/01/52/518250152.db2.gz UQEVXOSNVUGPDT-UHFFFAOYSA-N -1 3 364.405 2.615 20 30 FFEDHM O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000569766703 518278919 /nfs/dbraw/zinc/27/89/19/518278919.db2.gz VYJNTBHUGNUKJH-UHFFFAOYSA-N -1 3 355.397 2.781 20 30 FFEDHM N#Cc1ccc(CN2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000578938943 518443808 /nfs/dbraw/zinc/44/38/08/518443808.db2.gz QGMZJMWPUPNSAC-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000570555532 518664948 /nfs/dbraw/zinc/66/49/48/518664948.db2.gz RFICSVOHLJXUNP-LBPRGKRZSA-N -1 3 354.391 2.648 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000580142224 519022791 /nfs/dbraw/zinc/02/27/91/519022791.db2.gz INLRKUJGGZHJFV-UHFFFAOYSA-N -1 3 368.256 2.826 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000571712838 519235630 /nfs/dbraw/zinc/23/56/30/519235630.db2.gz CJISVDYBRGFZGQ-UHFFFAOYSA-N -1 3 370.453 2.504 20 30 FFEDHM C=CCCC1(c2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)CC1 ZINC000577798627 519259615 /nfs/dbraw/zinc/25/96/15/519259615.db2.gz ZVWOSKLYQBTCIB-SFHVURJKSA-N -1 3 352.394 2.789 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)C(=O)OC(C)C ZINC000571915882 519345257 /nfs/dbraw/zinc/34/52/57/519345257.db2.gz MGHDCXWJWVDVMB-KRWDZBQOSA-N -1 3 366.483 2.538 20 30 FFEDHM N#CCC1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000577974698 519352037 /nfs/dbraw/zinc/35/20/37/519352037.db2.gz RJIVZSCVKWCALG-UHFFFAOYSA-N -1 3 366.830 2.503 20 30 FFEDHM N#Cc1cc(Br)ccc1CSc1nc2nncc-2c(O)[n-]1 ZINC000574938783 519413069 /nfs/dbraw/zinc/41/30/69/519413069.db2.gz PVEBRAFBCAKOEQ-UHFFFAOYSA-N -1 3 362.212 2.985 20 30 FFEDHM Cc1cc(C)n2nc(C(=O)[N-]c3ccccc3SCCC#N)nc2n1 ZINC000580969635 519453837 /nfs/dbraw/zinc/45/38/37/519453837.db2.gz QNFUBBVUVHVIGH-UHFFFAOYSA-N -1 3 352.423 2.999 20 30 FFEDHM C=CCOCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000591102681 519514010 /nfs/dbraw/zinc/51/40/10/519514010.db2.gz PQHSQGFTFFGQJC-UHFFFAOYSA-N -1 3 360.435 2.937 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(C)C)C1(CO)CC=CC1 ZINC000594375855 519923366 /nfs/dbraw/zinc/92/33/66/519923366.db2.gz JTUIKVQZZXBHGY-IBGZPJMESA-N -1 3 371.481 2.678 20 30 FFEDHM CC(C)Cn1cnc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594480889 519989598 /nfs/dbraw/zinc/98/95/98/519989598.db2.gz FLCDJLIIBAGYMV-UHFFFAOYSA-N -1 3 358.467 2.768 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594482722 519990392 /nfs/dbraw/zinc/99/03/92/519990392.db2.gz DLOILGKYDHXRKG-GJZGRUSLSA-N -1 3 353.875 2.507 20 30 FFEDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C1CCCCCC1 ZINC000594481443 519990579 /nfs/dbraw/zinc/99/05/79/519990579.db2.gz BUGBYVRKNGNXJX-HNNXBMFYSA-N -1 3 358.504 2.748 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)c1 ZINC000594489131 519998301 /nfs/dbraw/zinc/99/83/01/519998301.db2.gz SRGKRQIJTPAFLO-ZDUSSCGKSA-N -1 3 354.859 2.982 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594490723 520000734 /nfs/dbraw/zinc/00/07/34/520000734.db2.gz HRHJATLHBXJASC-CQSZACIVSA-N -1 3 354.859 2.982 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)[C@H]1CCOC1 ZINC000594756908 520136532 /nfs/dbraw/zinc/13/65/32/520136532.db2.gz DIJHAEJHWUYLLP-YPMHNXCESA-N -1 3 350.465 2.785 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594776949 520150942 /nfs/dbraw/zinc/15/09/42/520150942.db2.gz QKFXVUUODWJTTO-CQSZACIVSA-N -1 3 350.465 2.785 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)C1 ZINC000594777591 520152852 /nfs/dbraw/zinc/15/28/52/520152852.db2.gz YULOWPLORNRBGB-OLZOCXBDSA-N -1 3 350.465 2.521 20 30 FFEDHM CC[C@]1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCOC1 ZINC000594781665 520155087 /nfs/dbraw/zinc/15/50/87/520155087.db2.gz WWMRPVKVGISVAR-INIZCTEOSA-N -1 3 350.465 2.929 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)C1(CO)CC1 ZINC000594827021 520174987 /nfs/dbraw/zinc/17/49/87/520174987.db2.gz KIYLEQRZVPCJDX-NSHDSACASA-N -1 3 350.465 2.521 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OC)C1 ZINC000595123786 520307204 /nfs/dbraw/zinc/30/72/04/520307204.db2.gz OHVMSBDFYQCDCF-LBPRGKRZSA-N -1 3 350.440 2.596 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](CC#N)C2)c1 ZINC000597906687 520317402 /nfs/dbraw/zinc/31/74/02/520317402.db2.gz PUFIQSQBQVAKQP-ZDUSSCGKSA-N -1 3 368.393 2.707 20 30 FFEDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000600653753 520376808 /nfs/dbraw/zinc/37/68/08/520376808.db2.gz NLUJUNABTDYVMM-GOSISDBHSA-N -1 3 362.426 2.891 20 30 FFEDHM C=CC1CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000600821639 520487739 /nfs/dbraw/zinc/48/77/39/520487739.db2.gz GVYSMMSGACLZIK-UHFFFAOYSA-N -1 3 367.471 2.887 20 30 FFEDHM CC(C)(C)c1ccc(C#N)c(N2CCN(C(=O)c3cccc([O-])c3)CC2)n1 ZINC000613417829 520492635 /nfs/dbraw/zinc/49/26/35/520492635.db2.gz QEVBFEJANPWQOL-UHFFFAOYSA-N -1 3 364.449 2.919 20 30 FFEDHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000613926070 520728782 /nfs/dbraw/zinc/72/87/82/520728782.db2.gz TVWIZPGLUAYMPN-DOTOQJQBSA-N -1 3 350.484 2.544 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c1 ZINC000598622743 520748958 /nfs/dbraw/zinc/74/89/58/520748958.db2.gz QLWNQVXCPYAYKW-VIFPVBQESA-N -1 3 365.199 2.644 20 30 FFEDHM N#CCC[C@@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000601376408 520764655 /nfs/dbraw/zinc/76/46/55/520764655.db2.gz FSIYBNFBDSYZHX-LLVKDONJSA-N -1 3 358.345 2.752 20 30 FFEDHM CCOc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000611026022 520951922 /nfs/dbraw/zinc/95/19/22/520951922.db2.gz FYAFNOCDQJBMTB-UHFFFAOYSA-N -1 3 365.842 2.526 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2cnc(OCC)cn2)c(C#N)c1C ZINC000614462701 520978846 /nfs/dbraw/zinc/97/88/46/520978846.db2.gz KHARYWWDPVFBHX-UHFFFAOYSA-N -1 3 360.395 2.546 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)s1 ZINC000611114184 520991275 /nfs/dbraw/zinc/99/12/75/520991275.db2.gz GZIAKICOXIKLJS-BXUZGUMPSA-N -1 3 369.512 2.696 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000611113776 520991611 /nfs/dbraw/zinc/99/16/11/520991611.db2.gz IWMMUWUXMUNVAH-SECBINFHSA-N -1 3 365.333 2.830 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000614557968 521025592 /nfs/dbraw/zinc/02/55/92/521025592.db2.gz UGELADJNQRFTBD-GFCCVEGCSA-N -1 3 372.874 2.583 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](c1ccco1)N1CCCCC1 ZINC000593525248 521049468 /nfs/dbraw/zinc/04/94/68/521049468.db2.gz NMRLYXGWJNSLIV-ZDUSSCGKSA-N -1 3 365.480 2.718 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000593534391 521057689 /nfs/dbraw/zinc/05/76/89/521057689.db2.gz KYUXMYGCZMVCBN-BBRMVZONSA-N -1 3 366.439 2.957 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000593575567 521086559 /nfs/dbraw/zinc/08/65/59/521086559.db2.gz HSHQALYJDGAWMC-ZIAGYGMSSA-N -1 3 366.439 2.957 20 30 FFEDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593596284 521099283 /nfs/dbraw/zinc/09/92/83/521099283.db2.gz OGHZXKDURYXCTK-CYBMUJFWSA-N -1 3 350.465 2.893 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000593605068 521104019 /nfs/dbraw/zinc/10/40/19/521104019.db2.gz FSEMVJSHCLKLST-GHMZBOCLSA-N -1 3 354.478 2.880 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c(Cl)c1 ZINC000593630911 521120247 /nfs/dbraw/zinc/12/02/47/521120247.db2.gz BLLIWWRVZCDDRM-INIZCTEOSA-N -1 3 354.859 2.695 20 30 FFEDHM N#CCC1(CS(=O)(=O)[N-][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000599385171 521189436 /nfs/dbraw/zinc/18/94/36/521189436.db2.gz HLKUBVWWRQKGSS-TZMCWYRMSA-N -1 3 374.384 2.534 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000618716413 521196199 /nfs/dbraw/zinc/19/61/99/521196199.db2.gz LNSWDQLRWSRDRD-HNNXBMFYSA-N -1 3 352.337 2.941 20 30 FFEDHM N#Cc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1[O-] ZINC000615473161 521416320 /nfs/dbraw/zinc/41/63/20/521416320.db2.gz NIYDLOLAERLVEN-UHFFFAOYSA-N -1 3 361.445 2.927 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2cccc(C#N)n2)ccc1F ZINC000602651588 521459841 /nfs/dbraw/zinc/45/98/41/521459841.db2.gz SWJZEZANAHGEBQ-UHFFFAOYSA-N -1 3 362.430 2.781 20 30 FFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccnn1C ZINC000615947438 521584973 /nfs/dbraw/zinc/58/49/73/521584973.db2.gz XUOJXDRSWVRLOV-CYBMUJFWSA-N -1 3 366.874 2.663 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cscc1Br ZINC000632301103 522012218 /nfs/dbraw/zinc/01/22/18/522012218.db2.gz MTPUFDVSZYNBAI-JOYOIKCWSA-N -1 3 366.302 2.770 20 30 FFEDHM N#CCC1(CS(=O)(=O)[N-]CC(=O)c2ccc(F)c3ccccc23)CC1 ZINC000632754976 522263937 /nfs/dbraw/zinc/26/39/37/522263937.db2.gz ZJHFBOPDKKUATP-UHFFFAOYSA-N -1 3 360.410 2.775 20 30 FFEDHM C#CCCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735374967 598826624 /nfs/dbraw/zinc/82/66/24/598826624.db2.gz PWDLFJFQITUFHT-UHFFFAOYSA-N -1 3 363.446 2.912 20 30 FFEDHM C#CCCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735374967 598826625 /nfs/dbraw/zinc/82/66/25/598826625.db2.gz PWDLFJFQITUFHT-UHFFFAOYSA-N -1 3 363.446 2.912 20 30 FFEDHM N#Cc1nccnc1NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737730890 598854663 /nfs/dbraw/zinc/85/46/63/598854663.db2.gz NQKYPELQKJWNFZ-UHFFFAOYSA-N -1 3 360.406 2.869 20 30 FFEDHM COc1ccc2nc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)ccc2c1 ZINC000737119742 598914822 /nfs/dbraw/zinc/91/48/22/598914822.db2.gz DRRMLWZFAJPSSG-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM COc1ccc2nc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)ccc2c1 ZINC000737119742 598914824 /nfs/dbraw/zinc/91/48/24/598914824.db2.gz DRRMLWZFAJPSSG-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM CC(C)(C)c1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cs1 ZINC000735656060 598920691 /nfs/dbraw/zinc/92/06/91/598920691.db2.gz HVCHQYQJJMAQAP-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM CC(C)(C)c1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cs1 ZINC000735656060 598920692 /nfs/dbraw/zinc/92/06/92/598920692.db2.gz HVCHQYQJJMAQAP-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM C#CC(C)(C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735375932 598932231 /nfs/dbraw/zinc/93/22/31/598932231.db2.gz UEUNOQKNFIUKIU-UHFFFAOYSA-N -1 3 361.405 2.587 20 30 FFEDHM C#CC(C)(C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735375932 598932232 /nfs/dbraw/zinc/93/22/32/598932232.db2.gz UEUNOQKNFIUKIU-UHFFFAOYSA-N -1 3 361.405 2.587 20 30 FFEDHM CCOCc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000821383743 607253445 /nfs/dbraw/zinc/25/34/45/607253445.db2.gz IIXPMVCPTIJEEI-UHFFFAOYSA-N -1 3 366.425 2.536 20 30 FFEDHM CCOCc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000821383743 607253446 /nfs/dbraw/zinc/25/34/46/607253446.db2.gz IIXPMVCPTIJEEI-UHFFFAOYSA-N -1 3 366.425 2.536 20 30 FFEDHM N#CCN(C(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000737692399 599110647 /nfs/dbraw/zinc/11/06/47/599110647.db2.gz DWYRUMDWWYTIAF-UHFFFAOYSA-N -1 3 350.407 2.516 20 30 FFEDHM N#CCN(C(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000737692399 599110650 /nfs/dbraw/zinc/11/06/50/599110650.db2.gz DWYRUMDWWYTIAF-UHFFFAOYSA-N -1 3 350.407 2.516 20 30 FFEDHM N#CCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822814897 599116741 /nfs/dbraw/zinc/11/67/41/599116741.db2.gz KVTMEDQNMCDVDK-GDNBJRDFSA-N -1 3 357.373 2.982 20 30 FFEDHM N#CCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822814897 599116744 /nfs/dbraw/zinc/11/67/44/599116744.db2.gz KVTMEDQNMCDVDK-GDNBJRDFSA-N -1 3 357.373 2.982 20 30 FFEDHM Cc1c(C(C)N=Nc2ccccn2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735451132 599148535 /nfs/dbraw/zinc/14/85/35/599148535.db2.gz PKSGOSCPLSCQQG-UHFFFAOYSA-N -1 3 359.397 2.592 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2C#N)CCC3)cc1-c1nnn[n-]1 ZINC000737082092 599156255 /nfs/dbraw/zinc/15/62/55/599156255.db2.gz UDHOUFIRUANPGN-FNORWQNLSA-N -1 3 374.404 2.699 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2C#N)CCC3)cc1-c1nn[n-]n1 ZINC000737082092 599156259 /nfs/dbraw/zinc/15/62/59/599156259.db2.gz UDHOUFIRUANPGN-FNORWQNLSA-N -1 3 374.404 2.699 20 30 FFEDHM Cc1c(C(=O)C=Cc2nccs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202996 599157490 /nfs/dbraw/zinc/15/74/90/599157490.db2.gz QPKOICPVCISAMD-SREVYHEPSA-N -1 3 363.406 2.713 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccc3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000737703851 599192036 /nfs/dbraw/zinc/19/20/36/599192036.db2.gz FZYSHWCCAOKXDJ-CSKARUKUSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000737703851 599192037 /nfs/dbraw/zinc/19/20/37/599192037.db2.gz FZYSHWCCAOKXDJ-CSKARUKUSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)ccc1-c1nnn[n-]1 ZINC000737708660 599196556 /nfs/dbraw/zinc/19/65/56/599196556.db2.gz HXWAAYRUVQHGMU-UHFFFAOYSA-N -1 3 361.340 2.540 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)ccc1-c1nn[n-]n1 ZINC000737708660 599196557 /nfs/dbraw/zinc/19/65/57/599196557.db2.gz HXWAAYRUVQHGMU-UHFFFAOYSA-N -1 3 361.340 2.540 20 30 FFEDHM C[C@@H](OC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000820519500 607263757 /nfs/dbraw/zinc/26/37/57/607263757.db2.gz VJAFYSTYQDXWOW-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@@H](OC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000820519500 607263758 /nfs/dbraw/zinc/26/37/58/607263758.db2.gz VJAFYSTYQDXWOW-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820350430 599261796 /nfs/dbraw/zinc/26/17/96/599261796.db2.gz KSDYHWRLOWJNKG-QWHCGFSZSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820350430 599261797 /nfs/dbraw/zinc/26/17/97/599261797.db2.gz KSDYHWRLOWJNKG-QWHCGFSZSA-N -1 3 361.409 2.860 20 30 FFEDHM C=C(Br)CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735398460 598261565 /nfs/dbraw/zinc/26/15/65/598261565.db2.gz HMVFKSLNDWSFIS-UHFFFAOYSA-N -1 3 364.247 2.619 20 30 FFEDHM C=C(Br)CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735398460 598261567 /nfs/dbraw/zinc/26/15/67/598261567.db2.gz HMVFKSLNDWSFIS-UHFFFAOYSA-N -1 3 364.247 2.619 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(C#N)cc1 ZINC000735662736 598277493 /nfs/dbraw/zinc/27/74/93/598277493.db2.gz WMIOPMYOECAJBW-UHFFFAOYSA-N -1 3 364.413 2.617 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(C#N)cc1 ZINC000735662736 598277494 /nfs/dbraw/zinc/27/74/94/598277494.db2.gz WMIOPMYOECAJBW-UHFFFAOYSA-N -1 3 364.413 2.617 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)nn(CC)c1C ZINC000735419842 598394841 /nfs/dbraw/zinc/39/48/41/598394841.db2.gz IXDILHUIYHVNAG-UHFFFAOYSA-N -1 3 365.441 2.528 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)nn(CC)c1C ZINC000735419842 598394843 /nfs/dbraw/zinc/39/48/43/598394843.db2.gz IXDILHUIYHVNAG-UHFFFAOYSA-N -1 3 365.441 2.528 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736186440 598489720 /nfs/dbraw/zinc/48/97/20/598489720.db2.gz BXAVOFGURBKFQN-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736186440 598489721 /nfs/dbraw/zinc/48/97/21/598489721.db2.gz BXAVOFGURBKFQN-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000737795565 598585503 /nfs/dbraw/zinc/58/55/03/598585503.db2.gz AOZGIZKAMRAWEE-XQRVVYSFSA-N -1 3 361.283 2.882 20 30 FFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000737795565 598585505 /nfs/dbraw/zinc/58/55/05/598585505.db2.gz AOZGIZKAMRAWEE-XQRVVYSFSA-N -1 3 361.283 2.882 20 30 FFEDHM N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737718216 598603805 /nfs/dbraw/zinc/60/38/05/598603805.db2.gz MHRYKEBTTGKXOS-UHFFFAOYSA-N -1 3 371.763 2.581 20 30 FFEDHM N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737718216 598603806 /nfs/dbraw/zinc/60/38/06/598603806.db2.gz MHRYKEBTTGKXOS-UHFFFAOYSA-N -1 3 371.763 2.581 20 30 FFEDHM C[C@H](C#N)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000735502588 598625015 /nfs/dbraw/zinc/62/50/15/598625015.db2.gz GMAGYZPKWGHOKQ-GFCCVEGCSA-N -1 3 364.434 2.907 20 30 FFEDHM C[C@H](C#N)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000735502588 598625016 /nfs/dbraw/zinc/62/50/16/598625016.db2.gz GMAGYZPKWGHOKQ-GFCCVEGCSA-N -1 3 364.434 2.907 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115409 598631615 /nfs/dbraw/zinc/63/16/15/598631615.db2.gz IBQPCKVKNFHOBK-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115409 598631617 /nfs/dbraw/zinc/63/16/17/598631617.db2.gz IBQPCKVKNFHOBK-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735418521 598647513 /nfs/dbraw/zinc/64/75/13/598647513.db2.gz DZIYULMCTJJPPX-UHFFFAOYSA-N -1 3 362.393 2.868 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735418521 598647515 /nfs/dbraw/zinc/64/75/15/598647515.db2.gz DZIYULMCTJJPPX-UHFFFAOYSA-N -1 3 362.393 2.868 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735506009 598691155 /nfs/dbraw/zinc/69/11/55/598691155.db2.gz YISAHDFCAUGNBE-VIOKTNGOSA-N -1 3 372.432 2.911 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735506009 598691157 /nfs/dbraw/zinc/69/11/57/598691157.db2.gz YISAHDFCAUGNBE-VIOKTNGOSA-N -1 3 372.432 2.911 20 30 FFEDHM N#Cc1cn(Cc2cccc(-c3nnn[n-]3)c2)c2ccc(Cl)cc2c1=O ZINC000737727780 598721037 /nfs/dbraw/zinc/72/10/37/598721037.db2.gz ACCIRPUMEULQRL-UHFFFAOYSA-N -1 3 362.780 2.755 20 30 FFEDHM N#Cc1cn(Cc2cccc(-c3nn[n-]n3)c2)c2ccc(Cl)cc2c1=O ZINC000737727780 598721038 /nfs/dbraw/zinc/72/10/38/598721038.db2.gz ACCIRPUMEULQRL-UHFFFAOYSA-N -1 3 362.780 2.755 20 30 FFEDHM C#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)nc1 ZINC000735390233 598735804 /nfs/dbraw/zinc/73/58/04/598735804.db2.gz UMYBMFQOEGRNKU-UHFFFAOYSA-N -1 3 370.372 2.683 20 30 FFEDHM C#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)nc1 ZINC000735390233 598735805 /nfs/dbraw/zinc/73/58/05/598735805.db2.gz UMYBMFQOEGRNKU-UHFFFAOYSA-N -1 3 370.372 2.683 20 30 FFEDHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736501204 599311079 /nfs/dbraw/zinc/31/10/79/599311079.db2.gz ALHMIZMZHOKRAN-CYBMUJFWSA-N -1 3 362.393 2.559 20 30 FFEDHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736501204 599311081 /nfs/dbraw/zinc/31/10/81/599311081.db2.gz ALHMIZMZHOKRAN-CYBMUJFWSA-N -1 3 362.393 2.559 20 30 FFEDHM N#Cc1ccccc1S[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822842650 599350757 /nfs/dbraw/zinc/35/07/57/599350757.db2.gz RXHFSXORRKAKQD-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccccc1S[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822842650 599350759 /nfs/dbraw/zinc/35/07/59/599350759.db2.gz RXHFSXORRKAKQD-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM Cc1cc(C#N)cc(C)c1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822160298 599389429 /nfs/dbraw/zinc/38/94/29/599389429.db2.gz GSFJNSRMXLWNMM-UHFFFAOYSA-N -1 3 373.376 2.984 20 30 FFEDHM Cc1cc(C#N)cc(C)c1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822160298 599389431 /nfs/dbraw/zinc/38/94/31/599389431.db2.gz GSFJNSRMXLWNMM-UHFFFAOYSA-N -1 3 373.376 2.984 20 30 FFEDHM C=C(Cl)CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735402380 599389533 /nfs/dbraw/zinc/38/95/33/599389533.db2.gz TZFMILFAQMGUQW-UHFFFAOYSA-N -1 3 369.812 2.928 20 30 FFEDHM C=C(Cl)CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735402380 599389536 /nfs/dbraw/zinc/38/95/36/599389536.db2.gz TZFMILFAQMGUQW-UHFFFAOYSA-N -1 3 369.812 2.928 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CCCC)COC ZINC000735421004 599505790 /nfs/dbraw/zinc/50/57/90/599505790.db2.gz WRGNGSRRDKTGMI-KRWDZBQOSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CCCC)COC ZINC000735421004 599505792 /nfs/dbraw/zinc/50/57/92/599505792.db2.gz WRGNGSRRDKTGMI-KRWDZBQOSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCC[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733935 607390272 /nfs/dbraw/zinc/39/02/72/607390272.db2.gz FNOUIVAJHZQQNJ-QGZVFWFLSA-N -1 3 369.450 2.853 20 30 FFEDHM C=CCC[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733935 607390274 /nfs/dbraw/zinc/39/02/74/607390274.db2.gz FNOUIVAJHZQQNJ-QGZVFWFLSA-N -1 3 369.450 2.853 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC000826251339 607401075 /nfs/dbraw/zinc/40/10/75/607401075.db2.gz MJMJKXIJUAEXRG-ZDUSSCGKSA-N -1 3 363.377 2.671 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC000826251339 607401076 /nfs/dbraw/zinc/40/10/76/607401076.db2.gz MJMJKXIJUAEXRG-ZDUSSCGKSA-N -1 3 363.377 2.671 20 30 FFEDHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826316240 607433004 /nfs/dbraw/zinc/43/30/04/607433004.db2.gz IHVSPYXPOGZMQD-ZIAGYGMSSA-N -1 3 350.407 2.851 20 30 FFEDHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826316240 607433005 /nfs/dbraw/zinc/43/30/05/607433005.db2.gz IHVSPYXPOGZMQD-ZIAGYGMSSA-N -1 3 350.407 2.851 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000821770422 607454725 /nfs/dbraw/zinc/45/47/25/607454725.db2.gz SUNYJURQXYSJKM-VMPITWQZSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000821770422 607454726 /nfs/dbraw/zinc/45/47/26/607454726.db2.gz SUNYJURQXYSJKM-VMPITWQZSA-N -1 3 354.341 2.919 20 30 FFEDHM Cc1cccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822324104 607462992 /nfs/dbraw/zinc/46/29/92/607462992.db2.gz VLQXSAMKKGZIDC-UHFFFAOYSA-N -1 3 369.429 2.943 20 30 FFEDHM Cc1cccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822324104 607462994 /nfs/dbraw/zinc/46/29/94/607462994.db2.gz VLQXSAMKKGZIDC-UHFFFAOYSA-N -1 3 369.429 2.943 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000823915021 607519131 /nfs/dbraw/zinc/51/91/31/607519131.db2.gz ROHNBLRZMGHTEX-UHFFFAOYSA-N -1 3 360.421 2.935 20 30 FFEDHM CCOc1ccc(C=NCc2ccc(OC)c(-c3nnn[n-]3)c2)c(O)c1 ZINC000825639154 607527130 /nfs/dbraw/zinc/52/71/30/607527130.db2.gz RMHFOCSXMWIDDX-ODLFYWEKSA-N -1 3 353.382 2.599 20 30 FFEDHM CCOc1ccc(C=NCc2ccc(OC)c(-c3nn[n-]n3)c2)c(O)c1 ZINC000825639154 607527132 /nfs/dbraw/zinc/52/71/32/607527132.db2.gz RMHFOCSXMWIDDX-ODLFYWEKSA-N -1 3 353.382 2.599 20 30 FFEDHM CN(C[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1)C(=O)[O-] ZINC000828218264 603579556 /nfs/dbraw/zinc/57/95/56/603579556.db2.gz IGYDSRHMSBZMLK-QWHCGFSZSA-N -1 3 372.450 2.547 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831065843 604222667 /nfs/dbraw/zinc/22/26/67/604222667.db2.gz SJZHRDJKLUAYDJ-FMKPAKJESA-N -1 3 365.389 2.923 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CCN3C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826233967 607681054 /nfs/dbraw/zinc/68/10/54/607681054.db2.gz BTIKAPFNNVVLLO-SOFGYWHQSA-N -1 3 374.448 2.811 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CCN3C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826233967 607681055 /nfs/dbraw/zinc/68/10/55/607681055.db2.gz BTIKAPFNNVVLLO-SOFGYWHQSA-N -1 3 374.448 2.811 20 30 FFEDHM CC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC12CCCCC2 ZINC000833390285 605141488 /nfs/dbraw/zinc/14/14/88/605141488.db2.gz DSFPNRAPDVNXDL-GOSISDBHSA-N -1 3 355.438 2.551 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823899566 607769497 /nfs/dbraw/zinc/76/94/97/607769497.db2.gz YHANLDYCQZNLRS-LLVKDONJSA-N -1 3 370.438 2.910 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823899566 607769498 /nfs/dbraw/zinc/76/94/98/607769498.db2.gz YHANLDYCQZNLRS-LLVKDONJSA-N -1 3 370.438 2.910 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833940219 606084467 /nfs/dbraw/zinc/08/44/67/606084467.db2.gz HVLCZBZYMHMJFQ-CQSZACIVSA-N -1 3 354.410 2.920 20 30 FFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821334641 606305399 /nfs/dbraw/zinc/30/53/99/606305399.db2.gz PUGFNXCENGVJDP-FPLPWBNLSA-N -1 3 368.418 2.930 20 30 FFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821334641 606305397 /nfs/dbraw/zinc/30/53/97/606305397.db2.gz PUGFNXCENGVJDP-FPLPWBNLSA-N -1 3 368.418 2.930 20 30 FFEDHM C[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819854835 606315964 /nfs/dbraw/zinc/31/59/64/606315964.db2.gz COLPRFMHAUGEML-LLVKDONJSA-N -1 3 350.407 2.660 20 30 FFEDHM C[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819854835 606315965 /nfs/dbraw/zinc/31/59/65/606315965.db2.gz COLPRFMHAUGEML-LLVKDONJSA-N -1 3 350.407 2.660 20 30 FFEDHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823551517 606369960 /nfs/dbraw/zinc/36/99/60/606369960.db2.gz UDWYOCRTXBSWOK-UHFFFAOYSA-N -1 3 374.385 2.712 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(C#N)c2n1CCC2 ZINC000822015341 606390722 /nfs/dbraw/zinc/39/07/22/606390722.db2.gz JANQKNSTVHGAIP-GQCTYLIASA-N -1 3 350.407 2.752 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3cccc(C)n23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015825 606391062 /nfs/dbraw/zinc/39/10/62/606391062.db2.gz PJTKLIGDQIEPNN-HJWRWDBZSA-N -1 3 373.420 2.775 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3cccc(C)n23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015825 606391064 /nfs/dbraw/zinc/39/10/64/606391064.db2.gz PJTKLIGDQIEPNN-HJWRWDBZSA-N -1 3 373.420 2.775 20 30 FFEDHM C=CCCCC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000819733907 606394534 /nfs/dbraw/zinc/39/45/34/606394534.db2.gz FHLAITJERJLRPA-UHFFFAOYSA-N -1 3 353.382 2.693 20 30 FFEDHM C=CCCCC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000819733907 606394535 /nfs/dbraw/zinc/39/45/35/606394535.db2.gz FHLAITJERJLRPA-UHFFFAOYSA-N -1 3 353.382 2.693 20 30 FFEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819697826 606436717 /nfs/dbraw/zinc/43/67/17/606436717.db2.gz LPQTVKSUABHLGJ-UHFFFAOYSA-N -1 3 363.381 2.541 20 30 FFEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819697826 606436719 /nfs/dbraw/zinc/43/67/19/606436719.db2.gz LPQTVKSUABHLGJ-UHFFFAOYSA-N -1 3 363.381 2.541 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819745400 606498195 /nfs/dbraw/zinc/49/81/95/606498195.db2.gz BDVOIFNHOOJRCR-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819745400 606498196 /nfs/dbraw/zinc/49/81/96/606498196.db2.gz BDVOIFNHOOJRCR-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM COc1cccc(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)c1 ZINC000821873865 606631921 /nfs/dbraw/zinc/63/19/21/606631921.db2.gz ZLAILRYTFLPBME-UHFFFAOYSA-N -1 3 365.422 2.604 20 30 FFEDHM COc1cccc(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)c1 ZINC000821873865 606631922 /nfs/dbraw/zinc/63/19/22/606631922.db2.gz ZLAILRYTFLPBME-UHFFFAOYSA-N -1 3 365.422 2.604 20 30 FFEDHM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820938642 606732476 /nfs/dbraw/zinc/73/24/76/606732476.db2.gz KZPZTNDDSZJUNK-INIZCTEOSA-N -1 3 354.414 2.805 20 30 FFEDHM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820938642 606732478 /nfs/dbraw/zinc/73/24/78/606732478.db2.gz KZPZTNDDSZJUNK-INIZCTEOSA-N -1 3 354.414 2.805 20 30 FFEDHM N#CCC1(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000822805785 606896055 /nfs/dbraw/zinc/89/60/55/606896055.db2.gz DBAJOVUWHKEMSC-UHFFFAOYSA-N -1 3 351.288 2.736 20 30 FFEDHM N#CCC1(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000822805785 606896056 /nfs/dbraw/zinc/89/60/56/606896056.db2.gz DBAJOVUWHKEMSC-UHFFFAOYSA-N -1 3 351.288 2.736 20 30 FFEDHM CC(C)CN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820086794 606921719 /nfs/dbraw/zinc/92/17/19/606921719.db2.gz FRHICZHDTPNFSX-IBGZPJMESA-N -1 3 362.437 2.934 20 30 FFEDHM CC(C)CN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820086794 606921720 /nfs/dbraw/zinc/92/17/20/606921720.db2.gz FRHICZHDTPNFSX-IBGZPJMESA-N -1 3 362.437 2.934 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000819744054 606967203 /nfs/dbraw/zinc/96/72/03/606967203.db2.gz UUWYRLKYZJVXQV-AWEZNQCLSA-N -1 3 362.384 2.752 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000819744054 606967204 /nfs/dbraw/zinc/96/72/04/606967204.db2.gz UUWYRLKYZJVXQV-AWEZNQCLSA-N -1 3 362.384 2.752 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1nc(C)sc1C ZINC000819743825 607010301 /nfs/dbraw/zinc/01/03/01/607010301.db2.gz QFWZIGSRPWPHJR-UHFFFAOYSA-N -1 3 368.466 2.697 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1nc(C)sc1C ZINC000819743825 607010303 /nfs/dbraw/zinc/01/03/03/607010303.db2.gz QFWZIGSRPWPHJR-UHFFFAOYSA-N -1 3 368.466 2.697 20 30 FFEDHM Fc1ccc(CNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c(F)c1 ZINC000822771140 607149067 /nfs/dbraw/zinc/14/90/67/607149067.db2.gz DCFMFKXUGXVGNP-UHFFFAOYSA-N -1 3 353.336 2.750 20 30 FFEDHM Fc1ccc(CNN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c(F)c1 ZINC000822771140 607149069 /nfs/dbraw/zinc/14/90/69/607149069.db2.gz DCFMFKXUGXVGNP-UHFFFAOYSA-N -1 3 353.336 2.750 20 30 FFEDHM N#Cc1cc(NC(=O)COc2ccc3c(c2)CCCC3)ccc1-c1nnn[n-]1 ZINC000822823812 607238569 /nfs/dbraw/zinc/23/85/69/607238569.db2.gz ZKZLDEHFDHVEBK-UHFFFAOYSA-N -1 3 374.404 2.635 20 30 FFEDHM N#Cc1cc(NC(=O)COc2ccc3c(c2)CCCC3)ccc1-c1nn[n-]n1 ZINC000822823812 607238570 /nfs/dbraw/zinc/23/85/70/607238570.db2.gz ZKZLDEHFDHVEBK-UHFFFAOYSA-N -1 3 374.404 2.635 20 30 FFEDHM CCCCCCCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825271468 607859604 /nfs/dbraw/zinc/85/96/04/607859604.db2.gz KDGPNTJURTWYKN-UHFFFAOYSA-N -1 3 358.446 2.590 20 30 FFEDHM CCCCCCCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825271468 607859605 /nfs/dbraw/zinc/85/96/05/607859605.db2.gz KDGPNTJURTWYKN-UHFFFAOYSA-N -1 3 358.446 2.590 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)cc21 ZINC000824783432 607885079 /nfs/dbraw/zinc/88/50/79/607885079.db2.gz GQFHVQBRNGVUHW-CSKARUKUSA-N -1 3 359.389 2.993 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)cc21 ZINC000824783432 607885080 /nfs/dbraw/zinc/88/50/80/607885080.db2.gz GQFHVQBRNGVUHW-CSKARUKUSA-N -1 3 359.389 2.993 20 30 FFEDHM Cc1ccc(-c2nc(C=NNCc3ccc(-c4nnn[n-]4)cc3)co2)cc1 ZINC000826273787 607890294 /nfs/dbraw/zinc/89/02/94/607890294.db2.gz UIQUUSVJGZIXBE-UHFFFAOYSA-N -1 3 359.393 2.954 20 30 FFEDHM Cc1ccc(-c2nc(C=NNCc3ccc(-c4nn[n-]n4)cc3)co2)cc1 ZINC000826273787 607890295 /nfs/dbraw/zinc/89/02/95/607890295.db2.gz UIQUUSVJGZIXBE-UHFFFAOYSA-N -1 3 359.393 2.954 20 30 FFEDHM Fc1ccccc1-c1n[nH]cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826378157 607890472 /nfs/dbraw/zinc/89/04/72/607890472.db2.gz YEPIABMCLPRYIO-UHFFFAOYSA-N -1 3 362.372 2.520 20 30 FFEDHM Fc1ccccc1-c1n[nH]cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826378157 607890473 /nfs/dbraw/zinc/89/04/73/607890473.db2.gz YEPIABMCLPRYIO-UHFFFAOYSA-N -1 3 362.372 2.520 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826162660 607916978 /nfs/dbraw/zinc/91/69/78/607916978.db2.gz MMZIATOJHDFKMF-YCRREMRBSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826162660 607916979 /nfs/dbraw/zinc/91/69/79/607916979.db2.gz MMZIATOJHDFKMF-YCRREMRBSA-N -1 3 368.368 2.927 20 30 FFEDHM N#CCSc1ccccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826382163 607948020 /nfs/dbraw/zinc/94/80/20/607948020.db2.gz QYDNAUFWTSZFJF-UHFFFAOYSA-N -1 3 362.418 2.685 20 30 FFEDHM N#CCSc1ccccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826382163 607948021 /nfs/dbraw/zinc/94/80/21/607948021.db2.gz QYDNAUFWTSZFJF-UHFFFAOYSA-N -1 3 362.418 2.685 20 30 FFEDHM C#CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823838329 607956309 /nfs/dbraw/zinc/95/63/09/607956309.db2.gz OFVDECHMOJZDNL-WMLDXEAASA-N -1 3 361.405 2.515 20 30 FFEDHM C#CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823838329 607956310 /nfs/dbraw/zinc/95/63/10/607956310.db2.gz OFVDECHMOJZDNL-WMLDXEAASA-N -1 3 361.405 2.515 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(CC#N)cc1 ZINC000823915092 607979369 /nfs/dbraw/zinc/97/93/69/607979369.db2.gz RXIHHUITEUIPCL-UHFFFAOYSA-N -1 3 358.405 2.761 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(CC#N)cc1 ZINC000823915092 607979370 /nfs/dbraw/zinc/97/93/70/607979370.db2.gz RXIHHUITEUIPCL-UHFFFAOYSA-N -1 3 358.405 2.761 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(C(C)C)c1C ZINC000823914800 608157788 /nfs/dbraw/zinc/15/77/88/608157788.db2.gz NTEWSFVYNJXGHM-UHFFFAOYSA-N -1 3 365.441 2.781 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(C(C)C)c1C ZINC000823914800 608157790 /nfs/dbraw/zinc/15/77/90/608157790.db2.gz NTEWSFVYNJXGHM-UHFFFAOYSA-N -1 3 365.441 2.781 20 30 FFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1OC ZINC000825632414 608319887 /nfs/dbraw/zinc/31/98/87/608319887.db2.gz QTWRCEIIQUGYKT-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)cc1OC ZINC000825632414 608319889 /nfs/dbraw/zinc/31/98/89/608319889.db2.gz QTWRCEIIQUGYKT-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM C=CC[C@H](CO)CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000823888734 608411366 /nfs/dbraw/zinc/41/13/66/608411366.db2.gz UYPCSXFJZDBFDY-ZDUSSCGKSA-N -1 3 363.425 2.573 20 30 FFEDHM C=CC[C@H](CO)CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000823888734 608411368 /nfs/dbraw/zinc/41/13/68/608411368.db2.gz UYPCSXFJZDBFDY-ZDUSSCGKSA-N -1 3 363.425 2.573 20 30 FFEDHM C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824635093 608483796 /nfs/dbraw/zinc/48/37/96/608483796.db2.gz YRUXZCAQICLBBW-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824635093 608483797 /nfs/dbraw/zinc/48/37/97/608483797.db2.gz YRUXZCAQICLBBW-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)CSC ZINC000823910100 608537850 /nfs/dbraw/zinc/53/78/50/608537850.db2.gz XIBVXRAYZQTRNJ-HNNXBMFYSA-N -1 3 360.487 2.706 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)CSC ZINC000823910100 608537851 /nfs/dbraw/zinc/53/78/51/608537851.db2.gz XIBVXRAYZQTRNJ-HNNXBMFYSA-N -1 3 360.487 2.706 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823931808 608538761 /nfs/dbraw/zinc/53/87/61/608538761.db2.gz FTFCYQWEXHYGMB-UHFFFAOYSA-N -1 3 356.773 2.732 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823931808 608538763 /nfs/dbraw/zinc/53/87/63/608538763.db2.gz FTFCYQWEXHYGMB-UHFFFAOYSA-N -1 3 356.773 2.732 20 30 FFEDHM COc1cccc(F)c1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826217047 608539251 /nfs/dbraw/zinc/53/92/51/608539251.db2.gz XEJHULKQCWCULP-UHFFFAOYSA-N -1 3 361.768 2.899 20 30 FFEDHM COc1cccc(F)c1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826217047 608539252 /nfs/dbraw/zinc/53/92/52/608539252.db2.gz XEJHULKQCWCULP-UHFFFAOYSA-N -1 3 361.768 2.899 20 30 FFEDHM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825829857 609181828 /nfs/dbraw/zinc/18/18/28/609181828.db2.gz JNHWFSZIELYWAI-UHFFFAOYSA-N -1 3 362.368 2.838 20 30 FFEDHM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825829857 609181830 /nfs/dbraw/zinc/18/18/30/609181830.db2.gz JNHWFSZIELYWAI-UHFFFAOYSA-N -1 3 362.368 2.838 20 30 FFEDHM C=CCC[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823894652 609252043 /nfs/dbraw/zinc/25/20/43/609252043.db2.gz VNZBBKUTFVZZIH-ROUUACIJSA-N -1 3 363.421 2.724 20 30 FFEDHM C=CCC[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894652 609252045 /nfs/dbraw/zinc/25/20/45/609252045.db2.gz VNZBBKUTFVZZIH-ROUUACIJSA-N -1 3 363.421 2.724 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(NC(C)=O)cc2)cc1-c1nnn[n-]1 ZINC000826191083 609371561 /nfs/dbraw/zinc/37/15/61/609371561.db2.gz WPSZMAPZUPNRFJ-OQFOIZHKSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(NC(C)=O)cc2)cc1-c1nn[n-]n1 ZINC000826191083 609371563 /nfs/dbraw/zinc/37/15/63/609371563.db2.gz WPSZMAPZUPNRFJ-OQFOIZHKSA-N -1 3 363.377 2.730 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SC[C@@H]2CCc3ccccc3C2)nc1N ZINC000826383742 609379313 /nfs/dbraw/zinc/37/93/13/609379313.db2.gz ODXSFJPBJBFLIJ-LLVKDONJSA-N -1 3 363.450 2.613 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SC[C@@H]2CCc3ccccc3C2)nc1N ZINC000826383742 609379317 /nfs/dbraw/zinc/37/93/17/609379317.db2.gz ODXSFJPBJBFLIJ-LLVKDONJSA-N -1 3 363.450 2.613 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456403 609424152 /nfs/dbraw/zinc/42/41/52/609424152.db2.gz BWXMDYQTZXHMOX-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456403 609424154 /nfs/dbraw/zinc/42/41/54/609424154.db2.gz BWXMDYQTZXHMOX-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824385338 609458204 /nfs/dbraw/zinc/45/82/04/609458204.db2.gz QUNBSHDDCOLJQW-JTQLQIEISA-N -1 3 353.411 2.841 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824385338 609458206 /nfs/dbraw/zinc/45/82/06/609458206.db2.gz QUNBSHDDCOLJQW-JTQLQIEISA-N -1 3 353.411 2.841 20 30 FFEDHM C#CCSCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000899175713 735456243 /nfs/dbraw/zinc/45/62/43/735456243.db2.gz YVQRKOWYYQJQCY-LBPRGKRZSA-N -1 3 370.396 2.552 20 30 FFEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc2nncn2c1 ZINC000113653388 728556325 /nfs/dbraw/zinc/55/63/25/728556325.db2.gz IJJMKVIXYCWMJH-CYBMUJFWSA-N -1 3 374.187 2.997 20 30 FFEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000747108692 735534723 /nfs/dbraw/zinc/53/47/23/735534723.db2.gz JPLRUXNHRQTWQU-LBPRGKRZSA-N -1 3 360.391 2.735 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CC)CC2)ccc1F ZINC000117153394 728576405 /nfs/dbraw/zinc/57/64/05/728576405.db2.gz SMKGSZCCQHYBBF-CQSZACIVSA-N -1 3 368.474 2.942 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000126502903 728703797 /nfs/dbraw/zinc/70/37/97/728703797.db2.gz ZOYTYHSPRGROQR-QGZVFWFLSA-N -1 3 369.462 2.571 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1C ZINC000130470181 728718302 /nfs/dbraw/zinc/71/83/02/728718302.db2.gz GXLLXVNUOIUIBV-GFCCVEGCSA-N -1 3 351.193 2.997 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)ccc1F ZINC000150837424 728743599 /nfs/dbraw/zinc/74/35/99/728743599.db2.gz UAPATFYNSJWKSJ-ZIAGYGMSSA-N -1 3 368.474 2.941 20 30 FFEDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(OCC#N)cc2)cc1F ZINC000178129475 729154625 /nfs/dbraw/zinc/15/46/25/729154625.db2.gz BYYZCVWMMYCFNM-UHFFFAOYSA-N -1 3 352.362 2.654 20 30 FFEDHM C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000191128887 729414571 /nfs/dbraw/zinc/41/45/71/729414571.db2.gz AKAXJBVHDNFOLA-UHFFFAOYSA-N -1 3 360.410 2.640 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000657148374 731738971 /nfs/dbraw/zinc/73/89/71/731738971.db2.gz YCVDSKRVUHDSNP-UHFFFAOYSA-N -1 3 354.291 2.690 20 30 FFEDHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000872671527 731811494 /nfs/dbraw/zinc/81/14/94/731811494.db2.gz SDKYGDFLQDGWNW-HAQNSBGRSA-N -1 3 372.849 2.908 20 30 FFEDHM O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000878643706 732571259 /nfs/dbraw/zinc/57/12/59/732571259.db2.gz OIJMCTUGTZRZKA-SNVBAGLBSA-N -1 3 367.274 2.842 20 30 FFEDHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000879261749 732674563 /nfs/dbraw/zinc/67/45/63/732674563.db2.gz POFPAXWKOPAZHU-QWRGUYRKSA-N -1 3 365.739 2.623 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccc(C#N)cc1 ZINC000881783794 733107842 /nfs/dbraw/zinc/10/78/42/733107842.db2.gz DKCNGDSZWLBQJT-NPMABZOXSA-N -1 3 369.512 2.884 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1cccc(C#N)c1 ZINC000881956269 733142839 /nfs/dbraw/zinc/14/28/39/733142839.db2.gz IAJJERKYKXGFLY-NPMABZOXSA-N -1 3 369.512 2.884 20 30 FFEDHM C=CC[S@@](=O)(=NC([O-])=CS(=O)(=O)CCCCC)c1ccccc1 ZINC000891376547 734421716 /nfs/dbraw/zinc/42/17/16/734421716.db2.gz JMHIKLFFMLNUBB-QHCPKHFHSA-N -1 3 357.497 2.831 20 30 FFEDHM CSc1ccc(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1C#N ZINC000894323864 734837212 /nfs/dbraw/zinc/83/72/12/734837212.db2.gz PVBIBDADDXXNCX-UHFFFAOYSA-N -1 3 356.451 2.642 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000734303095 734888453 /nfs/dbraw/zinc/88/84/53/734888453.db2.gz DBZUUWZAMQEWRZ-FBCYGCLPSA-N -1 3 358.785 2.910 20 30 FFEDHM N#Cc1cccc(Br)c1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000897346108 735222703 /nfs/dbraw/zinc/22/27/03/735222703.db2.gz RXEDUFMSOBNENH-NSHDSACASA-N -1 3 360.215 2.507 20 30 FFEDHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1 ZINC000901601224 735801437 /nfs/dbraw/zinc/80/14/37/735801437.db2.gz DGSKPYXWBLFQPO-UHFFFAOYSA-N -1 3 360.435 2.969 20 30 FFEDHM C=CCOC[C@@H](NCc1cc(Br)c(Cl)s1)C(=O)[O-] ZINC000901808281 735842741 /nfs/dbraw/zinc/84/27/41/735842741.db2.gz CTCBNLFKZWXODK-SECBINFHSA-N -1 3 354.653 2.909 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000751595898 735897562 /nfs/dbraw/zinc/89/75/62/735897562.db2.gz GSIYHRDJWUOYHQ-VIFPVBQESA-N -1 3 365.224 2.567 20 30 FFEDHM Cc1cc(Br)c([O-])c(C=NNc2ccc(-n3ccnc3)nn2)c1 ZINC000761839790 736765179 /nfs/dbraw/zinc/76/51/79/736765179.db2.gz VKNISDBILAATJE-UHFFFAOYSA-N -1 3 373.214 2.885 20 30 FFEDHM Cc1cc(Br)c([O-])c(CN=Nc2ccc(-n3ccnc3)nn2)c1 ZINC000761839790 736765180 /nfs/dbraw/zinc/76/51/80/736765180.db2.gz VKNISDBILAATJE-UHFFFAOYSA-N -1 3 373.214 2.885 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908752020 736826254 /nfs/dbraw/zinc/82/62/54/736826254.db2.gz INXJKGYISGGFDS-HZPDHXFCSA-N -1 3 367.877 2.747 20 30 FFEDHM COc1cc(C=NNC(=S)N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000767032114 737285643 /nfs/dbraw/zinc/28/56/43/737285643.db2.gz ANCJSKNCPZDWFO-JQWIXIFHSA-N -1 3 366.443 2.686 20 30 FFEDHM C#CCCN(CCOC)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000912728902 737335086 /nfs/dbraw/zinc/33/50/86/737335086.db2.gz PZQUFVOVNAQETE-UHFFFAOYSA-N -1 3 353.444 2.602 20 30 FFEDHM C#CC[C@@H](CCOC)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000913348751 737394848 /nfs/dbraw/zinc/39/48/48/737394848.db2.gz VSKVYSHDNIBRNG-NSHDSACASA-N -1 3 353.444 2.648 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ncc(C)o2)ccc1F ZINC000770943049 737677710 /nfs/dbraw/zinc/67/77/10/737677710.db2.gz HVDSWUAGXCAJOZ-NSHDSACASA-N -1 3 368.386 2.504 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)cc1OC ZINC000916932727 737733151 /nfs/dbraw/zinc/73/31/51/737733151.db2.gz CIXSREAOOFIUAK-GFCCVEGCSA-N -1 3 359.407 2.738 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C)n1 ZINC000917520467 737762080 /nfs/dbraw/zinc/76/20/80/737762080.db2.gz IIULVZFGEDLIGP-LLVKDONJSA-N -1 3 360.801 2.660 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)c(Cl)c2)c1 ZINC000793125417 739742238 /nfs/dbraw/zinc/74/22/38/739742238.db2.gz POJMCHOINXPAPP-CYBMUJFWSA-N -1 3 359.769 2.713 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1F ZINC000794026490 739842844 /nfs/dbraw/zinc/84/28/44/739842844.db2.gz OMIIESQORYLYAX-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM Cn1cnc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000794506424 739899255 /nfs/dbraw/zinc/89/92/55/739899255.db2.gz OEGXEBUOBLMELQ-UHFFFAOYSA-N -1 3 355.423 2.667 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(Cl)cc1F ZINC000796085412 740099262 /nfs/dbraw/zinc/09/92/62/740099262.db2.gz DZVCHFRTQVPNCH-LBPRGKRZSA-N -1 3 371.773 2.512 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2cccc(Br)c2)c1[O-] ZINC000800720827 740544408 /nfs/dbraw/zinc/54/44/08/740544408.db2.gz HPMRJGLOUKRTCN-WVSFHRMVSA-N -1 3 365.227 2.503 20 30 FFEDHM C=CCCCCCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000805218226 740950679 /nfs/dbraw/zinc/95/06/79/740950679.db2.gz VHENOZSIMTWNRC-UHFFFAOYSA-N -1 3 364.920 2.933 20 30 FFEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cnccn2)cc1 ZINC000807968422 741174752 /nfs/dbraw/zinc/17/47/52/741174752.db2.gz NSBHJTWRXFKLQV-UHFFFAOYSA-N -1 3 353.407 2.723 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000810099579 741385807 /nfs/dbraw/zinc/38/58/07/741385807.db2.gz LMYVEMBEYDJHOX-ZDUSSCGKSA-N -1 3 350.783 2.901 20 30 FFEDHM C[C@@](C#N)(NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000811394597 741515117 /nfs/dbraw/zinc/51/51/17/741515117.db2.gz GMUXRYQZJIEVPH-HNNXBMFYSA-N -1 3 351.815 2.848 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccc(F)cc1 ZINC000812526973 741629811 /nfs/dbraw/zinc/62/98/11/741629811.db2.gz GEYFTMXHYPQKMR-CYBMUJFWSA-N -1 3 367.423 2.635 20 30 FFEDHM COC(=O)c1cc(C(=O)OCc2ccc(C#N)cc2OC(F)F)c[n-]1 ZINC000814530641 741840086 /nfs/dbraw/zinc/84/00/86/741840086.db2.gz WZMMVMALJOTINI-UHFFFAOYSA-N -1 3 350.277 2.631 20 30 FFEDHM Cn1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000814829820 741868707 /nfs/dbraw/zinc/86/87/07/741868707.db2.gz LNUUYOPVMGKYSS-UHFFFAOYSA-N -1 3 355.423 2.667 20 30 FFEDHM Brc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819689058 742423601 /nfs/dbraw/zinc/42/36/01/742423601.db2.gz TWMDNMPAANKODH-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM Brc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819689058 742423604 /nfs/dbraw/zinc/42/36/04/742423604.db2.gz TWMDNMPAANKODH-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM Cc1c2cc(Br)ccc2sc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820136954 742466708 /nfs/dbraw/zinc/46/67/08/742466708.db2.gz HLHISQHMUXIWDY-JTQLQIEISA-N -1 3 369.240 2.692 20 30 FFEDHM CCC(CC)(Cc1nc2ccccc2s1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820157555 742468730 /nfs/dbraw/zinc/46/87/30/742468730.db2.gz ZFRPPOGZBNYTCK-ZDUSSCGKSA-N -1 3 361.467 2.752 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000820179561 742471290 /nfs/dbraw/zinc/47/12/90/742471290.db2.gz MIQSYXYUNVHODQ-CVEARBPZSA-N -1 3 360.797 2.566 20 30 FFEDHM COc1cccc(S([O-])=CC(=O)OC[C@H](C#N)Cc2ccccc2)c1 ZINC000820213287 742476014 /nfs/dbraw/zinc/47/60/14/742476014.db2.gz MJMWHQBNORPPTG-IVCQMTBJSA-N -1 3 357.431 2.728 20 30 FFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000820476061 742509790 /nfs/dbraw/zinc/50/97/90/742509790.db2.gz GVVOYAZUBBLGAP-INIZCTEOSA-N -1 3 361.829 2.858 20 30 FFEDHM CC[C@@H](Cc1ccccc1Br)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820482853 742510629 /nfs/dbraw/zinc/51/06/29/742510629.db2.gz SNVOHNLBBAZVAW-FZMZJTMJSA-N -1 3 369.259 2.514 20 30 FFEDHM C=CCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1 ZINC000836990323 746343305 /nfs/dbraw/zinc/34/33/05/746343305.db2.gz CYXHGVANYGJGHW-UHFFFAOYSA-N -1 3 352.456 2.630 20 30 FFEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000839444386 746829706 /nfs/dbraw/zinc/82/97/06/746829706.db2.gz DPZHZJLXTMOCFR-TZMCWYRMSA-N -1 3 368.430 2.752 20 30 FFEDHM C=C[C@H](C)ONC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000845626964 748294745 /nfs/dbraw/zinc/29/47/45/748294745.db2.gz KSRUJJNASAAZNR-NSHDSACASA-N -1 3 367.833 2.912 20 30 FFEDHM C[C@@H](C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)N(C)CC(F)(F)F ZINC000845845923 748336089 /nfs/dbraw/zinc/33/60/89/748336089.db2.gz QMROZIIPPLWMMI-JSGCOSHPSA-N -1 3 352.356 2.879 20 30 FFEDHM C[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)N(C)CC(F)(F)F ZINC000845845923 748336095 /nfs/dbraw/zinc/33/60/95/748336095.db2.gz QMROZIIPPLWMMI-JSGCOSHPSA-N -1 3 352.356 2.879 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000848136167 748850952 /nfs/dbraw/zinc/85/09/52/748850952.db2.gz LFIRNLOIEWFEMS-DGWNHINDSA-N -1 3 360.376 2.632 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cnc(-c2ccccc2Cl)s1 ZINC000848137602 748851183 /nfs/dbraw/zinc/85/11/83/748851183.db2.gz CTMSCLZCGPHASD-NSHDSACASA-N -1 3 351.815 2.574 20 30 FFEDHM C#C[C@@](C)(CC)N[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000852100190 749773872 /nfs/dbraw/zinc/77/38/72/749773872.db2.gz FXXFFBRIBOMNEG-VOJFVSQTSA-N -1 3 361.467 2.922 20 30 FFEDHM O=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(Br)cc1[O-] ZINC000853272803 750041441 /nfs/dbraw/zinc/04/14/41/750041441.db2.gz ZCYIEGVNZLZWHN-UHFFFAOYSA-N -1 3 366.215 2.743 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCC[C@@H]1Cc1ccccn1 ZINC000853312942 750047202 /nfs/dbraw/zinc/04/72/02/750047202.db2.gz JLJNABPVKGIVFJ-QGZVFWFLSA-N -1 3 357.479 2.942 20 30 FFEDHM C=CCN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)CC1 ZINC000908945948 939360437 /nfs/dbraw/zinc/36/04/37/939360437.db2.gz MNOXJVJJKANQQJ-LJQANCHMSA-N -1 3 367.449 2.915 20 30 FFEDHM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000821786483 945865104 /nfs/dbraw/zinc/86/51/04/945865104.db2.gz DXXJCZPCDMFCPG-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000821786483 945865117 /nfs/dbraw/zinc/86/51/17/945865117.db2.gz DXXJCZPCDMFCPG-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM FC(F)(F)Oc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822719009 946166163 /nfs/dbraw/zinc/16/61/63/946166163.db2.gz XNUAABAOXXUKNQ-UHFFFAOYSA-N -1 3 362.315 2.889 20 30 FFEDHM FC(F)(F)Oc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822719009 946166170 /nfs/dbraw/zinc/16/61/70/946166170.db2.gz XNUAABAOXXUKNQ-UHFFFAOYSA-N -1 3 362.315 2.889 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2cc[nH]c2n1 ZINC000823914154 946514447 /nfs/dbraw/zinc/51/44/47/946514447.db2.gz BRHBOQSYNCQXDH-UHFFFAOYSA-N -1 3 359.393 2.571 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2cc[nH]c2n1 ZINC000823914154 946514452 /nfs/dbraw/zinc/51/44/52/946514452.db2.gz BRHBOQSYNCQXDH-UHFFFAOYSA-N -1 3 359.393 2.571 20 30 FFEDHM CC(C)CN(CCC#N)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824255490 946635854 /nfs/dbraw/zinc/63/58/54/946635854.db2.gz LHIJBZFESSWGPD-UHFFFAOYSA-N -1 3 364.457 2.639 20 30 FFEDHM C#C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Br)c1ccc(F)cc1 ZINC001573280363 946659337 /nfs/dbraw/zinc/65/93/37/946659337.db2.gz PFOKMSKMIHNPRQ-CYBMUJFWSA-N -1 3 373.189 2.950 20 30 FFEDHM C#C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Br)c1ccc(F)cc1 ZINC001573280363 946659347 /nfs/dbraw/zinc/65/93/47/946659347.db2.gz PFOKMSKMIHNPRQ-CYBMUJFWSA-N -1 3 373.189 2.950 20 30 FFEDHM C=C(C)CCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC001573294003 946974149 /nfs/dbraw/zinc/97/41/49/946974149.db2.gz RAKOMMSULPYGKG-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=C(C)CCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC001573294003 946974160 /nfs/dbraw/zinc/97/41/60/946974160.db2.gz RAKOMMSULPYGKG-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573298703 947079846 /nfs/dbraw/zinc/07/98/46/947079846.db2.gz FVWNZCOWGIHJTA-CABCVRRESA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573298703 947079859 /nfs/dbraw/zinc/07/98/59/947079859.db2.gz FVWNZCOWGIHJTA-CABCVRRESA-N -1 3 369.473 2.623 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573316675 947279795 /nfs/dbraw/zinc/27/97/95/947279795.db2.gz YCDXXRYAHOJSFR-KGLIPLIRSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573316675 947279797 /nfs/dbraw/zinc/27/97/97/947279797.db2.gz YCDXXRYAHOJSFR-KGLIPLIRSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573327216 947383709 /nfs/dbraw/zinc/38/37/09/947383709.db2.gz ADLUYACVAFUPQN-ZIAGYGMSSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573327216 947383723 /nfs/dbraw/zinc/38/37/23/947383723.db2.gz ADLUYACVAFUPQN-ZIAGYGMSSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCCCC1 ZINC001573327642 947392359 /nfs/dbraw/zinc/39/23/59/947392359.db2.gz ILCSEOSXIKOXKC-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C=CCCC(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCCCC1 ZINC001573327642 947392370 /nfs/dbraw/zinc/39/23/70/947392370.db2.gz ILCSEOSXIKOXKC-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573334527 947457510 /nfs/dbraw/zinc/45/75/10/947457510.db2.gz NLCPANRKSAGEME-LSDHHAIUSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573334527 947457522 /nfs/dbraw/zinc/45/75/22/947457522.db2.gz NLCPANRKSAGEME-LSDHHAIUSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCCCCCNC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001573334748 947462414 /nfs/dbraw/zinc/46/24/14/947462414.db2.gz HVVDLDJJSOMTBV-UHFFFAOYSA-N -1 3 359.434 2.918 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cc21 ZINC001573351920 947623781 /nfs/dbraw/zinc/62/37/81/947623781.db2.gz XMMIMYUDWAYWBJ-UHFFFAOYSA-N -1 3 351.395 2.716 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cc21 ZINC001573351920 947623792 /nfs/dbraw/zinc/62/37/92/947623792.db2.gz XMMIMYUDWAYWBJ-UHFFFAOYSA-N -1 3 351.395 2.716 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)nnn1-c1ccccc1 ZINC000826234432 947687620 /nfs/dbraw/zinc/68/76/20/947687620.db2.gz WCUPEBIFQSIFKS-VAWYXSNFSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)nnn1-c1ccccc1 ZINC000826234432 947687627 /nfs/dbraw/zinc/68/76/27/947687627.db2.gz WCUPEBIFQSIFKS-VAWYXSNFSA-N -1 3 357.377 2.652 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000826401850 948221481 /nfs/dbraw/zinc/22/14/81/948221481.db2.gz IBZWLUZRYGCRJR-FMIVXFBMSA-N -1 3 359.389 2.890 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCCC2=O)cc1 ZINC000826401850 948221490 /nfs/dbraw/zinc/22/14/90/948221490.db2.gz IBZWLUZRYGCRJR-FMIVXFBMSA-N -1 3 359.389 2.890 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475864 948378370 /nfs/dbraw/zinc/37/83/70/948378370.db2.gz UARTXQKODQMFPW-YHYXMXQVSA-N -1 3 367.296 2.573 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475864 948378375 /nfs/dbraw/zinc/37/83/75/948378375.db2.gz UARTXQKODQMFPW-YHYXMXQVSA-N -1 3 367.296 2.573 20 30 FFEDHM O=C1c2cc(F)ccc2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826476760 948383960 /nfs/dbraw/zinc/38/39/60/948383960.db2.gz OJVQVDBVWNYQBM-KPKJPENVSA-N -1 3 360.352 2.866 20 30 FFEDHM O=C1c2cc(F)ccc2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826476760 948383967 /nfs/dbraw/zinc/38/39/67/948383967.db2.gz OJVQVDBVWNYQBM-KPKJPENVSA-N -1 3 360.352 2.866 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1sccc1CC#N ZINC001575512767 949141285 /nfs/dbraw/zinc/14/12/85/949141285.db2.gz PJFNRZGRRVUBSO-NSHDSACASA-N -1 3 352.423 2.827 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1sccc1CC#N ZINC001575512767 949141297 /nfs/dbraw/zinc/14/12/97/949141297.db2.gz PJFNRZGRRVUBSO-NSHDSACASA-N -1 3 352.423 2.827 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC(C)C)c2)cc1 ZINC000759836573 971789720 /nfs/dbraw/zinc/78/97/20/971789720.db2.gz YGVNERZBEXWCAH-INIZCTEOSA-N -1 3 353.378 2.839 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C2CCN(C(=O)Nc3ccccc3)CC2)c1[O-] ZINC000011123667 1013348169 /nfs/dbraw/zinc/34/81/69/1013348169.db2.gz CSIHOFMDPOBQPA-WSDLNYQXSA-N -1 3 368.437 2.703 20 30 FFEDHM N#Cc1ccc(C(=O)NCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000134215649 962688480 /nfs/dbraw/zinc/68/84/80/962688480.db2.gz SECMXDUDFKWYDU-UHFFFAOYSA-N -1 3 363.295 2.651 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000891339787 963295758 /nfs/dbraw/zinc/29/57/58/963295758.db2.gz OHIGQGKKXUKBML-SJORKVTESA-N -1 3 371.481 2.874 20 30 FFEDHM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2ccc(OCC)cc2[O-])C1=O ZINC001271000850 967929478 /nfs/dbraw/zinc/92/94/78/967929478.db2.gz BRXFCZFEQLRHDX-HXUWFJFHSA-N -1 3 358.438 2.574 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(F)cc2C#N)c([O-])c1 ZINC000728626847 969269899 /nfs/dbraw/zinc/26/98/99/969269899.db2.gz DKKIBARQWVLMKX-UHFFFAOYSA-N -1 3 356.353 2.575 20 30 FFEDHM N#CCCCN1CC[C@@]2(CCCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC001271426433 972915043 /nfs/dbraw/zinc/91/50/43/972915043.db2.gz DEOHTFDRAUWUME-FQEVSTJZSA-N -1 3 355.438 2.541 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnn(-c2ccc(Cl)cc2)c1 ZINC000125249591 973469226 /nfs/dbraw/zinc/46/92/26/973469226.db2.gz YEFQDSVPTCKPAU-OAHLLOKOSA-N -1 3 365.780 2.882 20 30 FFEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc([O-])c2ccccc12 ZINC001271970069 979376211 /nfs/dbraw/zinc/37/62/11/979376211.db2.gz IFLMDLUIOKLEHK-QZTJIDSGSA-N -1 3 350.418 2.937 20 30 FFEDHM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000908870365 981552892 /nfs/dbraw/zinc/55/28/92/981552892.db2.gz ZKZRWBAKCUZXMN-SFHVURJKSA-N -1 3 359.470 2.742 20 30 FFEDHM O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000877893007 1014756438 /nfs/dbraw/zinc/75/64/38/1014756438.db2.gz ILBWYWBYTUAJLK-QGZVFWFLSA-N -1 3 355.394 2.767 20 30 FFEDHM C#CCOc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000765140457 984971467 /nfs/dbraw/zinc/97/14/67/984971467.db2.gz RUQYDTKSYNBLHH-UHFFFAOYSA-N -1 3 364.401 2.964 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)cc1OC ZINC000130055602 986356053 /nfs/dbraw/zinc/35/60/53/986356053.db2.gz XZQUKXPRJDMEKO-LBPRGKRZSA-N -1 3 360.316 2.943 20 30 FFEDHM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000176460106 987253671 /nfs/dbraw/zinc/25/36/71/987253671.db2.gz GJYWRHKVAXQMPL-HNNXBMFYSA-N -1 3 363.377 2.653 20 30 FFEDHM CC(=NNCc1cccc(F)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000915967637 989716482 /nfs/dbraw/zinc/71/64/82/989716482.db2.gz PZSDTEWBLPRJJE-UHFFFAOYSA-N -1 3 357.429 2.877 20 30 FFEDHM COc1cc(C=NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000916327043 989775105 /nfs/dbraw/zinc/77/51/05/989775105.db2.gz DTVKCDGMDWTNLX-SFHVURJKSA-N -1 3 373.796 2.855 20 30 FFEDHM Cc1cc2ncc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(C)n2n1 ZINC000916883821 990010173 /nfs/dbraw/zinc/01/01/73/990010173.db2.gz UYHGQRSNZBPVRK-CQSZACIVSA-N -1 3 367.796 2.961 20 30 FFEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OCC ZINC000917509179 990233847 /nfs/dbraw/zinc/23/38/47/990233847.db2.gz MMONWBBQGBNMPD-AWEZNQCLSA-N -1 3 353.378 2.840 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n[n-]2)o1 ZINC000919324822 990613527 /nfs/dbraw/zinc/61/35/27/990613527.db2.gz IPSBQUCPWUOJRY-KZULUSFZSA-N -1 3 358.398 2.578 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[n-]n2)o1 ZINC000919324822 990613530 /nfs/dbraw/zinc/61/35/30/990613530.db2.gz IPSBQUCPWUOJRY-KZULUSFZSA-N -1 3 358.398 2.578 20 30 FFEDHM CCCC(C)=CC([O-])=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000920323244 990834991 /nfs/dbraw/zinc/83/49/91/990834991.db2.gz HAUKCCMSYZVVAR-YTRUQHMWSA-N -1 3 373.365 2.760 20 30 FFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC001598225712 990917662 /nfs/dbraw/zinc/91/76/62/990917662.db2.gz SOFPNNNSFVTEGR-UHFFFAOYSA-N -1 3 357.435 2.522 20 30 FFEDHM C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001079432426 992111344 /nfs/dbraw/zinc/11/13/44/992111344.db2.gz KNICAZHFMRPJBR-FZKQIMNGSA-N -1 3 353.397 2.653 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCO3)cc1 ZINC000810533626 994813397 /nfs/dbraw/zinc/81/33/97/994813397.db2.gz RFXBZLWPBOOYRM-IUODEOHRSA-N -1 3 352.394 2.750 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]23C[C@@H]2CCCC3)ccc1F ZINC001133559259 995593712 /nfs/dbraw/zinc/59/37/12/995593712.db2.gz YPWUESUKNOQXSR-KBXCAEBGSA-N -1 3 366.458 2.600 20 30 FFEDHM CC(Cc1ccc(C)cc1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001116114537 1032134378 /nfs/dbraw/zinc/13/43/78/1032134378.db2.gz UBNLTNNWPBCSBT-UHFFFAOYSA-N -1 3 361.423 2.941 20 30 FFEDHM Cc1nc(COc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2)no1 ZINC000730950987 997578049 /nfs/dbraw/zinc/57/80/49/997578049.db2.gz IJOMIILRZXYUBP-UHFFFAOYSA-N -1 3 354.366 2.609 20 30 FFEDHM COc1ccc([C@@H](NCc2ccc(O[C@@H](C)C#N)cc2)C(=O)[O-])cc1O ZINC001599532547 997683250 /nfs/dbraw/zinc/68/32/50/997683250.db2.gz RIXCRXCYCKOCTJ-KPZWWZAWSA-N -1 3 356.378 2.607 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H](c2ccccc2Cl)N2CCOCC2)ccc1[O-] ZINC001143863305 997739578 /nfs/dbraw/zinc/73/95/78/997739578.db2.gz NQUCVNWGZQFVAK-SFHVURJKSA-N -1 3 371.824 2.929 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171181911 998529797 /nfs/dbraw/zinc/52/97/97/998529797.db2.gz FLMKYRWMJQURIW-UHFFFAOYSA-N -1 3 360.377 2.771 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000733809715 999075180 /nfs/dbraw/zinc/07/51/80/999075180.db2.gz FJVJDOWTQOWNRC-ZDUSSCGKSA-N -1 3 354.362 2.732 20 30 FFEDHM Cc1nc(C)c(CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)c(=O)[n-]1 ZINC000734082992 999197916 /nfs/dbraw/zinc/19/79/16/999197916.db2.gz KEIQMJFTUIAWEA-CQSZACIVSA-N -1 3 365.418 2.737 20 30 FFEDHM O=C(Cn1ccc(C=N[O-])nc1=O)N(C1CCCCC1)C1CCCCC1 ZINC000736302786 999552434 /nfs/dbraw/zinc/55/24/34/999552434.db2.gz QWXOTLANKUZRFB-UHFFFAOYSA-N -1 3 360.458 2.545 20 30 FFEDHM COc1ccc(C(=O)N2CCCC2)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000745013279 999886357 /nfs/dbraw/zinc/88/63/57/999886357.db2.gz VAPHXCPRBGIUID-UHFFFAOYSA-N -1 3 369.421 2.583 20 30 FFEDHM N#CC[C@@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001129372487 1000128990 /nfs/dbraw/zinc/12/89/90/1000128990.db2.gz JXNGEEHEOPBUBM-UKRRQHHQSA-N -1 3 367.371 2.601 20 30 FFEDHM C=C(Br)CN1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001091496330 1000573091 /nfs/dbraw/zinc/57/30/91/1000573091.db2.gz DMQQPAIFOAKDGM-DYVFJYSZSA-N -1 3 365.271 2.695 20 30 FFEDHM COc1cc(CN=Nc2oc(C(C)(C)C)nc2C#N)c([N+](=O)[O-])cc1[O-] ZINC000746498554 1000644751 /nfs/dbraw/zinc/64/47/51/1000644751.db2.gz VERZQSJGGMNJDL-UHFFFAOYSA-N -1 3 359.342 2.912 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc2nccn21 ZINC000770732812 1000906013 /nfs/dbraw/zinc/90/60/13/1000906013.db2.gz JKQXXCMWCYVWGS-UHFFFAOYSA-N -1 3 350.378 2.599 20 30 FFEDHM N#CC1(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC000787848444 1001723248 /nfs/dbraw/zinc/72/32/48/1001723248.db2.gz NTUVWAOHLKFSAF-UHFFFAOYSA-N -1 3 362.401 2.740 20 30 FFEDHM COC(=O)c1sccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000787983426 1001744882 /nfs/dbraw/zinc/74/48/82/1001744882.db2.gz ONJFKFKWTDOPOB-UHFFFAOYSA-N -1 3 374.418 2.800 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746941091 1002469272 /nfs/dbraw/zinc/46/92/72/1002469272.db2.gz PHDFYBBWIDKVDT-UHFFFAOYSA-N -1 3 373.340 2.999 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000747032352 1002769112 /nfs/dbraw/zinc/76/91/12/1002769112.db2.gz FCNVZXQVYQIRCY-HMBXTHQTSA-N -1 3 370.327 2.639 20 30 FFEDHM COc1cc(C(=O)/C=C\c2cnnn2Cc2ccccc2)c(OC)cc1[O-] ZINC000792883571 1003219732 /nfs/dbraw/zinc/21/97/32/1003219732.db2.gz FXOOUIPILKRJBR-HJWRWDBZSA-N -1 3 365.389 2.945 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccncc2CC)c(C)c1[O-] ZINC001196138357 1003675434 /nfs/dbraw/zinc/67/54/34/1003675434.db2.gz GHPFCKJQFWCRMI-UHFFFAOYSA-N -1 3 353.378 2.959 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)cc1 ZINC001191451310 1003807897 /nfs/dbraw/zinc/80/78/97/1003807897.db2.gz SPSXOMHLUPIDDW-UHFFFAOYSA-N -1 3 366.345 2.814 20 30 FFEDHM COC(=O)c1ccnc(Cl)c1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC001191908008 1003981566 /nfs/dbraw/zinc/98/15/66/1003981566.db2.gz XPCFCQXYGLVHNK-UHFFFAOYSA-N -1 3 351.696 2.924 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccnc1OCC1CC1 ZINC001197662439 1004306008 /nfs/dbraw/zinc/30/60/08/1004306008.db2.gz IBUYLMIPIUADSA-UHFFFAOYSA-N -1 3 357.391 2.842 20 30 FFEDHM CCCCCCCCOC(=O)C[N-]S(=O)(=O)c1cnccc1Cl ZINC001192920578 1004309057 /nfs/dbraw/zinc/30/90/57/1004309057.db2.gz FPVSXGOFTAFWPV-UHFFFAOYSA-N -1 3 362.879 2.917 20 30 FFEDHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=S)Nc1cccc(C#N)c1 ZINC001197707505 1004331412 /nfs/dbraw/zinc/33/14/12/1004331412.db2.gz XDXRPCFYJHTGMK-AWEZNQCLSA-N -1 3 374.466 2.771 20 30 FFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=S)Nc1cccc(C#N)c1 ZINC001197707505 1004331421 /nfs/dbraw/zinc/33/14/21/1004331421.db2.gz XDXRPCFYJHTGMK-AWEZNQCLSA-N -1 3 374.466 2.771 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)n(Cc2ccc(C(F)(F)F)cc2)n1 ZINC001193112880 1004378361 /nfs/dbraw/zinc/37/83/61/1004378361.db2.gz WBXORBIRKDAHMN-LLVKDONJSA-N -1 3 372.372 2.912 20 30 FFEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccn3c(C)c(C)nc23)c1 ZINC001193654935 1004541330 /nfs/dbraw/zinc/54/13/30/1004541330.db2.gz CVTURAOOHNDPFD-UHFFFAOYSA-N -1 3 356.407 2.632 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)c(C)cc1O ZINC001195377743 1004955697 /nfs/dbraw/zinc/95/56/97/1004955697.db2.gz PBKSCUBPDOIPKO-UHFFFAOYSA-N -1 3 374.418 2.777 20 30 FFEDHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1F ZINC001201324036 1005200142 /nfs/dbraw/zinc/20/01/42/1005200142.db2.gz VMMLDKFSRBFXHR-UHFFFAOYSA-N -1 3 362.382 2.902 20 30 FFEDHM CCOc1ccc2c(c1)C(=N[N-]S(=O)(=O)CCc1ccccc1)CCO2 ZINC000814859046 1006451662 /nfs/dbraw/zinc/45/16/62/1006451662.db2.gz MIFRHWMTPQUFJK-UHFFFAOYSA-N -1 3 374.462 2.734 20 30 FFEDHM N#CCOc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001135236408 1006798925 /nfs/dbraw/zinc/79/89/25/1006798925.db2.gz SVSRPZNGHJKJRX-UHFFFAOYSA-N -1 3 355.300 2.961 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccn(C(F)F)n2)c(C)c1[O-] ZINC001189452754 1007104966 /nfs/dbraw/zinc/10/49/66/1007104966.db2.gz QYRRSCKAFROHNQ-UHFFFAOYSA-N -1 3 364.308 2.593 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000816754654 1007192472 /nfs/dbraw/zinc/19/24/72/1007192472.db2.gz JGVPGAYOXDXSCF-INIZCTEOSA-N -1 3 362.332 2.867 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000816758380 1007194499 /nfs/dbraw/zinc/19/44/99/1007194499.db2.gz ODZYYDAFSYNXDX-INIZCTEOSA-N -1 3 372.808 2.681 20 30 FFEDHM COc1cccc(/C=N/Cc2c(F)cccc2[N-]S(C)(=O)=O)c1O ZINC001116243289 1032211543 /nfs/dbraw/zinc/21/15/43/1032211543.db2.gz OBTYWXHEBBFRBK-GIJQJNRQSA-N -1 3 352.387 2.531 20 30 FFEDHM C=C(C)Cc1ccc(C(=O)Nc2c(C(=O)OC)c[n-]c2C(=O)OC)cc1 ZINC001190216368 1007529122 /nfs/dbraw/zinc/52/91/22/1007529122.db2.gz IEKQDSJNFITMLV-UHFFFAOYSA-N -1 3 356.378 2.959 20 30 FFEDHM CCOc1ncc(Br)cc1C(=O)[N-]c1onc(C)c1C#N ZINC001190456339 1007652410 /nfs/dbraw/zinc/65/24/10/1007652410.db2.gz WLHBTEPMPCBIBS-UHFFFAOYSA-N -1 3 351.160 2.663 20 30 FFEDHM C#CC[C@@H]1CCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000886360267 1008649344 /nfs/dbraw/zinc/64/93/44/1008649344.db2.gz SNGLEDHUOOYVNF-CHWSQXEVSA-N -1 3 373.478 2.876 20 30 FFEDHM C=CCCC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001177964836 1008796824 /nfs/dbraw/zinc/79/68/24/1008796824.db2.gz VRAFJIHXJDGUJZ-ZDUSSCGKSA-N -1 3 356.325 2.701 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@]2(F)C[C@H]2C(=O)OCc2ccccc2)ccc1[O-] ZINC001178862909 1009175927 /nfs/dbraw/zinc/17/59/27/1009175927.db2.gz LIJXFSBARLPKCV-HNAYVOBHSA-N -1 3 354.337 2.674 20 30 FFEDHM COc1c([O-])ccc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)c1[N+](=O)[O-] ZINC001180132837 1009558508 /nfs/dbraw/zinc/55/85/08/1009558508.db2.gz NKDXQINFKBPCEX-QGZVFWFLSA-N -1 3 369.377 2.754 20 30 FFEDHM CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000887969954 1009703372 /nfs/dbraw/zinc/70/33/72/1009703372.db2.gz PCDCWNMIQMSVRU-INIZCTEOSA-N -1 3 369.446 2.589 20 30 FFEDHM COc1ncc(C=CC([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cn1 ZINC000773952950 1010280441 /nfs/dbraw/zinc/28/04/41/1010280441.db2.gz CWFYSNBTOVJVES-MVGZEHJDSA-N -1 3 360.373 2.880 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CCOC(C)(C)C2)c(C)c1[O-] ZINC001182025801 1010349113 /nfs/dbraw/zinc/34/91/13/1010349113.db2.gz VKIXZXXUTCEIII-GFCCVEGCSA-N -1 3 360.410 2.893 20 30 FFEDHM C#CCCCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868322946 1011248104 /nfs/dbraw/zinc/24/81/04/1011248104.db2.gz UXJCIIAOLTUHRZ-CYBMUJFWSA-N -1 3 367.371 2.782 20 30 FFEDHM CCc1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c([O-])c1 ZINC001171843184 1011500619 /nfs/dbraw/zinc/50/06/19/1011500619.db2.gz BDRQJXGDSYYCOH-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(=O)[n-]c1Cl ZINC001274737379 1011623341 /nfs/dbraw/zinc/62/33/41/1011623341.db2.gz ORCBXIQUQNCRCM-GOSISDBHSA-N -1 3 363.845 2.614 20 30 FFEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1ccccc1OC(F)(F)F ZINC000123061016 1012314902 /nfs/dbraw/zinc/31/49/02/1012314902.db2.gz FJOVMMLVLVXKOI-NNNHXZLVSA-N -1 3 363.295 2.924 20 30 FFEDHM C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)C2 ZINC001097471289 1017515358 /nfs/dbraw/zinc/51/53/58/1017515358.db2.gz UBKJJARXRXTUDL-VMGRFDJRSA-N -1 3 357.841 2.616 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000900207393 1020270642 /nfs/dbraw/zinc/27/06/42/1020270642.db2.gz XHOPSQUSYZBJIG-UHFFFAOYSA-N -1 3 351.406 2.625 20 30 FFEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(F)CC1 ZINC001122617328 1023371768 /nfs/dbraw/zinc/37/17/68/1023371768.db2.gz WRNDBDWFWQBLBN-UHFFFAOYSA-N -1 3 358.421 2.833 20 30 FFEDHM Cc1nc(COc2ccccc2C([O-])=C(C#N)c2cccc(F)n2)no1 ZINC001122632268 1023380997 /nfs/dbraw/zinc/38/09/97/1023380997.db2.gz UBARWXHVHIGFOD-CYBMUJFWSA-N -1 3 352.325 2.981 20 30 FFEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2c[n-]oc2=O)n1C[C@H]1CCCO1 ZINC001122811286 1023487609 /nfs/dbraw/zinc/48/76/09/1023487609.db2.gz OKSOAWYZTSXJEQ-ZIAGYGMSSA-N -1 3 359.430 2.753 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(O[C@@H]3CCOC3)c2)c1 ZINC000755603225 1023613676 /nfs/dbraw/zinc/61/36/76/1023613676.db2.gz SEACQEIFYUBBCK-SJORKVTESA-N -1 3 365.389 2.519 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@H]4COC[C@@]4(C)C3)n2C)c1[O-] ZINC001121438995 1023776878 /nfs/dbraw/zinc/77/68/78/1023776878.db2.gz UOIMVMUSSDFAGX-MGPUTAFESA-N -1 3 354.454 2.779 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C ZINC001121607032 1023878363 /nfs/dbraw/zinc/87/83/63/1023878363.db2.gz HXISTOHEUAMVDA-CABCVRRESA-N -1 3 372.473 2.575 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](Oc2ccccc2)C1 ZINC001121615455 1023883131 /nfs/dbraw/zinc/88/31/31/1023883131.db2.gz MIBCNVGROGKMHX-CYBMUJFWSA-N -1 3 371.832 2.560 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](Oc2ccccc2)C1 ZINC001121615455 1023883139 /nfs/dbraw/zinc/88/31/39/1023883139.db2.gz MIBCNVGROGKMHX-CYBMUJFWSA-N -1 3 371.832 2.560 20 30 FFEDHM N#Cc1cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1F ZINC000758928427 1024377694 /nfs/dbraw/zinc/37/76/94/1024377694.db2.gz IQBZMVAUYIFFGH-KRWDZBQOSA-N -1 3 368.364 2.751 20 30 FFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C(F)(F)c1ccccc1C#N ZINC001141399090 1026168208 /nfs/dbraw/zinc/16/82/08/1026168208.db2.gz POOPIEHPMNPQGR-UHFFFAOYSA-N -1 3 365.361 2.660 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C2CCN(C(=O)Nc3ccccc3)CC2)c1[O-] ZINC000839386930 1026664162 /nfs/dbraw/zinc/66/41/62/1026664162.db2.gz CSIHOFMDPOBQPA-UUYOSTAYSA-N -1 3 368.437 2.703 20 30 FFEDHM CCOC(=O)c1c(C)cc(Cl)nc1[N-]c1c(C#N)cnn1C(=O)OC ZINC001158964624 1027208627 /nfs/dbraw/zinc/20/86/27/1027208627.db2.gz DCWFOYFOSJIPKV-UHFFFAOYSA-N -1 3 363.761 2.646 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]2C2CCCC2)ccc1F ZINC001159402683 1027379323 /nfs/dbraw/zinc/37/93/23/1027379323.db2.gz RJXBGFVODMEJSJ-INIZCTEOSA-N -1 3 366.458 2.695 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001160955557 1027943869 /nfs/dbraw/zinc/94/38/69/1027943869.db2.gz YDFZCTBSBOGEOL-UHFFFAOYSA-N -1 3 365.393 2.616 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001160955557 1027943880 /nfs/dbraw/zinc/94/38/80/1027943880.db2.gz YDFZCTBSBOGEOL-UHFFFAOYSA-N -1 3 365.393 2.616 20 30 FFEDHM CS(=O)(=O)Cc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001161802265 1028317318 /nfs/dbraw/zinc/31/73/18/1028317318.db2.gz OZDGHHBPCUNYTH-UHFFFAOYSA-N -1 3 353.827 2.916 20 30 FFEDHM C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(C)cc32)C1 ZINC001154532263 1028342955 /nfs/dbraw/zinc/34/29/55/1028342955.db2.gz LELIVGJOWYGASN-CQSZACIVSA-N -1 3 369.421 2.766 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCCOc3cccc4ccoc43)cc(=O)c2c1 ZINC001154561088 1028357064 /nfs/dbraw/zinc/35/70/64/1028357064.db2.gz USMJXXAPNISJAS-UHFFFAOYSA-N -1 3 373.368 2.955 20 30 FFEDHM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c([O-])c1O ZINC000781387132 1029182004 /nfs/dbraw/zinc/18/20/04/1029182004.db2.gz GKWKFUQOQBPRIW-UHFFFAOYSA-N -1 3 352.325 2.855 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001157233474 1029514113 /nfs/dbraw/zinc/51/41/13/1029514113.db2.gz KELFUSIFSLGXHD-VIFPVBQESA-N -1 3 370.331 2.888 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782701398 1029789133 /nfs/dbraw/zinc/78/91/33/1029789133.db2.gz VZVDGNYXTKPWSC-GFCCVEGCSA-N -1 3 365.345 2.825 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2c1C[C@H](C)CC2 ZINC000842687062 1030902128 /nfs/dbraw/zinc/90/21/28/1030902128.db2.gz UBDXSEUFAZMCTM-KGLIPLIRSA-N -1 3 366.421 2.825 20 30 FFEDHM Cn1nncc1C([O-])=C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000798815831 1031554936 /nfs/dbraw/zinc/55/49/36/1031554936.db2.gz DGPRILFBGHGLLZ-CQSZACIVSA-N -1 3 361.361 2.569 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Br)cn3ccnc23)ccc1[O-] ZINC001151653471 1032001924 /nfs/dbraw/zinc/00/19/24/1032001924.db2.gz GSOHGUSWZWYLMH-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM [O-]/N=C(\OC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1ccccn1 ZINC001223975840 1033664778 /nfs/dbraw/zinc/66/47/78/1033664778.db2.gz HFSJIECWZMOYTG-UCQKPKSFSA-N -1 3 367.331 2.712 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](O/C(=N\[O-])c2ccccn2)CC1 ZINC001223978589 1033670640 /nfs/dbraw/zinc/67/06/40/1033670640.db2.gz VJZASWKYWAXLSH-MVPRXGHUSA-N -1 3 353.394 2.972 20 30 FFEDHM N#Cc1cccc([C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C(F)(F)F)c1 ZINC000831096262 1033946469 /nfs/dbraw/zinc/94/64/69/1033946469.db2.gz VBVDEXICZAWQNQ-CQSZACIVSA-N -1 3 362.311 2.965 20 30 FFEDHM N#Cc1cccc([C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C(F)(F)F)c1 ZINC000831096261 1033946803 /nfs/dbraw/zinc/94/68/03/1033946803.db2.gz VBVDEXICZAWQNQ-AWEZNQCLSA-N -1 3 362.311 2.965 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)[n-]1 ZINC001225466912 1034265689 /nfs/dbraw/zinc/26/56/89/1034265689.db2.gz IDQWYPYQZWYFMC-OCCSQVGLSA-N -1 3 351.378 2.694 20 30 FFEDHM CCOC(=O)[C@H]1C[C@@H](Oc2[n-]c(C)cc(=O)c2C#N)c2ccccc2O1 ZINC001225468044 1034265857 /nfs/dbraw/zinc/26/58/57/1034265857.db2.gz IULPZQVMGAIUCS-IAGOWNOFSA-N -1 3 354.362 2.802 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN(Cc3ccc(F)cc3C(=O)[O-])CC2)C1=O ZINC001277108060 1034572268 /nfs/dbraw/zinc/57/22/68/1034572268.db2.gz SLUVAIQMCVXJQO-FQEVSTJZSA-N -1 3 360.429 2.915 20 30 FFEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532805 1034723607 /nfs/dbraw/zinc/72/36/07/1034723607.db2.gz VMLQZEXXMDMSMM-HNNXBMFYSA-N -1 3 374.465 2.998 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001140494915 1035501686 /nfs/dbraw/zinc/50/16/86/1035501686.db2.gz NWEZJNGRGHEGBP-PXNSSMCTSA-N -1 3 362.470 2.903 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)nn1C(C)C ZINC000835066893 1035503863 /nfs/dbraw/zinc/50/38/63/1035503863.db2.gz DTANHQKLNBMSRT-AWEZNQCLSA-N -1 3 368.393 2.505 20 30 FFEDHM COC(=O)C1=C[C@@H](Oc2cc(C#N)ccc2[O-])CN(Cc2ccccc2)C1 ZINC001227349558 1035515519 /nfs/dbraw/zinc/51/55/19/1035515519.db2.gz HRINPDLUEADDPG-GOSISDBHSA-N -1 3 364.401 2.626 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277232726 1035681229 /nfs/dbraw/zinc/68/12/29/1035681229.db2.gz YITUSJQILDPKIE-IBGZPJMESA-N -1 3 364.873 2.673 20 30 FFEDHM C[C@@H](O)CCCC(=O)Oc1ccc([O-])c2c1C(=O)C(Cl)=C(Cl)C2=O ZINC001229377862 1036639864 /nfs/dbraw/zinc/63/98/64/1036639864.db2.gz FZUJQKXFTRBPSV-SSDOTTSWSA-N -1 3 373.188 2.917 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](COc1cc([O-])cc(C#N)c1)O2 ZINC001234138610 1036934716 /nfs/dbraw/zinc/93/47/16/1036934716.db2.gz BQKHUIHOZGKNMP-OAHLLOKOSA-N -1 3 360.410 2.811 20 30 FFEDHM C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3cc(F)c([O-])cc3F)C2)C1=O ZINC001276567303 1038213104 /nfs/dbraw/zinc/21/31/04/1038213104.db2.gz XZVGWYBGYKGIJA-LJQANCHMSA-N -1 3 364.392 2.588 20 30 FFEDHM CCn1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)cn1 ZINC001251793441 1039301410 /nfs/dbraw/zinc/30/14/10/1039301410.db2.gz KMCSWNFMWXGTSM-UHFFFAOYSA-N -1 3 369.450 2.790 20 30 FFEDHM COc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1F ZINC001259114779 1039722234 /nfs/dbraw/zinc/72/22/34/1039722234.db2.gz ARZDACCIGPECMN-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259114851 1039724062 /nfs/dbraw/zinc/72/40/62/1039724062.db2.gz FTMBOVBWZHUNPQ-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC001259241305 1039830542 /nfs/dbraw/zinc/83/05/42/1039830542.db2.gz CAYPQSGMIAZWBI-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM O=S(=O)([N-]CC(F)(F)C(F)(F)F)c1cccc(OC(F)F)c1 ZINC001259447390 1040015785 /nfs/dbraw/zinc/01/57/85/1040015785.db2.gz MOLCCDRREWWXLX-UHFFFAOYSA-N -1 3 355.231 2.764 20 30 FFEDHM N#Cc1ncc([N-]S(=O)(=O)CCc2ccccc2)cc1C(F)(F)F ZINC001259732905 1040150207 /nfs/dbraw/zinc/15/02/07/1040150207.db2.gz SMQZTEYAFZQCBU-UHFFFAOYSA-N -1 3 355.341 2.956 20 30 FFEDHM CCCC[C@](CC)([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OCC ZINC001260048036 1040378409 /nfs/dbraw/zinc/37/84/09/1040378409.db2.gz HIMHWSLWEGLBCQ-SFHVURJKSA-N -1 3 366.483 2.880 20 30 FFEDHM Cc1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)n(C)n1 ZINC001261378213 1041201002 /nfs/dbraw/zinc/20/10/02/1041201002.db2.gz SOGVEOIRLWUBLA-UHFFFAOYSA-N -1 3 369.450 2.615 20 30 FFEDHM CCCCCCCCc1nnc(NC(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC001214371411 1041400385 /nfs/dbraw/zinc/40/03/85/1041400385.db2.gz JNSCUABEMDOJTO-LBPRGKRZSA-N -1 3 369.491 2.943 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CCCC2=O ZINC001538172325 1070360114 /nfs/dbraw/zinc/36/01/14/1070360114.db2.gz NMGYKDBZNQTODZ-UHFFFAOYSA-N -1 3 370.434 2.823 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cc(C#N)ccc3F)no2)cc1 ZINC001215445620 1041784732 /nfs/dbraw/zinc/78/47/32/1041784732.db2.gz AEWTYWNNDXXUFI-UHFFFAOYSA-N -1 3 358.354 2.786 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)nn2cccnc12 ZINC001309580493 1043443195 /nfs/dbraw/zinc/44/31/95/1043443195.db2.gz ZZGJYILZPBTQJW-MRXNPFEDSA-N -1 3 356.451 2.503 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001309607267 1043452760 /nfs/dbraw/zinc/45/27/60/1043452760.db2.gz XALUBGRAEZDLNR-KBPBESRZSA-N -1 3 350.465 2.680 20 30 FFEDHM COc1ccc(-c2ccc(C)c(NC(=O)N[C@H]3CCCN([O-])C3=O)c2)cn1 ZINC001310630514 1043715220 /nfs/dbraw/zinc/71/52/20/1043715220.db2.gz IRBDPVDNUGDBCP-HNNXBMFYSA-N -1 3 370.409 2.567 20 30 FFEDHM COc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001241861554 1044618755 /nfs/dbraw/zinc/61/87/55/1044618755.db2.gz FDXFNHSKXQNEHE-CYBMUJFWSA-N -1 3 369.377 2.799 20 30 FFEDHM O=C(OCc1ccccc1-c1cccc([O-])c1F)ON1C(=O)CCC1=O ZINC001243546506 1044950600 /nfs/dbraw/zinc/95/06/00/1044950600.db2.gz IDDRJYCFHYCNMQ-UHFFFAOYSA-N -1 3 359.309 2.916 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c(Cl)cncc1Cl ZINC001319245753 1045082160 /nfs/dbraw/zinc/08/21/60/1045082160.db2.gz XEUOZSVMURRUAZ-UHFFFAOYSA-N -1 3 365.220 2.971 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1 ZINC001319339326 1045116426 /nfs/dbraw/zinc/11/64/26/1045116426.db2.gz SGXKXUNDHGGNPW-UHFFFAOYSA-N -1 3 359.382 2.577 20 30 FFEDHM N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)cc1 ZINC001319574028 1045200068 /nfs/dbraw/zinc/20/00/68/1045200068.db2.gz XYSVSMJOJOWJAV-GFCCVEGCSA-N -1 3 355.781 2.909 20 30 FFEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC001322684928 1046180447 /nfs/dbraw/zinc/18/04/47/1046180447.db2.gz DAHRCIMNUNVSFP-QMMMGPOBSA-N -1 3 354.653 2.582 20 30 FFEDHM C#CCN(CC1CC1)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC001325513216 1046535593 /nfs/dbraw/zinc/53/55/93/1046535593.db2.gz RUVVCMWGJVMCHB-GFCCVEGCSA-N -1 3 373.478 2.876 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OC)C(=O)OCC ZINC001287776047 1047358095 /nfs/dbraw/zinc/35/80/95/1047358095.db2.gz IABGKDMEUSDCIP-GFCCVEGCSA-N -1 3 361.772 2.978 20 30 FFEDHM CC[C@]([N-]S(=O)(=O)c1ccc(CC#N)cc1)(C(=O)OC)c1ccccc1 ZINC001327872596 1048075241 /nfs/dbraw/zinc/07/52/41/1048075241.db2.gz SEQDBPZRJIDKCG-LJQANCHMSA-N -1 3 372.446 2.509 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001332299179 1048337290 /nfs/dbraw/zinc/33/72/90/1048337290.db2.gz ZNNPRGSIIPYVGU-UHFFFAOYSA-N -1 3 371.478 2.989 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CCC1 ZINC001328709134 1048430346 /nfs/dbraw/zinc/43/03/46/1048430346.db2.gz RURPPFOVKBRVJH-UHFFFAOYSA-N -1 3 353.753 2.726 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@@H]1C(F)(F)F ZINC001332588621 1048465092 /nfs/dbraw/zinc/46/50/92/1048465092.db2.gz MLHNICSRYGABGN-CQSZACIVSA-N -1 3 359.373 2.672 20 30 FFEDHM C=C(C)C[C@H](NCc1c(Br)cc(OC)cc1OC)C(=O)[O-] ZINC001329311655 1048663444 /nfs/dbraw/zinc/66/34/44/1048663444.db2.gz WUYKWNDRXIUSLM-ZDUSSCGKSA-N -1 3 358.232 2.975 20 30 FFEDHM CC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cccc(OC)c1OC ZINC001329363853 1048686704 /nfs/dbraw/zinc/68/67/04/1048686704.db2.gz NTCTUGAQFUUFCE-AWEZNQCLSA-N -1 3 360.435 2.894 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1cnc(C)s1 ZINC001341739126 1050356680 /nfs/dbraw/zinc/35/66/80/1050356680.db2.gz GVDSQZOQVPNFPM-UHFFFAOYSA-N -1 3 371.470 2.727 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)ccc2=O)cc1 ZINC001342049373 1050648653 /nfs/dbraw/zinc/64/86/53/1050648653.db2.gz PFBBGTYRUFXFDR-MRXNPFEDSA-N -1 3 351.406 2.689 20 30 FFEDHM N#Cc1cccc(NC2CN(C(=O)c3cc([O-])cc(Br)c3)C2)c1 ZINC001301639274 1050943188 /nfs/dbraw/zinc/94/31/88/1050943188.db2.gz IDTKDWQFJNSTHB-UHFFFAOYSA-N -1 3 372.222 2.963 20 30 FFEDHM CCn1c(-c2c[n-]c3c(F)c(F)ccc3c2=O)nnc1N(C)C[C@H](C)C#N ZINC001340870150 1051201513 /nfs/dbraw/zinc/20/15/13/1051201513.db2.gz PHWMGSOKACDNPV-SNVBAGLBSA-N -1 3 372.379 2.681 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cn1 ZINC001309032191 1052543271 /nfs/dbraw/zinc/54/32/71/1052543271.db2.gz QUCKGVIWCDACAV-UHFFFAOYSA-N -1 3 359.432 2.655 20 30 FFEDHM Cc1occc1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001309122186 1052559233 /nfs/dbraw/zinc/55/92/33/1052559233.db2.gz OJJFBKAPGUDQER-UHFFFAOYSA-N -1 3 373.203 2.840 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc([N+](=O)[O-])c1 ZINC001309362167 1052605268 /nfs/dbraw/zinc/60/52/68/1052605268.db2.gz WCIIDNZSTYRDRE-LBPRGKRZSA-N -1 3 351.409 2.958 20 30 FFEDHM C=CCO[C@H]1CCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)C1 ZINC001346032336 1052714815 /nfs/dbraw/zinc/71/48/15/1052714815.db2.gz PLSVFPNDMJVVMJ-LBPRGKRZSA-N -1 3 373.438 2.530 20 30 FFEDHM C=CCC[C@H]1CCCN1c1nnc(-c2cnc[n-]c2=O)n1C[C@@H]1CCCO1 ZINC001347905031 1054443321 /nfs/dbraw/zinc/44/33/21/1054443321.db2.gz BKMSPABUVIIJCZ-GJZGRUSLSA-N -1 3 370.457 2.555 20 30 FFEDHM N#CC(=C([O-])c1cnc(OC2CCOCC2)c(Cl)c1)c1ccncn1 ZINC001348030547 1054574902 /nfs/dbraw/zinc/57/49/02/1054574902.db2.gz WYDHGYGTHLBLBX-ZDUSSCGKSA-N -1 3 358.785 2.573 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H](C)CCSCC ZINC001356380762 1055480635 /nfs/dbraw/zinc/48/06/35/1055480635.db2.gz HDYLTPYYAHWGIA-ZDUSSCGKSA-N -1 3 362.503 2.985 20 30 FFEDHM Cn1c2ccc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)cc2nc1C1CC1 ZINC001349840768 1055496934 /nfs/dbraw/zinc/49/69/34/1055496934.db2.gz QMTYQFGDPGMQMM-UHFFFAOYSA-N -1 3 366.446 2.689 20 30 FFEDHM C#CCCN(CCOC)c1nnc(-c2sc3ncccc3c2[O-])n1CC ZINC001357516822 1055929441 /nfs/dbraw/zinc/92/94/41/1055929441.db2.gz KNPZZFAQLDUMNF-UHFFFAOYSA-N -1 3 371.466 2.756 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC001338963454 1055969552 /nfs/dbraw/zinc/96/95/52/1055969552.db2.gz MOYIGQDRTZHFIL-CHWSQXEVSA-N -1 3 360.487 2.737 20 30 FFEDHM C[C@H](CC#N)N(C)c1nnc(-c2nnc(Cl)[n-]2)n1CCc1ccccc1 ZINC001357969006 1056082621 /nfs/dbraw/zinc/08/26/21/1056082621.db2.gz CLOVDUKTZYDICV-GFCCVEGCSA-N -1 3 370.848 2.698 20 30 FFEDHM C[C@H](CC#N)N(C)c1nnc(-c2n[n-]c(Cl)n2)n1CCc1ccccc1 ZINC001357969006 1056082628 /nfs/dbraw/zinc/08/26/28/1056082628.db2.gz CLOVDUKTZYDICV-GFCCVEGCSA-N -1 3 370.848 2.698 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC1SCCS1 ZINC001351230082 1056146682 /nfs/dbraw/zinc/14/66/82/1056146682.db2.gz ONQALNOKOXKJEU-UHFFFAOYSA-N -1 3 351.497 2.521 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001339214301 1056212396 /nfs/dbraw/zinc/21/23/96/1056212396.db2.gz IGDOBMDJNZGAMV-ROUUACIJSA-N -1 3 357.454 2.768 20 30 FFEDHM CN(c1nnc(-c2nn(-c3ccccc3)cc2[O-])n1C)[C@H]1CCC[C@H]1C#N ZINC001519523349 1058797454 /nfs/dbraw/zinc/79/74/54/1058797454.db2.gz HRJPNOLOLZSRDD-ZFWWWQNUSA-N -1 3 363.425 2.502 20 30 FFEDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCSCC1 ZINC001519575499 1058845901 /nfs/dbraw/zinc/84/59/01/1058845901.db2.gz UUMHKNPNYPRHCX-UHFFFAOYSA-N -1 3 353.394 2.642 20 30 FFEDHM Cc1cc(Cl)ccc1O[C@@H](C(=O)N[C@@H]1CCN([O-])C1=O)c1ccccc1 ZINC001450157337 1058985760 /nfs/dbraw/zinc/98/57/60/1058985760.db2.gz NFQVMMOHHKYRPC-NVXWUHKLSA-N -1 3 374.824 2.875 20 30 FFEDHM Cc1sc(Cl)nc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC001354679572 1059355629 /nfs/dbraw/zinc/35/56/29/1059355629.db2.gz BEKJJHOJWYLDIX-UHFFFAOYSA-N -1 3 358.814 2.869 20 30 FFEDHM CCOc1nnc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[n-]1 ZINC001454983183 1059659737 /nfs/dbraw/zinc/65/97/37/1059659737.db2.gz WXGJTNZHLHFJAG-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CCOc1nc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n[n-]1 ZINC001454983183 1059659745 /nfs/dbraw/zinc/65/97/45/1059659745.db2.gz WXGJTNZHLHFJAG-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CCOc1n[n-]c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n1 ZINC001454983183 1059659753 /nfs/dbraw/zinc/65/97/53/1059659753.db2.gz WXGJTNZHLHFJAG-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NC1CCCN3CCCC[C@H]13)[n-]c2=O ZINC000848405227 1059948601 /nfs/dbraw/zinc/94/86/01/1059948601.db2.gz DFHACDOEOJKQIT-CQSZACIVSA-N -1 3 357.462 2.703 20 30 FFEDHM COc1ccc([C@@H]2[C@@H](C(=O)N([O-])Cc3ccc(F)cc3)CC(=O)N2C)cc1 ZINC001458016157 1060490847 /nfs/dbraw/zinc/49/08/47/1060490847.db2.gz IQGAYHRHBXRGEY-PKOBYXMFSA-N -1 3 372.396 2.772 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](C(=O)OCC)C3)n2C)c1[O-] ZINC001355746285 1060555761 /nfs/dbraw/zinc/55/57/61/1060555761.db2.gz RSPBWCUHHSRQIR-HNNXBMFYSA-N -1 3 370.453 2.696 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC001475578551 1061147340 /nfs/dbraw/zinc/14/73/40/1061147340.db2.gz IXXGWCPLPNDJFH-ZDUSSCGKSA-N -1 3 366.266 2.921 20 30 FFEDHM Cc1nn(C(C)(C)C)c2nc(Cl)c(CN[C@H]3CCCN([O-])C3=O)cc12 ZINC001462399379 1061610147 /nfs/dbraw/zinc/61/01/47/1061610147.db2.gz DJQJDVMDKGCDAW-ZDUSSCGKSA-N -1 3 365.865 2.618 20 30 FFEDHM Cc1oc(C(=O)[N-]c2nc3c(cc2C#N)C[C@@H](C)CC3)cc1S(C)(=O)=O ZINC001463408692 1062092034 /nfs/dbraw/zinc/09/20/34/1062092034.db2.gz YMWLSZKQUTVJKL-JTQLQIEISA-N -1 3 373.434 2.635 20 30 FFEDHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC001463808131 1062272370 /nfs/dbraw/zinc/27/23/70/1062272370.db2.gz NDZIUBRHNBURKG-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC001440970461 1063380339 /nfs/dbraw/zinc/38/03/39/1063380339.db2.gz STXVNZIOHGLNGH-UHFFFAOYSA-N -1 3 358.419 2.713 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC001471049568 1064541722 /nfs/dbraw/zinc/54/17/22/1064541722.db2.gz DKZDKFHOXLWDGJ-LRDDRELGSA-N -1 3 368.393 2.705 20 30 FFEDHM Cc1csc(C[N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)n1 ZINC001474804589 1065612332 /nfs/dbraw/zinc/61/23/32/1065612332.db2.gz FEQGYHLCWWWGFI-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM COc1cc(C#N)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001579888943 1078708975 /nfs/dbraw/zinc/70/89/75/1078708975.db2.gz WMVRMOGRLDKZLZ-UHFFFAOYSA-N -1 3 368.784 2.677 20 30 FFEDHM COc1cc(C#N)ccc1C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001579888943 1078708978 /nfs/dbraw/zinc/70/89/78/1078708978.db2.gz WMVRMOGRLDKZLZ-UHFFFAOYSA-N -1 3 368.784 2.677 20 30 FFEDHM COc1cc(C#N)ccc1OC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001579890599 1078709139 /nfs/dbraw/zinc/70/91/39/1078709139.db2.gz UJRGWVZVCFJCKX-UHFFFAOYSA-N -1 3 363.377 2.630 20 30 FFEDHM COc1cc(C#N)ccc1OC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001579890599 1078709143 /nfs/dbraw/zinc/70/91/43/1078709143.db2.gz UJRGWVZVCFJCKX-UHFFFAOYSA-N -1 3 363.377 2.630 20 30 FFEDHM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC001581200711 1078934534 /nfs/dbraw/zinc/93/45/34/1078934534.db2.gz VLZMXOKTTRASES-ZDUSSCGKSA-N -1 3 362.393 2.591 20 30 FFEDHM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC001581200711 1078934543 /nfs/dbraw/zinc/93/45/43/1078934543.db2.gz VLZMXOKTTRASES-ZDUSSCGKSA-N -1 3 362.393 2.591 20 30 FFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001581859951 1079008974 /nfs/dbraw/zinc/00/89/74/1079008974.db2.gz DROZOGYJHQJVPB-RHSMWYFYSA-N -1 3 360.377 2.544 20 30 FFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001581859951 1079008980 /nfs/dbraw/zinc/00/89/80/1079008980.db2.gz DROZOGYJHQJVPB-RHSMWYFYSA-N -1 3 360.377 2.544 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(F)c3ccncc23)ccc1-c1nnn[n-]1 ZINC001581866560 1079011449 /nfs/dbraw/zinc/01/14/49/1079011449.db2.gz JOLWHRNSQFMNRM-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(F)c3ccncc23)ccc1-c1nn[n-]n1 ZINC001581866560 1079011458 /nfs/dbraw/zinc/01/14/58/1079011458.db2.gz JOLWHRNSQFMNRM-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM Cn1nccc1[C@@H]1[C@H](/N=C\c2cc(Cl)ccc2[O-])CC(=O)N1C1CC1 ZINC001548533197 1073434427 /nfs/dbraw/zinc/43/44/27/1073434427.db2.gz OCZUEBVVRGCDIW-INTMVARXSA-N -1 3 358.829 2.703 20 30 FFEDHM Cc1ncc(CO)c(C=N[C@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC001548834024 1073458297 /nfs/dbraw/zinc/45/82/97/1073458297.db2.gz XISDPATXFNRXRC-ICXMQADFSA-N -1 3 368.437 2.688 20 30 FFEDHM C#CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCC1 ZINC001585005672 1079414620 /nfs/dbraw/zinc/41/46/20/1079414620.db2.gz JLZBXIVYUOKDJZ-UHFFFAOYSA-N -1 3 366.458 2.578 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001557386690 1075844502 /nfs/dbraw/zinc/84/45/02/1075844502.db2.gz KTLNLESWWDMEPE-UHFFFAOYSA-N -1 3 374.824 2.599 20 30 FFEDHM C#CCN1CCC([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 ZINC001561939798 1076449850 /nfs/dbraw/zinc/44/98/50/1076449850.db2.gz BZWAANXCAXLBHA-UHFFFAOYSA-N -1 3 361.294 2.678 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)CCCCC1 ZINC001561958521 1076454275 /nfs/dbraw/zinc/45/42/75/1076454275.db2.gz ONIXUUWXSYQYSL-UHFFFAOYSA-N -1 3 353.415 2.617 20 30 FFEDHM CC(C)(NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001573919367 1077846972 /nfs/dbraw/zinc/84/69/72/1077846972.db2.gz ANCIPYYLZGDFRU-UHFFFAOYSA-N -1 3 350.357 2.543 20 30 FFEDHM CC(C)(NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001573919367 1077846977 /nfs/dbraw/zinc/84/69/77/1077846977.db2.gz ANCIPYYLZGDFRU-UHFFFAOYSA-N -1 3 350.357 2.543 20 30 FFEDHM N#Cc1cc(Br)ccc1CN(CCC(=O)[O-])C1CCOCC1 ZINC001574479133 1077999272 /nfs/dbraw/zinc/99/92/72/1077999272.db2.gz DRWFLLIWPRBDLQ-UHFFFAOYSA-N -1 3 367.243 2.776 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001588329448 1079985299 /nfs/dbraw/zinc/98/52/99/1079985299.db2.gz GKUHLXQTDFPDLR-VXGBXAGGSA-N -1 3 374.470 2.528 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588329448 1079985310 /nfs/dbraw/zinc/98/53/10/1079985310.db2.gz GKUHLXQTDFPDLR-VXGBXAGGSA-N -1 3 374.470 2.528 20 30 FFEDHM C#C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001588328977 1079985396 /nfs/dbraw/zinc/98/53/96/1079985396.db2.gz VCXGQFZBDDPTAV-CYBMUJFWSA-N -1 3 373.735 2.749 20 30 FFEDHM C#C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001588328977 1079985398 /nfs/dbraw/zinc/98/53/98/1079985398.db2.gz VCXGQFZBDDPTAV-CYBMUJFWSA-N -1 3 373.735 2.749 20 30 FFEDHM C#C[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)(C)C ZINC001588329365 1079986136 /nfs/dbraw/zinc/98/61/36/1079986136.db2.gz DZWCPHXKRKQOMS-KRWDZBQOSA-N -1 3 364.453 2.713 20 30 FFEDHM C#C[C@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)(C)C ZINC001588329365 1079986144 /nfs/dbraw/zinc/98/61/44/1079986144.db2.gz DZWCPHXKRKQOMS-KRWDZBQOSA-N -1 3 364.453 2.713 20 30 FFEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001588332631 1079986999 /nfs/dbraw/zinc/98/69/99/1079986999.db2.gz OMJMGDJEFNQJIF-SNVBAGLBSA-N -1 3 364.331 2.763 20 30 FFEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001588332631 1079987005 /nfs/dbraw/zinc/98/70/05/1079987005.db2.gz OMJMGDJEFNQJIF-SNVBAGLBSA-N -1 3 364.331 2.763 20 30 FFEDHM C#CCCOc1ccc(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001588347699 1079990460 /nfs/dbraw/zinc/99/04/60/1079990460.db2.gz UNYDZZGDIHLCIB-IBGZPJMESA-N -1 3 373.416 2.686 20 30 FFEDHM C#CCCOc1ccc(C(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001588347699 1079990463 /nfs/dbraw/zinc/99/04/63/1079990463.db2.gz UNYDZZGDIHLCIB-IBGZPJMESA-N -1 3 373.416 2.686 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)C)C2 ZINC001588360099 1079992132 /nfs/dbraw/zinc/99/21/32/1079992132.db2.gz IGMGCULZJJBDOR-RYUDHWBXSA-N -1 3 373.482 2.666 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)C)C2 ZINC001588360099 1079992138 /nfs/dbraw/zinc/99/21/38/1079992138.db2.gz IGMGCULZJJBDOR-RYUDHWBXSA-N -1 3 373.482 2.666 20 30 FFEDHM C#CCSCCNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588363778 1079994066 /nfs/dbraw/zinc/99/40/66/1079994066.db2.gz ALEGCXVPEYNMNH-UHFFFAOYSA-N -1 3 356.224 2.547 20 30 FFEDHM C#CCSCCNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588363778 1079994069 /nfs/dbraw/zinc/99/40/69/1079994069.db2.gz ALEGCXVPEYNMNH-UHFFFAOYSA-N -1 3 356.224 2.547 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@@H](C)C[C@@H]2C ZINC001588362772 1079994137 /nfs/dbraw/zinc/99/41/37/1079994137.db2.gz SGSQQZXFPSWXLS-QWRGUYRKSA-N -1 3 359.455 2.592 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@@H](C)C[C@@H]2C ZINC001588362772 1079994140 /nfs/dbraw/zinc/99/41/40/1079994140.db2.gz SGSQQZXFPSWXLS-QWRGUYRKSA-N -1 3 359.455 2.592 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588394120 1080006723 /nfs/dbraw/zinc/00/67/23/1080006723.db2.gz VCNRSYRFYZGBQH-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588394120 1080006733 /nfs/dbraw/zinc/00/67/33/1080006733.db2.gz VCNRSYRFYZGBQH-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588397170 1080009049 /nfs/dbraw/zinc/00/90/49/1080009049.db2.gz YWQHKVWOHDQASV-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588397170 1080009058 /nfs/dbraw/zinc/00/90/58/1080009058.db2.gz YWQHKVWOHDQASV-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588410907 1080014364 /nfs/dbraw/zinc/01/43/64/1080014364.db2.gz ZKDWOCCYPRUMSV-HNNXBMFYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588410907 1080014376 /nfs/dbraw/zinc/01/43/76/1080014376.db2.gz ZKDWOCCYPRUMSV-HNNXBMFYSA-N -1 3 369.473 2.577 20 30 FFEDHM C#CCN1CCC(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CC1 ZINC001588432394 1080025774 /nfs/dbraw/zinc/02/57/74/1080025774.db2.gz QFIPMFYIXDCOJA-LBPRGKRZSA-N -1 3 360.479 2.855 20 30 FFEDHM C=C(C)Cn1c(N2Cc3ccc(-c4nnn[n-]4)cc3C2)nnc1C(C)(C)C ZINC001588437135 1080027061 /nfs/dbraw/zinc/02/70/61/1080027061.db2.gz YJWUTXQFFMZCAX-UHFFFAOYSA-N -1 3 364.457 2.852 20 30 FFEDHM C=C(C)Cn1c(N2Cc3ccc(-c4nn[n-]n4)cc3C2)nnc1C(C)(C)C ZINC001588437135 1080027071 /nfs/dbraw/zinc/02/70/71/1080027071.db2.gz YJWUTXQFFMZCAX-UHFFFAOYSA-N -1 3 364.457 2.852 20 30 FFEDHM C=C1CC(C)(C(=O)NCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)C)C1 ZINC001588453957 1080030902 /nfs/dbraw/zinc/03/09/02/1080030902.db2.gz FBCJLKMLRGMEGM-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CC(C)(C(=O)NCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)C)C1 ZINC001588453957 1080030919 /nfs/dbraw/zinc/03/09/19/1080030919.db2.gz FBCJLKMLRGMEGM-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CC(C)(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)C1 ZINC001588456261 1080033513 /nfs/dbraw/zinc/03/35/13/1080033513.db2.gz KAFDQQIPTPVIJW-UHFFFAOYSA-N -1 3 356.386 2.730 20 30 FFEDHM C=C1CC(C)(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)C1 ZINC001588456261 1080033519 /nfs/dbraw/zinc/03/35/19/1080033519.db2.gz KAFDQQIPTPVIJW-UHFFFAOYSA-N -1 3 356.386 2.730 20 30 FFEDHM C=C1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Br)c2)CC1 ZINC001588462410 1080038029 /nfs/dbraw/zinc/03/80/29/1080038029.db2.gz GLSZLLRJEDABNZ-UHFFFAOYSA-N -1 3 363.219 2.813 20 30 FFEDHM C=C1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Br)c2)CC1 ZINC001588462410 1080038037 /nfs/dbraw/zinc/03/80/37/1080038037.db2.gz GLSZLLRJEDABNZ-UHFFFAOYSA-N -1 3 363.219 2.813 20 30 FFEDHM C=C[C@@H](C(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc12)c1ccccc1 ZINC001588468515 1080039361 /nfs/dbraw/zinc/03/93/61/1080039361.db2.gz UHFGDIUEXGKMKT-CYBMUJFWSA-N -1 3 359.393 2.960 20 30 FFEDHM C=C[C@@H](C(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc12)c1ccccc1 ZINC001588468515 1080039369 /nfs/dbraw/zinc/03/93/69/1080039369.db2.gz UHFGDIUEXGKMKT-CYBMUJFWSA-N -1 3 359.393 2.960 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CNc1nc(C)ccc1-c1nnn[n-]1)C(C)(C)C ZINC001588474706 1080040894 /nfs/dbraw/zinc/04/08/94/1080040894.db2.gz GJOODOQNVMHQNO-AWEZNQCLSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H](CNc1nc(C)ccc1-c1nn[n-]n1)C(C)(C)C ZINC001588474706 1080040905 /nfs/dbraw/zinc/04/09/05/1080040905.db2.gz GJOODOQNVMHQNO-AWEZNQCLSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588484875 1080050501 /nfs/dbraw/zinc/05/05/01/1080050501.db2.gz QQUQXKQYQCGRLZ-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588484875 1080050506 /nfs/dbraw/zinc/05/05/06/1080050506.db2.gz QQUQXKQYQCGRLZ-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588484938 1080050980 /nfs/dbraw/zinc/05/09/80/1080050980.db2.gz SFGYXTFZVSDOGY-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588484938 1080050988 /nfs/dbraw/zinc/05/09/88/1080050988.db2.gz SFGYXTFZVSDOGY-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC[C@H](C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588532316 1080080635 /nfs/dbraw/zinc/08/06/35/1080080635.db2.gz RWHKYFBQZSKYNM-KRWDZBQOSA-N -1 3 362.389 2.953 20 30 FFEDHM C=CC[C@H](C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588532316 1080080643 /nfs/dbraw/zinc/08/06/43/1080080643.db2.gz RWHKYFBQZSKYNM-KRWDZBQOSA-N -1 3 362.389 2.953 20 30 FFEDHM C=CC[C@H](CC)NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588541689 1080087758 /nfs/dbraw/zinc/08/77/58/1080087758.db2.gz QKVCCUNGUJHSEZ-HNNXBMFYSA-N -1 3 370.457 2.774 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](CC)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588553863 1080093001 /nfs/dbraw/zinc/09/30/01/1080093001.db2.gz VSNFJLPXTWSVNN-OAHLLOKOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](CC)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588553863 1080093009 /nfs/dbraw/zinc/09/30/09/1080093009.db2.gz VSNFJLPXTWSVNN-OAHLLOKOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588557328 1080094809 /nfs/dbraw/zinc/09/48/09/1080094809.db2.gz LFRXXVQNDHUANL-UHFFFAOYSA-N -1 3 365.434 2.563 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588557328 1080094816 /nfs/dbraw/zinc/09/48/16/1080094816.db2.gz LFRXXVQNDHUANL-UHFFFAOYSA-N -1 3 365.434 2.563 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588560219 1080096060 /nfs/dbraw/zinc/09/60/60/1080096060.db2.gz OPLDKIWQTVBWRA-CJNGLKHVSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588560219 1080096066 /nfs/dbraw/zinc/09/60/66/1080096066.db2.gz OPLDKIWQTVBWRA-CJNGLKHVSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@@H]1N(C(=O)COc2cccc(-c3nnn[n-]3)c2)CCCC1(C)C ZINC001588564883 1080099950 /nfs/dbraw/zinc/09/99/50/1080099950.db2.gz TZFUIGSCMZQAMZ-INIZCTEOSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CC[C@@H]1N(C(=O)COc2cccc(-c3nn[n-]n3)c2)CCCC1(C)C ZINC001588564883 1080099956 /nfs/dbraw/zinc/09/99/56/1080099956.db2.gz TZFUIGSCMZQAMZ-INIZCTEOSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588565104 1080100097 /nfs/dbraw/zinc/10/00/97/1080100097.db2.gz WGHVUMURGGDRCQ-CQSZACIVSA-N -1 3 365.393 2.829 20 30 FFEDHM C=CCCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001588571086 1080102627 /nfs/dbraw/zinc/10/26/27/1080102627.db2.gz GTZDOVXOJUENFN-INIZCTEOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001588571086 1080102631 /nfs/dbraw/zinc/10/26/31/1080102631.db2.gz GTZDOVXOJUENFN-INIZCTEOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC1(CNC(=O)COc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001588578581 1080106579 /nfs/dbraw/zinc/10/65/79/1080106579.db2.gz BQIDQBSIUHKSIP-UHFFFAOYSA-N -1 3 355.442 2.888 20 30 FFEDHM C=CCCC1(CNC(=O)COc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001588578581 1080106583 /nfs/dbraw/zinc/10/65/83/1080106583.db2.gz BQIDQBSIUHKSIP-UHFFFAOYSA-N -1 3 355.442 2.888 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588581804 1080107368 /nfs/dbraw/zinc/10/73/68/1080107368.db2.gz ATEHMWIXKVFCSQ-CABCVRRESA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588581804 1080107371 /nfs/dbraw/zinc/10/73/71/1080107371.db2.gz ATEHMWIXKVFCSQ-CABCVRRESA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001588587963 1080110922 /nfs/dbraw/zinc/11/09/22/1080110922.db2.gz AUWSFDUQUXIIDK-OCCSQVGLSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001588587963 1080110923 /nfs/dbraw/zinc/11/09/23/1080110923.db2.gz AUWSFDUQUXIIDK-OCCSQVGLSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588588640 1080112854 /nfs/dbraw/zinc/11/28/54/1080112854.db2.gz VIRLSWMCIDALES-GOEBONIOSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588588640 1080112857 /nfs/dbraw/zinc/11/28/57/1080112857.db2.gz VIRLSWMCIDALES-GOEBONIOSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCCCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC001588596355 1080116976 /nfs/dbraw/zinc/11/69/76/1080116976.db2.gz OKGNJUILFQDWTI-UHFFFAOYSA-N -1 3 357.462 2.601 20 30 FFEDHM C=CCCN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588603796 1080120687 /nfs/dbraw/zinc/12/06/87/1080120687.db2.gz WCXHGTUUTZGLJO-UHFFFAOYSA-N -1 3 353.382 2.687 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588635548 1080130678 /nfs/dbraw/zinc/13/06/78/1080130678.db2.gz NJEAVNCDXYXTCE-UHFFFAOYSA-N -1 3 356.361 2.861 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588635548 1080130684 /nfs/dbraw/zinc/13/06/84/1080130684.db2.gz NJEAVNCDXYXTCE-UHFFFAOYSA-N -1 3 356.361 2.861 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(F)c(C)c1 ZINC001588648749 1080138098 /nfs/dbraw/zinc/13/80/98/1080138098.db2.gz UMHXLWRVDATMKR-UHFFFAOYSA-N -1 3 352.373 2.538 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(F)c(C)c1 ZINC001588648749 1080138103 /nfs/dbraw/zinc/13/81/03/1080138103.db2.gz UMHXLWRVDATMKR-UHFFFAOYSA-N -1 3 352.373 2.538 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC001588649179 1080139298 /nfs/dbraw/zinc/13/92/98/1080139298.db2.gz JWRXOPRNBKIWCD-IRXDYDNUSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC001588649179 1080139303 /nfs/dbraw/zinc/13/93/03/1080139303.db2.gz JWRXOPRNBKIWCD-IRXDYDNUSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCOc1ccc(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001588690053 1080156238 /nfs/dbraw/zinc/15/62/38/1080156238.db2.gz YUGYJJVNYPLBPQ-UHFFFAOYSA-N -1 3 367.384 2.776 20 30 FFEDHM C=CCOc1ccc(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001588690053 1080156241 /nfs/dbraw/zinc/15/62/41/1080156241.db2.gz YUGYJJVNYPLBPQ-UHFFFAOYSA-N -1 3 367.384 2.776 20 30 FFEDHM C=CCc1ccccc1OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588694515 1080159694 /nfs/dbraw/zinc/15/96/94/1080159694.db2.gz KSNRJCVBXWHMTO-ZDUSSCGKSA-N -1 3 350.378 2.968 20 30 FFEDHM CC#CCCCC(=O)N[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001588740002 1080177481 /nfs/dbraw/zinc/17/74/81/1080177481.db2.gz CNNBYASVZHMFMO-MRXNPFEDSA-N -1 3 370.432 2.506 20 30 FFEDHM CC#CCCCC(=O)N[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001588740002 1080177485 /nfs/dbraw/zinc/17/74/85/1080177485.db2.gz CNNBYASVZHMFMO-MRXNPFEDSA-N -1 3 370.432 2.506 20 30 FFEDHM CC#CCCCC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001588746799 1080179697 /nfs/dbraw/zinc/17/96/97/1080179697.db2.gz WPQXQDRYDSUSFO-UHFFFAOYSA-N -1 3 365.393 2.531 20 30 FFEDHM CC#CCCCC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC001588746799 1080179701 /nfs/dbraw/zinc/17/97/01/1080179701.db2.gz WPQXQDRYDSUSFO-UHFFFAOYSA-N -1 3 365.393 2.531 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001589035939 1080317575 /nfs/dbraw/zinc/31/75/75/1080317575.db2.gz DGOMBZWDHYUBKY-SFHVURJKSA-N -1 3 372.432 2.565 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001589035939 1080317582 /nfs/dbraw/zinc/31/75/82/1080317582.db2.gz DGOMBZWDHYUBKY-SFHVURJKSA-N -1 3 372.432 2.565 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2cc(C#N)ccn2)cc1-c1nnn[n-]1 ZINC001589203717 1080416166 /nfs/dbraw/zinc/41/61/66/1080416166.db2.gz WBXXNOZMBQYWKG-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2cc(C#N)ccn2)cc1-c1nn[n-]n1 ZINC001589203717 1080416169 /nfs/dbraw/zinc/41/61/69/1080416169.db2.gz WBXXNOZMBQYWKG-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001589257477 1080450473 /nfs/dbraw/zinc/45/04/73/1080450473.db2.gz HRQLSZOZFUCVNT-UHFFFAOYSA-N -1 3 370.804 2.596 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001589257477 1080450475 /nfs/dbraw/zinc/45/04/75/1080450475.db2.gz HRQLSZOZFUCVNT-UHFFFAOYSA-N -1 3 370.804 2.596 20 30 FFEDHM CC(C)(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589316760 1080478471 /nfs/dbraw/zinc/47/84/71/1080478471.db2.gz AKSQCOMHQKIDCD-ZWKOTPCHSA-N -1 3 372.432 2.893 20 30 FFEDHM CC(C)(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589316760 1080478475 /nfs/dbraw/zinc/47/84/75/1080478475.db2.gz AKSQCOMHQKIDCD-ZWKOTPCHSA-N -1 3 372.432 2.893 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001589788193 1080742530 /nfs/dbraw/zinc/74/25/30/1080742530.db2.gz UQUOMSACIZAWKC-NSHDSACASA-N -1 3 365.422 2.908 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001589788193 1080742537 /nfs/dbraw/zinc/74/25/37/1080742537.db2.gz UQUOMSACIZAWKC-NSHDSACASA-N -1 3 365.422 2.908 20 30 FFEDHM C[C@@H](NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C#N)cc1 ZINC001589916733 1080857368 /nfs/dbraw/zinc/85/73/68/1080857368.db2.gz CDOSIFDNRLOBDM-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C#N)cc1 ZINC001589916733 1080857372 /nfs/dbraw/zinc/85/73/72/1080857372.db2.gz CDOSIFDNRLOBDM-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1cccc(C#N)c1 ZINC001589932015 1080873696 /nfs/dbraw/zinc/87/36/96/1080873696.db2.gz QNSDMHCDSRMTHI-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1cccc(C#N)c1 ZINC001589932015 1080873708 /nfs/dbraw/zinc/87/37/08/1080873708.db2.gz QNSDMHCDSRMTHI-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589936391 1080879978 /nfs/dbraw/zinc/87/99/78/1080879978.db2.gz AUEAPWHEFQLVDV-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589936391 1080879992 /nfs/dbraw/zinc/87/99/92/1080879992.db2.gz AUEAPWHEFQLVDV-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](Sc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590032734 1080958955 /nfs/dbraw/zinc/95/89/55/1080958955.db2.gz IDSVFZCCQIYUNN-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590032734 1080958959 /nfs/dbraw/zinc/95/89/59/1080958959.db2.gz IDSVFZCCQIYUNN-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NC1(C#N)CCC1 ZINC001590033557 1080960333 /nfs/dbraw/zinc/96/03/33/1080960333.db2.gz XKDPCNBZOPVXEE-SECBINFHSA-N -1 3 362.846 2.563 20 30 FFEDHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)C(=O)NC1(C#N)CCC1 ZINC001590033557 1080960338 /nfs/dbraw/zinc/96/03/38/1080960338.db2.gz XKDPCNBZOPVXEE-SECBINFHSA-N -1 3 362.846 2.563 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@](C)(CN=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590119755 1081027489 /nfs/dbraw/zinc/02/74/89/1081027489.db2.gz HRGBVKGMRIRANG-GOSISDBHSA-N -1 3 371.445 2.912 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@](C)(CN=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590119755 1081027496 /nfs/dbraw/zinc/02/74/96/1081027496.db2.gz HRGBVKGMRIRANG-GOSISDBHSA-N -1 3 371.445 2.912 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccc(Cl)cc1 ZINC000018151044 249325228 /nfs/dbraw/zinc/32/52/28/249325228.db2.gz JVWFGMODVYJOBR-UHFFFAOYSA-N -1 3 373.840 2.645 20 30 FFEDHM Cc1sc2[n-]c(Cn3cnc(C#N)n3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000021914418 220370955 /nfs/dbraw/zinc/37/09/55/220370955.db2.gz SLVHFKISFDQUON-UHFFFAOYSA-N -1 3 362.418 2.780 20 30 FFEDHM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccco1 ZINC000288208417 257160571 /nfs/dbraw/zinc/16/05/71/257160571.db2.gz CVOJGKFEFFTTNK-QGZVFWFLSA-N -1 3 362.451 2.985 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c1 ZINC000331083483 258176806 /nfs/dbraw/zinc/17/68/06/258176806.db2.gz YVVLNJABOOUCQT-UKRRQHHQSA-N -1 3 356.875 2.821 20 30 FFEDHM C=C(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000377130591 512135767 /nfs/dbraw/zinc/13/57/67/512135767.db2.gz OQBFMWQVSCGXCM-SFHVURJKSA-N -1 3 350.418 2.826 20 30 FFEDHM C=CCNC(=O)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000003514784 506337798 /nfs/dbraw/zinc/33/77/98/506337798.db2.gz SYCCZYGRZDUXHC-UHFFFAOYSA-N -1 3 367.431 2.525 20 30 FFEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCO[C@@H](c3cccc(C#N)c3)C1)c2=O ZINC000375334140 512272796 /nfs/dbraw/zinc/27/27/96/512272796.db2.gz RMNNLFOXODSKSW-LJQANCHMSA-N -1 3 373.412 2.922 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000053888015 506459241 /nfs/dbraw/zinc/45/92/41/506459241.db2.gz LXYXMJWEEDKTGV-UHFFFAOYSA-N -1 3 354.797 2.960 20 30 FFEDHM N#CC(=C([O-])c1ccc(OCC(N)=O)cc1)c1nc2ccccc2s1 ZINC000041501893 506525207 /nfs/dbraw/zinc/52/52/07/506525207.db2.gz NLJYSUDWABUXFA-CYBMUJFWSA-N -1 3 351.387 2.650 20 30 FFEDHM C[C@@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)NC(=O)C1CCCCC1 ZINC000066629231 506585470 /nfs/dbraw/zinc/58/54/70/506585470.db2.gz HQTHIKYJGXVLBM-LBPRGKRZSA-N -1 3 356.430 2.930 20 30 FFEDHM C[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)NC(=O)C1CCCCC1 ZINC000066629231 506585479 /nfs/dbraw/zinc/58/54/79/506585479.db2.gz HQTHIKYJGXVLBM-LBPRGKRZSA-N -1 3 356.430 2.930 20 30 FFEDHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)NC(=O)C1CCCCC1 ZINC000066629231 506585485 /nfs/dbraw/zinc/58/54/85/506585485.db2.gz HQTHIKYJGXVLBM-LBPRGKRZSA-N -1 3 356.430 2.930 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(F)ccc21 ZINC000046295487 507112433 /nfs/dbraw/zinc/11/24/33/507112433.db2.gz FZCFCFBGRXUCHT-UHFFFAOYSA-N -1 3 353.397 2.915 20 30 FFEDHM Cc1cccc(C)c1OCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000047201453 507282477 /nfs/dbraw/zinc/28/24/77/507282477.db2.gz CVONKOFGFFVIBC-UHFFFAOYSA-N -1 3 367.449 2.608 20 30 FFEDHM CC(C)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c([O-])c1 ZINC000051430143 507769517 /nfs/dbraw/zinc/76/95/17/507769517.db2.gz GFJFNYAIUGBTNN-UHFFFAOYSA-N -1 3 350.422 2.745 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(C)C)nc1 ZINC000079222778 507945963 /nfs/dbraw/zinc/94/59/63/507945963.db2.gz WVTIAIFWXYWQMF-UHFFFAOYSA-N -1 3 354.410 2.617 20 30 FFEDHM CCCOc1ccc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c([O-])c1 ZINC000091936800 508026280 /nfs/dbraw/zinc/02/62/80/508026280.db2.gz PGBZFBDVUXYLLM-HNNXBMFYSA-N -1 3 367.453 2.553 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3c([O-])cccc3O)C2)c(F)c1 ZINC000092121578 508045262 /nfs/dbraw/zinc/04/52/62/508045262.db2.gz ZOAKQOKHVQPNNC-CYBMUJFWSA-N -1 3 355.369 2.507 20 30 FFEDHM CC(C)(C)CC(=O)NCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731351 508206902 /nfs/dbraw/zinc/20/69/02/508206902.db2.gz XKSSMSYUDSEWSR-UHFFFAOYSA-N -1 3 351.357 2.890 20 30 FFEDHM CC(C)(C)CC(=O)NCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731351 508206904 /nfs/dbraw/zinc/20/69/04/508206904.db2.gz XKSSMSYUDSEWSR-UHFFFAOYSA-N -1 3 351.357 2.890 20 30 FFEDHM CC(C)(C)CC(=O)NCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731351 508206907 /nfs/dbraw/zinc/20/69/07/508206907.db2.gz XKSSMSYUDSEWSR-UHFFFAOYSA-N -1 3 351.357 2.890 20 30 FFEDHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)CCO1 ZINC000076557856 508223688 /nfs/dbraw/zinc/22/36/88/508223688.db2.gz KMZUFSMISANDMC-AWEZNQCLSA-N -1 3 357.435 2.584 20 30 FFEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000084057835 508264143 /nfs/dbraw/zinc/26/41/43/508264143.db2.gz TVYCZWBJBYTKAE-HNNXBMFYSA-N -1 3 358.829 2.640 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000077542634 508331504 /nfs/dbraw/zinc/33/15/04/508331504.db2.gz NSZRDIXZAKMIAH-UHFFFAOYSA-N -1 3 372.513 2.519 20 30 FFEDHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000088547212 508375791 /nfs/dbraw/zinc/37/57/91/508375791.db2.gz JAUALCGEIFDYQN-UHFFFAOYSA-N -1 3 363.826 2.714 20 30 FFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000121780099 508417099 /nfs/dbraw/zinc/41/70/99/508417099.db2.gz NHUGDFOUBYABTB-LBPRGKRZSA-N -1 3 361.261 2.674 20 30 FFEDHM CCO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000127385645 508442299 /nfs/dbraw/zinc/44/22/99/508442299.db2.gz DSGSDOQHXUPYBD-MSOLQXFVSA-N -1 3 371.481 2.602 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000127567078 508470102 /nfs/dbraw/zinc/47/01/02/508470102.db2.gz HSUMORDRKSTSBD-HNNXBMFYSA-N -1 3 352.431 2.858 20 30 FFEDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000156746153 508471289 /nfs/dbraw/zinc/47/12/89/508471289.db2.gz ISWGGELIYJVSIW-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000135509677 508615245 /nfs/dbraw/zinc/61/52/45/508615245.db2.gz CXAQRUDKNXBZTB-INIZCTEOSA-N -1 3 356.513 2.620 20 30 FFEDHM Cc1cnccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000154009831 508697719 /nfs/dbraw/zinc/69/77/19/508697719.db2.gz JBBBACHWWQWCGZ-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000154445818 508786397 /nfs/dbraw/zinc/78/63/97/508786397.db2.gz MSPQJBPSKUEQKS-UHFFFAOYSA-N -1 3 367.424 2.783 20 30 FFEDHM C=CCOc1cccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000130029101 508788923 /nfs/dbraw/zinc/78/89/23/508788923.db2.gz WWWKGCSNTGGDRK-UHFFFAOYSA-N -1 3 352.434 2.915 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119816689 508869496 /nfs/dbraw/zinc/86/94/96/508869496.db2.gz CHXWVBZEMKDEFU-QGZVFWFLSA-N -1 3 364.409 2.724 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119816689 508869497 /nfs/dbraw/zinc/86/94/97/508869497.db2.gz CHXWVBZEMKDEFU-QGZVFWFLSA-N -1 3 364.409 2.724 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c(F)c1 ZINC000131097348 508886253 /nfs/dbraw/zinc/88/62/53/508886253.db2.gz JMVOEKRCZJRQTN-UHFFFAOYSA-N -1 3 374.422 2.694 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)c(F)c1 ZINC000151200372 508976834 /nfs/dbraw/zinc/97/68/34/508976834.db2.gz VVPSKNTYSPXHGS-YGRLFVJLSA-N -1 3 352.337 2.810 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160780647 509031925 /nfs/dbraw/zinc/03/19/25/509031925.db2.gz KTAZUKGJMMZRSL-INIZCTEOSA-N -1 3 371.481 2.794 20 30 FFEDHM C=C[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000155732789 509061067 /nfs/dbraw/zinc/06/10/67/509061067.db2.gz QHRQOCDSOGTEDM-JTQLQIEISA-N -1 3 356.494 2.592 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000120963109 509098655 /nfs/dbraw/zinc/09/86/55/509098655.db2.gz PWOOQXAFRDIUSJ-UHFFFAOYSA-N -1 3 358.369 2.741 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000133080518 509113553 /nfs/dbraw/zinc/11/35/53/509113553.db2.gz MYYBUQOVPGNGHF-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM C=CCCCCCN(C)C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000120994870 509105525 /nfs/dbraw/zinc/10/55/25/509105525.db2.gz IAWXNIGFEKXDGH-MRXNPFEDSA-N -1 3 358.442 2.647 20 30 FFEDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)sc1C ZINC000126662701 509109710 /nfs/dbraw/zinc/10/97/10/509109710.db2.gz GCKSGUNPONGHLO-UHFFFAOYSA-N -1 3 355.872 2.806 20 30 FFEDHM CC[C@@](C)([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nccs1 ZINC000163483519 509381713 /nfs/dbraw/zinc/38/17/13/509381713.db2.gz KIKHSUDMLJECGQ-OAHLLOKOSA-N -1 3 353.444 2.899 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H](NCc3c([O-])ccc(Cl)c3F)C2=O)cc1 ZINC000192243127 509423696 /nfs/dbraw/zinc/42/36/96/509423696.db2.gz KGCARAICFANKQO-MRXNPFEDSA-N -1 3 373.815 2.947 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)cn1 ZINC000186280167 509619859 /nfs/dbraw/zinc/61/98/59/509619859.db2.gz YSIYPEIOTUHSSI-CQSZACIVSA-N -1 3 355.341 2.578 20 30 FFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000173536797 509645857 /nfs/dbraw/zinc/64/58/57/509645857.db2.gz KVAUOTAFKWVXKM-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC000192925645 509701830 /nfs/dbraw/zinc/70/18/30/509701830.db2.gz OZDOTOPEEVFANW-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180196321 509805267 /nfs/dbraw/zinc/80/52/67/509805267.db2.gz CMSCRCLXLIPNLG-SECBINFHSA-N -1 3 353.831 2.899 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1 ZINC000183660432 509912956 /nfs/dbraw/zinc/91/29/56/509912956.db2.gz DAFIOUIFXNDQHR-LLVKDONJSA-N -1 3 363.826 2.517 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c(Cl)c1 ZINC000183700426 509934539 /nfs/dbraw/zinc/93/45/39/509934539.db2.gz DLRQTDWVIPNKJB-OAHLLOKOSA-N -1 3 356.875 2.821 20 30 FFEDHM COCc1nc(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n[n-]1 ZINC000268488479 509963998 /nfs/dbraw/zinc/96/39/98/509963998.db2.gz NOYZRFQDSAQLFF-AWEZNQCLSA-N -1 3 373.482 2.995 20 30 FFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)cc1Cl ZINC000180669375 510046782 /nfs/dbraw/zinc/04/67/82/510046782.db2.gz LHBMWZOYTYIOMC-UHFFFAOYSA-N -1 3 373.837 2.942 20 30 FFEDHM CCO[C@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(CC)CC ZINC000177713731 510211489 /nfs/dbraw/zinc/21/14/89/510211489.db2.gz PASFEAUATDIFMD-ROUUACIJSA-N -1 3 373.497 2.896 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000171536400 510214602 /nfs/dbraw/zinc/21/46/02/510214602.db2.gz GNBKRKFKXHZJME-UHFFFAOYSA-N -1 3 366.380 2.773 20 30 FFEDHM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000194177763 510249559 /nfs/dbraw/zinc/24/95/59/510249559.db2.gz UDSZMPVXPBFIHV-HXUWFJFHSA-N -1 3 372.428 2.551 20 30 FFEDHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000194638914 510459316 /nfs/dbraw/zinc/45/93/16/510459316.db2.gz DBVMWSSHGWDTLS-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1c[nH]c(C#N)c1 ZINC000181602706 510494611 /nfs/dbraw/zinc/49/46/11/510494611.db2.gz DYBPXONIFVLSHV-UHFFFAOYSA-N -1 3 372.328 2.529 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1 ZINC000191091785 510499582 /nfs/dbraw/zinc/49/95/82/510499582.db2.gz SONZOSMKLIAULD-LBPRGKRZSA-N -1 3 356.469 2.594 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184790723 510517829 /nfs/dbraw/zinc/51/78/29/510517829.db2.gz CPKOICDKPYFGRS-CYBMUJFWSA-N -1 3 371.466 2.961 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(C)c2C#N)cs1 ZINC000269769613 510542080 /nfs/dbraw/zinc/54/20/80/510542080.db2.gz FNPVZOCBSFRHGN-LLVKDONJSA-N -1 3 351.453 2.509 20 30 FFEDHM N#Cc1csc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000178346829 510557867 /nfs/dbraw/zinc/55/78/67/510557867.db2.gz ZBPHDCYJQAWYAY-UHFFFAOYSA-N -1 3 355.419 2.816 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000178514716 510639798 /nfs/dbraw/zinc/63/97/98/510639798.db2.gz MZPGECLZRJGZFE-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185083557 510675678 /nfs/dbraw/zinc/67/56/78/510675678.db2.gz PJCKDCFYDIBZNK-SASJJMKUSA-N -1 3 374.915 2.570 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246902865 510737868 /nfs/dbraw/zinc/73/78/68/510737868.db2.gz RMMQCBXZUAWZGT-IUIKQTSFSA-N -1 3 366.870 2.838 20 30 FFEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccc(C#N)cc32)cc1 ZINC000270263215 510739591 /nfs/dbraw/zinc/73/95/91/510739591.db2.gz QYOBDDBBRSPOSU-UHFFFAOYSA-N -1 3 369.446 2.913 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000185282821 510789815 /nfs/dbraw/zinc/78/98/15/510789815.db2.gz CODYPBBJMQSLKS-DOMZBBRYSA-N -1 3 372.899 2.545 20 30 FFEDHM O=C(c1nccs1)C(C(=S)[N-]C1CCCCC1)[n+]1cccc([O-])c1 ZINC000278256243 510986959 /nfs/dbraw/zinc/98/69/59/510986959.db2.gz NDEMKMAXKVQUTP-UHFFFAOYSA-O -1 3 362.500 2.997 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000330657659 511006492 /nfs/dbraw/zinc/00/64/92/511006492.db2.gz PZLNEWYWVMRYAD-HUUCEWRRSA-N -1 3 367.515 2.792 20 30 FFEDHM C=CCCCCCN(C)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000287796388 511057878 /nfs/dbraw/zinc/05/78/78/511057878.db2.gz WHKUPADJEXPXEN-UHFFFAOYSA-N -1 3 352.456 2.986 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(C#N)cc3)CCCCC2)no1 ZINC000298307418 511240925 /nfs/dbraw/zinc/24/09/25/511240925.db2.gz YBEWCUUGLJSROH-UHFFFAOYSA-N -1 3 360.439 2.529 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2cccc(C(=O)N3CCCCC3)c2)c1[O-] ZINC000298775867 511407072 /nfs/dbraw/zinc/40/70/72/511407072.db2.gz LAQIEFQQUVFFRB-WSDLNYQXSA-N -1 3 353.422 2.965 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000272051085 511413952 /nfs/dbraw/zinc/41/39/52/511413952.db2.gz NFGCQBHPAVJVCZ-GWCFXTLKSA-N -1 3 362.373 2.813 20 30 FFEDHM CCN(CC#N)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272734740 511506139 /nfs/dbraw/zinc/50/61/39/511506139.db2.gz HIOXZJBZUNRGKF-SFHVURJKSA-N -1 3 351.406 2.625 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccc(F)cc3)CCOCC2)c1[O-] ZINC000299153323 511533098 /nfs/dbraw/zinc/53/30/98/511533098.db2.gz GXPDUDVNSMUMHR-SSDVNMTOSA-N -1 3 358.413 2.894 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000295845319 511533184 /nfs/dbraw/zinc/53/31/84/511533184.db2.gz WREXGDLOUGNGKF-JQWIXIFHSA-N -1 3 357.357 2.938 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000296445436 511745865 /nfs/dbraw/zinc/74/58/65/511745865.db2.gz WGCFMVLVQAQUCU-UHFFFAOYSA-N -1 3 361.261 2.514 20 30 FFEDHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000310279989 511770728 /nfs/dbraw/zinc/77/07/28/511770728.db2.gz KSJJMHILSQLRME-CZUORRHYSA-N -1 3 361.492 2.561 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000316124170 511802764 /nfs/dbraw/zinc/80/27/64/511802764.db2.gz RMHBBPQEAJEEGC-SECBINFHSA-N -1 3 368.680 2.708 20 30 FFEDHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000325735585 511850832 /nfs/dbraw/zinc/85/08/32/511850832.db2.gz QAOUZZBTAMJULG-UHFFFAOYSA-N -1 3 364.810 2.728 20 30 FFEDHM C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000281582487 511898754 /nfs/dbraw/zinc/89/87/54/511898754.db2.gz YIYZIRIWJMUOSX-AWEZNQCLSA-N -1 3 368.437 2.821 20 30 FFEDHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000328662053 511910630 /nfs/dbraw/zinc/91/06/30/511910630.db2.gz XANBVWOSZBKFLO-LLVKDONJSA-N -1 3 361.421 2.950 20 30 FFEDHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000328662053 511910637 /nfs/dbraw/zinc/91/06/37/511910637.db2.gz XANBVWOSZBKFLO-LLVKDONJSA-N -1 3 361.421 2.950 20 30 FFEDHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000328662053 511910641 /nfs/dbraw/zinc/91/06/41/511910641.db2.gz XANBVWOSZBKFLO-LLVKDONJSA-N -1 3 361.421 2.950 20 30 FFEDHM C[C@H](C(=O)Nc1cccc2ccccc21)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328902390 511948109 /nfs/dbraw/zinc/94/81/09/511948109.db2.gz GOFDFGVTJNHDAL-MLGOLLRUSA-N -1 3 352.394 2.893 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000285127095 512010148 /nfs/dbraw/zinc/01/01/48/512010148.db2.gz PRPJIMUSSDJOFH-LLVKDONJSA-N -1 3 367.265 2.512 20 30 FFEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)s1 ZINC000329255144 512015374 /nfs/dbraw/zinc/01/53/74/512015374.db2.gz DGQDSICDBPMHAY-UHFFFAOYSA-N -1 3 369.472 2.541 20 30 FFEDHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(=O)N1CCC(F)(F)C1 ZINC000411355177 512594605 /nfs/dbraw/zinc/59/46/05/512594605.db2.gz PFNXBCKEWJJCPZ-JTQLQIEISA-N -1 3 372.240 2.552 20 30 FFEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000391565712 512916587 /nfs/dbraw/zinc/91/65/87/512916587.db2.gz XMZBEHBOYXWREK-GWCFXTLKSA-N -1 3 358.485 2.654 20 30 FFEDHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000391826033 512918818 /nfs/dbraw/zinc/91/88/18/512918818.db2.gz ZYIVECANFYQMSE-UHFFFAOYSA-N -1 3 364.810 2.728 20 30 FFEDHM Cc1nn(C)cc1[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000368396167 512929207 /nfs/dbraw/zinc/92/92/07/512929207.db2.gz AAEFHQTXYLHUIX-GOSISDBHSA-N -1 3 367.453 2.614 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c(F)cc1Br ZINC000425191160 513445113 /nfs/dbraw/zinc/44/51/13/513445113.db2.gz UZXMWFNZDWSOEO-VHSXEESVSA-N -1 3 361.236 2.867 20 30 FFEDHM CC(C)(C)C1CCC(O)(C[N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435447445 513593332 /nfs/dbraw/zinc/59/33/32/513593332.db2.gz PASXFIOXHCFZKD-UHFFFAOYSA-N -1 3 356.513 2.865 20 30 FFEDHM C=CCCC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000447869328 513607025 /nfs/dbraw/zinc/60/70/25/513607025.db2.gz QZULUAIOFPTZOD-UHFFFAOYSA-N -1 3 364.261 2.711 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CO)CC1CCCCC1 ZINC000416333397 513716789 /nfs/dbraw/zinc/71/67/89/513716789.db2.gz OKVFDICJROYMDL-INIZCTEOSA-N -1 3 359.470 2.656 20 30 FFEDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416408507 513755779 /nfs/dbraw/zinc/75/57/79/513755779.db2.gz QLPFKXGNINDAED-STQMWFEESA-N -1 3 373.272 2.557 20 30 FFEDHM CC[C@]1(C[N-]S(=O)(=O)CC(C)(C)CC#N)OCCc2ccccc21 ZINC000451571664 513840510 /nfs/dbraw/zinc/84/05/10/513840510.db2.gz WLPRVTKVRRFABB-GOSISDBHSA-N -1 3 350.484 2.724 20 30 FFEDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000443008780 513840547 /nfs/dbraw/zinc/84/05/47/513840547.db2.gz HKUQNSPKORFQFT-UHFFFAOYSA-N -1 3 359.451 2.919 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCn1cnc2ccccc21 ZINC000443030869 513848023 /nfs/dbraw/zinc/84/80/23/513848023.db2.gz ZBWWRFWSLXUQMB-UHFFFAOYSA-N -1 3 360.826 2.540 20 30 FFEDHM CN1CCc2nc([N-]C(=O)c3cc(-c4cccc(C#N)c4)no3)sc2C1 ZINC000436434204 513854383 /nfs/dbraw/zinc/85/43/83/513854383.db2.gz WIEBDWDUDLPSCE-UHFFFAOYSA-N -1 3 365.418 2.910 20 30 FFEDHM N#Cc1ccccc1N1CCCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000448705475 513855365 /nfs/dbraw/zinc/85/53/65/513855365.db2.gz UCYJYDDERVOCIS-UHFFFAOYSA-N -1 3 353.397 2.684 20 30 FFEDHM CC1(C)Cc2ccc(C(=O)NCCOc3ccc(C#N)cc3)c([O-])c2O1 ZINC000436582413 513907148 /nfs/dbraw/zinc/90/71/48/513907148.db2.gz HYPZLBGPBWRPJL-UHFFFAOYSA-N -1 3 352.390 2.786 20 30 FFEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436626276 513922642 /nfs/dbraw/zinc/92/26/42/513922642.db2.gz QZAXDMHRUCMDNV-UHFFFAOYSA-N -1 3 373.416 2.706 20 30 FFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C12CCCC2 ZINC000443334340 513938976 /nfs/dbraw/zinc/93/89/76/513938976.db2.gz LXFDQLYETIRKOV-CVEARBPZSA-N -1 3 352.431 2.713 20 30 FFEDHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443350385 513946078 /nfs/dbraw/zinc/94/60/78/513946078.db2.gz IRQLTFKVVCXVCF-SNVBAGLBSA-N -1 3 358.847 2.610 20 30 FFEDHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443370393 513952417 /nfs/dbraw/zinc/95/24/17/513952417.db2.gz BSAIVONBFKLORP-LLVKDONJSA-N -1 3 350.827 2.827 20 30 FFEDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443389056 513956916 /nfs/dbraw/zinc/95/69/16/513956916.db2.gz QWWJBNYGUFWCAM-NSHDSACASA-N -1 3 350.827 2.827 20 30 FFEDHM CCc1ccc([C@@H](C#N)NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436730808 513958920 /nfs/dbraw/zinc/95/89/20/513958920.db2.gz IMOIWKAXWOCULP-GOSISDBHSA-N -1 3 365.433 2.764 20 30 FFEDHM COc1cccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1[O-] ZINC000436739643 513962653 /nfs/dbraw/zinc/96/26/53/513962653.db2.gz WVLBZYVFMOGOBP-UHFFFAOYSA-N -1 3 368.780 2.786 20 30 FFEDHM C=CCCS(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436997762 514069689 /nfs/dbraw/zinc/06/96/89/514069689.db2.gz AFGTVXHZQBJFAG-UHFFFAOYSA-N -1 3 352.456 2.773 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000436997762 514069695 /nfs/dbraw/zinc/06/96/95/514069695.db2.gz AFGTVXHZQBJFAG-UHFFFAOYSA-N -1 3 352.456 2.773 20 30 FFEDHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000444113690 514126010 /nfs/dbraw/zinc/12/60/10/514126010.db2.gz SXQAADGOYMCCDR-ZDUSSCGKSA-N -1 3 373.500 2.633 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1F ZINC000427346682 514189946 /nfs/dbraw/zinc/18/99/46/514189946.db2.gz KKHBDKIGHNFVCV-UHFFFAOYSA-N -1 3 363.345 2.522 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCSc1ccc(F)cc1 ZINC000428223012 514426780 /nfs/dbraw/zinc/42/67/80/514426780.db2.gz AQZKBDDUWMWYJA-UHFFFAOYSA-N -1 3 351.428 2.553 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000428237704 514428404 /nfs/dbraw/zinc/42/84/04/514428404.db2.gz BSCLWMPWXPQYRL-WCQYABFASA-N -1 3 367.352 2.806 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000452775398 514491738 /nfs/dbraw/zinc/49/17/38/514491738.db2.gz OEHVVGHJAGABMB-UHFFFAOYSA-N -1 3 367.405 2.935 20 30 FFEDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1)OC ZINC000421149041 514504933 /nfs/dbraw/zinc/50/49/33/514504933.db2.gz FKENODJQYYYRRG-GFCCVEGCSA-N -1 3 366.361 2.666 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508066904 514652788 /nfs/dbraw/zinc/65/27/88/514652788.db2.gz GGYPOQNVWFIOFE-GFCCVEGCSA-N -1 3 370.780 2.956 20 30 FFEDHM COC(=O)C1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCCCC1 ZINC000475541419 514708907 /nfs/dbraw/zinc/70/89/07/514708907.db2.gz FCJWQNOHHBBJBQ-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM COC(=O)C1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCC(C)CC1 ZINC000475551417 514711975 /nfs/dbraw/zinc/71/19/75/514711975.db2.gz WQSSACLAPWNOSW-UHFFFAOYSA-N -1 3 370.858 2.612 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000489660732 514929496 /nfs/dbraw/zinc/92/94/96/514929496.db2.gz ORVXYLFMHMGEIU-CYBMUJFWSA-N -1 3 374.388 2.799 20 30 FFEDHM C=CCC1(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000458596510 514938961 /nfs/dbraw/zinc/93/89/61/514938961.db2.gz YLXUNXXYQJMVPR-UHFFFAOYSA-N -1 3 371.528 2.605 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Oc1ccccc1F ZINC000476309586 514994372 /nfs/dbraw/zinc/99/43/72/514994372.db2.gz UBCOJSUUULGQEA-CQSZACIVSA-N -1 3 354.447 2.986 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)nc1 ZINC000471798900 515013942 /nfs/dbraw/zinc/01/39/42/515013942.db2.gz MAKWZXVBGWXWKC-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM Cc1c(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cccc1[N+](=O)[O-] ZINC000480875794 515121514 /nfs/dbraw/zinc/12/15/14/515121514.db2.gz MUDFYIBEZAFDRG-UHFFFAOYSA-N -1 3 365.798 2.907 20 30 FFEDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000503819252 515145127 /nfs/dbraw/zinc/14/51/27/515145127.db2.gz ALSOPKPXBBARAF-MRXNPFEDSA-N -1 3 364.854 2.786 20 30 FFEDHM N#CCCCn1cc(C(=O)N2CCc3c(=O)[n-]cnc3C2)c2ccccc21 ZINC000504149665 515231610 /nfs/dbraw/zinc/23/16/10/515231610.db2.gz ROPRDANRNKXHGY-UHFFFAOYSA-N -1 3 361.405 2.639 20 30 FFEDHM C=CCOc1cccc(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000481339845 515296382 /nfs/dbraw/zinc/29/63/82/515296382.db2.gz NLMWRZVXTLPCCV-HXUWFJFHSA-N -1 3 365.389 2.558 20 30 FFEDHM CC(C)([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000463419824 515486502 /nfs/dbraw/zinc/48/65/02/515486502.db2.gz ZSNJBGHYSXHOJJ-UHFFFAOYSA-N -1 3 353.391 2.620 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1cc(C)cc(C)c1 ZINC000468813097 515532111 /nfs/dbraw/zinc/53/21/11/515532111.db2.gz DNXXNMRNYCUQDI-SFHVURJKSA-N -1 3 372.446 2.676 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C#N ZINC000505608146 515606928 /nfs/dbraw/zinc/60/69/28/515606928.db2.gz JLCBEOHTWGKRGW-LRDDRELGSA-N -1 3 370.478 2.802 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cnn(C)c1)CC(C)C ZINC000457355155 515823365 /nfs/dbraw/zinc/82/33/65/515823365.db2.gz PNHNSZJGXOGXFA-UHFFFAOYSA-N -1 3 369.469 2.627 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1cc(C(F)(F)F)ccn1 ZINC000464475263 515839397 /nfs/dbraw/zinc/83/93/97/515839397.db2.gz MUUHAMJBLGOOTL-LLVKDONJSA-N -1 3 361.279 2.921 20 30 FFEDHM COc1ccc(Cn2cc(C([O-])=C(C#N)c3ccccn3)cn2)cc1OC ZINC000494856163 515986055 /nfs/dbraw/zinc/98/60/55/515986055.db2.gz JKQWBWITFBNMKO-MRXNPFEDSA-N -1 3 362.389 2.834 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474372976 516016600 /nfs/dbraw/zinc/01/66/00/516016600.db2.gz GSRGIIRVHVMHJP-LBPRGKRZSA-N -1 3 363.266 2.594 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1CCOc1ccc(F)cc1 ZINC000501323691 516063318 /nfs/dbraw/zinc/06/33/18/516063318.db2.gz JILZOMUWAAUJAB-INIZCTEOSA-N -1 3 365.368 2.690 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1F ZINC000470255442 516187066 /nfs/dbraw/zinc/18/70/66/516187066.db2.gz CQOLDQOVTZSIQL-UHFFFAOYSA-N -1 3 357.370 2.592 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2nc[nH]n2)ccc1F ZINC000470265128 516188755 /nfs/dbraw/zinc/18/87/55/516188755.db2.gz XRWXZYVQXMVPQJ-UHFFFAOYSA-N -1 3 357.370 2.592 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(=O)c2ccccc21 ZINC000522862687 516335504 /nfs/dbraw/zinc/33/55/04/516335504.db2.gz DWDMYEQIDRATTJ-ZDUSSCGKSA-N -1 3 357.373 2.783 20 30 FFEDHM COc1ccc([O-])c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 ZINC000539889853 516340914 /nfs/dbraw/zinc/34/09/14/516340914.db2.gz SPFJTKJDRGROSO-UHFFFAOYSA-N -1 3 354.362 2.732 20 30 FFEDHM Cc1cccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)c1F ZINC000543676265 516360297 /nfs/dbraw/zinc/36/02/97/516360297.db2.gz WXDDUFJIEWQBMU-UHFFFAOYSA-N -1 3 370.409 2.874 20 30 FFEDHM C=C1CCN(C(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CC1 ZINC000531328987 516410134 /nfs/dbraw/zinc/41/01/34/516410134.db2.gz CQSFCYCSAPRUMS-UHFFFAOYSA-N -1 3 357.435 2.822 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cnc(C(C)C)nc1 ZINC000554616646 516546232 /nfs/dbraw/zinc/54/62/32/516546232.db2.gz FZXWWXBMICZIIE-UHFFFAOYSA-N -1 3 367.453 2.780 20 30 FFEDHM N#Cc1c(NC(=O)Cc2ccc(Br)cc2[O-])n[nH]c1C1CC1 ZINC000518243990 516587136 /nfs/dbraw/zinc/58/71/36/516587136.db2.gz JZFFWMYVAIENBH-UHFFFAOYSA-N -1 3 361.199 2.808 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000536004995 516588881 /nfs/dbraw/zinc/58/88/81/516588881.db2.gz XEPBBWOMGNCGOZ-UHFFFAOYSA-N -1 3 369.464 2.559 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000561538215 516639129 /nfs/dbraw/zinc/63/91/29/516639129.db2.gz JTDCGTUGWVUMPR-UHFFFAOYSA-N -1 3 355.257 2.789 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)s1 ZINC000561557512 516650536 /nfs/dbraw/zinc/65/05/36/516650536.db2.gz FMLJLYKDZSDFLR-CYBMUJFWSA-N -1 3 356.856 2.675 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000524284981 516686182 /nfs/dbraw/zinc/68/61/82/516686182.db2.gz KMTPEDFJQGHECM-ZDUSSCGKSA-N -1 3 355.442 2.863 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C)c(C)c1 ZINC000561722023 516733129 /nfs/dbraw/zinc/73/31/29/516733129.db2.gz HZNZPUCYNCBEGS-SFHVURJKSA-N -1 3 372.446 2.509 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1F ZINC000541308973 516979934 /nfs/dbraw/zinc/97/99/34/516979934.db2.gz QIBOGKJPKFNJBO-UHFFFAOYSA-N -1 3 358.316 2.636 20 30 FFEDHM Cc1cc(C#N)ccc1-c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000544990447 517012751 /nfs/dbraw/zinc/01/27/51/517012751.db2.gz YZLRGXIEKIINCM-UHFFFAOYSA-N -1 3 354.391 2.955 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(C)cn1 ZINC000555780617 517119125 /nfs/dbraw/zinc/11/91/25/517119125.db2.gz YLTVMHDVTCNDGY-UHFFFAOYSA-N -1 3 366.240 2.555 20 30 FFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cn(CC4(C)COC4)nn3)sc2C1 ZINC000545337972 517183827 /nfs/dbraw/zinc/18/38/27/517183827.db2.gz LLPKMQJCACKTEL-NSHDSACASA-N -1 3 371.466 2.625 20 30 FFEDHM N#Cc1ccc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)s1 ZINC000520205894 517299588 /nfs/dbraw/zinc/29/95/88/517299588.db2.gz RKVPWXYRFKJBMP-UHFFFAOYSA-N -1 3 351.428 2.812 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnc(C)c1Br ZINC000527112306 517508668 /nfs/dbraw/zinc/50/86/68/517508668.db2.gz GTFIMNTTYAIWFB-UHFFFAOYSA-N -1 3 366.240 2.555 20 30 FFEDHM C=CCc1ccc(OC[C@@H](O)COc2ccc3c([O-])coc3c2)c(OC)c1 ZINC000549784091 517707177 /nfs/dbraw/zinc/70/71/77/517707177.db2.gz VJMHBYOYOXHWKL-HNNXBMFYSA-N -1 3 370.401 2.818 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CO)C1CCCCC1 ZINC000549910468 517773896 /nfs/dbraw/zinc/77/38/96/517773896.db2.gz HINPZLZAFNHPSH-CYBMUJFWSA-N -1 3 356.875 2.679 20 30 FFEDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000543167403 517943058 /nfs/dbraw/zinc/94/30/58/517943058.db2.gz QUVDMFVMIGLQBM-GFCCVEGCSA-N -1 3 368.842 2.731 20 30 FFEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000567601711 518608057 /nfs/dbraw/zinc/60/80/57/518608057.db2.gz OYBFJKJOKLLYSJ-KBAYOESNSA-N -1 3 350.484 2.636 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)nc1 ZINC000570490172 518632598 /nfs/dbraw/zinc/63/25/98/518632598.db2.gz AVCWBBIXYSAPJI-UHFFFAOYSA-N -1 3 362.355 3.000 20 30 FFEDHM N#Cc1cccc(CCNC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000573703961 518796211 /nfs/dbraw/zinc/79/62/11/518796211.db2.gz QSSOOJRWXGBZBC-UHFFFAOYSA-N -1 3 359.223 2.928 20 30 FFEDHM CN(C)C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000573853518 518866254 /nfs/dbraw/zinc/86/62/54/518866254.db2.gz JWXDOSNQWGTFNM-MRXNPFEDSA-N -1 3 357.841 2.992 20 30 FFEDHM O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)NCCCF ZINC000577349056 519034957 /nfs/dbraw/zinc/03/49/57/519034957.db2.gz NWNWYVQJNSZZLG-JTQLQIEISA-N -1 3 374.256 2.901 20 30 FFEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589591216 519036132 /nfs/dbraw/zinc/03/61/32/519036132.db2.gz XKEKHKNSOMPSKY-UHFFFAOYSA-N -1 3 359.451 2.624 20 30 FFEDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1)OC ZINC000591490302 519931065 /nfs/dbraw/zinc/93/10/65/519931065.db2.gz DXVLJSQPMWAOSG-OAHLLOKOSA-N -1 3 361.423 2.912 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 ZINC000594475679 519986310 /nfs/dbraw/zinc/98/63/10/519986310.db2.gz XJULWALULYFVKM-GDBMZVCRSA-N -1 3 354.859 2.838 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)C(=O)[N-]c2scc(C3CC3)c2C(=O)OC)C1 ZINC000600004004 519996365 /nfs/dbraw/zinc/99/63/65/519996365.db2.gz JWBIBNOWVWICRJ-NSHDSACASA-N -1 3 362.451 2.775 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(C#N)cc1F ZINC000608798223 520131743 /nfs/dbraw/zinc/13/17/43/520131743.db2.gz KGLQORDYPWBXLK-UHFFFAOYSA-N -1 3 352.369 2.882 20 30 FFEDHM CC[C@@](C)([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(=O)OC ZINC000594751755 520133823 /nfs/dbraw/zinc/13/38/23/520133823.db2.gz DHJLUPORFMWHQI-MRXNPFEDSA-N -1 3 366.464 2.701 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594771585 520148122 /nfs/dbraw/zinc/14/81/22/520148122.db2.gz HUPWQHFSWBNCEL-UHFFFAOYSA-N -1 3 351.653 2.931 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1(CO)CC=CC1 ZINC000592103278 520184478 /nfs/dbraw/zinc/18/44/78/520184478.db2.gz YZUOJKLXTSHQKP-INIZCTEOSA-N -1 3 368.886 2.843 20 30 FFEDHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000600653754 520376905 /nfs/dbraw/zinc/37/69/05/520376905.db2.gz NLUJUNABTDYVMM-SFHVURJKSA-N -1 3 362.426 2.891 20 30 FFEDHM N#C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000595291507 520390058 /nfs/dbraw/zinc/39/00/58/520390058.db2.gz ZNTGBXYWSCDVAH-INIZCTEOSA-N -1 3 361.492 2.756 20 30 FFEDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000595356356 520426314 /nfs/dbraw/zinc/42/63/14/520426314.db2.gz YNYXLLHMXOLKTJ-ZWKOTPCHSA-N -1 3 362.426 2.734 20 30 FFEDHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610083331 520534103 /nfs/dbraw/zinc/53/41/03/520534103.db2.gz WVBTXGSHDBJDLK-WMLDXEAASA-N -1 3 373.453 2.811 20 30 FFEDHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000610366654 520652339 /nfs/dbraw/zinc/65/23/39/520652339.db2.gz PGTXUNDINFXFSM-KBXCAEBGSA-N -1 3 363.417 2.746 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c(F)c1 ZINC000610591717 520755867 /nfs/dbraw/zinc/75/58/67/520755867.db2.gz QYUMKWXEWPQGLW-UHFFFAOYSA-N -1 3 362.279 2.732 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1ccc(C)c(C)c1 ZINC000601394844 520772561 /nfs/dbraw/zinc/77/25/61/520772561.db2.gz XHROPULTPKLGAQ-SFHVURJKSA-N -1 3 372.446 2.562 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc3n2CCCCC3)n1 ZINC000598670429 520778782 /nfs/dbraw/zinc/77/87/82/520778782.db2.gz ATTJKAJESGJTFD-NSHDSACASA-N -1 3 358.423 2.733 20 30 FFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)o1 ZINC000601419978 520781237 /nfs/dbraw/zinc/78/12/37/520781237.db2.gz QXOOTEHQWJFMDI-UHFFFAOYSA-N -1 3 351.403 2.733 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000610718744 520813412 /nfs/dbraw/zinc/81/34/12/520813412.db2.gz GPHGEGZADSTYJW-KRWDZBQOSA-N -1 3 359.470 2.920 20 30 FFEDHM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000610739555 520823842 /nfs/dbraw/zinc/82/38/42/520823842.db2.gz CCNBNWJPQDXMSY-ZYHUDNBSSA-N -1 3 362.373 2.670 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c1 ZINC000610785327 520841248 /nfs/dbraw/zinc/84/12/48/520841248.db2.gz JFIKWJWVERTSBX-SNVBAGLBSA-N -1 3 365.199 2.787 20 30 FFEDHM COc1ccc([C@@H](CNC(=O)c2cc([O-])cc(C#N)c2)N2CCCC2)cc1 ZINC000614293284 520895569 /nfs/dbraw/zinc/89/55/69/520895569.db2.gz GWANJNJNJFRADW-HXUWFJFHSA-N -1 3 365.433 2.839 20 30 FFEDHM CCOc1cccnc1C(=O)[N-]c1sc2c(c1C#N)CCN(C(C)=O)C2 ZINC000598888347 520902614 /nfs/dbraw/zinc/90/26/14/520902614.db2.gz KLYJKJDTLOBMJU-UHFFFAOYSA-N -1 3 370.434 2.570 20 30 FFEDHM CCc1noc(C)c1C(=O)[N-]c1sc2c(c1C#N)CCN(C(C)=O)C2 ZINC000598888235 520903119 /nfs/dbraw/zinc/90/31/19/520903119.db2.gz IGPLTGOTDPLQGE-UHFFFAOYSA-N -1 3 358.423 2.636 20 30 FFEDHM Cc1nc(S(=O)(=O)Cc2ccnc(C#N)c2)[n-]c1Cc1ccccc1 ZINC000610953796 520918203 /nfs/dbraw/zinc/91/82/03/520918203.db2.gz CIGBLVSQDIRYHC-UHFFFAOYSA-N -1 3 352.419 2.550 20 30 FFEDHM Cc1[n-]c(S(=O)(=O)Cc2ccnc(C#N)c2)nc1Cc1ccccc1 ZINC000610953796 520918211 /nfs/dbraw/zinc/91/82/11/520918211.db2.gz CIGBLVSQDIRYHC-UHFFFAOYSA-N -1 3 352.419 2.550 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F ZINC000611019457 520949407 /nfs/dbraw/zinc/94/94/07/520949407.db2.gz CRQOYTRLWCWFQP-CQSZACIVSA-N -1 3 372.780 2.502 20 30 FFEDHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000611024249 520950714 /nfs/dbraw/zinc/95/07/14/520950714.db2.gz KWWQJWVQMGAHKC-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM COc1ccc(CCC[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593536338 521059237 /nfs/dbraw/zinc/05/92/37/521059237.db2.gz AJZNZOVNIFDFNZ-UHFFFAOYSA-N -1 3 366.464 2.548 20 30 FFEDHM CC[C@]1(C[N-]S(=O)(=O)c2ccsc2C#N)OCCc2ccccc21 ZINC000593595078 521097935 /nfs/dbraw/zinc/09/79/35/521097935.db2.gz BDMGWSKBQBMEDH-QGZVFWFLSA-N -1 3 362.476 2.776 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCCCC#N ZINC000599229988 521097918 /nfs/dbraw/zinc/09/79/18/521097918.db2.gz KWSAUWWCJKDODK-UHFFFAOYSA-N -1 3 352.334 2.566 20 30 FFEDHM CCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)CC(C)C ZINC000593628289 521118587 /nfs/dbraw/zinc/11/85/87/521118587.db2.gz WQUQALGNIJVMDK-LBPRGKRZSA-N -1 3 358.485 2.514 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(C2CCC2)CC1 ZINC000593645432 521127841 /nfs/dbraw/zinc/12/78/41/521127841.db2.gz JKUTVLJZEUWKEC-UHFFFAOYSA-N -1 3 355.257 2.932 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C1CC2(CCC2)C1 ZINC000593664902 521138630 /nfs/dbraw/zinc/13/86/30/521138630.db2.gz YXDMIPPSPDQJDQ-UHFFFAOYSA-N -1 3 355.257 2.932 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CCC1 ZINC000599411060 521204121 /nfs/dbraw/zinc/20/41/21/521204121.db2.gz BSOVJCYEBNQLPZ-QGZVFWFLSA-N -1 3 372.406 2.681 20 30 FFEDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c1 ZINC000611773907 521325321 /nfs/dbraw/zinc/32/53/21/521325321.db2.gz OLSOILNRMDCIRY-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc(C#N)c2)c1 ZINC000619597458 521790472 /nfs/dbraw/zinc/79/04/72/521790472.db2.gz GEZHZLPPWYSFBI-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cscc1Br ZINC000632301102 522012355 /nfs/dbraw/zinc/01/23/55/522012355.db2.gz MTPUFDVSZYNBAI-CABZTGNLSA-N -1 3 366.302 2.770 20 30 FFEDHM C=CCn1c([C@H]2CCCS2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634341368 523357417 /nfs/dbraw/zinc/35/74/17/523357417.db2.gz VJWDYNXHNAJHSX-MRXNPFEDSA-N -1 3 373.530 2.661 20 30 FFEDHM C=CCCOCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735416959 598834937 /nfs/dbraw/zinc/83/49/37/598834937.db2.gz VFGYNUMQXKJLCI-UHFFFAOYSA-N -1 3 369.450 2.804 20 30 FFEDHM C=C(CSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1)C(=O)OCC ZINC000735401969 598891773 /nfs/dbraw/zinc/89/17/73/598891773.db2.gz BUQQIOLQLHKZLW-UHFFFAOYSA-N -1 3 373.360 2.800 20 30 FFEDHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737471893 598919942 /nfs/dbraw/zinc/91/99/42/598919942.db2.gz VVJPHLOPVSRPGI-UHFFFAOYSA-N -1 3 373.298 2.713 20 30 FFEDHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737471893 598919943 /nfs/dbraw/zinc/91/99/43/598919943.db2.gz VVJPHLOPVSRPGI-UHFFFAOYSA-N -1 3 373.298 2.713 20 30 FFEDHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736179858 598920846 /nfs/dbraw/zinc/92/08/46/598920846.db2.gz GDURLLBHYKIVNJ-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736179858 598920847 /nfs/dbraw/zinc/92/08/47/598920847.db2.gz GDURLLBHYKIVNJ-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM CCc1nc2c(s1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000821509340 607253383 /nfs/dbraw/zinc/25/33/83/607253383.db2.gz GSEQNMLIDRCTFA-UHFFFAOYSA-N -1 3 353.455 2.716 20 30 FFEDHM CCc1nc2c(s1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000821509340 607253384 /nfs/dbraw/zinc/25/33/84/607253384.db2.gz GSEQNMLIDRCTFA-UHFFFAOYSA-N -1 3 353.455 2.716 20 30 FFEDHM COc1cc(C)c(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821708774 607253931 /nfs/dbraw/zinc/25/39/31/607253931.db2.gz ZLINSDMLJURTGY-UHFFFAOYSA-N -1 3 366.425 2.706 20 30 FFEDHM COc1cc(C)c(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821708774 607253932 /nfs/dbraw/zinc/25/39/32/607253932.db2.gz ZLINSDMLJURTGY-UHFFFAOYSA-N -1 3 366.425 2.706 20 30 FFEDHM C#CCOc1cccc([C@@H](C)OC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735381591 599027332 /nfs/dbraw/zinc/02/73/32/599027332.db2.gz WGBIGROBIHWLDN-LLVKDONJSA-N -1 3 354.391 2.858 20 30 FFEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(C#N)c1 ZINC000736193937 599063250 /nfs/dbraw/zinc/06/32/50/599063250.db2.gz VBGOMTKDCHSPGJ-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(C#N)c1 ZINC000736193937 599063253 /nfs/dbraw/zinc/06/32/53/599063253.db2.gz VBGOMTKDCHSPGJ-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM COc1ccc(CN=Nc2ccc(Cl)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737083585 599128918 /nfs/dbraw/zinc/12/89/18/599128918.db2.gz RVFSKCJURFSZLU-UHFFFAOYSA-N -1 3 373.760 2.883 20 30 FFEDHM C=CC[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409434 599147253 /nfs/dbraw/zinc/14/72/53/599147253.db2.gz FFMBYTXAIDUTTE-KRWDZBQOSA-N -1 3 363.425 2.721 20 30 FFEDHM C=CC[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409434 599147255 /nfs/dbraw/zinc/14/72/55/599147255.db2.gz FFMBYTXAIDUTTE-KRWDZBQOSA-N -1 3 363.425 2.721 20 30 FFEDHM C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCc2ccccc21 ZINC000736204778 599194015 /nfs/dbraw/zinc/19/40/15/599194015.db2.gz VATDIXILBBOTLN-FQEVSTJZSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCc2ccccc21 ZINC000736204778 599194016 /nfs/dbraw/zinc/19/40/16/599194016.db2.gz VATDIXILBBOTLN-FQEVSTJZSA-N -1 3 358.405 2.971 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735409843 599203526 /nfs/dbraw/zinc/20/35/26/599203526.db2.gz MPFKBLSJLWFVRZ-LBPRGKRZSA-N -1 3 353.382 2.733 20 30 FFEDHM C#CCN(CC#CC)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735374116 599227448 /nfs/dbraw/zinc/22/74/48/599227448.db2.gz CJPSHTUMKQADEA-UHFFFAOYSA-N -1 3 371.400 2.758 20 30 FFEDHM C#CCN(CC#CC)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735374116 599227451 /nfs/dbraw/zinc/22/74/51/599227451.db2.gz CJPSHTUMKQADEA-UHFFFAOYSA-N -1 3 371.400 2.758 20 30 FFEDHM C[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379756 599254186 /nfs/dbraw/zinc/25/41/86/599254186.db2.gz GKORWRVQXSPVRT-LBPRGKRZSA-N -1 3 363.381 2.652 20 30 FFEDHM C[C@H](NC(=O)Nc1cccc(OCC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379756 599254188 /nfs/dbraw/zinc/25/41/88/599254188.db2.gz GKORWRVQXSPVRT-LBPRGKRZSA-N -1 3 363.381 2.652 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sccc1OC ZINC000735420287 598358289 /nfs/dbraw/zinc/35/82/89/598358289.db2.gz OFPWGSPQECUCQR-UHFFFAOYSA-N -1 3 355.423 2.765 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sccc1OC ZINC000735420287 598358291 /nfs/dbraw/zinc/35/82/91/598358291.db2.gz OFPWGSPQECUCQR-UHFFFAOYSA-N -1 3 355.423 2.765 20 30 FFEDHM CCc1cc(N=NCc2cccc(-c3nn[n-]n3)c2)nc(-c2ccccn2)n1 ZINC000736676858 598419657 /nfs/dbraw/zinc/41/96/57/598419657.db2.gz GMQURXWWGPMKOQ-UHFFFAOYSA-N -1 3 371.408 2.727 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402305 598454046 /nfs/dbraw/zinc/45/40/46/598454046.db2.gz QEJSKBCCUUCIFF-UHFFFAOYSA-N -1 3 364.409 2.872 20 30 FFEDHM CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501934 599311122 /nfs/dbraw/zinc/31/11/22/599311122.db2.gz INBIOXMFEYXADL-CYBMUJFWSA-N -1 3 362.393 2.559 20 30 FFEDHM CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501934 599311124 /nfs/dbraw/zinc/31/11/24/599311124.db2.gz INBIOXMFEYXADL-CYBMUJFWSA-N -1 3 362.393 2.559 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000822135493 599385002 /nfs/dbraw/zinc/38/50/02/599385002.db2.gz CCCNGSUWZGKCAD-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM COc1ccc(C)cc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737073425 599460435 /nfs/dbraw/zinc/46/04/35/599460435.db2.gz CGGCIWHPWMVNJH-AATRIKPKSA-N -1 3 360.377 2.728 20 30 FFEDHM COc1ccc(C)cc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737073425 599460437 /nfs/dbraw/zinc/46/04/37/599460437.db2.gz CGGCIWHPWMVNJH-AATRIKPKSA-N -1 3 360.377 2.728 20 30 FFEDHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820335339 599536343 /nfs/dbraw/zinc/53/63/43/599536343.db2.gz WKTOWBURLQGBKZ-LBPRGKRZSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820335339 599536347 /nfs/dbraw/zinc/53/63/47/599536347.db2.gz WKTOWBURLQGBKZ-LBPRGKRZSA-N -1 3 364.434 2.708 20 30 FFEDHM C=CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccncc1 ZINC000819734981 599674635 /nfs/dbraw/zinc/67/46/35/599674635.db2.gz YFXUMWGCJUCEFQ-INIZCTEOSA-N -1 3 367.388 2.517 20 30 FFEDHM C=CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccncc1 ZINC000819734981 599674636 /nfs/dbraw/zinc/67/46/36/599674636.db2.gz YFXUMWGCJUCEFQ-INIZCTEOSA-N -1 3 367.388 2.517 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](O)CCCCC ZINC000819743487 599698120 /nfs/dbraw/zinc/69/81/20/599698120.db2.gz KLEPXBKXFALRPP-QGZVFWFLSA-N -1 3 357.458 2.713 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](O)CCCCC ZINC000819743487 599698121 /nfs/dbraw/zinc/69/81/21/599698121.db2.gz KLEPXBKXFALRPP-QGZVFWFLSA-N -1 3 357.458 2.713 20 30 FFEDHM N#CCc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826382474 607391980 /nfs/dbraw/zinc/39/19/80/607391980.db2.gz GKAAIEISPLTVEK-UHFFFAOYSA-N -1 3 359.393 2.744 20 30 FFEDHM N#CCc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826382474 607391981 /nfs/dbraw/zinc/39/19/81/607391981.db2.gz GKAAIEISPLTVEK-UHFFFAOYSA-N -1 3 359.393 2.744 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2cc(C#N)cs2)cc1-c1nnn[n-]1 ZINC000820169098 607400383 /nfs/dbraw/zinc/40/03/83/607400383.db2.gz FHPDTRSZWRBWSA-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2cc(C#N)cs2)cc1-c1nn[n-]n1 ZINC000820169098 607400384 /nfs/dbraw/zinc/40/03/84/607400384.db2.gz FHPDTRSZWRBWSA-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(Br)nc1 ZINC000822741549 607465488 /nfs/dbraw/zinc/46/54/88/607465488.db2.gz YPEROCRVRBNSEY-UHFFFAOYSA-N -1 3 362.166 2.609 20 30 FFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(Br)nc1 ZINC000822741549 607465490 /nfs/dbraw/zinc/46/54/90/607465490.db2.gz YPEROCRVRBNSEY-UHFFFAOYSA-N -1 3 362.166 2.609 20 30 FFEDHM N#CC(C(=O)CC[C@@H]1CCCN1C(=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000833961600 605487387 /nfs/dbraw/zinc/48/73/87/605487387.db2.gz RTRJRKIIPZXGOY-UONOGXRCSA-N -1 3 363.801 2.910 20 30 FFEDHM COc1ccc([C@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000821777901 606127678 /nfs/dbraw/zinc/12/76/78/606127678.db2.gz ODHIGTDWRZZIKZ-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1ccc([C@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000821777901 606127680 /nfs/dbraw/zinc/12/76/80/606127680.db2.gz ODHIGTDWRZZIKZ-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM C#CC[C@@H](OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC000819689015 606135250 /nfs/dbraw/zinc/13/52/50/606135250.db2.gz SLGVOASEURXOET-OAHLLOKOSA-N -1 3 372.425 2.625 20 30 FFEDHM C#CC[C@@H](OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC000819689015 606135252 /nfs/dbraw/zinc/13/52/52/606135252.db2.gz SLGVOASEURXOET-OAHLLOKOSA-N -1 3 372.425 2.625 20 30 FFEDHM Cc1cc(C)c2ncc(C#N)c(NCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822196225 606221525 /nfs/dbraw/zinc/22/15/25/606221525.db2.gz AKEYDTMNDSHWBA-UHFFFAOYSA-N -1 3 355.405 2.937 20 30 FFEDHM Cc1cc(C)c2ncc(C#N)c(NCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822196225 606221526 /nfs/dbraw/zinc/22/15/26/606221526.db2.gz AKEYDTMNDSHWBA-UHFFFAOYSA-N -1 3 355.405 2.937 20 30 FFEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1 ZINC000822819571 606268803 /nfs/dbraw/zinc/26/88/03/606268803.db2.gz WQDLYQMFIPSVKJ-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819856323 606319095 /nfs/dbraw/zinc/31/90/95/606319095.db2.gz ICQQEXKLFSJDOD-JTQLQIEISA-N -1 3 353.411 2.699 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819856323 606319097 /nfs/dbraw/zinc/31/90/97/606319097.db2.gz ICQQEXKLFSJDOD-JTQLQIEISA-N -1 3 353.411 2.699 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822801825 606445289 /nfs/dbraw/zinc/44/52/89/606445289.db2.gz PDUDOTYNFAMRRH-RBUKOAKNSA-N -1 3 372.432 2.708 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822801825 606445290 /nfs/dbraw/zinc/44/52/90/606445290.db2.gz PDUDOTYNFAMRRH-RBUKOAKNSA-N -1 3 372.432 2.708 20 30 FFEDHM CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000821154644 606505459 /nfs/dbraw/zinc/50/54/59/606505459.db2.gz QSXGTBJXCTWZEV-CQSZACIVSA-N -1 3 360.421 2.891 20 30 FFEDHM CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000821154644 606505462 /nfs/dbraw/zinc/50/54/62/606505462.db2.gz QSXGTBJXCTWZEV-CQSZACIVSA-N -1 3 360.421 2.891 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823161345 606530165 /nfs/dbraw/zinc/53/01/65/606530165.db2.gz NDEZXPMMAOLOER-UHFFFAOYSA-N -1 3 371.322 2.667 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823161345 606530166 /nfs/dbraw/zinc/53/01/66/606530166.db2.gz NDEZXPMMAOLOER-UHFFFAOYSA-N -1 3 371.322 2.667 20 30 FFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000821466790 606674685 /nfs/dbraw/zinc/67/46/85/606674685.db2.gz ZPIDAXFDQHZZCQ-UHFFFAOYSA-N -1 3 360.349 2.893 20 30 FFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000821466790 606674686 /nfs/dbraw/zinc/67/46/86/606674686.db2.gz ZPIDAXFDQHZZCQ-UHFFFAOYSA-N -1 3 360.349 2.893 20 30 FFEDHM CC(C)(C)c1csc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)n1 ZINC000819965829 606703278 /nfs/dbraw/zinc/70/32/78/606703278.db2.gz OMVSNOKQQZGIFN-UHFFFAOYSA-N -1 3 372.483 2.762 20 30 FFEDHM CC(C)(C)c1csc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)n1 ZINC000819965829 606703280 /nfs/dbraw/zinc/70/32/80/606703280.db2.gz OMVSNOKQQZGIFN-UHFFFAOYSA-N -1 3 372.483 2.762 20 30 FFEDHM N#Cc1cccnc1NCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822842801 606924877 /nfs/dbraw/zinc/92/48/77/606924877.db2.gz ZLEIMWSAQPGDHT-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1cccnc1NCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822842801 606924878 /nfs/dbraw/zinc/92/48/78/606924878.db2.gz ZLEIMWSAQPGDHT-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc2c(s1)CCC2 ZINC000822935220 606977839 /nfs/dbraw/zinc/97/78/39/606977839.db2.gz HHMXQBYXEREGCA-AATRIKPKSA-N -1 3 362.418 2.961 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc2c(s1)CCC2 ZINC000822935220 606977841 /nfs/dbraw/zinc/97/78/41/606977841.db2.gz HHMXQBYXEREGCA-AATRIKPKSA-N -1 3 362.418 2.961 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C(C)=O)c1 ZINC000819745455 607010288 /nfs/dbraw/zinc/01/02/88/607010288.db2.gz DLQOYWADURRERL-UHFFFAOYSA-N -1 3 361.405 2.898 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C(C)=O)c1 ZINC000819745455 607010289 /nfs/dbraw/zinc/01/02/89/607010289.db2.gz DLQOYWADURRERL-UHFFFAOYSA-N -1 3 361.405 2.898 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)cc1C ZINC000826291542 607881876 /nfs/dbraw/zinc/88/18/76/607881876.db2.gz KRAWEJYETJLDEN-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)cc1C ZINC000826291542 607881877 /nfs/dbraw/zinc/88/18/77/607881877.db2.gz KRAWEJYETJLDEN-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM C=C(C)[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)OCC ZINC000823873188 607888048 /nfs/dbraw/zinc/88/80/48/607888048.db2.gz JTUKFCBSLFNQJS-KRWDZBQOSA-N -1 3 357.458 2.975 20 30 FFEDHM C=C(C)[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)OCC ZINC000823873188 607888049 /nfs/dbraw/zinc/88/80/49/607888049.db2.gz JTUKFCBSLFNQJS-KRWDZBQOSA-N -1 3 357.458 2.975 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826187423 607915819 /nfs/dbraw/zinc/91/58/19/607915819.db2.gz PIGMLKNTEUKDHQ-QPJJXVBHSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826187423 607915820 /nfs/dbraw/zinc/91/58/20/607915820.db2.gz PIGMLKNTEUKDHQ-QPJJXVBHSA-N -1 3 354.341 2.919 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823850530 607966906 /nfs/dbraw/zinc/96/69/06/607966906.db2.gz QQLXMORSJJFLAM-UHFFFAOYSA-N -1 3 368.397 2.718 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823850530 607966907 /nfs/dbraw/zinc/96/69/07/607966907.db2.gz QQLXMORSJJFLAM-UHFFFAOYSA-N -1 3 368.397 2.718 20 30 FFEDHM N#Cc1ccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nn1 ZINC000826385635 608296225 /nfs/dbraw/zinc/29/62/25/608296225.db2.gz VBONARXUSXGQMY-UHFFFAOYSA-N -1 3 354.377 2.807 20 30 FFEDHM N#Cc1ccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nn1 ZINC000826385635 608296227 /nfs/dbraw/zinc/29/62/27/608296227.db2.gz VBONARXUSXGQMY-UHFFFAOYSA-N -1 3 354.377 2.807 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823936954 608324810 /nfs/dbraw/zinc/32/48/10/608324810.db2.gz AUAGUBPIZWLKHG-UHFFFAOYSA-N -1 3 374.397 2.643 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823936954 608324812 /nfs/dbraw/zinc/32/48/12/608324812.db2.gz AUAGUBPIZWLKHG-UHFFFAOYSA-N -1 3 374.397 2.643 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824514570 609233475 /nfs/dbraw/zinc/23/34/75/609233475.db2.gz OPNJLRRHLXWZAY-CYBMUJFWSA-N -1 3 358.405 2.913 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824514570 609233476 /nfs/dbraw/zinc/23/34/76/609233476.db2.gz OPNJLRRHLXWZAY-CYBMUJFWSA-N -1 3 358.405 2.913 20 30 FFEDHM CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825265688 609248479 /nfs/dbraw/zinc/24/84/79/609248479.db2.gz AATISBJGPGGMKE-OAHLLOKOSA-N -1 3 362.409 2.593 20 30 FFEDHM CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825265688 609248481 /nfs/dbraw/zinc/24/84/81/609248481.db2.gz AATISBJGPGGMKE-OAHLLOKOSA-N -1 3 362.409 2.593 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1 ZINC000826178901 609271742 /nfs/dbraw/zinc/27/17/42/609271742.db2.gz QDQPWNAKRJAHGA-ZZXKWVIFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1 ZINC000826178901 609271743 /nfs/dbraw/zinc/27/17/43/609271743.db2.gz QDQPWNAKRJAHGA-ZZXKWVIFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826190639 609274187 /nfs/dbraw/zinc/27/41/87/609274187.db2.gz IBCYIYBNPZSGLH-XVNBXDOJSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826190639 609274188 /nfs/dbraw/zinc/27/41/88/609274188.db2.gz IBCYIYBNPZSGLH-XVNBXDOJSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(NN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826210201 609305923 /nfs/dbraw/zinc/30/59/23/609305923.db2.gz IXENHULFXDNXKZ-UHFFFAOYSA-N -1 3 374.408 2.722 20 30 FFEDHM COc1ccc(NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826210201 609305924 /nfs/dbraw/zinc/30/59/24/609305924.db2.gz IXENHULFXDNXKZ-UHFFFAOYSA-N -1 3 374.408 2.722 20 30 FFEDHM C[C@@H](C#N)CN(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000824034689 609366449 /nfs/dbraw/zinc/36/64/49/609366449.db2.gz MUECXINFLXWNSN-JTQLQIEISA-N -1 3 361.247 2.753 20 30 FFEDHM C[C@@H](C#N)CN(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000824034689 609366452 /nfs/dbraw/zinc/36/64/52/609366452.db2.gz MUECXINFLXWNSN-JTQLQIEISA-N -1 3 361.247 2.753 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1-c1nnn[n-]1 ZINC000826385674 609586043 /nfs/dbraw/zinc/58/60/43/609586043.db2.gz WKRRZQOIZNTYDA-MRXNPFEDSA-N -1 3 374.404 2.885 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1-c1nn[n-]n1 ZINC000826385674 609586046 /nfs/dbraw/zinc/58/60/46/609586046.db2.gz WKRRZQOIZNTYDA-MRXNPFEDSA-N -1 3 374.404 2.885 20 30 FFEDHM C#CCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000158947149 728897537 /nfs/dbraw/zinc/89/75/37/728897537.db2.gz WTMSCBQSCYRRRE-UHFFFAOYSA-N -1 3 360.435 2.691 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OC)c2)ccc1F ZINC000029057664 727890885 /nfs/dbraw/zinc/89/08/85/727890885.db2.gz NFTDKULDXWIMHE-UHFFFAOYSA-N -1 3 364.398 2.551 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC)CC2CC2)ccc1F ZINC000045357899 728001260 /nfs/dbraw/zinc/00/12/60/728001260.db2.gz WXPNSZXQSDMAMZ-UHFFFAOYSA-N -1 3 354.447 2.552 20 30 FFEDHM CC(=O)[C@H]1CC(C([O-])=C(C#N)c2nc(C)cs2)=NN1c1ccccc1 ZINC000073087286 728217421 /nfs/dbraw/zinc/21/74/21/728217421.db2.gz OADZWHXUOXIZCZ-GDBMZVCRSA-N -1 3 352.419 2.852 20 30 FFEDHM Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000126587741 728704249 /nfs/dbraw/zinc/70/42/49/728704249.db2.gz UEPLKWSGDWOBOG-LBPRGKRZSA-N -1 3 350.350 2.696 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C(C)C)CC2)ccc1F ZINC000174484621 729072810 /nfs/dbraw/zinc/07/28/10/729072810.db2.gz PYTRKEUKCAOMOH-UHFFFAOYSA-N -1 3 368.474 2.798 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC2(C#N)CCC2)ccc1F ZINC000183879415 729315463 /nfs/dbraw/zinc/31/54/63/729315463.db2.gz YAOXTFADQSSQJL-UHFFFAOYSA-N -1 3 368.430 2.753 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC=CCC2)ccc1F ZINC000302977048 729733145 /nfs/dbraw/zinc/73/31/45/729733145.db2.gz SHDHUWWXKLDASW-CYBMUJFWSA-N -1 3 353.415 2.803 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000861827762 730644636 /nfs/dbraw/zinc/64/46/36/730644636.db2.gz LTAABIMFKYASDP-NSHDSACASA-N -1 3 370.192 2.758 20 30 FFEDHM N#Cc1cc(Br)ccc1NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866290164 731046812 /nfs/dbraw/zinc/04/68/12/731046812.db2.gz RJDKXQOUPGMUGU-UHFFFAOYSA-N -1 3 361.199 2.501 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C1CCOCC1 ZINC000867529741 731196264 /nfs/dbraw/zinc/19/62/64/731196264.db2.gz NLVIDFSDTXXYMH-HNNXBMFYSA-N -1 3 362.476 2.517 20 30 FFEDHM Cc1sccc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000870689627 731545134 /nfs/dbraw/zinc/54/51/34/731545134.db2.gz SQNVSVBILHZMPW-SNVBAGLBSA-N -1 3 363.464 2.512 20 30 FFEDHM C=CCCn1cc(CN[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])nn1 ZINC000656566771 731598849 /nfs/dbraw/zinc/59/88/49/731598849.db2.gz UORGOVKNODQPSE-HNNXBMFYSA-N -1 3 369.252 2.947 20 30 FFEDHM O=C(Nc1ccc(OC(F)(F)F)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000880156123 732857235 /nfs/dbraw/zinc/85/72/35/732857235.db2.gz XJKWCDBYGDYPRN-SNVBAGLBSA-N -1 3 367.711 2.740 20 30 FFEDHM CSc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1Br ZINC000880162157 732858331 /nfs/dbraw/zinc/85/83/31/732858331.db2.gz SPBWRFTVQUTZLL-JTQLQIEISA-N -1 3 374.260 2.673 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672392632 733522865 /nfs/dbraw/zinc/52/28/65/733522865.db2.gz IAKCCPGWOMHRQS-UHFFFAOYSA-N -1 3 357.325 2.595 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000885838424 733716352 /nfs/dbraw/zinc/71/63/52/733716352.db2.gz GWTUFGLQYGKSND-UHFFFAOYSA-N -1 3 365.348 2.695 20 30 FFEDHM COC(=O)[C@@H](CC1CCOCC1)/N=C\c1cc(Br)ccc1[O-] ZINC000887268088 733902759 /nfs/dbraw/zinc/90/27/59/733902759.db2.gz BSYPDGXXHXLHDF-FNHQQPGVSA-N -1 3 370.243 2.932 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(F)cc2C#N)ccc1F ZINC000728627347 734535138 /nfs/dbraw/zinc/53/51/38/734535138.db2.gz NPTIUYWNJLFXIW-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000734366496 734891553 /nfs/dbraw/zinc/89/15/53/734891553.db2.gz UMWGALQRZAZWIS-XXZGICNZSA-N -1 3 351.447 2.556 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000739656250 735055902 /nfs/dbraw/zinc/05/59/02/735055902.db2.gz WLFPVRLMOGLJJI-NHAGDIPZSA-N -1 3 368.474 2.845 20 30 FFEDHM Cc1c(C(=O)NCc2ccc([O-])c(Br)c2)cnn1CCC#N ZINC000897031980 735192613 /nfs/dbraw/zinc/19/26/13/735192613.db2.gz NOEBDHNSCXPNJG-UHFFFAOYSA-N -1 3 363.215 2.503 20 30 FFEDHM Cc1ccc(Br)c(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1C#N ZINC000897346369 735222617 /nfs/dbraw/zinc/22/26/17/735222617.db2.gz UAYUBSDTZMUBDK-LLVKDONJSA-N -1 3 374.242 2.816 20 30 FFEDHM O=C(N([O-])Cc1ccc(F)cc1)C1(n2cc(Br)cn2)CC1 ZINC000900679422 735679277 /nfs/dbraw/zinc/67/92/77/735679277.db2.gz QOUCIGNPRQTGAW-UHFFFAOYSA-N -1 3 354.179 2.692 20 30 FFEDHM O=C(c1cn(C2CCOCC2)nn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180164 736230554 /nfs/dbraw/zinc/23/05/54/736230554.db2.gz IBLGHHHPKOKVJK-UHFFFAOYSA-N -1 3 371.224 2.968 20 30 FFEDHM CCCCN([O-])C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000904208436 736233728 /nfs/dbraw/zinc/23/37/28/736233728.db2.gz ZHWPHOXTBHJPCA-PTNGSMBKSA-N -1 3 366.483 2.717 20 30 FFEDHM CC(C)NS(=O)(=O)c1ccc(N=NCc2c([O-])cccc2Cl)nc1 ZINC000755646865 736268095 /nfs/dbraw/zinc/26/80/95/736268095.db2.gz ZBVUTRGRZATWPD-UHFFFAOYSA-N -1 3 368.846 2.573 20 30 FFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000756973852 736379085 /nfs/dbraw/zinc/37/90/85/736379085.db2.gz CUEKDOZULIDGJD-OAHLLOKOSA-N -1 3 360.391 2.646 20 30 FFEDHM N#Cc1cc([N-]C(=O)c2cnc3nccnc3c2)c(Cl)c([N+](=O)[O-])c1 ZINC000759168739 736552489 /nfs/dbraw/zinc/55/24/89/736552489.db2.gz HBKBKKLPAJRIBX-UHFFFAOYSA-N -1 3 354.713 2.710 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000909000147 736869761 /nfs/dbraw/zinc/86/97/61/736869761.db2.gz GHDNNBKCRVMVCB-BPUTZDHNSA-N -1 3 365.861 2.544 20 30 FFEDHM COc1cc(C=NNC(=S)Nc2ccc(C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000767058666 737288096 /nfs/dbraw/zinc/28/80/96/737288096.db2.gz ZUKOIOVKDPVERR-UHFFFAOYSA-N -1 3 360.395 2.938 20 30 FFEDHM CS(=O)(=O)Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000912962520 737363821 /nfs/dbraw/zinc/36/38/21/737363821.db2.gz RIMTUJMPMIFDAX-UHFFFAOYSA-N -1 3 356.787 2.579 20 30 FFEDHM N#Cc1ccnc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)c1 ZINC000768232523 737408394 /nfs/dbraw/zinc/40/83/94/737408394.db2.gz DKITVYIRHVEZDB-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM CC(C)(C)OC(=O)C1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000768361064 737416288 /nfs/dbraw/zinc/41/62/88/737416288.db2.gz QDEVADWDSNRWFH-UHFFFAOYSA-N -1 3 366.483 2.994 20 30 FFEDHM C#C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000769656077 737551056 /nfs/dbraw/zinc/55/10/56/737551056.db2.gz SWRHPJMGBXRHKU-ZDUSSCGKSA-N -1 3 360.410 2.720 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2F)ccc1F ZINC000914459665 737579760 /nfs/dbraw/zinc/57/97/60/737579760.db2.gz YUIXVRYCBICVNW-UHFFFAOYSA-N -1 3 370.352 2.821 20 30 FFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000770392981 737622124 /nfs/dbraw/zinc/62/21/24/737622124.db2.gz IPDGTSCTKKNTDU-JTQLQIEISA-N -1 3 364.236 2.677 20 30 FFEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)n[nH]1 ZINC000916940858 737733140 /nfs/dbraw/zinc/73/31/40/737733140.db2.gz ZUHWIXKAMJFKQK-GFCCVEGCSA-N -1 3 360.801 2.985 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc(Br)o1 ZINC000917509382 737761765 /nfs/dbraw/zinc/76/17/65/737761765.db2.gz QZZDZQDJICMBHO-VLWUPBBWSA-N -1 3 360.167 2.798 20 30 FFEDHM Cc1ccc([N-]N=C2C(=O)Nc3ccc(Br)c(Cl)c32)nn1 ZINC000788020321 739198060 /nfs/dbraw/zinc/19/80/60/739198060.db2.gz LKYGLYDPTMWVQH-UHFFFAOYSA-N -1 3 366.606 2.969 20 30 FFEDHM Cc1cc(-c2noc([C@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n2)ccc1F ZINC000790038801 739410359 /nfs/dbraw/zinc/41/03/59/739410359.db2.gz DJMIELRNXHJZLZ-NSHDSACASA-N -1 3 366.418 2.714 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)[C@H]2C2CC2)ccc1F ZINC000793410742 739778547 /nfs/dbraw/zinc/77/85/47/739778547.db2.gz HSEZCPRXWVXYAS-MRXNPFEDSA-N -1 3 366.458 2.551 20 30 FFEDHM C[C@H](CC(=O)O[C@@H]1CCCC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000799493578 740423010 /nfs/dbraw/zinc/42/30/10/740423010.db2.gz HRXJBYTYAWGMJE-IUODEOHRSA-N -1 3 364.467 2.626 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)(C)C ZINC000808481882 741228971 /nfs/dbraw/zinc/22/89/71/741228971.db2.gz FWZWSTWHXFPVFF-OAHLLOKOSA-N -1 3 367.471 2.626 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000811043223 741475147 /nfs/dbraw/zinc/47/51/47/741475147.db2.gz YAUPNMBJRXNPRU-QMTHXVAHSA-N -1 3 365.817 2.534 20 30 FFEDHM C[C@](C#N)(NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1)C1CC1 ZINC000811394600 741515125 /nfs/dbraw/zinc/51/51/25/741515125.db2.gz GMUXRYQZJIEVPH-OAHLLOKOSA-N -1 3 351.815 2.848 20 30 FFEDHM COC(=O)CN(Cc1nc(C#N)cs1)Cc1cc(Cl)ccc1[O-] ZINC000811463472 741525908 /nfs/dbraw/zinc/52/59/08/741525908.db2.gz XGESORGKFGYBQH-UHFFFAOYSA-N -1 3 351.815 2.549 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000815149301 741907465 /nfs/dbraw/zinc/90/74/65/741907465.db2.gz IGMOLYNNVCOLGS-NSHDSACASA-N -1 3 362.170 2.991 20 30 FFEDHM CCn1nncc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000815909287 741972487 /nfs/dbraw/zinc/97/24/87/741972487.db2.gz WTUWTUMUVHLEJZ-SECBINFHSA-N -1 3 352.181 2.566 20 30 FFEDHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757081 742059277 /nfs/dbraw/zinc/05/92/77/742059277.db2.gz LJUCXRROELHRCW-SECBINFHSA-N -1 3 373.356 2.734 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(S(=O)(=O)C(F)F)c2)nc(C)n1 ZINC000817714120 742200807 /nfs/dbraw/zinc/20/08/07/742200807.db2.gz KKUQOPJPBHYBLP-ZDUSSCGKSA-N -1 3 365.361 2.580 20 30 FFEDHM COc1cccc(S([O-])=CC(=O)OC[C@@H](C#N)Cc2ccccc2)c1 ZINC000820213293 742476101 /nfs/dbraw/zinc/47/61/01/742476101.db2.gz MJMWHQBNORPPTG-PUAOIOHZSA-N -1 3 357.431 2.728 20 30 FFEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C1CCOCC1 ZINC000825666308 743308254 /nfs/dbraw/zinc/30/82/54/743308254.db2.gz KCJXRQXGRNXWTM-AWEZNQCLSA-N -1 3 357.784 2.985 20 30 FFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826355775 743382738 /nfs/dbraw/zinc/38/27/38/743382738.db2.gz MYMPNWMJGFTFDO-SNAWJCMRSA-N -1 3 367.171 2.942 20 30 FFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826355775 743382747 /nfs/dbraw/zinc/38/27/47/743382747.db2.gz MYMPNWMJGFTFDO-SNAWJCMRSA-N -1 3 367.171 2.942 20 30 FFEDHM C=CCC[C@@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000831129778 745487052 /nfs/dbraw/zinc/48/70/52/745487052.db2.gz IKQAKRIIJITHRR-OAHLLOKOSA-N -1 3 354.372 2.873 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn2c1OCCC2 ZINC000835062254 745941955 /nfs/dbraw/zinc/94/19/55/745941955.db2.gz ZGBVJFJADOZZFY-CYBMUJFWSA-N -1 3 358.785 2.589 20 30 FFEDHM C=CCC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000837025250 746351911 /nfs/dbraw/zinc/35/19/11/746351911.db2.gz GGOOVIUJWSSHIG-CYBMUJFWSA-N -1 3 356.325 2.701 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]C1(C(=O)OCc2ccccc2)CCC1 ZINC000841546945 747392370 /nfs/dbraw/zinc/39/23/70/747392370.db2.gz FIQMBHNVEPLHDN-UHFFFAOYSA-N -1 3 364.467 2.512 20 30 FFEDHM Cc1nc(SC2CCCC2)sc1CC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848131393 748850431 /nfs/dbraw/zinc/85/04/31/748850431.db2.gz FEZWEMUEJSMBIU-GFCCVEGCSA-N -1 3 369.512 2.525 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OCc1ccccc1 ZINC000848464556 748933939 /nfs/dbraw/zinc/93/39/39/748933939.db2.gz CATIYQVWSUTMCD-OAHLLOKOSA-N -1 3 364.467 2.512 20 30 FFEDHM C[C@H]1CCN(CCc2ccc(C#N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000852049797 749762137 /nfs/dbraw/zinc/76/21/37/749762137.db2.gz GDKUNNGIQDYDFO-XEZPLFJOSA-N -1 3 353.388 2.878 20 30 FFEDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736772537 944889222 /nfs/dbraw/zinc/88/92/22/944889222.db2.gz FGPJCZAKXBWFCW-FUHWJXTLSA-N -1 3 373.420 2.547 20 30 FFEDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736772537 944889234 /nfs/dbraw/zinc/88/92/34/944889234.db2.gz FGPJCZAKXBWFCW-FUHWJXTLSA-N -1 3 373.420 2.547 20 30 FFEDHM N#CCn1c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc2ccccc21 ZINC000822815687 946194962 /nfs/dbraw/zinc/19/49/62/946194962.db2.gz XGUVQYQSTSTHDF-UHFFFAOYSA-N -1 3 361.340 2.736 20 30 FFEDHM N#CCn1c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc2ccccc21 ZINC000822815687 946194971 /nfs/dbraw/zinc/19/49/71/946194971.db2.gz XGUVQYQSTSTHDF-UHFFFAOYSA-N -1 3 361.340 2.736 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823894114 946504520 /nfs/dbraw/zinc/50/45/20/946504520.db2.gz HURGRXSYFNAYTF-YOEHRIQHSA-N -1 3 370.457 2.694 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823894114 946504528 /nfs/dbraw/zinc/50/45/28/946504528.db2.gz HURGRXSYFNAYTF-YOEHRIQHSA-N -1 3 370.457 2.694 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)CC(C)C)C1 ZINC001573297681 947064992 /nfs/dbraw/zinc/06/49/92/947064992.db2.gz JOPVPVBJIPYOLH-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)CC(C)C)C1 ZINC001573297681 947065000 /nfs/dbraw/zinc/06/50/00/947065000.db2.gz JOPVPVBJIPYOLH-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573300421 947111575 /nfs/dbraw/zinc/11/15/75/947111575.db2.gz JTLCRYXYHCWVCJ-UONOGXRCSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573300421 947111579 /nfs/dbraw/zinc/11/15/79/947111579.db2.gz JTLCRYXYHCWVCJ-UONOGXRCSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573304658 947141773 /nfs/dbraw/zinc/14/17/73/947141773.db2.gz DUAWEYOPYBDMKO-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573304658 947141780 /nfs/dbraw/zinc/14/17/80/947141780.db2.gz DUAWEYOPYBDMKO-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573306431 947172819 /nfs/dbraw/zinc/17/28/19/947172819.db2.gz KMYRNJPTNNADQB-KUHUBIRLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573306431 947172825 /nfs/dbraw/zinc/17/28/25/947172825.db2.gz KMYRNJPTNNADQB-KUHUBIRLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573306823 947176990 /nfs/dbraw/zinc/17/69/90/947176990.db2.gz NJSPKAOEOYOTDQ-BDJLRTHQSA-N -1 3 363.491 2.541 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573319770 947335548 /nfs/dbraw/zinc/33/55/48/947335548.db2.gz QQFQBAIPHWWYBB-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573319770 947335562 /nfs/dbraw/zinc/33/55/62/947335562.db2.gz QQFQBAIPHWWYBB-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N)c1ccccc1 ZINC001573319931 947337032 /nfs/dbraw/zinc/33/70/32/947337032.db2.gz WVBULKLJZDDOML-NSHDSACASA-N -1 3 352.373 2.886 20 30 FFEDHM C=C[C@@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001573319931 947337044 /nfs/dbraw/zinc/33/70/44/947337044.db2.gz WVBULKLJZDDOML-NSHDSACASA-N -1 3 352.373 2.886 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2ccc(C)cc2-c2nnn[n-]2)CCCCC1 ZINC001573329619 947423179 /nfs/dbraw/zinc/42/31/79/947423179.db2.gz MAMKLYZZZBPQJP-UHFFFAOYSA-N -1 3 361.471 2.732 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2ccc(C)cc2-c2nn[n-]n2)CCCCC1 ZINC001573329619 947423184 /nfs/dbraw/zinc/42/31/84/947423184.db2.gz MAMKLYZZZBPQJP-UHFFFAOYSA-N -1 3 361.471 2.732 20 30 FFEDHM C=CCc1ccc(OC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)c(OC)c1 ZINC001573349167 947592299 /nfs/dbraw/zinc/59/22/99/947592299.db2.gz ZPWSKWABORSJSQ-UHFFFAOYSA-N -1 3 351.366 2.526 20 30 FFEDHM C=CCc1ccc(OC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)c(OC)c1 ZINC001573349167 947592306 /nfs/dbraw/zinc/59/23/06/947592306.db2.gz ZPWSKWABORSJSQ-UHFFFAOYSA-N -1 3 351.366 2.526 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(F)c(-c4nnn[n-]4)c3)cc21 ZINC001573351197 947610310 /nfs/dbraw/zinc/61/03/10/947610310.db2.gz NZRFZPRXTUMMQC-UHFFFAOYSA-N -1 3 363.356 2.794 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(F)c(-c4nn[n-]n4)c3)cc21 ZINC001573351197 947610316 /nfs/dbraw/zinc/61/03/16/947610316.db2.gz NZRFZPRXTUMMQC-UHFFFAOYSA-N -1 3 363.356 2.794 20 30 FFEDHM N#Cc1c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)nc2ccccn12 ZINC000826383654 948183988 /nfs/dbraw/zinc/18/39/88/948183988.db2.gz KRIQJYHFVQTLFN-UHFFFAOYSA-N -1 3 368.404 2.680 20 30 FFEDHM N#Cc1c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)nc2ccccn12 ZINC000826383654 948183997 /nfs/dbraw/zinc/18/39/97/948183997.db2.gz KRIQJYHFVQTLFN-UHFFFAOYSA-N -1 3 368.404 2.680 20 30 FFEDHM C[C@@H](NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001575249448 949099604 /nfs/dbraw/zinc/09/96/04/949099604.db2.gz BXIMOBYJQRZUAS-LLVKDONJSA-N -1 3 368.347 2.708 20 30 FFEDHM C[C@@H](NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001575249448 949099619 /nfs/dbraw/zinc/09/96/19/949099619.db2.gz BXIMOBYJQRZUAS-LLVKDONJSA-N -1 3 368.347 2.708 20 30 FFEDHM C[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001575251439 949141103 /nfs/dbraw/zinc/14/11/03/949141103.db2.gz NGLOYRBIIIQXHR-LLVKDONJSA-N -1 3 368.347 2.708 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(OC(C)C)c1 ZINC000759835522 971786686 /nfs/dbraw/zinc/78/66/86/971786686.db2.gz RWRPGQBSNGXVLH-AWEZNQCLSA-N -1 3 353.378 2.839 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC/C=C\c2ccccc2)ccc1F ZINC000299737132 972111709 /nfs/dbraw/zinc/11/17/09/972111709.db2.gz BGWBCBHIYZLCJN-TWGQIWQCSA-N -1 3 374.437 2.733 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000007674084 1013197257 /nfs/dbraw/zinc/19/72/57/1013197257.db2.gz XJVPFVFRQWPTQZ-ZDUSSCGKSA-N -1 3 370.380 2.750 20 30 FFEDHM Cc1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000007674059 1013197306 /nfs/dbraw/zinc/19/73/06/1013197306.db2.gz RSYLMJGJWRMBPA-UHFFFAOYSA-N -1 3 366.417 2.839 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOc1ccc(F)cc1 ZINC000017223514 964185219 /nfs/dbraw/zinc/18/52/19/964185219.db2.gz YLPBDNSIPAINKF-UHFFFAOYSA-N -1 3 358.369 2.557 20 30 FFEDHM C=CCN1CCC(NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC1 ZINC000874436547 1013836271 /nfs/dbraw/zinc/83/62/71/1013836271.db2.gz KLXQZDSGIGCNKY-UHFFFAOYSA-N -1 3 354.406 2.845 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3ccccc3)nn2)cc1 ZINC000105262839 975790566 /nfs/dbraw/zinc/79/05/66/975790566.db2.gz XKGALDKDRQGEDK-SFHVURJKSA-N -1 3 373.416 2.850 20 30 FFEDHM C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000980945902 976150147 /nfs/dbraw/zinc/15/01/47/976150147.db2.gz ILBQVXPHPFTURE-JKSUJKDBSA-N -1 3 367.449 2.708 20 30 FFEDHM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c1 ZINC000760197350 980200828 /nfs/dbraw/zinc/20/08/28/980200828.db2.gz JILYUDMJYTWXIY-QGZVFWFLSA-N -1 3 365.389 2.836 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908809226 981541827 /nfs/dbraw/zinc/54/18/27/981541827.db2.gz RQDMLGDLBQNVMH-KRWDZBQOSA-N -1 3 359.470 2.542 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908808843 981541873 /nfs/dbraw/zinc/54/18/73/981541873.db2.gz FFTIKSZWHSUJQS-RTBURBONSA-N -1 3 373.497 2.932 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC000911856080 983912912 /nfs/dbraw/zinc/91/29/12/983912912.db2.gz TYHTZCSKRJOGKL-ZQMJAJRESA-N -1 3 369.421 2.718 20 30 FFEDHM C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)cc1 ZINC000995796227 984129176 /nfs/dbraw/zinc/12/91/76/984129176.db2.gz WCDISEUBLZFNES-NEWSRXKRSA-N -1 3 360.413 2.549 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1F ZINC000045263460 984416625 /nfs/dbraw/zinc/41/66/25/984416625.db2.gz CIUOFTZIXLJHOL-UHFFFAOYSA-N -1 3 374.437 2.883 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1nc(C)cc(C)n1 ZINC000764567577 984563911 /nfs/dbraw/zinc/56/39/11/984563911.db2.gz RJQSJVXURVUJOB-INIZCTEOSA-N -1 3 374.404 2.549 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174535364 985218089 /nfs/dbraw/zinc/21/80/89/985218089.db2.gz CPJMIUHEINGFDX-KRWDZBQOSA-N -1 3 371.481 2.746 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000131660726 986494606 /nfs/dbraw/zinc/49/46/06/986494606.db2.gz FZJBXOYBCQOCMB-OAHLLOKOSA-N -1 3 353.334 2.873 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922286090 988326164 /nfs/dbraw/zinc/32/61/64/988326164.db2.gz UCLIPXFVEDPSQV-FZMZJTMJSA-N -1 3 372.343 2.861 20 30 FFEDHM COc1ccc([C@]2(C)NC(=O)N(N=Cc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000916330657 989778769 /nfs/dbraw/zinc/77/87/69/989778769.db2.gz MCZJPJAPDHOJIP-SFHVURJKSA-N -1 3 373.796 2.855 20 30 FFEDHM CN(C)C(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001598143573 990604535 /nfs/dbraw/zinc/60/45/35/990604535.db2.gz BDLWPPPXJOXERN-KRWDZBQOSA-N -1 3 352.394 2.567 20 30 FFEDHM C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001079433259 992113608 /nfs/dbraw/zinc/11/36/08/992113608.db2.gz QWSQTRSGEKOMRS-FZKQIMNGSA-N -1 3 353.397 2.653 20 30 FFEDHM C=CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001008786326 1015713055 /nfs/dbraw/zinc/71/30/55/1015713055.db2.gz ADPMDYLMFUPIAB-CHWSQXEVSA-N -1 3 370.371 2.724 20 30 FFEDHM C[C@](NCc1ccc(OCC#N)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298859 994717923 /nfs/dbraw/zinc/71/79/23/994717923.db2.gz OAYHZJJZLYOIEL-GOSISDBHSA-N -1 3 355.350 2.587 20 30 FFEDHM C[C@@](NCc1ccc(OCC#N)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593298860 994718563 /nfs/dbraw/zinc/71/85/63/994718563.db2.gz OAYHZJJZLYOIEL-SFHVURJKSA-N -1 3 355.350 2.587 20 30 FFEDHM C#Cc1ccccc1CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000810179758 994723907 /nfs/dbraw/zinc/72/39/07/994723907.db2.gz XXJPROFCOKJGNC-UHFFFAOYSA-N -1 3 372.446 2.619 20 30 FFEDHM CCN(CCC#N)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001166592859 996149277 /nfs/dbraw/zinc/14/92/77/996149277.db2.gz DWKBOKYHPAREHM-UHFFFAOYSA-N -1 3 366.393 2.901 20 30 FFEDHM COC([O-])=NC(=S)N(c1ccc(OCC#N)cc1)c1ccccc1N ZINC001212613310 998002769 /nfs/dbraw/zinc/00/27/69/998002769.db2.gz NLQFPBJPMNVWQU-UHFFFAOYSA-N -1 3 356.407 2.950 20 30 FFEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cn1 ZINC000845442348 998539639 /nfs/dbraw/zinc/53/96/39/998539639.db2.gz LTFIFCBPNFMOIT-OAHLLOKOSA-N -1 3 365.389 2.998 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cncc([O-])c2)cc1C ZINC000732393584 998651374 /nfs/dbraw/zinc/65/13/74/998651374.db2.gz ARNATLYNDZRJFA-UHFFFAOYSA-N -1 3 353.378 2.508 20 30 FFEDHM C[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)n1nnnc1C(C)(C)C ZINC000845847277 998679552 /nfs/dbraw/zinc/67/95/52/998679552.db2.gz ZUINOAQUVBBPAT-ZFWWWQNUSA-N -1 3 365.437 2.541 20 30 FFEDHM N#C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCN1C1CC1 ZINC000732679321 998741872 /nfs/dbraw/zinc/74/18/72/998741872.db2.gz XYGVFEXPVDFIFQ-IBGZPJMESA-N -1 3 361.445 2.795 20 30 FFEDHM Cc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000742464956 999774899 /nfs/dbraw/zinc/77/48/99/999774899.db2.gz VHZDUCNLWHQHMO-CQSZACIVSA-N -1 3 371.462 2.759 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)ccc1C#N ZINC000766549397 1000010422 /nfs/dbraw/zinc/01/04/22/1000010422.db2.gz UYKYUPABRKISTF-HNNXBMFYSA-N -1 3 371.462 2.893 20 30 FFEDHM COC(=O)c1coc([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000766999192 1000096671 /nfs/dbraw/zinc/09/66/71/1000096671.db2.gz ZWYDHRPVHQXYPI-LBPRGKRZSA-N -1 3 372.377 2.892 20 30 FFEDHM CN(C)c1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1F ZINC000769807487 1000607892 /nfs/dbraw/zinc/60/78/92/1000607892.db2.gz NCSCYTXTTYJMSQ-UHFFFAOYSA-N -1 3 371.420 2.938 20 30 FFEDHM C=CCN1C[C@@]2(CCN(Cc3c(Cl)cc([O-])cc3Cl)C2)OCC1=O ZINC001276164662 1016435556 /nfs/dbraw/zinc/43/55/56/1016435556.db2.gz FRKZTVVPCNQTKH-KRWDZBQOSA-N -1 3 371.264 2.688 20 30 FFEDHM C=CCCC1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CCCC1 ZINC001147171879 1000840880 /nfs/dbraw/zinc/84/08/80/1000840880.db2.gz ABLQSUMXWGIILW-UHFFFAOYSA-N -1 3 368.474 2.990 20 30 FFEDHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3C#N)CC2)c([O-])c1 ZINC001148507671 1001163604 /nfs/dbraw/zinc/16/36/04/1001163604.db2.gz RVGAKCWHLFQBBS-UHFFFAOYSA-N -1 3 363.417 2.607 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148669099 1001194886 /nfs/dbraw/zinc/19/48/86/1001194886.db2.gz QFNAMPZURADBOF-SFHVURJKSA-N -1 3 367.401 2.665 20 30 FFEDHM N#Cc1ccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787845773 1001723394 /nfs/dbraw/zinc/72/33/94/1001723394.db2.gz SCXZYXYERHVHQF-UHFFFAOYSA-N -1 3 356.353 2.908 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787848041 1001723481 /nfs/dbraw/zinc/72/34/81/1001723481.db2.gz KHIWAPBYBDHENM-BFUOFWGJSA-N -1 3 364.417 2.840 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)ccc1[O-] ZINC001182682284 1001998232 /nfs/dbraw/zinc/99/82/32/1001998232.db2.gz OKCDPBNGYBGMLJ-INIZCTEOSA-N -1 3 353.353 2.646 20 30 FFEDHM CCOC(=O)[C@H](CC)[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000789466278 1002090454 /nfs/dbraw/zinc/09/04/54/1002090454.db2.gz QCVALCWYKIKLKQ-UONOGXRCSA-N -1 3 362.426 2.729 20 30 FFEDHM CCOC(=O)[C@@H](CC)[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000789466277 1002090737 /nfs/dbraw/zinc/09/07/37/1002090737.db2.gz QCVALCWYKIKLKQ-KGLIPLIRSA-N -1 3 362.426 2.729 20 30 FFEDHM C[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000790076932 1002266255 /nfs/dbraw/zinc/26/62/55/1002266255.db2.gz QSLMJFNXCAOFCH-VIFPVBQESA-N -1 3 369.768 2.667 20 30 FFEDHM C[C@H](OC(=O)c1cccc2[n-]nnc21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000790076932 1002266262 /nfs/dbraw/zinc/26/62/62/1002266262.db2.gz QSLMJFNXCAOFCH-VIFPVBQESA-N -1 3 369.768 2.667 20 30 FFEDHM C[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000790076932 1002266268 /nfs/dbraw/zinc/26/62/68/1002266268.db2.gz QSLMJFNXCAOFCH-VIFPVBQESA-N -1 3 369.768 2.667 20 30 FFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1F ZINC001185998730 1003166287 /nfs/dbraw/zinc/16/62/87/1003166287.db2.gz FMNZUWULJKPKAK-UHFFFAOYSA-N -1 3 352.297 2.653 20 30 FFEDHM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000804486840 1003679716 /nfs/dbraw/zinc/67/97/16/1003679716.db2.gz RSVIFWNWQCTNNR-QRWLVFNGSA-N -1 3 367.449 2.755 20 30 FFEDHM CC(C)Oc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196707619 1003921569 /nfs/dbraw/zinc/92/15/69/1003921569.db2.gz SVJDIOMGTIYFBO-UHFFFAOYSA-N -1 3 365.842 2.872 20 30 FFEDHM N#Cc1cc(F)c(C(=O)[N-]c2ncnc3c2ncn3[C@H]2CCCO2)c(F)c1 ZINC001191906519 1003982333 /nfs/dbraw/zinc/98/23/33/1003982333.db2.gz AEINNSORPAKNHE-GFCCVEGCSA-N -1 3 370.319 2.537 20 30 FFEDHM COc1cc(COC(=O)c2cnn[n-]2)ccc1OCc1cccc(C#N)c1 ZINC000805608401 1004060697 /nfs/dbraw/zinc/06/06/97/1004060697.db2.gz CXFGPFCIVAGSFH-UHFFFAOYSA-N -1 3 364.361 2.621 20 30 FFEDHM COc1cc(COC(=O)c2c[n-]nn2)ccc1OCc1cccc(C#N)c1 ZINC000805608401 1004060708 /nfs/dbraw/zinc/06/07/08/1004060708.db2.gz CXFGPFCIVAGSFH-UHFFFAOYSA-N -1 3 364.361 2.621 20 30 FFEDHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(C#N)ccc3F)c2)o1 ZINC001192264951 1004109552 /nfs/dbraw/zinc/10/95/52/1004109552.db2.gz LENUJZXLKVKHSS-UHFFFAOYSA-N -1 3 358.354 2.857 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)C(=O)OC ZINC001197774596 1004358120 /nfs/dbraw/zinc/35/81/20/1004358120.db2.gz ZMIBOCRUVPWLDR-CQSZACIVSA-N -1 3 366.266 2.921 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1c(-c2ccc(Br)cc2)cnn1C ZINC001193110803 1004377206 /nfs/dbraw/zinc/37/72/06/1004377206.db2.gz BYTDIJCLNFBTGN-SECBINFHSA-N -1 3 369.244 2.503 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001193150447 1004391173 /nfs/dbraw/zinc/39/11/73/1004391173.db2.gz YAEIFPBYYUCPMN-PBHICJAKSA-N -1 3 355.463 2.918 20 30 FFEDHM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1c(C)cc(O)cc1[O-])CC2 ZINC001193920877 1004615670 /nfs/dbraw/zinc/61/56/70/1004615670.db2.gz KPQBAOVBZANUNC-FQEVSTJZSA-N -1 3 358.438 2.580 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc(-c2csc(N)n2)c1 ZINC001194721273 1004803403 /nfs/dbraw/zinc/80/34/03/1004803403.db2.gz KTBJKYONZXJWNV-UHFFFAOYSA-N -1 3 353.407 2.831 20 30 FFEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194758429 1004813125 /nfs/dbraw/zinc/81/31/25/1004813125.db2.gz ZUNVLUSNFFJDIO-UHFFFAOYSA-N -1 3 350.516 2.564 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC001195304614 1004937443 /nfs/dbraw/zinc/93/74/43/1004937443.db2.gz XKPNBQXZZVSXFH-JTQLQIEISA-N -1 3 368.846 2.920 20 30 FFEDHM N#Cc1ccc(CC2CCN(S(=O)(=O)c3ccc([O-])cc3)CC2)cc1 ZINC001195784768 1005042584 /nfs/dbraw/zinc/04/25/84/1005042584.db2.gz VELCUGPXQUUKFP-UHFFFAOYSA-N -1 3 356.447 2.907 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2Br)o1 ZINC001201789830 1005273786 /nfs/dbraw/zinc/27/37/86/1005273786.db2.gz HTNSIPSSMMBNOW-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(COC[C@H]3CCCO3)c2)c1[O-] ZINC000852998489 1006270355 /nfs/dbraw/zinc/27/03/55/1006270355.db2.gz MTMKNIDSFLWNQV-VCYKRWNGSA-N -1 3 370.449 2.903 20 30 FFEDHM CCCCCCCCS(=O)(=O)Nc1ncc(Br)[n-]c1=O ZINC001188029285 1006387184 /nfs/dbraw/zinc/38/71/84/1006387184.db2.gz NWYHHSANQRKUEQ-UHFFFAOYSA-N -1 3 366.281 2.635 20 30 FFEDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@@H](CC#N)C2)c1 ZINC000853526525 1006429272 /nfs/dbraw/zinc/42/92/72/1006429272.db2.gz RZCNFJPCURDWKW-KRWDZBQOSA-N -1 3 371.481 2.553 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001188884378 1006765360 /nfs/dbraw/zinc/76/53/60/1006765360.db2.gz HPUOEXXIIALKCZ-QILLFSRXSA-N -1 3 370.497 2.695 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000816754079 1007191241 /nfs/dbraw/zinc/19/12/41/1007191241.db2.gz WFBJJABKMMGTED-OAHLLOKOSA-N -1 3 364.323 2.881 20 30 FFEDHM C=C[C@H]1C[C@@]1(NC(=O)c1cccc(OC(F)(F)F)c1[O-])C(=O)OCC ZINC001189766536 1007263946 /nfs/dbraw/zinc/26/39/46/1007263946.db2.gz WIDAXEPBFQYWON-VFZGTOFNSA-N -1 3 359.300 2.528 20 30 FFEDHM CCCn1ccc(C(=O)Nc2c(C)c([O-])c(C(=O)OCC)cc2C#N)n1 ZINC001189823527 1007293659 /nfs/dbraw/zinc/29/36/59/1007293659.db2.gz NNGGNNWJTPCQIX-UHFFFAOYSA-N -1 3 356.382 2.608 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(Br)nc1Cl ZINC001190060041 1007442190 /nfs/dbraw/zinc/44/21/90/1007442190.db2.gz DLBIWYVPNKWWTM-UHFFFAOYSA-N -1 3 369.606 2.937 20 30 FFEDHM COc1nc(S(=O)(=O)[N-][C@@H](c2cccc(C#N)c2)C(C)C)ccc1F ZINC001190121287 1007481254 /nfs/dbraw/zinc/48/12/54/1007481254.db2.gz RHZYWTWWOMMHGJ-MRXNPFEDSA-N -1 3 363.414 2.777 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(CC)C2CC2)ccc1F ZINC000855881304 1007619268 /nfs/dbraw/zinc/61/92/68/1007619268.db2.gz YIJOUMCNCFERFS-QGZVFWFLSA-N -1 3 354.447 2.599 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)c1ccccc1 ZINC001190536046 1007685066 /nfs/dbraw/zinc/68/50/66/1007685066.db2.gz VAMQGPXIJMZYDN-AWEZNQCLSA-N -1 3 364.810 2.670 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c[nH]c(C(F)(F)F)cc2=O)c1 ZINC001190617813 1007705490 /nfs/dbraw/zinc/70/54/90/1007705490.db2.gz QWOUAKMJZPXQMC-UHFFFAOYSA-N -1 3 361.276 2.618 20 30 FFEDHM Cn1cc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2F)c2ccccc21 ZINC001190665282 1007723751 /nfs/dbraw/zinc/72/37/51/1007723751.db2.gz MANKVINYRDPRER-UHFFFAOYSA-N -1 3 357.410 2.710 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2COc3cc(Cl)ccc32)c1 ZINC001190676563 1007745048 /nfs/dbraw/zinc/74/50/48/1007745048.db2.gz HDUFCZPMXSILKR-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccnn2)c1 ZINC001190681364 1007746055 /nfs/dbraw/zinc/74/60/55/1007746055.db2.gz JGUMXXVPXOWAOG-SFHVURJKSA-N -1 3 368.393 2.555 20 30 FFEDHM CC(C)n1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1=O ZINC001191000579 1007866714 /nfs/dbraw/zinc/86/67/14/1007866714.db2.gz IPOPPUNFTGOMHF-UHFFFAOYSA-N -1 3 351.815 2.755 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000820476200 1008339082 /nfs/dbraw/zinc/33/90/82/1008339082.db2.gz JOBAUFHFKYLWOG-OAHLLOKOSA-N -1 3 362.332 2.867 20 30 FFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000820482001 1008339841 /nfs/dbraw/zinc/33/98/41/1008339841.db2.gz CAQAQRKMWWMNOK-KDOFPFPSSA-N -1 3 355.438 2.824 20 30 FFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000820482768 1008340442 /nfs/dbraw/zinc/34/04/42/1008340442.db2.gz RFUYYWGUXDWLAK-GOSISDBHSA-N -1 3 355.438 2.821 20 30 FFEDHM N#C[C@@H](Cc1cccs1)C(=O)Nc1ncc([O-])cc1Br ZINC001177902860 1008776642 /nfs/dbraw/zinc/77/66/42/1008776642.db2.gz BKQCZZYKYZPKQG-MRVPVSSYSA-N -1 3 352.213 2.932 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CCC(C)(C)CO1 ZINC000887424276 1009209436 /nfs/dbraw/zinc/20/94/36/1009209436.db2.gz SKYMDPXAWCRQOD-OAHLLOKOSA-N -1 3 359.470 2.920 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)n(C)n2)cc1 ZINC000773974522 1010367865 /nfs/dbraw/zinc/36/78/65/1010367865.db2.gz CPLLFUWRTFWWDR-IUODEOHRSA-N -1 3 354.410 2.903 20 30 FFEDHM C#C[C@@H](CC)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868538302 1011357366 /nfs/dbraw/zinc/35/73/66/1011357366.db2.gz RUSRGIAEROARKH-OLZOCXBDSA-N -1 3 367.371 2.780 20 30 FFEDHM CN1CCN(c2ccccc2-c2noc(-c3ccc([O-])c(C#N)c3)n2)CC1 ZINC001216969403 1032575601 /nfs/dbraw/zinc/57/56/01/1032575601.db2.gz DIXOEISULPGZNC-UHFFFAOYSA-N -1 3 361.405 2.733 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@@H](C)CC2 ZINC000870139717 1012186427 /nfs/dbraw/zinc/18/64/27/1012186427.db2.gz CIYGNSFQJUNRQL-KBPBESRZSA-N -1 3 366.421 2.825 20 30 FFEDHM C=CCCOCC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314051 1012848573 /nfs/dbraw/zinc/84/85/73/1012848573.db2.gz DWXWGGFFVBZUER-ZDUSSCGKSA-N -1 3 370.371 2.778 20 30 FFEDHM Cc1nc(N2C[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@]3(C)C2)ccc1C#N ZINC001052185293 1017334958 /nfs/dbraw/zinc/33/49/58/1017334958.db2.gz FESCWSFPOUDYDJ-IERDGZPVSA-N -1 3 362.433 2.566 20 30 FFEDHM O=C1C=COC2(CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)C1 ZINC000933649297 1021058074 /nfs/dbraw/zinc/05/80/74/1021058074.db2.gz CRSREMABJMYIHP-UHFFFAOYSA-N -1 3 365.389 2.919 20 30 FFEDHM CCn1c2ccccc2nc1[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001117687139 1021818513 /nfs/dbraw/zinc/81/85/13/1021818513.db2.gz LCJZYNJWTJMPAW-LBPRGKRZSA-N -1 3 354.435 2.856 20 30 FFEDHM N#Cc1cnc(N2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)c(Cl)c1 ZINC001040518724 1022882333 /nfs/dbraw/zinc/88/23/33/1022882333.db2.gz MDPACMWQCONCSD-XJKSGUPXSA-N -1 3 368.824 2.663 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1ccccc1O ZINC001122489930 1023300824 /nfs/dbraw/zinc/30/08/24/1023300824.db2.gz BUSLWLHENIUHMU-UHFFFAOYSA-N -1 3 359.821 2.635 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1ccccc1O ZINC001122489930 1023300835 /nfs/dbraw/zinc/30/08/35/1023300835.db2.gz BUSLWLHENIUHMU-UHFFFAOYSA-N -1 3 359.821 2.635 20 30 FFEDHM COCc1ccsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000779196612 1023346107 /nfs/dbraw/zinc/34/61/07/1023346107.db2.gz DQSWMMFZDRBBOA-ZDUSSCGKSA-N -1 3 374.418 2.873 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3snc(Cl)c3C#N)C2)n1 ZINC001120958388 1023543756 /nfs/dbraw/zinc/54/37/56/1023543756.db2.gz QPEIIGGVEZDJFL-SECBINFHSA-N -1 3 350.835 2.553 20 30 FFEDHM CCOCCOc1cc(C)ccc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000755031119 1023557436 /nfs/dbraw/zinc/55/74/36/1023557436.db2.gz HLTDJSUHTDIENN-CIAFOILYSA-N -1 3 358.438 2.931 20 30 FFEDHM COc1ccc(C2N=NC(=S)N2N=Cc2ccc([O-])c(F)c2)c(OC)c1 ZINC000755598959 1023613345 /nfs/dbraw/zinc/61/33/45/1023613345.db2.gz MKAMGMSEFNOKGC-UHFFFAOYSA-N -1 3 374.397 2.978 20 30 FFEDHM CCOC(=O)Nc1ccc(NC(=O)C=Cc2cncc([O-])c2)cc1C#N ZINC000779677373 1024415149 /nfs/dbraw/zinc/41/51/49/1024415149.db2.gz RHYLIDFSOXLNIQ-ZZXKWVIFSA-N -1 3 352.350 2.879 20 30 FFEDHM C#C[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Br)cc1 ZINC001141460623 1026348245 /nfs/dbraw/zinc/34/82/45/1026348245.db2.gz BNHDJDMHMQMTIQ-OAHLLOKOSA-N -1 3 374.238 2.595 20 30 FFEDHM CC[C@@](C/N=C\c1c([O-])c(C)ncc1CO)(C(=O)OC)c1ccccc1 ZINC000840711687 1027224794 /nfs/dbraw/zinc/22/47/94/1027224794.db2.gz BOAWJSOYEATQCN-KMRXCDNJSA-N -1 3 356.422 2.528 20 30 FFEDHM COc1cccc(-c2nc3ccccc3c(N[C@@H]3C(=O)N([O-])C[C@@H]3C)n2)c1 ZINC001160179391 1027626294 /nfs/dbraw/zinc/62/62/94/1027626294.db2.gz ZUTWVOIZKYACBB-SJCJKPOMSA-N -1 3 364.405 2.953 20 30 FFEDHM CC(=O)c1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1[O-] ZINC001154062051 1028130160 /nfs/dbraw/zinc/13/01/60/1028130160.db2.gz JESHRYPGMSVKBR-UHFFFAOYSA-N -1 3 374.400 2.797 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1c[nH]c2cc(Br)cnc12 ZINC001154106947 1028147394 /nfs/dbraw/zinc/14/73/94/1028147394.db2.gz OBPSOKMAHLFKPB-UHFFFAOYSA-N -1 3 374.198 2.765 20 30 FFEDHM Cn1c(CNC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)ccc1C(F)(F)F ZINC001154557834 1028355275 /nfs/dbraw/zinc/35/52/75/1028355275.db2.gz RWDZJTHDSMVBCV-UHFFFAOYSA-N -1 3 374.322 2.687 20 30 FFEDHM C=CCN(C(=O)c1cccc(O)c1[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC000781159405 1029032660 /nfs/dbraw/zinc/03/26/60/1029032660.db2.gz VDSUOLFNRMEWQX-KRWDZBQOSA-N -1 3 369.417 2.900 20 30 FFEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N(CCC#N)Cc1cccnc1 ZINC001164010416 1029143670 /nfs/dbraw/zinc/14/36/70/1029143670.db2.gz VDZODGVWLZDFLE-UHFFFAOYSA-N -1 3 370.800 2.713 20 30 FFEDHM N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2nc1NCCCc1c[n-][nH]c1=O ZINC001164373737 1029261182 /nfs/dbraw/zinc/26/11/82/1029261182.db2.gz BPPWKULKOHCMMC-SECBINFHSA-N -1 3 372.772 2.592 20 30 FFEDHM Cc1nc(F)ccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000782152395 1029590813 /nfs/dbraw/zinc/59/08/13/1029590813.db2.gz OQSNLDLILCZXHS-AWEZNQCLSA-N -1 3 371.397 2.804 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782368557 1029674481 /nfs/dbraw/zinc/67/44/81/1029674481.db2.gz HTSOFLQHJPHMNP-GFCCVEGCSA-N -1 3 365.345 2.825 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC3(C[C@@H]3CCO)CC2)n1 ZINC001165256489 1029915565 /nfs/dbraw/zinc/91/55/65/1029915565.db2.gz CQBQRVVZJJSKKI-VJCPFXPRSA-N -1 3 356.879 2.649 20 30 FFEDHM N#Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)ccc1[O-] ZINC001142382405 1030378569 /nfs/dbraw/zinc/37/85/69/1030378569.db2.gz YZZQQSGVIXXLKD-UHFFFAOYSA-N -1 3 352.375 2.643 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C3CCC3)nn2)cc1Cl ZINC000842689588 1030901439 /nfs/dbraw/zinc/90/14/39/1030901439.db2.gz AOEOCDBEKAZMLK-LBPRGKRZSA-N -1 3 373.800 2.626 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2CC)cc1 ZINC000797548797 1031150357 /nfs/dbraw/zinc/15/03/57/1031150357.db2.gz OYTJAXKZSJJCAQ-HNNXBMFYSA-N -1 3 354.362 2.980 20 30 FFEDHM Cn1nncc1C([O-])=C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000798815830 1031554396 /nfs/dbraw/zinc/55/43/96/1031554396.db2.gz DGPRILFBGHGLLZ-AWEZNQCLSA-N -1 3 361.361 2.569 20 30 FFEDHM N#CCn1c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc2ccccc21 ZINC001149790144 1031594782 /nfs/dbraw/zinc/59/47/82/1031594782.db2.gz SAOGSYDCEUKAAK-UHFFFAOYSA-N -1 3 361.405 2.858 20 30 FFEDHM N#Cc1cc(NC(=O)c2cn3ccc(Br)cc3n2)ccc1[O-] ZINC001149964044 1031629594 /nfs/dbraw/zinc/62/95/94/1031629594.db2.gz NEDMSKIKJSIIEG-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM Cc1csc(CCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC001115949464 1032032629 /nfs/dbraw/zinc/03/26/29/1032032629.db2.gz KBVFXSVNNZCKQN-UHFFFAOYSA-N -1 3 358.467 2.722 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)[n-]1 ZINC001225466909 1034264658 /nfs/dbraw/zinc/26/46/58/1034264658.db2.gz IDQWYPYQZWYFMC-JSGCOSHPSA-N -1 3 351.378 2.694 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226117424 1034532585 /nfs/dbraw/zinc/53/25/85/1034532585.db2.gz MUFVKLJVTCLFDR-WCQYABFASA-N -1 3 362.455 2.781 20 30 FFEDHM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3[n-]c(=O)nnc3C)[C@@H]12 ZINC001226465557 1034695805 /nfs/dbraw/zinc/69/58/05/1034695805.db2.gz YFDPVWKWYRCYLM-XMDUPGNXSA-N -1 3 357.410 2.641 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001221762192 1035046591 /nfs/dbraw/zinc/04/65/91/1035046591.db2.gz SOMAANUKLVQTSG-QGPMSJSTSA-N -1 3 370.497 2.695 20 30 FFEDHM CN1[C@@H]2C[C@@H](Oc3cc(C(=O)c4ccccc4)ccc3[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001228156107 1035964076 /nfs/dbraw/zinc/96/40/76/1035964076.db2.gz XXFHVWDNYGZSHQ-LARQBXAMSA-N -1 3 351.402 2.614 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)c(Cl)n3)nc21 ZINC001536405189 1069972392 /nfs/dbraw/zinc/97/23/92/1069972392.db2.gz BPLOMXGWCUPKSP-UHFFFAOYSA-N -1 3 355.741 2.522 20 30 FFEDHM C#CC1CCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])CC1 ZINC001233309211 1036514717 /nfs/dbraw/zinc/51/47/17/1036514717.db2.gz XOGPPLVYYRHWDA-UHFFFAOYSA-N -1 3 352.228 2.787 20 30 FFEDHM CCn1c2ccccc2nc1N1CCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233387850 1036590386 /nfs/dbraw/zinc/59/03/86/1036590386.db2.gz BAUWYCZCUVTUFT-UHFFFAOYSA-N -1 3 361.449 2.956 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1OC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233801126 1036768566 /nfs/dbraw/zinc/76/85/66/1036768566.db2.gz WDKDGUFIMASVSD-LEBHLANCSA-N -1 3 366.414 2.518 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1OC1CCN(c2ncccc2C#N)CC1 ZINC001233803483 1036769585 /nfs/dbraw/zinc/76/95/85/1036769585.db2.gz QARIZOUTGWDJNZ-LPYMAVHISA-N -1 3 352.394 2.818 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001233799128 1036770471 /nfs/dbraw/zinc/77/04/71/1036770471.db2.gz GCVZGLCMYBAFED-MDBUFAAASA-N -1 3 364.398 2.808 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN2Cc2ccc(OC)c(Cl)c2[O-])C1=O ZINC001277833191 1036930558 /nfs/dbraw/zinc/93/05/58/1036930558.db2.gz CGRVUEBCZVJZLO-SFHVURJKSA-N -1 3 350.846 2.807 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229955390 1036999541 /nfs/dbraw/zinc/99/95/41/1036999541.db2.gz VJGBLZWJYPONEQ-HNNXBMFYSA-N -1 3 357.414 2.811 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229955390 1036999555 /nfs/dbraw/zinc/99/95/55/1036999555.db2.gz VJGBLZWJYPONEQ-HNNXBMFYSA-N -1 3 357.414 2.811 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234510638 1037068042 /nfs/dbraw/zinc/06/80/42/1037068042.db2.gz CUMSUMKGPQWCNF-JOCQHMNTSA-N -1 3 370.409 2.984 20 30 FFEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(C(=O)[O-])cc1O)CCO2 ZINC001231451518 1037593181 /nfs/dbraw/zinc/59/31/81/1037593181.db2.gz NIKGGAPBXKJCBE-FXAWDEMLSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1ccc(OC)c(C(=O)[O-])c1)CC2 ZINC001231749828 1037875184 /nfs/dbraw/zinc/87/51/84/1037875184.db2.gz SOLBXGVRAGODFU-UHFFFAOYSA-N -1 3 374.437 2.614 20 30 FFEDHM COC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258278959 1039293109 /nfs/dbraw/zinc/29/31/09/1039293109.db2.gz OVZKIWZLHDEGFO-UHFFFAOYSA-N -1 3 364.810 2.728 20 30 FFEDHM COc1cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)ccc1C#N ZINC001258972728 1039629925 /nfs/dbraw/zinc/62/99/25/1039629925.db2.gz JTVJIKWFRXFJGJ-UGSOOPFHSA-N -1 3 362.451 2.704 20 30 FFEDHM COc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1C#N ZINC001259369459 1039946445 /nfs/dbraw/zinc/94/64/45/1039946445.db2.gz DCURFHNXFKQOMC-UHFFFAOYSA-N -1 3 354.391 2.553 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3ccnc3)cc2)ccc1F ZINC001259417282 1039987505 /nfs/dbraw/zinc/98/75/05/1039987505.db2.gz NZGBZIFLSRUHMP-UHFFFAOYSA-N -1 3 356.382 2.743 20 30 FFEDHM CCOC(Cc1c(Nc2cc(C#N)cc([N+](=O)[O-])c2)nc[n-]c1=O)OCC ZINC001211326630 1040082770 /nfs/dbraw/zinc/08/27/70/1040082770.db2.gz CNYJNOCWRGSXAC-UHFFFAOYSA-N -1 3 373.369 2.647 20 30 FFEDHM CC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc(C(C)=O)c1 ZINC001260045565 1040376841 /nfs/dbraw/zinc/37/68/41/1040376841.db2.gz YNHGIQHNUSKMJJ-UHFFFAOYSA-N -1 3 356.403 2.905 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c(F)c1F ZINC001260452620 1040600105 /nfs/dbraw/zinc/60/01/05/1040600105.db2.gz LIBYPBRHVPVSTL-UHFFFAOYSA-N -1 3 362.313 2.744 20 30 FFEDHM N#CC12CCC([N-]S(=O)(=O)c3ccc(Cl)c4nonc43)(CC1)CC2 ZINC001261074271 1040980904 /nfs/dbraw/zinc/98/09/04/1040980904.db2.gz IOUODYRMYIVBGM-UHFFFAOYSA-N -1 3 366.830 2.771 20 30 FFEDHM N#Cc1cc(Nc2ccc(C(N)=O)c([O-])c2)ccc1OC1CCOCC1 ZINC001216669437 1042089604 /nfs/dbraw/zinc/08/96/04/1042089604.db2.gz ZOCYWPUZBOLZNE-UHFFFAOYSA-N -1 3 353.378 2.664 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1ncc(CC)s1 ZINC001263323094 1042240374 /nfs/dbraw/zinc/24/03/74/1042240374.db2.gz GLNUZAWJIBKXRO-UHFFFAOYSA-N -1 3 360.443 2.870 20 30 FFEDHM CCOc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC001310183705 1043647262 /nfs/dbraw/zinc/64/72/62/1043647262.db2.gz ADMOBJOHDRIVMH-SNVBAGLBSA-N -1 3 361.320 2.606 20 30 FFEDHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001319339190 1045116937 /nfs/dbraw/zinc/11/69/37/1045116937.db2.gz RITFCTRSPWPEIZ-HNNXBMFYSA-N -1 3 371.462 2.779 20 30 FFEDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc1 ZINC001320445982 1045409789 /nfs/dbraw/zinc/40/97/89/1045409789.db2.gz QMVMQJXDAWNWIE-UHFFFAOYSA-N -1 3 361.379 2.568 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001325950875 1046696539 /nfs/dbraw/zinc/69/65/39/1046696539.db2.gz CADLWCQMWYUNIK-LBPRGKRZSA-N -1 3 363.252 2.946 20 30 FFEDHM C=C[C@](C)(O)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001540334262 1070850582 /nfs/dbraw/zinc/85/05/82/1070850582.db2.gz ZNOHQEYFGRMUTR-SFHVURJKSA-N -1 3 360.435 2.671 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001327998863 1048128306 /nfs/dbraw/zinc/12/83/06/1048128306.db2.gz NAWUTOTYBFOELX-UHFFFAOYSA-N -1 3 360.810 2.951 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001330601386 1049224363 /nfs/dbraw/zinc/22/43/63/1049224363.db2.gz MOWWGNFNYPYLEK-UHFFFAOYSA-N -1 3 358.769 2.625 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](CC)[C@H]2C)ccc1F ZINC001296701318 1050083289 /nfs/dbraw/zinc/08/32/89/1050083289.db2.gz NIWTVJCPTSQXEL-OLZOCXBDSA-N -1 3 354.447 2.551 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(C)CCC1CCOCC1 ZINC001341756622 1050374575 /nfs/dbraw/zinc/37/45/75/1050374575.db2.gz XKBUFZWGWKBDSN-UHFFFAOYSA-N -1 3 365.869 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(C)CCC1CCOCC1 ZINC001341756622 1050374584 /nfs/dbraw/zinc/37/45/84/1050374584.db2.gz XKBUFZWGWKBDSN-UHFFFAOYSA-N -1 3 365.869 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccc(C)o1 ZINC001341840237 1050451331 /nfs/dbraw/zinc/45/13/31/1050451331.db2.gz RCQLCWXQMKIROH-UHFFFAOYSA-N -1 3 354.414 2.863 20 30 FFEDHM Cc1ccc2nc(-c3ccco3)cc(C(=O)N[C@H]3CCCN([O-])C3=O)c2c1 ZINC001298543116 1050470485 /nfs/dbraw/zinc/47/04/85/1050470485.db2.gz LZSJHSHHMFCASM-INIZCTEOSA-N -1 3 365.389 2.913 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001341869107 1050478151 /nfs/dbraw/zinc/47/81/51/1050478151.db2.gz XIABTONAVBBLPC-INIZCTEOSA-N -1 3 365.869 2.688 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001341869107 1050478156 /nfs/dbraw/zinc/47/81/56/1050478156.db2.gz XIABTONAVBBLPC-INIZCTEOSA-N -1 3 365.869 2.688 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001342026459 1050625399 /nfs/dbraw/zinc/62/53/99/1050625399.db2.gz ZDDXOKZEDYTUNW-CQSZACIVSA-N -1 3 360.487 2.595 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CCOCC ZINC001340267498 1050670952 /nfs/dbraw/zinc/67/09/52/1050670952.db2.gz BDFOQTRVNSOTDK-UHFFFAOYSA-N -1 3 359.455 2.919 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001342259544 1050851865 /nfs/dbraw/zinc/85/18/65/1050851865.db2.gz PDJCOPBOCHVAKY-HNNXBMFYSA-N -1 3 352.394 2.622 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccc(C)cc2C1 ZINC001340572303 1050959251 /nfs/dbraw/zinc/95/92/51/1050959251.db2.gz QPGQXURYDWNPDY-UHFFFAOYSA-N -1 3 362.437 2.806 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001342853845 1051461830 /nfs/dbraw/zinc/46/18/30/1051461830.db2.gz SGAAWBHSDKXPRU-UHFFFAOYSA-N -1 3 355.320 2.914 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001343314815 1052156180 /nfs/dbraw/zinc/15/61/80/1052156180.db2.gz HQQLFCOPTWPXAG-LBPRGKRZSA-N -1 3 365.869 2.687 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001343314815 1052156183 /nfs/dbraw/zinc/15/61/83/1052156183.db2.gz HQQLFCOPTWPXAG-LBPRGKRZSA-N -1 3 365.869 2.687 20 30 FFEDHM CCCCS[C@H](C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892319 1052213691 /nfs/dbraw/zinc/21/36/91/1052213691.db2.gz CXKCVNIEVMBZRD-CYBMUJFWSA-N -1 3 364.467 2.812 20 30 FFEDHM O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N([O-])CCCCc1ccccc1 ZINC001306896491 1052215173 /nfs/dbraw/zinc/21/51/73/1052215173.db2.gz ZFDWGLBMVOVLTJ-AWEZNQCLSA-N -1 3 358.360 2.780 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCCC2(CCOCC2)C1 ZINC001343734860 1052394702 /nfs/dbraw/zinc/39/47/02/1052394702.db2.gz UOAITGFQJNMQNT-UHFFFAOYSA-N -1 3 359.430 2.612 20 30 FFEDHM C=CC[C@H](C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001347670789 1054211027 /nfs/dbraw/zinc/21/10/27/1054211027.db2.gz GRUPEAONWHLGAJ-ROUUACIJSA-N -1 3 366.465 2.936 20 30 FFEDHM C=CC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC001338696603 1055740019 /nfs/dbraw/zinc/74/00/19/1055740019.db2.gz VMDBRQGCSIMHOF-MRXNPFEDSA-N -1 3 366.421 2.527 20 30 FFEDHM C=CC[C@@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CCCOCC)C1 ZINC001357392883 1055889359 /nfs/dbraw/zinc/88/93/59/1055889359.db2.gz JUHVYHJXRLOCHG-OAHLLOKOSA-N -1 3 372.473 2.660 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)n1-c1ccn(C)n1 ZINC001357700545 1055986938 /nfs/dbraw/zinc/98/69/38/1055986938.db2.gz GIDSLLSZKNJYEM-OAHLLOKOSA-N -1 3 373.420 2.897 20 30 FFEDHM N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC001446514056 1058524627 /nfs/dbraw/zinc/52/46/27/1058524627.db2.gz GIELEQBSKOIYND-UHFFFAOYSA-N -1 3 368.773 2.734 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001448551628 1058789116 /nfs/dbraw/zinc/78/91/16/1058789116.db2.gz KTZDBJNKTOGWGL-UHFFFAOYSA-N -1 3 371.303 2.751 20 30 FFEDHM COc1ccccc1Nc1ccccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848131623 1059097355 /nfs/dbraw/zinc/09/73/55/1059097355.db2.gz AZLIGYIILVYMQW-INIZCTEOSA-N -1 3 355.394 2.549 20 30 FFEDHM CCCCCc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848137741 1059110701 /nfs/dbraw/zinc/11/07/01/1059110701.db2.gz IYUMLHONFJOFKK-QGZVFWFLSA-N -1 3 360.454 2.879 20 30 FFEDHM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848138187 1059113574 /nfs/dbraw/zinc/11/35/74/1059113574.db2.gz KEOUFHMCBFULIO-QAPCUYQASA-N -1 3 368.433 2.541 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@@H](C)O[C@H](COC)C3)n2C)c1[O-] ZINC001520084371 1059386684 /nfs/dbraw/zinc/38/66/84/1059386684.db2.gz MXJLGHHXQSYPTF-ZBFHGGJFSA-N -1 3 372.469 2.546 20 30 FFEDHM CON=Cc1ccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001456931394 1060231792 /nfs/dbraw/zinc/23/17/92/1060231792.db2.gz BWGSTFMZFZGBMU-KOMQPUFPSA-N -1 3 354.410 2.619 20 30 FFEDHM C#CCOCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC001458913780 1060678198 /nfs/dbraw/zinc/67/81/98/1060678198.db2.gz RIQOOMRUWFQDQU-UHFFFAOYSA-N -1 3 360.826 2.916 20 30 FFEDHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n2)cc1 ZINC001475094485 1060942145 /nfs/dbraw/zinc/94/21/45/1060942145.db2.gz XJTHDBBPRYRTGE-LBPRGKRZSA-N -1 3 362.455 2.829 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cc(=O)oc4cc([O-])ccc34)CC2)cc1 ZINC001460638772 1061044567 /nfs/dbraw/zinc/04/45/67/1061044567.db2.gz QHHJMQWQUKHQPW-UHFFFAOYSA-N -1 3 361.401 2.692 20 30 FFEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccnc(C#N)c1 ZINC001475790785 1061279383 /nfs/dbraw/zinc/27/93/83/1061279383.db2.gz LGLAGIFPMHUOPQ-UHFFFAOYSA-N -1 3 354.416 2.518 20 30 FFEDHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC#Cc1ccccc1)c1ccccc1[O-] ZINC001522234581 1061778761 /nfs/dbraw/zinc/77/87/61/1061778761.db2.gz XUFULJOOCHXXDR-RLLQIKCJSA-N -1 3 374.440 2.696 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(F)cc1 ZINC001463192061 1061981291 /nfs/dbraw/zinc/98/12/91/1061981291.db2.gz AUKZAWMVFBYZDN-HNNXBMFYSA-N -1 3 352.362 2.502 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(C)C)on2)ccc1F ZINC001440293950 1063288270 /nfs/dbraw/zinc/28/82/70/1063288270.db2.gz GHIORTSZGSIDFJ-UHFFFAOYSA-N -1 3 367.402 2.654 20 30 FFEDHM Cc1ccc(C)c(C(=O)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC001470808985 1064458305 /nfs/dbraw/zinc/45/83/05/1064458305.db2.gz YJWDNAKWOZXBCD-UHFFFAOYSA-N -1 3 365.433 2.824 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)CNc3ccc(C#N)cc3)nc21 ZINC001472300894 1065006794 /nfs/dbraw/zinc/00/67/94/1065006794.db2.gz TVUMHOZKCVHNCO-UHFFFAOYSA-N -1 3 363.377 2.662 20 30 FFEDHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001472615962 1065111537 /nfs/dbraw/zinc/11/15/37/1065111537.db2.gz JYHCFKLJDQAGBQ-UHFFFAOYSA-N -1 3 365.172 2.909 20 30 FFEDHM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581261087 1078948229 /nfs/dbraw/zinc/94/82/29/1078948229.db2.gz SFFIETKAUAYZJY-NZSAHSFTSA-N -1 3 372.432 2.530 20 30 FFEDHM Clc1cccc(C#CCn2nnc(-c3ccccc3)c2-c2nnn[n-]2)c1 ZINC001581745470 1078995537 /nfs/dbraw/zinc/99/55/37/1078995537.db2.gz GBVMJDHUZXZUFX-UHFFFAOYSA-N -1 3 361.796 2.830 20 30 FFEDHM N#CC1(c2ccc(COC(=O)c3ccc(-c4nnn[n-]4)cc3F)cc2)CC1 ZINC001581856819 1079009084 /nfs/dbraw/zinc/00/90/84/1079009084.db2.gz FYSZGFKLWVOPKD-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM N#CC1(c2ccc(COC(=O)c3ccc(-c4nn[n-]n4)cc3F)cc2)CC1 ZINC001581856819 1079009092 /nfs/dbraw/zinc/00/90/92/1079009092.db2.gz FYSZGFKLWVOPKD-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM N#Cc1cc(F)cc(NC2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001581866718 1079010236 /nfs/dbraw/zinc/01/02/36/1079010236.db2.gz RMILYTKSMWSDOD-UHFFFAOYSA-N -1 3 363.400 2.958 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCN(c3ccc(F)cc3F)C2)c1[O-] ZINC001551953196 1074874751 /nfs/dbraw/zinc/87/47/51/1074874751.db2.gz ZMHJSXDRXLWWTL-IKDHMPEHSA-N -1 3 361.392 2.812 20 30 FFEDHM C=C1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC001557456356 1075852034 /nfs/dbraw/zinc/85/20/34/1075852034.db2.gz IYSAJBISKCVFIL-UHFFFAOYSA-N -1 3 353.603 2.956 20 30 FFEDHM N#Cc1ccccc1NC1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001557718899 1075878606 /nfs/dbraw/zinc/87/86/06/1075878606.db2.gz WHMBLWAUFYBQSP-UHFFFAOYSA-N -1 3 363.421 2.648 20 30 FFEDHM CCCCCCN([O-])C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC001559034899 1076118249 /nfs/dbraw/zinc/11/82/49/1076118249.db2.gz UHUPCDIPPLDNGV-UHFFFAOYSA-N -1 3 370.515 2.997 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001559035521 1076118295 /nfs/dbraw/zinc/11/82/95/1076118295.db2.gz UUZOXWVGHMSNIU-RDTXWAMCSA-N -1 3 356.463 2.668 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC001559976215 1076209588 /nfs/dbraw/zinc/20/95/88/1076209588.db2.gz NCLNEAJYAJRHPL-UHFFFAOYSA-N -1 3 371.433 2.838 20 30 FFEDHM Cc1ccc(C)c(C(=O)C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)c1 ZINC001561836309 1076431232 /nfs/dbraw/zinc/43/12/32/1076431232.db2.gz WOIHALAACYVMKQ-UHFFFAOYSA-N -1 3 360.410 2.617 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC)[C@@H]2CC2(C)C)ccc1F ZINC001570452504 1077207227 /nfs/dbraw/zinc/20/72/27/1077207227.db2.gz UEUFZJIMXIRERH-DZGCQCFKSA-N -1 3 368.474 2.845 20 30 FFEDHM C=C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C)c1ccccc1 ZINC001572896613 1077415657 /nfs/dbraw/zinc/41/56/57/1077415657.db2.gz ZLUCBIGYWANOLV-SZVBFZGTSA-N -1 3 364.445 2.939 20 30 FFEDHM CC(C)Cc1ccc([C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N(C)C)cc1 ZINC001573539475 1077732989 /nfs/dbraw/zinc/73/29/89/1077732989.db2.gz LUKLIJJVMKJZNS-XLIONFOSSA-N -1 3 359.470 2.609 20 30 FFEDHM C#C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001588328978 1079985183 /nfs/dbraw/zinc/98/51/83/1079985183.db2.gz VCXGQFZBDDPTAV-ZDUSSCGKSA-N -1 3 373.735 2.749 20 30 FFEDHM C#C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001588328978 1079985187 /nfs/dbraw/zinc/98/51/87/1079985187.db2.gz VCXGQFZBDDPTAV-ZDUSSCGKSA-N -1 3 373.735 2.749 20 30 FFEDHM C#CC[C@@H](OC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccn1 ZINC001588335072 1079988725 /nfs/dbraw/zinc/98/87/25/1079988725.db2.gz WQCGGYFJAFJCQZ-GOSISDBHSA-N -1 3 361.405 2.729 20 30 FFEDHM C#CC[C@@H](OC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccn1 ZINC001588335072 1079988729 /nfs/dbraw/zinc/98/87/29/1079988729.db2.gz WQCGGYFJAFJCQZ-GOSISDBHSA-N -1 3 361.405 2.729 20 30 FFEDHM C#CC[C@H](NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001588334309 1079988800 /nfs/dbraw/zinc/98/88/00/1079988800.db2.gz SQCPIRJGYDDYPA-IBGZPJMESA-N -1 3 359.433 2.907 20 30 FFEDHM C#CC[C@H](NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001588334309 1079988807 /nfs/dbraw/zinc/98/88/07/1079988807.db2.gz SQCPIRJGYDDYPA-IBGZPJMESA-N -1 3 359.433 2.907 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588336452 1079989206 /nfs/dbraw/zinc/98/92/06/1079989206.db2.gz APOKHGSGOVUXBE-SECBINFHSA-N -1 3 350.209 2.659 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588336452 1079989209 /nfs/dbraw/zinc/98/92/09/1079989209.db2.gz APOKHGSGOVUXBE-SECBINFHSA-N -1 3 350.209 2.659 20 30 FFEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC)C1CC1 ZINC001588345348 1079990191 /nfs/dbraw/zinc/99/01/91/1079990191.db2.gz ABMGWIYOICEPSD-UHFFFAOYSA-N -1 3 362.441 2.527 20 30 FFEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC)C1CC1 ZINC001588345348 1079990195 /nfs/dbraw/zinc/99/01/95/1079990195.db2.gz ABMGWIYOICEPSD-UHFFFAOYSA-N -1 3 362.441 2.527 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588351679 1079991476 /nfs/dbraw/zinc/99/14/76/1079991476.db2.gz FANNOWNTTXJPEW-OAHLLOKOSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588351679 1079991487 /nfs/dbraw/zinc/99/14/87/1079991487.db2.gz FANNOWNTTXJPEW-OAHLLOKOSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CCN(C)C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC001588349638 1079992255 /nfs/dbraw/zinc/99/22/55/1079992255.db2.gz UHGCPVQNJXDFQX-UHFFFAOYSA-N -1 3 363.446 2.864 20 30 FFEDHM C#CCN(C)C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC001588349638 1079992260 /nfs/dbraw/zinc/99/22/60/1079992260.db2.gz UHGCPVQNJXDFQX-UHFFFAOYSA-N -1 3 363.446 2.864 20 30 FFEDHM C#CCCOc1c(Br)cc(Br)cc1-c1nnn[n-]1 ZINC001588347861 1079992294 /nfs/dbraw/zinc/99/22/94/1079992294.db2.gz YLSRJJMFSYYWCB-UHFFFAOYSA-N -1 3 372.020 2.794 20 30 FFEDHM C#CCCOc1c(Br)cc(Br)cc1-c1nn[n-]n1 ZINC001588347861 1079992297 /nfs/dbraw/zinc/99/22/97/1079992297.db2.gz YLSRJJMFSYYWCB-UHFFFAOYSA-N -1 3 372.020 2.794 20 30 FFEDHM C#CCCOc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588347890 1079992305 /nfs/dbraw/zinc/99/23/05/1079992305.db2.gz ZNCDMMASMDZZHW-UHFFFAOYSA-N -1 3 361.405 2.936 20 30 FFEDHM C#CCCOc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588347890 1079992309 /nfs/dbraw/zinc/99/23/09/1079992309.db2.gz ZNCDMMASMDZZHW-UHFFFAOYSA-N -1 3 361.405 2.936 20 30 FFEDHM C#Cc1ccc([C@@H](OC(=O)c2cc(-c3nnn[n-]3)ccn2)C(F)(F)F)cc1 ZINC001588373648 1079996602 /nfs/dbraw/zinc/99/66/02/1079996602.db2.gz QCPWTTRHTFRJLO-CQSZACIVSA-N -1 3 373.294 2.703 20 30 FFEDHM C#Cc1ccc([C@@H](OC(=O)c2cc(-c3nn[n-]n3)ccn2)C(F)(F)F)cc1 ZINC001588373648 1079996608 /nfs/dbraw/zinc/99/66/08/1079996608.db2.gz QCPWTTRHTFRJLO-CQSZACIVSA-N -1 3 373.294 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588392710 1080005232 /nfs/dbraw/zinc/00/52/32/1080005232.db2.gz GXNPGDYXHUXNHT-UONOGXRCSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588392710 1080005241 /nfs/dbraw/zinc/00/52/41/1080005241.db2.gz GXNPGDYXHUXNHT-UONOGXRCSA-N -1 3 369.473 2.561 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588395055 1080006912 /nfs/dbraw/zinc/00/69/12/1080006912.db2.gz PBIFPFQAUAYWOZ-NVXWUHKLSA-N -1 3 368.458 2.776 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588394020 1080006926 /nfs/dbraw/zinc/00/69/26/1080006926.db2.gz TVRDCANCNCKMRS-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588394020 1080006929 /nfs/dbraw/zinc/00/69/29/1080006929.db2.gz TVRDCANCNCKMRS-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C(C)[C@H](CC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)OCC ZINC001588402720 1080009861 /nfs/dbraw/zinc/00/98/61/1080009861.db2.gz KWLXSPLMZMQWHB-IRXDYDNUSA-N -1 3 355.442 2.732 20 30 FFEDHM C=C(C)[C@H](CC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)OCC ZINC001588402720 1080009871 /nfs/dbraw/zinc/00/98/71/1080009871.db2.gz KWLXSPLMZMQWHB-IRXDYDNUSA-N -1 3 355.442 2.732 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588403935 1080012412 /nfs/dbraw/zinc/01/24/12/1080012412.db2.gz ADTKCCULVJUZNB-LLVKDONJSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588403935 1080012421 /nfs/dbraw/zinc/01/24/21/1080012421.db2.gz ADTKCCULVJUZNB-LLVKDONJSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001588429291 1080025947 /nfs/dbraw/zinc/02/59/47/1080025947.db2.gz GURNEZMVCZNJJS-KGLIPLIRSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001588429291 1080025955 /nfs/dbraw/zinc/02/59/55/1080025955.db2.gz GURNEZMVCZNJJS-KGLIPLIRSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C1CCC(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001588461335 1080035653 /nfs/dbraw/zinc/03/56/53/1080035653.db2.gz NKRYRFJVYBNRNW-UHFFFAOYSA-N -1 3 367.453 2.983 20 30 FFEDHM C=C1CCC(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001588461335 1080035663 /nfs/dbraw/zinc/03/56/63/1080035663.db2.gz NKRYRFJVYBNRNW-UHFFFAOYSA-N -1 3 367.453 2.983 20 30 FFEDHM C=C1CCC(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC001588462324 1080036847 /nfs/dbraw/zinc/03/68/47/1080036847.db2.gz LPOCGPLRFLSMCP-UHFFFAOYSA-N -1 3 367.388 2.876 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588474189 1080040736 /nfs/dbraw/zinc/04/07/36/1080040736.db2.gz DNKDNGNMKVHUGL-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588474189 1080040742 /nfs/dbraw/zinc/04/07/42/1080040742.db2.gz DNKDNGNMKVHUGL-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C#CCN1CCC(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)CC1 ZINC001588471402 1080040798 /nfs/dbraw/zinc/04/07/98/1080040798.db2.gz MJHXXJFQQPZXGG-UHFFFAOYSA-N -1 3 355.221 2.975 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC001588484721 1080048126 /nfs/dbraw/zinc/04/81/26/1080048126.db2.gz LBHYCXWEDVCKBR-UONOGXRCSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC001588484721 1080048138 /nfs/dbraw/zinc/04/81/38/1080048138.db2.gz LBHYCXWEDVCKBR-UONOGXRCSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588485078 1080050601 /nfs/dbraw/zinc/05/06/01/1080050601.db2.gz WOSZVDPZXJOKBX-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588485078 1080050609 /nfs/dbraw/zinc/05/06/09/1080050609.db2.gz WOSZVDPZXJOKBX-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588493760 1080055336 /nfs/dbraw/zinc/05/53/36/1080055336.db2.gz KURUPPGMONQLHQ-ZOJXTTQQSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588493760 1080055343 /nfs/dbraw/zinc/05/53/43/1080055343.db2.gz KURUPPGMONQLHQ-ZOJXTTQQSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588525214 1080078758 /nfs/dbraw/zinc/07/87/58/1080078758.db2.gz WXGAPIPJAYVSEA-KGLIPLIRSA-N -1 3 372.448 2.551 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588525214 1080078766 /nfs/dbraw/zinc/07/87/66/1080078766.db2.gz WXGAPIPJAYVSEA-KGLIPLIRSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588532833 1080081740 /nfs/dbraw/zinc/08/17/40/1080081740.db2.gz HIYKRAGOZSTBAT-LBPRGKRZSA-N -1 3 360.437 2.772 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588532833 1080081746 /nfs/dbraw/zinc/08/17/46/1080081746.db2.gz HIYKRAGOZSTBAT-LBPRGKRZSA-N -1 3 360.437 2.772 20 30 FFEDHM C=CCC1(NS(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588557632 1080095126 /nfs/dbraw/zinc/09/51/26/1080095126.db2.gz QPBHUVUABQQLMJ-UHFFFAOYSA-N -1 3 367.500 2.627 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001588560014 1080096170 /nfs/dbraw/zinc/09/61/70/1080096170.db2.gz NDXRTVPTBMHYTL-KBPBESRZSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001588560014 1080096178 /nfs/dbraw/zinc/09/61/78/1080096178.db2.gz NDXRTVPTBMHYTL-KBPBESRZSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CCC[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588578803 1080106365 /nfs/dbraw/zinc/10/63/65/1080106365.db2.gz GGFRJBRGKPCENJ-AWEZNQCLSA-N -1 3 356.430 2.516 20 30 FFEDHM C=CCC[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588578803 1080106371 /nfs/dbraw/zinc/10/63/71/1080106371.db2.gz GGFRJBRGKPCENJ-AWEZNQCLSA-N -1 3 356.430 2.516 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H]([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588581805 1080107413 /nfs/dbraw/zinc/10/74/13/1080107413.db2.gz ATEHMWIXKVFCSQ-GJZGRUSLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H]([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588581805 1080107416 /nfs/dbraw/zinc/10/74/16/1080107416.db2.gz ATEHMWIXKVFCSQ-GJZGRUSLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588582053 1080107700 /nfs/dbraw/zinc/10/77/00/1080107700.db2.gz FZFURUYBSPHRKM-LBPRGKRZSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588582053 1080107704 /nfs/dbraw/zinc/10/77/04/1080107704.db2.gz FZFURUYBSPHRKM-LBPRGKRZSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001588582219 1080108633 /nfs/dbraw/zinc/10/86/33/1080108633.db2.gz HXBAVZIWXSTPQN-CHWSQXEVSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001588582219 1080108635 /nfs/dbraw/zinc/10/86/35/1080108635.db2.gz HXBAVZIWXSTPQN-CHWSQXEVSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588588320 1080111110 /nfs/dbraw/zinc/11/11/10/1080111110.db2.gz KOQXMQBRLUFXPS-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588588320 1080111114 /nfs/dbraw/zinc/11/11/14/1080111114.db2.gz KOQXMQBRLUFXPS-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001588594842 1080117330 /nfs/dbraw/zinc/11/73/30/1080117330.db2.gz UMXCSQGUXJVFQR-SHTZXODSSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001588594842 1080117342 /nfs/dbraw/zinc/11/73/42/1080117342.db2.gz UMXCSQGUXJVFQR-SHTZXODSSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)OCc1ccccc1 ZINC001588603783 1080120503 /nfs/dbraw/zinc/12/05/03/1080120503.db2.gz VVDYNWBAXWEWLD-LJQANCHMSA-N -1 3 365.437 2.910 20 30 FFEDHM C=CCCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)OCc1ccccc1 ZINC001588603783 1080120507 /nfs/dbraw/zinc/12/05/07/1080120507.db2.gz VVDYNWBAXWEWLD-LJQANCHMSA-N -1 3 365.437 2.910 20 30 FFEDHM C=CCN(CC(F)(F)F)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001588627631 1080127453 /nfs/dbraw/zinc/12/74/53/1080127453.db2.gz CMNLXZHOWDLRFI-UHFFFAOYSA-N -1 3 361.274 2.535 20 30 FFEDHM C=CCN(CC(F)(F)F)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001588627631 1080127455 /nfs/dbraw/zinc/12/74/55/1080127455.db2.gz CMNLXZHOWDLRFI-UHFFFAOYSA-N -1 3 361.274 2.535 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(F)cc1 ZINC001588640117 1080133117 /nfs/dbraw/zinc/13/31/17/1080133117.db2.gz LHLZGIGSSXRHKL-UHFFFAOYSA-N -1 3 351.385 2.763 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(F)cc1 ZINC001588640117 1080133121 /nfs/dbraw/zinc/13/31/21/1080133121.db2.gz LHLZGIGSSXRHKL-UHFFFAOYSA-N -1 3 351.385 2.763 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC001588647892 1080137632 /nfs/dbraw/zinc/13/76/32/1080137632.db2.gz CZFFOHMELKREHH-INIZCTEOSA-N -1 3 370.501 2.889 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ocnc1C(F)F ZINC001588649097 1080139564 /nfs/dbraw/zinc/13/95/64/1080139564.db2.gz ZVCUIYVYXQKVLV-UHFFFAOYSA-N -1 3 360.324 2.621 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ocnc1C(F)F ZINC001588649097 1080139568 /nfs/dbraw/zinc/13/95/68/1080139568.db2.gz ZVCUIYVYXQKVLV-UHFFFAOYSA-N -1 3 360.324 2.621 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1csnc1OC ZINC001588649615 1080139873 /nfs/dbraw/zinc/13/98/73/1080139873.db2.gz VESGLPIYCICHRK-UHFFFAOYSA-N -1 3 371.426 2.552 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1csnc1OC ZINC001588649615 1080139877 /nfs/dbraw/zinc/13/98/77/1080139877.db2.gz VESGLPIYCICHRK-UHFFFAOYSA-N -1 3 371.426 2.552 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588652148 1080141845 /nfs/dbraw/zinc/14/18/45/1080141845.db2.gz LPMBIIHIUJCVHP-ZHACJKMWSA-N -1 3 370.416 2.966 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588652148 1080141850 /nfs/dbraw/zinc/14/18/50/1080141850.db2.gz LPMBIIHIUJCVHP-ZHACJKMWSA-N -1 3 370.416 2.966 20 30 FFEDHM C=CCNC(=S)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001588663910 1080146355 /nfs/dbraw/zinc/14/63/55/1080146355.db2.gz QNWDEAOAXDRFDG-UHFFFAOYSA-N -1 3 350.451 2.934 20 30 FFEDHM C=CCNC(=S)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001588663910 1080146360 /nfs/dbraw/zinc/14/63/60/1080146360.db2.gz QNWDEAOAXDRFDG-UHFFFAOYSA-N -1 3 350.451 2.934 20 30 FFEDHM C=CCOc1ccc(CC(=O)Nc2scc(C)c2-c2nnn[n-]2)cc1 ZINC001588689785 1080155601 /nfs/dbraw/zinc/15/56/01/1080155601.db2.gz QJOZLACCEAKEHR-UHFFFAOYSA-N -1 3 355.423 2.983 20 30 FFEDHM C=CCOc1ccc(CC(=O)Nc2scc(C)c2-c2nn[n-]n2)cc1 ZINC001588689785 1080155604 /nfs/dbraw/zinc/15/56/04/1080155604.db2.gz QJOZLACCEAKEHR-UHFFFAOYSA-N -1 3 355.423 2.983 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001588689708 1080155843 /nfs/dbraw/zinc/15/58/43/1080155843.db2.gz KHIKTMSHGGZNIW-UHFFFAOYSA-N -1 3 374.404 2.843 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001588689708 1080155845 /nfs/dbraw/zinc/15/58/45/1080155845.db2.gz KHIKTMSHGGZNIW-UHFFFAOYSA-N -1 3 374.404 2.843 20 30 FFEDHM C=CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588689051 1080156551 /nfs/dbraw/zinc/15/65/51/1080156551.db2.gz WRGKNFWMCFLTDG-UHFFFAOYSA-N -1 3 367.369 2.534 20 30 FFEDHM C=CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588689051 1080156559 /nfs/dbraw/zinc/15/65/59/1080156559.db2.gz WRGKNFWMCFLTDG-UHFFFAOYSA-N -1 3 367.369 2.534 20 30 FFEDHM C=CCSc1ccccc1C(=O)NOc1cccc(-c2nnn[n-]2)c1 ZINC001588694479 1080159574 /nfs/dbraw/zinc/15/95/74/1080159574.db2.gz KCTQOZYSFODQMK-UHFFFAOYSA-N -1 3 353.407 2.869 20 30 FFEDHM C=CCSc1ccccc1C(=O)NOc1cccc(-c2nn[n-]n2)c1 ZINC001588694479 1080159579 /nfs/dbraw/zinc/15/95/79/1080159579.db2.gz KCTQOZYSFODQMK-UHFFFAOYSA-N -1 3 353.407 2.869 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001588698918 1080160394 /nfs/dbraw/zinc/16/03/94/1080160394.db2.gz BYIQIJBRFCNOGW-INIZCTEOSA-N -1 3 362.441 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001588698918 1080160401 /nfs/dbraw/zinc/16/04/01/1080160401.db2.gz BYIQIJBRFCNOGW-INIZCTEOSA-N -1 3 362.441 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001588699193 1080161039 /nfs/dbraw/zinc/16/10/39/1080161039.db2.gz FLYZSMILJDDYLV-XJKSGUPXSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001588699193 1080161041 /nfs/dbraw/zinc/16/10/41/1080161041.db2.gz FLYZSMILJDDYLV-XJKSGUPXSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CCn1c(C2CC=CC2)nnc1N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588703456 1080162287 /nfs/dbraw/zinc/16/22/87/1080162287.db2.gz PNISTTIJPWGZLP-UHFFFAOYSA-N -1 3 368.470 2.776 20 30 FFEDHM C=CCn1c(C2CC=CC2)nnc1N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588703456 1080162289 /nfs/dbraw/zinc/16/22/89/1080162289.db2.gz PNISTTIJPWGZLP-UHFFFAOYSA-N -1 3 368.470 2.776 20 30 FFEDHM CC#CCCCC(=O)NC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC001588740299 1080177524 /nfs/dbraw/zinc/17/75/24/1080177524.db2.gz LGEHJMCRGXWIOT-INIZCTEOSA-N -1 3 372.448 2.752 20 30 FFEDHM CC#CCCCC(=O)NC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC001588740299 1080177526 /nfs/dbraw/zinc/17/75/26/1080177526.db2.gz LGEHJMCRGXWIOT-INIZCTEOSA-N -1 3 372.448 2.752 20 30 FFEDHM C=CCC[C@H](NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1 ZINC001588778498 1080191820 /nfs/dbraw/zinc/19/18/20/1080191820.db2.gz CAPHPUKNPYXTRE-KRWDZBQOSA-N -1 3 359.470 2.884 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccccc1-c1nnn[n-]1 ZINC001588777468 1080192079 /nfs/dbraw/zinc/19/20/79/1080192079.db2.gz ZQLHBBCHSPXYHD-UHFFFAOYSA-N -1 3 351.267 2.654 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccccc1-c1nn[n-]n1 ZINC001588777468 1080192082 /nfs/dbraw/zinc/19/20/82/1080192082.db2.gz ZQLHBBCHSPXYHD-UHFFFAOYSA-N -1 3 351.267 2.654 20 30 FFEDHM CC(C)(C#N)CCCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001589034078 1080316035 /nfs/dbraw/zinc/31/60/35/1080316035.db2.gz QSOUBEQXTNOOML-UHFFFAOYSA-N -1 3 357.414 2.897 20 30 FFEDHM CC(C)(C#N)CCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001589034078 1080316041 /nfs/dbraw/zinc/31/60/41/1080316041.db2.gz QSOUBEQXTNOOML-UHFFFAOYSA-N -1 3 357.414 2.897 20 30 FFEDHM CC(C)(C(=O)N1CCc2c1cccc2C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589041894 1080320284 /nfs/dbraw/zinc/32/02/84/1080320284.db2.gz ODCJYDAKSHUGNR-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)(C(=O)N1CCc2c1cccc2C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589041894 1080320288 /nfs/dbraw/zinc/32/02/88/1080320288.db2.gz ODCJYDAKSHUGNR-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)(C(=O)NCC1CCC(C#N)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589047032 1080323599 /nfs/dbraw/zinc/32/35/99/1080323599.db2.gz RMHNIMNSRPEZKW-UHFFFAOYSA-N -1 3 352.442 2.590 20 30 FFEDHM CC(C)(C(=O)NCC1CCC(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589047032 1080323608 /nfs/dbraw/zinc/32/36/08/1080323608.db2.gz RMHNIMNSRPEZKW-UHFFFAOYSA-N -1 3 352.442 2.590 20 30 FFEDHM CC(C)(CCC#N)CNC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001589271935 1080457709 /nfs/dbraw/zinc/45/77/09/1080457709.db2.gz BSPPXBKLRMSZPY-UHFFFAOYSA-N -1 3 365.397 2.581 20 30 FFEDHM CC(C)(CCC#N)CNC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001589271935 1080457712 /nfs/dbraw/zinc/45/77/12/1080457712.db2.gz BSPPXBKLRMSZPY-UHFFFAOYSA-N -1 3 365.397 2.581 20 30 FFEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)Nc1ccc(C#N)cc1 ZINC001589301560 1080470990 /nfs/dbraw/zinc/47/09/90/1080470990.db2.gz LETNELQAANWNNT-UHFFFAOYSA-N -1 3 361.409 2.881 20 30 FFEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)Nc1ccc(C#N)cc1 ZINC001589301560 1080470993 /nfs/dbraw/zinc/47/09/93/1080470993.db2.gz LETNELQAANWNNT-UHFFFAOYSA-N -1 3 361.409 2.881 20 30 FFEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ccc(CC#N)cc1 ZINC001589301404 1080471608 /nfs/dbraw/zinc/47/16/08/1080471608.db2.gz CZRNLSSNDFNJPJ-UHFFFAOYSA-N -1 3 360.421 2.684 20 30 FFEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ccc(CC#N)cc1 ZINC001589301404 1080471611 /nfs/dbraw/zinc/47/16/11/1080471611.db2.gz CZRNLSSNDFNJPJ-UHFFFAOYSA-N -1 3 360.421 2.684 20 30 FFEDHM CC(C)(NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC001589316852 1080478666 /nfs/dbraw/zinc/47/86/66/1080478666.db2.gz DVTOMPRSBVWENR-UHFFFAOYSA-N -1 3 368.347 2.682 20 30 FFEDHM CC(C)(NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC001589316852 1080478672 /nfs/dbraw/zinc/47/86/72/1080478672.db2.gz DVTOMPRSBVWENR-UHFFFAOYSA-N -1 3 368.347 2.682 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC001589894089 1080840207 /nfs/dbraw/zinc/84/02/07/1080840207.db2.gz MFVCQBNZJBYTIM-UONOGXRCSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC001589894089 1080840212 /nfs/dbraw/zinc/84/02/12/1080840212.db2.gz MFVCQBNZJBYTIM-UONOGXRCSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001589915324 1080857325 /nfs/dbraw/zinc/85/73/25/1080857325.db2.gz GXTMSTGKDJXGEN-GUYCJALGSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001590023829 1080949911 /nfs/dbraw/zinc/94/99/11/1080949911.db2.gz RAKNERUQLURKEI-LLVKDONJSA-N -1 3 359.349 2.928 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001590023829 1080949915 /nfs/dbraw/zinc/94/99/15/1080949915.db2.gz RAKNERUQLURKEI-LLVKDONJSA-N -1 3 359.349 2.928 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC001590024368 1080950558 /nfs/dbraw/zinc/95/05/58/1080950558.db2.gz ZIFSTFDVRTYRNO-DWQUBVKVSA-N -1 3 355.398 2.650 20 30 FFEDHM C[C@]1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C1 ZINC001590056456 1080983626 /nfs/dbraw/zinc/98/36/26/1080983626.db2.gz LWFZZUVPMWZENR-QGZVFWFLSA-N -1 3 371.351 2.756 20 30 FFEDHM C[C@]1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC001590056456 1080983633 /nfs/dbraw/zinc/98/36/33/1080983633.db2.gz LWFZZUVPMWZENR-QGZVFWFLSA-N -1 3 371.351 2.756 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)o3)c2-c2nnn[n-]2)C1 ZINC001590278778 1081136820 /nfs/dbraw/zinc/13/68/20/1081136820.db2.gz FAVYJLKBIMEUKX-QMMMGPOBSA-N -1 3 354.395 2.770 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)o3)c2-c2nn[n-]n2)C1 ZINC001590278778 1081136822 /nfs/dbraw/zinc/13/68/22/1081136822.db2.gz FAVYJLKBIMEUKX-QMMMGPOBSA-N -1 3 354.395 2.770 20 30 FFEDHM N#Cc1ccc(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001608207461 1126236174 /nfs/dbraw/zinc/23/61/74/1126236174.db2.gz JBOHDMZZBCZYKE-MRXNPFEDSA-N -1 3 365.345 2.998 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccc(Cl)c1 ZINC000018105820 249325952 /nfs/dbraw/zinc/32/59/52/249325952.db2.gz RMHGVTUYVFAYAP-UHFFFAOYSA-N -1 3 357.841 2.808 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000272352747 252017448 /nfs/dbraw/zinc/01/74/48/252017448.db2.gz AHCISNLGTDTHER-AWEZNQCLSA-N -1 3 354.815 2.861 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(OC)c(OC)c1 ZINC000286821404 257056879 /nfs/dbraw/zinc/05/68/79/257056879.db2.gz VIENNACBYCPULS-ZDUSSCGKSA-N -1 3 350.396 2.598 20 30 FFEDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CC1 ZINC000290660333 257350869 /nfs/dbraw/zinc/35/08/69/257350869.db2.gz FQDCVZZXMFKGTH-UHFFFAOYSA-N -1 3 374.418 2.522 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000330764216 258170095 /nfs/dbraw/zinc/17/00/95/258170095.db2.gz RHBCWDSKQCMVJG-UKRRQHHQSA-N -1 3 356.875 2.821 20 30 FFEDHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000420724761 514260232 /nfs/dbraw/zinc/26/02/32/514260232.db2.gz LFDIWVPKGILMRK-MNOVXSKESA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(F)cc3C#N)nc21 ZINC000410317972 512239133 /nfs/dbraw/zinc/23/91/33/512239133.db2.gz MTSCTKSMPRCETP-UHFFFAOYSA-N -1 3 359.382 2.668 20 30 FFEDHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccccc1C#N ZINC000008059937 506617971 /nfs/dbraw/zinc/61/79/71/506617971.db2.gz LQNBBJFGNDYTJW-UHFFFAOYSA-N -1 3 366.446 2.839 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067091733 506754894 /nfs/dbraw/zinc/75/48/94/506754894.db2.gz IGZZKUDPWDYZEF-SJLPKXTDSA-N -1 3 353.397 2.607 20 30 FFEDHM C=CCOC(=O)c1sc2[n-]c(Cc3csc(C)n3)nc(=O)c2c1C ZINC000055502849 506767638 /nfs/dbraw/zinc/76/76/38/506767638.db2.gz NCDMEZVJBYCOBJ-UHFFFAOYSA-N -1 3 361.448 2.992 20 30 FFEDHM CCN(CC)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1 ZINC000044639644 506868228 /nfs/dbraw/zinc/86/82/28/506868228.db2.gz YGAIYGOWGUHDDP-UHFFFAOYSA-N -1 3 367.453 2.676 20 30 FFEDHM CC(C)COCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055989234 506903787 /nfs/dbraw/zinc/90/37/87/506903787.db2.gz HCSNIMQWXLKHJP-UHFFFAOYSA-N -1 3 364.389 2.918 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(C(=O)N3CCCCC3)cc2)c1[O-] ZINC000016937125 507108846 /nfs/dbraw/zinc/10/88/46/507108846.db2.gz WZPGBXMYFLRHSF-LPYMAVHISA-N -1 3 367.449 2.833 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000046812317 507200768 /nfs/dbraw/zinc/20/07/68/507200768.db2.gz UMBVNINBHCPOCA-UHFFFAOYSA-N -1 3 369.303 2.501 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000046812317 507200777 /nfs/dbraw/zinc/20/07/77/507200777.db2.gz UMBVNINBHCPOCA-UHFFFAOYSA-N -1 3 369.303 2.501 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)cs1 ZINC000047899684 507411284 /nfs/dbraw/zinc/41/12/84/507411284.db2.gz QABYXKVQDBUCLC-UHFFFAOYSA-N -1 3 370.356 2.910 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C(C2CC2)C2CC2)ccc1F ZINC000050400401 507684413 /nfs/dbraw/zinc/68/44/13/507684413.db2.gz ZHLABQLBEYLHEB-UHFFFAOYSA-N -1 3 366.458 2.551 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nccs2)c(C(F)(F)F)c1 ZINC000051162911 507746968 /nfs/dbraw/zinc/74/69/68/507746968.db2.gz YZEPESLFLXKRKJ-UHFFFAOYSA-N -1 3 361.370 2.555 20 30 FFEDHM N#CC1(NC(=O)CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)CCCCC1 ZINC000072952773 507875988 /nfs/dbraw/zinc/87/59/88/507875988.db2.gz WDOUZLSORLNOBC-SFHVURJKSA-N -1 3 371.481 2.716 20 30 FFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000078868649 507913661 /nfs/dbraw/zinc/91/36/61/507913661.db2.gz WLOGWMYTDXIGQT-SNVBAGLBSA-N -1 3 355.329 2.845 20 30 FFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000078868649 507913665 /nfs/dbraw/zinc/91/36/65/507913665.db2.gz WLOGWMYTDXIGQT-SNVBAGLBSA-N -1 3 355.329 2.845 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000078868649 507913668 /nfs/dbraw/zinc/91/36/68/507913668.db2.gz WLOGWMYTDXIGQT-SNVBAGLBSA-N -1 3 355.329 2.845 20 30 FFEDHM Cc1ccc(O[C@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000080662561 508092144 /nfs/dbraw/zinc/09/21/44/508092144.db2.gz RBSDCSJQWOANGI-CQSZACIVSA-N -1 3 367.449 2.688 20 30 FFEDHM N#CC1(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])CCOCC1 ZINC000094151360 508170721 /nfs/dbraw/zinc/17/07/21/508170721.db2.gz JVKVKOSDIWPPHZ-UHFFFAOYSA-N -1 3 352.390 2.774 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000097106401 508219652 /nfs/dbraw/zinc/21/96/52/508219652.db2.gz QOEFPKKBGRAWDN-UHFFFAOYSA-N -1 3 361.401 2.689 20 30 FFEDHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C)NC1=O ZINC000103796109 508322647 /nfs/dbraw/zinc/32/26/47/508322647.db2.gz IDTHPZACPUQRNR-DGCLKSJQSA-N -1 3 360.373 2.783 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000106420895 508400531 /nfs/dbraw/zinc/40/05/31/508400531.db2.gz FPGFDOMSNJOIEV-QGZVFWFLSA-N -1 3 368.824 2.831 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(OCCN(C)C)c1 ZINC000127402207 508444546 /nfs/dbraw/zinc/44/45/46/508444546.db2.gz AACGSSSGYXMFGQ-UHFFFAOYSA-N -1 3 359.451 2.608 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(OCCN(C)C)c1 ZINC000127399430 508445044 /nfs/dbraw/zinc/44/50/44/508445044.db2.gz IGLJXRIYKKWBCT-UHFFFAOYSA-N -1 3 359.451 2.608 20 30 FFEDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000156589501 508445568 /nfs/dbraw/zinc/44/55/68/508445568.db2.gz QMDKKULNOJNSAQ-MRXNPFEDSA-N -1 3 364.854 2.786 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000156643037 508455937 /nfs/dbraw/zinc/45/59/37/508455937.db2.gz QEWGQOOVWAXVEQ-UHFFFAOYSA-N -1 3 362.426 2.625 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)COCc1ccccc1 ZINC000156714164 508466397 /nfs/dbraw/zinc/46/63/97/508466397.db2.gz DBJCJNMHAFXCIS-CQSZACIVSA-N -1 3 362.426 2.829 20 30 FFEDHM Cc1nc(Cl)ccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000152594374 508475804 /nfs/dbraw/zinc/47/58/04/508475804.db2.gz LZMFEMFETBKZSA-UHFFFAOYSA-N -1 3 359.813 2.896 20 30 FFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C2CC2)s1 ZINC000122294829 508514083 /nfs/dbraw/zinc/51/40/83/508514083.db2.gz QDYMYJLKVOFDBZ-AWEZNQCLSA-N -1 3 351.428 2.892 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)c(F)c1 ZINC000134666237 508557109 /nfs/dbraw/zinc/55/71/09/508557109.db2.gz CAFAYRUNSWSJQO-CQSZACIVSA-N -1 3 352.431 2.858 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000118275375 508643296 /nfs/dbraw/zinc/64/32/96/508643296.db2.gz PATAXLZPYYRJKO-KXBFYZLASA-N -1 3 373.497 2.754 20 30 FFEDHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000158108243 508657813 /nfs/dbraw/zinc/65/78/13/508657813.db2.gz FNPSOWUMEOQMQG-MFKMUULPSA-N -1 3 354.428 2.549 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]3OCC[C@@H]32)c(C(F)(F)F)c1 ZINC000129161724 508691947 /nfs/dbraw/zinc/69/19/47/508691947.db2.gz WMKVIGFMRDISRE-KWCYVHTRSA-N -1 3 374.384 2.813 20 30 FFEDHM N#CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000124470275 508836762 /nfs/dbraw/zinc/83/67/62/508836762.db2.gz FKGNBXYRQXTWGS-LBPRGKRZSA-N -1 3 351.409 2.980 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)c(F)c1 ZINC000151200564 508977249 /nfs/dbraw/zinc/97/72/49/508977249.db2.gz VVPSKNTYSPXHGS-IINYFYTJSA-N -1 3 352.337 2.810 20 30 FFEDHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151207105 508979078 /nfs/dbraw/zinc/97/90/78/508979078.db2.gz ZUPHPSGQLUJEGA-BBRMVZONSA-N -1 3 354.447 2.817 20 30 FFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccnc1 ZINC000125924225 509044714 /nfs/dbraw/zinc/04/47/14/509044714.db2.gz KDXTUGUREKYQJN-HNNXBMFYSA-N -1 3 374.422 2.580 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000120692387 509046155 /nfs/dbraw/zinc/04/61/55/509046155.db2.gz VDXCPLUNHZUANH-UHFFFAOYSA-N -1 3 365.333 2.651 20 30 FFEDHM Cc1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)sc1C ZINC000126663194 509109633 /nfs/dbraw/zinc/10/96/33/509109633.db2.gz OBJCKXWZOZYZBW-UHFFFAOYSA-N -1 3 355.872 2.806 20 30 FFEDHM C=CCN(C)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000161429545 509114969 /nfs/dbraw/zinc/11/49/69/509114969.db2.gz SKTPHJNQUAGFJD-UHFFFAOYSA-N -1 3 364.401 2.755 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)c(F)c1 ZINC000156157702 509136002 /nfs/dbraw/zinc/13/60/02/509136002.db2.gz JHGYYKFAQRLZEL-VIFPVBQESA-N -1 3 367.333 2.784 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)CCC2)n1 ZINC000266855710 509226606 /nfs/dbraw/zinc/22/66/06/509226606.db2.gz UAGPVTVAEQXWMR-UHFFFAOYSA-N -1 3 351.428 2.820 20 30 FFEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)Cc2ccc(C#N)cc2)[n-]1 ZINC000191962021 509265542 /nfs/dbraw/zinc/26/55/42/509265542.db2.gz KXUDEFDUVXGEFI-UHFFFAOYSA-N -1 3 354.410 2.982 20 30 FFEDHM CCCCc1nc(NC(=O)Cc2ccc(C#N)cc2)c(C(=O)OCC)[n-]1 ZINC000191962021 509265550 /nfs/dbraw/zinc/26/55/50/509265550.db2.gz KXUDEFDUVXGEFI-UHFFFAOYSA-N -1 3 354.410 2.982 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000267219139 509398659 /nfs/dbraw/zinc/39/86/59/509398659.db2.gz SHRJVQTZXSLKQD-SNVBAGLBSA-N -1 3 350.387 2.751 20 30 FFEDHM CS(=O)(=O)c1csc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC000179461378 509455688 /nfs/dbraw/zinc/45/56/88/509455688.db2.gz FZGIIHMTUQMQPM-UHFFFAOYSA-N -1 3 352.462 2.826 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@H](Cc1cccc2ccccc21)C(=O)OCC ZINC000185984563 509463345 /nfs/dbraw/zinc/46/33/45/509463345.db2.gz LOGNLBXJUQSDJN-GOSISDBHSA-N -1 3 361.463 2.810 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000166265393 509599830 /nfs/dbraw/zinc/59/98/30/509599830.db2.gz VJCJCCLVQAHZNI-KGLIPLIRSA-N -1 3 358.822 2.532 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000186425758 509702771 /nfs/dbraw/zinc/70/27/71/509702771.db2.gz QYDYUJFEAUSTMB-MRVPVSSYSA-N -1 3 365.224 2.567 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000186437344 509707793 /nfs/dbraw/zinc/70/77/93/509707793.db2.gz ZYZBERNGHBFBIX-MRVPVSSYSA-N -1 3 365.238 2.751 20 30 FFEDHM N#Cc1cccnc1-n1cc(NC([O-])=NOCc2ccc(F)cc2)cn1 ZINC000184628737 510427199 /nfs/dbraw/zinc/42/71/99/510427199.db2.gz WHIZOYVKHAWHNX-UHFFFAOYSA-N -1 3 352.329 2.531 20 30 FFEDHM N#Cc1cccnc1-n1cc(NC(=O)[N-]OCc2ccc(F)cc2)cn1 ZINC000184628737 510427206 /nfs/dbraw/zinc/42/72/06/510427206.db2.gz WHIZOYVKHAWHNX-UHFFFAOYSA-N -1 3 352.329 2.531 20 30 FFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)NCc1ccc(C#N)cc1F)c2=O ZINC000178301545 510535032 /nfs/dbraw/zinc/53/50/32/510535032.db2.gz NNRBRCZVBMUXSO-UHFFFAOYSA-N -1 3 353.328 2.916 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000184985200 510617679 /nfs/dbraw/zinc/61/76/79/510617679.db2.gz ZICRSJGGWMKDCC-CYBMUJFWSA-N -1 3 356.513 2.620 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)cc1OC ZINC000182007603 510704300 /nfs/dbraw/zinc/70/43/00/510704300.db2.gz FSSHPKLORHNZEF-MEDUHNTESA-N -1 3 356.419 2.594 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCCCCC#N)ccc1F ZINC000172585100 510805481 /nfs/dbraw/zinc/80/54/81/510805481.db2.gz BRLVHDBHZSSPLP-UHFFFAOYSA-N -1 3 370.450 2.718 20 30 FFEDHM O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000329923058 510878359 /nfs/dbraw/zinc/87/83/59/510878359.db2.gz GTVUFWNPKURGEP-UHFFFAOYSA-N -1 3 364.402 2.619 20 30 FFEDHM Cc1cc(C)c(N2CC[C@H](/N=C/c3c([O-])c(C)ncc3CO)C2=O)c(C)c1 ZINC000276432563 510938316 /nfs/dbraw/zinc/93/83/16/510938316.db2.gz LDTYXMHYOLOTEG-TXRNYMQSSA-N -1 3 367.449 2.738 20 30 FFEDHM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000330879957 511025501 /nfs/dbraw/zinc/02/55/01/511025501.db2.gz YHLULAOZDDVQOA-HNNXBMFYSA-N -1 3 355.460 2.732 20 30 FFEDHM CN(C)[C@]1(CNC(=O)c2ccc(Br)cc2[O-])CCSC1 ZINC000331224781 511051469 /nfs/dbraw/zinc/05/14/69/511051469.db2.gz BJKJORVLAZRKSN-AWEZNQCLSA-N -1 3 359.289 2.897 20 30 FFEDHM CC1CCN(C[C@H](O)CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000331229697 511052429 /nfs/dbraw/zinc/05/24/29/511052429.db2.gz GMTMGFJAUNZCHY-CYBMUJFWSA-N -1 3 371.275 2.552 20 30 FFEDHM N#CCCSc1ccccc1[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC000290932430 511154351 /nfs/dbraw/zinc/15/43/51/511154351.db2.gz YUUVNFXUBNLQGA-UHFFFAOYSA-N -1 3 357.439 2.888 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1nc(C2CCCCC2)no1 ZINC000333376707 511223421 /nfs/dbraw/zinc/22/34/21/511223421.db2.gz DYGLZCGROJGQSE-LBPRGKRZSA-N -1 3 352.460 2.792 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000298286384 511235341 /nfs/dbraw/zinc/23/53/41/511235341.db2.gz DCSKAHIUBVUJQH-UHFFFAOYSA-N -1 3 371.344 2.717 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1([C@@H](C)CCO)CCC1 ZINC000271887988 511360015 /nfs/dbraw/zinc/36/00/15/511360015.db2.gz ODSAPAPHWGQODD-ZDUSSCGKSA-N -1 3 359.470 2.513 20 30 FFEDHM N#CCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000273254131 511520210 /nfs/dbraw/zinc/52/02/10/511520210.db2.gz OMHFWZCTKREXQA-UHFFFAOYSA-N -1 3 364.833 2.709 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cc(F)cc(F)c1 ZINC000299489882 511656758 /nfs/dbraw/zinc/65/67/58/511656758.db2.gz IDAHJZMWUAHZQS-UHFFFAOYSA-N -1 3 359.376 2.845 20 30 FFEDHM C=CCSCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000299642457 511666031 /nfs/dbraw/zinc/66/60/31/511666031.db2.gz DTTGWJCABFLHQJ-UHFFFAOYSA-N -1 3 358.467 2.521 20 30 FFEDHM CC(=O)Nc1ccc([O-])c(C(=O)NCCC2CCS(=O)(=O)CC2)c1 ZINC000328992862 511963819 /nfs/dbraw/zinc/96/38/19/511963819.db2.gz IUPSZVBWBNSDEO-UHFFFAOYSA-N -1 3 354.428 2.520 20 30 FFEDHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000329410839 512041235 /nfs/dbraw/zinc/04/12/35/512041235.db2.gz DCBPJRDIRIJKKP-INIZCTEOSA-N -1 3 370.453 2.531 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cccnc2)CCCC1 ZINC000329726697 512091248 /nfs/dbraw/zinc/09/12/48/512091248.db2.gz GQKBFOAOXXPIPL-UHFFFAOYSA-N -1 3 364.427 2.566 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2nccs2)CCCC1 ZINC000329742989 512093381 /nfs/dbraw/zinc/09/33/81/512093381.db2.gz PUEJHDVDDLYJSE-UHFFFAOYSA-N -1 3 370.456 2.627 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CCCC#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369719110 512571397 /nfs/dbraw/zinc/57/13/97/512571397.db2.gz SCUCIJRGHMAVOY-SNVBAGLBSA-N -1 3 354.819 2.674 20 30 FFEDHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(=O)N1CCC(F)(F)C1 ZINC000411355179 512594578 /nfs/dbraw/zinc/59/45/78/512594578.db2.gz PFNXBCKEWJJCPZ-SNVBAGLBSA-N -1 3 372.240 2.552 20 30 FFEDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000390398581 512907815 /nfs/dbraw/zinc/90/78/15/512907815.db2.gz RWODRGQMZSHLFM-ZDUSSCGKSA-N -1 3 350.465 2.893 20 30 FFEDHM C[C@@]1([N-]S(=O)(=O)c2ccc(C#N)s2)CCN(Cc2ccccc2)C1 ZINC000405961473 512973502 /nfs/dbraw/zinc/97/35/02/512973502.db2.gz OYCVRNMJODCDKA-QGZVFWFLSA-N -1 3 361.492 2.563 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000439670950 513158915 /nfs/dbraw/zinc/15/89/15/513158915.db2.gz GVVQGZNXZATJLA-KRWDZBQOSA-N -1 3 357.435 2.833 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000425131306 513423767 /nfs/dbraw/zinc/42/37/67/513423767.db2.gz PQNBOBYQJXWSEY-HNNXBMFYSA-N -1 3 365.433 2.912 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429648687 513432310 /nfs/dbraw/zinc/43/23/10/513432310.db2.gz JYIXWHAMWFXBNU-UHFFFAOYSA-N -1 3 363.368 2.758 20 30 FFEDHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451171815 513566783 /nfs/dbraw/zinc/56/67/83/513566783.db2.gz UATAFBAHMSMGKI-QGZVFWFLSA-N -1 3 360.410 2.867 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)s1 ZINC000435417140 513577226 /nfs/dbraw/zinc/57/72/26/513577226.db2.gz KUGXMLMUCXSEFE-JKSUJKDBSA-N -1 3 370.459 2.640 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@@H](Cc1cccc2ccccc21)C(=O)OCC ZINC000435436413 513586146 /nfs/dbraw/zinc/58/61/46/513586146.db2.gz FXISATGXFXBVLF-SFHVURJKSA-N -1 3 361.463 2.810 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000435596192 513630464 /nfs/dbraw/zinc/63/04/64/513630464.db2.gz XGQQKOIBJWTAOS-IUODEOHRSA-N -1 3 374.384 2.837 20 30 FFEDHM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416408506 513755590 /nfs/dbraw/zinc/75/55/90/513755590.db2.gz QLPFKXGNINDAED-QWHCGFSZSA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000416412187 513758945 /nfs/dbraw/zinc/75/89/45/513758945.db2.gz MFKZMXGFUPLLIQ-UHFFFAOYSA-N -1 3 357.151 2.551 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000436166778 513780231 /nfs/dbraw/zinc/78/02/31/513780231.db2.gz DRIAJADASKYATQ-MRXNPFEDSA-N -1 3 352.362 2.502 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442959521 513829012 /nfs/dbraw/zinc/82/90/12/513829012.db2.gz ZRLWOVKOTKXMGN-UHFFFAOYSA-N -1 3 369.878 2.887 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442959521 513829015 /nfs/dbraw/zinc/82/90/15/513829015.db2.gz ZRLWOVKOTKXMGN-UHFFFAOYSA-N -1 3 369.878 2.887 20 30 FFEDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443024719 513845037 /nfs/dbraw/zinc/84/50/37/513845037.db2.gz LBENHLWQHPWJAS-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)o1 ZINC000451580321 513846081 /nfs/dbraw/zinc/84/60/81/513846081.db2.gz NEIRFVGEYROKGH-UHFFFAOYSA-N -1 3 353.831 2.743 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(-n2cccn2)cc1 ZINC000443105456 513872242 /nfs/dbraw/zinc/87/22/42/513872242.db2.gz PNZLYNQWMGGXFE-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)Oc1ccccc1 ZINC000443121391 513878158 /nfs/dbraw/zinc/87/81/58/513878158.db2.gz DCOKVMYOLRTWEC-LBPRGKRZSA-N -1 3 350.827 2.957 20 30 FFEDHM CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)cn1C ZINC000416659055 513892974 /nfs/dbraw/zinc/89/29/74/513892974.db2.gz GYQFTNDFJSPNHN-MRXNPFEDSA-N -1 3 358.467 2.771 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)c(F)cc1F ZINC000448871040 513943778 /nfs/dbraw/zinc/94/37/78/513943778.db2.gz FULPHKHXIPDSQG-RFAUZJTJSA-N -1 3 357.382 2.605 20 30 FFEDHM Cc1cccc(NC(=O)C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1C#N ZINC000436691390 513945576 /nfs/dbraw/zinc/94/55/76/513945576.db2.gz JTEDAZRJQXZTQO-UHFFFAOYSA-N -1 3 359.389 2.564 20 30 FFEDHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443362487 513948261 /nfs/dbraw/zinc/94/82/61/513948261.db2.gz YMXBKRQQBHCNLO-BLLLJJGKSA-N -1 3 356.875 2.941 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1ccccc1F ZINC000443357746 513948913 /nfs/dbraw/zinc/94/89/13/513948913.db2.gz LSDVJTQRFDGMGM-CQSZACIVSA-N -1 3 366.389 2.972 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431645144 513954773 /nfs/dbraw/zinc/95/47/73/513954773.db2.gz NWXJKGOTBMPNON-OAHLLOKOSA-N -1 3 352.362 2.852 20 30 FFEDHM COc1ccc([C@H](C#N)N2CCN(C(=O)c3cccc(C)c3[O-])CC2)cc1 ZINC000436757109 513968212 /nfs/dbraw/zinc/96/82/12/513968212.db2.gz UBCJYYREXBRTGV-IBGZPJMESA-N -1 3 365.433 2.732 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000443506472 513982534 /nfs/dbraw/zinc/98/25/34/513982534.db2.gz FJFJRBMXHSULTB-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000451800417 513989702 /nfs/dbraw/zinc/98/97/02/513989702.db2.gz CMZUNBPQDPUEFQ-UHFFFAOYSA-N -1 3 352.225 2.841 20 30 FFEDHM CO[C@](C)(C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000451820710 514002632 /nfs/dbraw/zinc/00/26/32/514002632.db2.gz BFJOYLCDHBHACW-GOSISDBHSA-N -1 3 362.426 2.679 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1cc(Br)c(F)c(C(=O)OC)c1 ZINC000431916723 514038493 /nfs/dbraw/zinc/03/84/93/514038493.db2.gz PCLFMEMPPAJMQP-UHFFFAOYSA-N -1 3 366.208 2.693 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000416934045 514053483 /nfs/dbraw/zinc/05/34/83/514053483.db2.gz CMIPQEJYBCKWET-CQSZACIVSA-N -1 3 365.842 2.594 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cscc2C#N)cc1OC ZINC000432404106 514184711 /nfs/dbraw/zinc/18/47/11/514184711.db2.gz SZVNEPPGOSAMMO-UHFFFAOYSA-N -1 3 365.436 2.642 20 30 FFEDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000420724764 514260060 /nfs/dbraw/zinc/26/00/60/514260060.db2.gz LFDIWVPKGILMRK-WDEREUQCSA-N -1 3 373.272 2.557 20 30 FFEDHM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428235960 514429463 /nfs/dbraw/zinc/42/94/63/514429463.db2.gz FTNFMDXLLMSGLC-UHFFFAOYSA-N -1 3 353.403 2.594 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCCCOC1CCCCC1 ZINC000428264511 514436316 /nfs/dbraw/zinc/43/63/16/514436316.db2.gz DDJYPQMZHODAAW-UHFFFAOYSA-N -1 3 351.472 2.751 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)[n-]c21 ZINC000471039530 514729442 /nfs/dbraw/zinc/72/94/42/514729442.db2.gz VIQQXOHUUCEXQK-AWEZNQCLSA-N -1 3 373.372 2.542 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)nc21 ZINC000471039530 514729445 /nfs/dbraw/zinc/72/94/45/514729445.db2.gz VIQQXOHUUCEXQK-AWEZNQCLSA-N -1 3 373.372 2.542 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000461791161 514740337 /nfs/dbraw/zinc/74/03/37/514740337.db2.gz MOMXGMDHCAUEPI-CYBMUJFWSA-N -1 3 356.875 2.679 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c(Cl)c1 ZINC000461798713 514744475 /nfs/dbraw/zinc/74/44/75/514744475.db2.gz WKJJLZKJZIBQRA-CQSZACIVSA-N -1 3 356.875 2.679 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000489660733 514930144 /nfs/dbraw/zinc/93/01/44/514930144.db2.gz ORVXYLFMHMGEIU-ZDUSSCGKSA-N -1 3 374.388 2.799 20 30 FFEDHM COC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000471607577 514954175 /nfs/dbraw/zinc/95/41/75/514954175.db2.gz VVDXKSJZPMGINR-KRWDZBQOSA-N -1 3 367.449 2.582 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Oc1ccc(F)cc1 ZINC000476310003 514994289 /nfs/dbraw/zinc/99/42/89/514994289.db2.gz ULTXRTIUJXZXMS-AWEZNQCLSA-N -1 3 354.447 2.986 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000476339717 515010309 /nfs/dbraw/zinc/01/03/09/515010309.db2.gz OCMKSTOKRZENKI-MRXNPFEDSA-N -1 3 354.447 2.907 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC000489886155 515016182 /nfs/dbraw/zinc/01/61/82/515016182.db2.gz MEGMFFJRBXSHKV-OAHLLOKOSA-N -1 3 359.875 2.700 20 30 FFEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503477059 515046936 /nfs/dbraw/zinc/04/69/36/515046936.db2.gz KKWVHCWBROFXST-LBPRGKRZSA-N -1 3 356.856 2.594 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)c(Cl)c1 ZINC000503483335 515050783 /nfs/dbraw/zinc/05/07/83/515050783.db2.gz GXIPMQCXMFCBNP-UHFFFAOYSA-N -1 3 373.821 2.944 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000489990761 515060033 /nfs/dbraw/zinc/06/00/33/515060033.db2.gz GWJGBXCPGLZIFT-NSHDSACASA-N -1 3 373.381 2.960 20 30 FFEDHM C=CCOc1cccc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)c1 ZINC000476513088 515079690 /nfs/dbraw/zinc/07/96/90/515079690.db2.gz TXFDLVOEFVSDDK-JKSUJKDBSA-N -1 3 353.440 2.725 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1(CO)CCC1 ZINC000490072883 515091825 /nfs/dbraw/zinc/09/18/25/515091825.db2.gz OIUOLUHVVNIKJY-OAHLLOKOSA-N -1 3 356.875 2.677 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000476577510 515113229 /nfs/dbraw/zinc/11/32/29/515113229.db2.gz IRDHYPPNASQYSS-UHFFFAOYSA-N -1 3 353.357 2.862 20 30 FFEDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000462704853 515201110 /nfs/dbraw/zinc/20/11/10/515201110.db2.gz UVNFSIHTTAOCES-CHWSQXEVSA-N -1 3 362.373 2.813 20 30 FFEDHM N#Cc1cc(F)ccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000509525929 515217286 /nfs/dbraw/zinc/21/72/86/515217286.db2.gz JCKXMISOSQMDOE-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[nH][n-]1 ZINC000472487759 515289528 /nfs/dbraw/zinc/28/95/28/515289528.db2.gz VFDDMXVMHXENAI-KRWDZBQOSA-N -1 3 355.401 3.000 20 30 FFEDHM N#Cc1cccc(OC2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)c1 ZINC000459349398 515490787 /nfs/dbraw/zinc/49/07/87/515490787.db2.gz ZYVYTQIMBQORSP-UHFFFAOYSA-N -1 3 350.422 2.975 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)nc(C)n1 ZINC000505306283 515501191 /nfs/dbraw/zinc/50/11/91/515501191.db2.gz SJAAIBKPSZNVMK-JKIFEVAISA-N -1 3 365.437 2.592 20 30 FFEDHM CC[C@]([N-]S(=O)(=O)c1ccc(C#N)cc1C)(C(=O)OC)c1ccccc1 ZINC000510504082 515559082 /nfs/dbraw/zinc/55/90/82/515559082.db2.gz XKVVSBZLXMBNAX-LJQANCHMSA-N -1 3 372.446 2.624 20 30 FFEDHM C=C(CC)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000454853328 515790288 /nfs/dbraw/zinc/79/02/88/515790288.db2.gz KZDQTBZRVVZYLR-UHFFFAOYSA-N -1 3 357.451 2.990 20 30 FFEDHM Cc1cccn2c1ncc(C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1)c2=O ZINC000464460345 515834951 /nfs/dbraw/zinc/83/49/51/515834951.db2.gz KCWFVWKWFDQUTM-LBPRGKRZSA-N -1 3 372.306 2.907 20 30 FFEDHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1C)c1ccccc1 ZINC000506661927 515948189 /nfs/dbraw/zinc/94/81/89/515948189.db2.gz PQJNNOMEOYIEMD-INIZCTEOSA-N -1 3 358.419 2.565 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474372974 516017562 /nfs/dbraw/zinc/01/75/62/516017562.db2.gz GSRGIIRVHVMHJP-GFCCVEGCSA-N -1 3 363.266 2.594 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000479148824 516079743 /nfs/dbraw/zinc/07/97/43/516079743.db2.gz YVUCGUDJWLQYNL-MFKMUULPSA-N -1 3 358.261 2.595 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c(Cl)c1 ZINC000501380692 516084384 /nfs/dbraw/zinc/08/43/84/516084384.db2.gz GRBSFPPVIXQBLQ-GHMZBOCLSA-N -1 3 350.774 2.650 20 30 FFEDHM COC(=O)c1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1C ZINC000495299206 516130869 /nfs/dbraw/zinc/13/08/69/516130869.db2.gz MBIXYMGNYCQOOQ-NSHDSACASA-N -1 3 351.284 2.716 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nc[nH]n2)c1 ZINC000470236075 516180160 /nfs/dbraw/zinc/18/01/60/516180160.db2.gz CWJKXOUFCNJJLH-UHFFFAOYSA-N -1 3 357.370 2.592 20 30 FFEDHM N#Cc1cnc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c(Cl)c1 ZINC000512559189 516305560 /nfs/dbraw/zinc/30/55/60/516305560.db2.gz JRSCOYLWASNPOC-UHFFFAOYSA-N -1 3 356.748 2.707 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000497486005 516323659 /nfs/dbraw/zinc/32/36/59/516323659.db2.gz VUDJLTBPRIUGRP-UHFFFAOYSA-N -1 3 361.392 2.577 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000523529230 516496552 /nfs/dbraw/zinc/49/65/52/516496552.db2.gz JBJSGKCBGDJIMT-KBPBESRZSA-N -1 3 351.472 2.980 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000523529232 516496853 /nfs/dbraw/zinc/49/68/53/516496853.db2.gz JBJSGKCBGDJIMT-ZIAGYGMSSA-N -1 3 351.472 2.980 20 30 FFEDHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)CCC(C)(C)C#N)nc1C ZINC000554902554 516689391 /nfs/dbraw/zinc/68/93/91/516689391.db2.gz YNJWJNFDIVBAPL-LLVKDONJSA-N -1 3 373.500 2.549 20 30 FFEDHM N#CC(=C([O-])c1ccoc1CC(N)=O)c1nc2ccccc2n1C(F)F ZINC000513661508 516709902 /nfs/dbraw/zinc/70/99/02/516709902.db2.gz PIGITHSTMCOTBT-SNVBAGLBSA-N -1 3 358.304 2.542 20 30 FFEDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCO1 ZINC000540894786 516758802 /nfs/dbraw/zinc/75/88/02/516758802.db2.gz LCKZMHGKBZUBEV-ZBFHGGJFSA-N -1 3 354.447 2.959 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000548129264 516784448 /nfs/dbraw/zinc/78/44/48/516784448.db2.gz IBVGLMCASMDVPS-OAHLLOKOSA-N -1 3 370.858 2.612 20 30 FFEDHM Cc1ccc2c(CN3CCN(c4nccnc4C#N)C[C@H]3C)ccc([O-])c2n1 ZINC000514106754 516865914 /nfs/dbraw/zinc/86/59/14/516865914.db2.gz AVTBXZGCEHHTJK-OAHLLOKOSA-N -1 3 374.448 2.621 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccnc4c3nnn4C)sc2C1 ZINC000558670627 516876211 /nfs/dbraw/zinc/87/62/11/516876211.db2.gz ZFOGSOLKSITGGB-SECBINFHSA-N -1 3 352.423 2.674 20 30 FFEDHM CCc1cccc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1[O-] ZINC000536686492 516894676 /nfs/dbraw/zinc/89/46/76/516894676.db2.gz PJOVPKJLOZDLCF-HNNXBMFYSA-N -1 3 370.405 2.975 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CCOCC1 ZINC000514581465 516945262 /nfs/dbraw/zinc/94/52/62/516945262.db2.gz BWHFYOBUFIAMQG-UHFFFAOYSA-N -1 3 374.437 2.768 20 30 FFEDHM N#CC(=C([O-])c1ccccc1CN1CCOCC1)c1cnc2ccccc2n1 ZINC000558948655 517014696 /nfs/dbraw/zinc/01/46/96/517014696.db2.gz XEYOBNONLGBWAM-SFHVURJKSA-N -1 3 372.428 2.952 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000562550669 517186347 /nfs/dbraw/zinc/18/63/47/517186347.db2.gz IWABIETVNDTRNO-MNOVXSKESA-N -1 3 366.302 2.831 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nnn1Cc1ccncc1 ZINC000552324928 517199035 /nfs/dbraw/zinc/19/90/35/517199035.db2.gz MXAMZNJJSHKPOU-HNNXBMFYSA-N -1 3 371.404 2.705 20 30 FFEDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)CC2(C#N)CCCC2)c(Cl)c1 ZINC000545365164 517201844 /nfs/dbraw/zinc/20/18/44/517201844.db2.gz LKLVVAFOOLJLSY-UHFFFAOYSA-N -1 3 369.874 2.590 20 30 FFEDHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(C#N)cc3F)C2)c1 ZINC000520508990 517415824 /nfs/dbraw/zinc/41/58/24/517415824.db2.gz WLXJTVVZOVFUAF-SHTZXODSSA-N -1 3 360.410 2.930 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc4nn[n-]c43)ccc21 ZINC000527058941 517478486 /nfs/dbraw/zinc/47/84/86/517478486.db2.gz XYBRAILCTJUHEX-UHFFFAOYSA-N -1 3 374.404 2.793 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc4[n-]nnc43)ccc21 ZINC000527058941 517478491 /nfs/dbraw/zinc/47/84/91/517478491.db2.gz XYBRAILCTJUHEX-UHFFFAOYSA-N -1 3 374.404 2.793 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc4n[n-]nc43)ccc21 ZINC000527058941 517478500 /nfs/dbraw/zinc/47/85/00/517478500.db2.gz XYBRAILCTJUHEX-UHFFFAOYSA-N -1 3 374.404 2.793 20 30 FFEDHM N#Cc1ccc(C2(NC(=O)c3ccc4[nH][n-]c(=O)c4c3)CCOCC2)cc1 ZINC000530061780 517532026 /nfs/dbraw/zinc/53/20/26/517532026.db2.gz YBPUJPJILXPOMD-UHFFFAOYSA-N -1 3 362.389 2.576 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c([N+](=O)[O-])c1 ZINC000560059802 517556474 /nfs/dbraw/zinc/55/64/74/517556474.db2.gz WRELNVFSVZFKCL-UHFFFAOYSA-N -1 3 357.391 2.743 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000530157921 517600577 /nfs/dbraw/zinc/60/05/77/517600577.db2.gz YNXAHTDTJKEFLU-ZDUSSCGKSA-N -1 3 364.345 2.564 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000542799352 517750216 /nfs/dbraw/zinc/75/02/16/517750216.db2.gz MVWHHDGELYABFV-HNNXBMFYSA-N -1 3 370.858 2.612 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c([O-])c1 ZINC000538871267 517818800 /nfs/dbraw/zinc/81/88/00/517818800.db2.gz XSQPEZJQUGGBNW-LBPRGKRZSA-N -1 3 354.362 2.847 20 30 FFEDHM CN1CCC(Oc2ccc(CNC(=O)c3ccc(C#N)c([O-])c3)cc2)CC1 ZINC000557182704 517902529 /nfs/dbraw/zinc/90/25/29/517902529.db2.gz ZWKJQHRBIWMXAS-UHFFFAOYSA-N -1 3 365.433 2.667 20 30 FFEDHM CCc1nc2cc(C[N-]S(=O)(=O)c3ccc(C#N)o3)ccc2n1C1CC1 ZINC000553881200 517950650 /nfs/dbraw/zinc/95/06/50/517950650.db2.gz MUTFVOZGKZUDJB-UHFFFAOYSA-N -1 3 370.434 2.877 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000539339923 518000177 /nfs/dbraw/zinc/00/01/77/518000177.db2.gz QAXIHJWQYBBWEO-UHFFFAOYSA-N -1 3 362.389 2.957 20 30 FFEDHM COC1CCC(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000543490224 518116872 /nfs/dbraw/zinc/11/68/72/518116872.db2.gz DMHARVFNYHRDRG-UHFFFAOYSA-N -1 3 359.470 2.920 20 30 FFEDHM CC1(C)CN(Cc2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000563830403 518140672 /nfs/dbraw/zinc/14/06/72/518140672.db2.gz ZMQGBQYEQCRGDI-QGZVFWFLSA-N -1 3 373.478 2.730 20 30 FFEDHM N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCc2nc[n-]c(=O)c2C1 ZINC000581554672 518344273 /nfs/dbraw/zinc/34/42/73/518344273.db2.gz TVXOGBONLKTGER-UHFFFAOYSA-N -1 3 357.295 2.582 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)CC(C)(C)CC#N)CCCCCC2)no1 ZINC000579436069 518676660 /nfs/dbraw/zinc/67/66/60/518676660.db2.gz UXFJEDZATVDDDS-UHFFFAOYSA-N -1 3 354.476 2.787 20 30 FFEDHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000571379187 519065307 /nfs/dbraw/zinc/06/53/07/519065307.db2.gz OONUKCMDCBQGGK-UHFFFAOYSA-N -1 3 354.447 2.959 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000568497939 519069777 /nfs/dbraw/zinc/06/97/77/519069777.db2.gz YLWMMAKKBJDDBJ-ZJUUUORDSA-N -1 3 353.774 2.563 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1OCCc2sccc21 ZINC000589935284 519108151 /nfs/dbraw/zinc/10/81/51/519108151.db2.gz QJYZVTLDTUSMJS-QFYYESIMSA-N -1 3 366.439 2.740 20 30 FFEDHM COc1cc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc(OC)c1[O-] ZINC000568820997 519228629 /nfs/dbraw/zinc/22/86/29/519228629.db2.gz WAGOUBPKNRFSGG-UHFFFAOYSA-N -1 3 370.405 2.570 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000590749105 519347886 /nfs/dbraw/zinc/34/78/86/519347886.db2.gz CXKOVKYKRNDLCL-UHFFFAOYSA-N -1 3 352.460 2.576 20 30 FFEDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000583712000 519392743 /nfs/dbraw/zinc/39/27/43/519392743.db2.gz YERXWJCTRCSIFJ-HNNXBMFYSA-N -1 3 350.827 2.532 20 30 FFEDHM CN(C(=O)c1cc([O-])cc(C#N)c1)C1CCN(CCC(F)(F)F)CC1 ZINC000590889405 519421890 /nfs/dbraw/zinc/42/18/90/519421890.db2.gz CFCDVLNMBOLZLT-UHFFFAOYSA-N -1 3 355.360 2.753 20 30 FFEDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Cl)cc2CC#N)CC1 ZINC000584040441 519562040 /nfs/dbraw/zinc/56/20/40/519562040.db2.gz WJRKWIUTVTUDIV-UHFFFAOYSA-N -1 3 356.831 2.634 20 30 FFEDHM C=CCC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)OCC ZINC000599996298 519992369 /nfs/dbraw/zinc/99/23/69/519992369.db2.gz JHRHBRNLLMSSEZ-ZDUSSCGKSA-N -1 3 356.216 2.782 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)c1 ZINC000594491023 520000360 /nfs/dbraw/zinc/00/03/60/520000360.db2.gz MFZVKSDMGVGENV-HNNXBMFYSA-N -1 3 352.431 2.609 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2cc3c(cn2)OCCO3)c(C#N)c1C ZINC000591842099 520060081 /nfs/dbraw/zinc/06/00/81/520060081.db2.gz JWIRODZJIUNFMB-UHFFFAOYSA-N -1 3 373.390 2.523 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2cncc(C(=O)OC)c2)c(C#N)c1C ZINC000612653854 520073535 /nfs/dbraw/zinc/07/35/35/520073535.db2.gz AICOJORMZNMDFR-UHFFFAOYSA-N -1 3 373.390 2.539 20 30 FFEDHM N#C[C@]1([N-]S(=O)(=O)CCc2ccc(F)cc2)CCc2ccccc2C1 ZINC000594722251 520111967 /nfs/dbraw/zinc/11/19/67/520111967.db2.gz HCMPMWKBSXKEDC-IBGZPJMESA-N -1 3 358.438 2.739 20 30 FFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594724811 520114492 /nfs/dbraw/zinc/11/44/92/520114492.db2.gz XZXNUENKVPUXGC-SJCJKPOMSA-N -1 3 374.422 2.894 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC(=O)OC(C)(C)C ZINC000594753154 520135036 /nfs/dbraw/zinc/13/50/36/520135036.db2.gz JIGQEIFXPRQARI-UHFFFAOYSA-N -1 3 366.464 2.701 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)CC1 ZINC000594764867 520143654 /nfs/dbraw/zinc/14/36/54/520143654.db2.gz CVIRREKCLOCHNG-XBXGTLAGSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@]1(C)CCO[C@H]1C ZINC000594773347 520148918 /nfs/dbraw/zinc/14/89/18/520148918.db2.gz RBSQZAQOHJVHKA-ZBEGNZNMSA-N -1 3 350.465 2.927 20 30 FFEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C(C)(C)c3cccc(C#N)c3)cn21 ZINC000594808554 520167681 /nfs/dbraw/zinc/16/76/81/520167681.db2.gz MNPIGVQOJHPAIA-ZDUSSCGKSA-N -1 3 358.467 2.866 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OC(C)(C)C ZINC000592101793 520185777 /nfs/dbraw/zinc/18/57/77/520185777.db2.gz SGIHPNNZTVRZHP-LBPRGKRZSA-N -1 3 358.847 2.610 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)s1 ZINC000594869966 520200392 /nfs/dbraw/zinc/20/03/92/520200392.db2.gz WJMYKJWJLCNEHE-GFCCVEGCSA-N -1 3 369.512 2.698 20 30 FFEDHM COc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c([O-])c1 ZINC000598252370 520521280 /nfs/dbraw/zinc/52/12/80/520521280.db2.gz RQZMUULRLWHMPF-UHFFFAOYSA-N -1 3 352.390 2.708 20 30 FFEDHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610265189 520611644 /nfs/dbraw/zinc/61/16/44/520611644.db2.gz GGXBILWDXVVRLA-QZTJIDSGSA-N -1 3 360.410 2.714 20 30 FFEDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000610339449 520642572 /nfs/dbraw/zinc/64/25/72/520642572.db2.gz VVHMHMZBFBVHIE-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM N#Cc1csc(CN[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000593009479 520680834 /nfs/dbraw/zinc/68/08/34/520680834.db2.gz CDTFVFPQIOHQED-IBGZPJMESA-N -1 3 355.463 2.829 20 30 FFEDHM C=CCOCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000610491126 520713936 /nfs/dbraw/zinc/71/39/36/520713936.db2.gz STLRFOWUFIJJMZ-UHFFFAOYSA-N -1 3 361.179 2.918 20 30 FFEDHM COCCN(CCC#N)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000610540753 520732013 /nfs/dbraw/zinc/73/20/13/520732013.db2.gz GACGTMMZWJZIJB-UHFFFAOYSA-N -1 3 355.398 2.552 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)cn1CC1CC1 ZINC000596043651 520874089 /nfs/dbraw/zinc/87/40/89/520874089.db2.gz BIHCQMKELZAYPY-CXAGYDPISA-N -1 3 350.488 2.606 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C#N)cs3)sc2C1 ZINC000598888286 520903062 /nfs/dbraw/zinc/90/30/62/520903062.db2.gz IBRCUJOUFFXUAC-UHFFFAOYSA-N -1 3 356.432 2.710 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2c(F)ccc(F)c21 ZINC000593327873 520913142 /nfs/dbraw/zinc/91/31/42/520913142.db2.gz QYGWLMUCQFVNEA-UHFFFAOYSA-N -1 3 373.359 2.912 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)nc2)nc(C)n1 ZINC000593450180 520999332 /nfs/dbraw/zinc/99/93/32/520999332.db2.gz GXZSYDMOPBIJNV-CQSZACIVSA-N -1 3 352.394 2.934 20 30 FFEDHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593579489 521090103 /nfs/dbraw/zinc/09/01/03/521090103.db2.gz ZUBBJFLTLPOVCT-NSHDSACASA-N -1 3 352.485 2.919 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000593631747 521120286 /nfs/dbraw/zinc/12/02/86/521120286.db2.gz NINYYFTZFILRFN-INIZCTEOSA-N -1 3 354.859 2.695 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cncc(C#N)c2)c2cc(F)ccc2O1 ZINC000593636937 521123637 /nfs/dbraw/zinc/12/36/37/521123637.db2.gz PFVBCRJERHYAJN-OAHLLOKOSA-N -1 3 361.398 2.673 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000618717489 521197327 /nfs/dbraw/zinc/19/73/27/521197327.db2.gz YYJMMPYIBRBJBT-AWEZNQCLSA-N -1 3 367.352 2.938 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000611539231 521209474 /nfs/dbraw/zinc/20/94/74/521209474.db2.gz GMIYHBOUKXNCSU-DFBGVHRSSA-N -1 3 354.859 2.694 20 30 FFEDHM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000593847642 521245438 /nfs/dbraw/zinc/24/54/38/521245438.db2.gz DKLKOHVZXNJQAU-UHFFFAOYSA-N -1 3 374.404 2.903 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)CCCCOc2cccc(C#N)c2)[n-]1 ZINC000618919681 521296716 /nfs/dbraw/zinc/29/67/16/521296716.db2.gz NUTSNOGJIMYUHP-UHFFFAOYSA-N -1 3 356.382 2.646 20 30 FFEDHM CCOC(=O)c1nc(NC(=O)CCCCOc2cccc(C#N)c2)c[n-]1 ZINC000618919681 521296720 /nfs/dbraw/zinc/29/67/20/521296720.db2.gz NUTSNOGJIMYUHP-UHFFFAOYSA-N -1 3 356.382 2.646 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3cc(F)cc(F)c32)c(Cl)c1 ZINC000612173532 521519200 /nfs/dbraw/zinc/51/92/00/521519200.db2.gz YSJUJBWFYRCRDA-LBPRGKRZSA-N -1 3 370.764 2.902 20 30 FFEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000619433308 521563878 /nfs/dbraw/zinc/56/38/78/521563878.db2.gz KLTKOGYIDYLEGX-OAHLLOKOSA-N -1 3 355.360 2.717 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000619463836 521581869 /nfs/dbraw/zinc/58/18/69/521581869.db2.gz MDWWCAIECIIPDR-UHFFFAOYSA-N -1 3 359.382 2.577 20 30 FFEDHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000619547307 521761994 /nfs/dbraw/zinc/76/19/94/521761994.db2.gz FOCWDOWGXUKGMW-UHFFFAOYSA-N -1 3 350.465 2.884 20 30 FFEDHM C=C(C)Cn1c(-c2ccoc2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634372998 523379036 /nfs/dbraw/zinc/37/90/36/523379036.db2.gz JLNZCGZYWXEGMB-UHFFFAOYSA-N -1 3 367.457 2.743 20 30 FFEDHM CCN(CC)[C@H](CNC(=O)N=c1[n-]n(C)cc1C#N)c1cccc(OC)c1 ZINC000610563376 554530073 /nfs/dbraw/zinc/53/00/73/554530073.db2.gz BIAAICAAUXSVRM-QGZVFWFLSA-N -1 3 370.457 2.505 20 30 FFEDHM CCCN(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736473199 598926235 /nfs/dbraw/zinc/92/62/35/598926235.db2.gz ZGXMVSRAIHDRNM-UHFFFAOYSA-N -1 3 361.409 2.837 20 30 FFEDHM CCCN(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736473199 598926236 /nfs/dbraw/zinc/92/62/36/598926236.db2.gz ZGXMVSRAIHDRNM-UHFFFAOYSA-N -1 3 361.409 2.837 20 30 FFEDHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737140458 598926290 /nfs/dbraw/zinc/92/62/90/598926290.db2.gz DIJHSRGFPZNFOJ-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737140458 598926291 /nfs/dbraw/zinc/92/62/91/598926291.db2.gz DIJHSRGFPZNFOJ-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(-n3cccc3)cc2)ccc1-c1nnn[n-]1 ZINC000737708421 598926750 /nfs/dbraw/zinc/92/67/50/598926750.db2.gz FUYXOJTWRSSHLR-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(-n3cccc3)cc2)ccc1-c1nn[n-]n1 ZINC000737708421 598926751 /nfs/dbraw/zinc/92/67/51/598926751.db2.gz FUYXOJTWRSSHLR-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735380533 599094630 /nfs/dbraw/zinc/09/46/30/599094630.db2.gz IQYXOWIWPZOFES-YFHOEESVSA-N -1 3 363.352 2.670 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735380533 599094633 /nfs/dbraw/zinc/09/46/33/599094633.db2.gz IQYXOWIWPZOFES-YFHOEESVSA-N -1 3 363.352 2.670 20 30 FFEDHM O=C1C(=Cc2cccc3c2OCCO3)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504090 599113978 /nfs/dbraw/zinc/11/39/78/599113978.db2.gz LYFIJTHWUVRQGJ-ACCUITESSA-N -1 3 360.373 2.850 20 30 FFEDHM O=C1C(=Cc2cccc3c2OCCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504090 599113979 /nfs/dbraw/zinc/11/39/79/599113979.db2.gz LYFIJTHWUVRQGJ-ACCUITESSA-N -1 3 360.373 2.850 20 30 FFEDHM Cc1nn(C)c2ncc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)cc12 ZINC000822497043 599116696 /nfs/dbraw/zinc/11/66/96/599116696.db2.gz WWTQKLSQZVRDHK-VGOFMYFVSA-N -1 3 371.404 2.669 20 30 FFEDHM Cc1nn(C)c2ncc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)cc12 ZINC000822497043 599116699 /nfs/dbraw/zinc/11/66/99/599116699.db2.gz WWTQKLSQZVRDHK-VGOFMYFVSA-N -1 3 371.404 2.669 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000737065791 599150245 /nfs/dbraw/zinc/15/02/45/599150245.db2.gz OIHTZVYZDXKGFB-QPJJXVBHSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000737065791 599150247 /nfs/dbraw/zinc/15/02/47/599150247.db2.gz OIHTZVYZDXKGFB-QPJJXVBHSA-N -1 3 366.377 2.789 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(O)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202865 599157453 /nfs/dbraw/zinc/15/74/53/599157453.db2.gz PLUZZNHVKZSEAE-WCIBSUBMSA-N -1 3 372.388 2.963 20 30 FFEDHM N#CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737695095 599201107 /nfs/dbraw/zinc/20/11/07/599201107.db2.gz JSZHJQQDIUKBKF-UHFFFAOYSA-N -1 3 354.757 2.566 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000822829619 599250455 /nfs/dbraw/zinc/25/04/55/599250455.db2.gz AJUOKDZCLMZBSJ-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000822829619 599250457 /nfs/dbraw/zinc/25/04/57/599250457.db2.gz AJUOKDZCLMZBSJ-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201703 598377135 /nfs/dbraw/zinc/37/71/35/598377135.db2.gz HNRMXAIPIOLAGQ-RMKNXTFCSA-N -1 3 364.365 2.727 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201703 598377137 /nfs/dbraw/zinc/37/71/37/598377137.db2.gz HNRMXAIPIOLAGQ-RMKNXTFCSA-N -1 3 364.365 2.727 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737011527 598419623 /nfs/dbraw/zinc/41/96/23/598419623.db2.gz VSXNRCBRYUGAIG-JXMROGBWSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737011527 598419625 /nfs/dbraw/zinc/41/96/25/598419625.db2.gz VSXNRCBRYUGAIG-JXMROGBWSA-N -1 3 350.378 2.788 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735503758 598665664 /nfs/dbraw/zinc/66/56/64/598665664.db2.gz LYYRUDOXJYEGHK-ZDUSSCGKSA-N -1 3 362.393 2.891 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735503758 598665665 /nfs/dbraw/zinc/66/56/65/598665665.db2.gz LYYRUDOXJYEGHK-ZDUSSCGKSA-N -1 3 362.393 2.891 20 30 FFEDHM C=CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000735402733 598730114 /nfs/dbraw/zinc/73/01/14/598730114.db2.gz IODZZGQOKSAXBS-UHFFFAOYSA-N -1 3 364.356 2.898 20 30 FFEDHM C=CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000735402733 598730115 /nfs/dbraw/zinc/73/01/15/598730115.db2.gz IODZZGQOKSAXBS-UHFFFAOYSA-N -1 3 364.356 2.898 20 30 FFEDHM N#Cc1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000737718280 598756245 /nfs/dbraw/zinc/75/62/45/598756245.db2.gz NGCMYASGJDVZQR-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM Clc1nc2ccccn2c1C=NOCc1ccc(-c2nnn[n-]2)cc1 ZINC000737583383 599476204 /nfs/dbraw/zinc/47/62/04/599476204.db2.gz JZJSAPQUZVXHNR-UHFFFAOYSA-N -1 3 353.773 2.719 20 30 FFEDHM Clc1nc2ccccn2c1C=NOCc1ccc(-c2nn[n-]n2)cc1 ZINC000737583383 599476206 /nfs/dbraw/zinc/47/62/06/599476206.db2.gz JZJSAPQUZVXHNR-UHFFFAOYSA-N -1 3 353.773 2.719 20 30 FFEDHM C[C@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735503025 599494340 /nfs/dbraw/zinc/49/43/40/599494340.db2.gz FSBNQQIJUGUMTQ-LLVKDONJSA-N -1 3 366.356 2.683 20 30 FFEDHM C[C@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735503025 599494342 /nfs/dbraw/zinc/49/43/42/599494342.db2.gz FSBNQQIJUGUMTQ-LLVKDONJSA-N -1 3 366.356 2.683 20 30 FFEDHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000821347540 599630998 /nfs/dbraw/zinc/63/09/98/599630998.db2.gz XMXAKSSUDYACIV-VIFPVBQESA-N -1 3 369.410 2.545 20 30 FFEDHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000821347540 599630999 /nfs/dbraw/zinc/63/09/99/599630999.db2.gz XMXAKSSUDYACIV-VIFPVBQESA-N -1 3 369.410 2.545 20 30 FFEDHM C[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C#N)cc1 ZINC000824498459 607392613 /nfs/dbraw/zinc/39/26/13/607392613.db2.gz HNTNAAIRWUHTOP-ZDUSSCGKSA-N -1 3 373.420 2.788 20 30 FFEDHM C[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C#N)cc1 ZINC000824498459 607392615 /nfs/dbraw/zinc/39/26/15/607392615.db2.gz HNTNAAIRWUHTOP-ZDUSSCGKSA-N -1 3 373.420 2.788 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC000736107552 600024321 /nfs/dbraw/zinc/02/43/21/600024321.db2.gz YGSRLIFJOVWPNA-UHFFFAOYSA-N -1 3 372.469 2.757 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826257158 607428879 /nfs/dbraw/zinc/42/88/79/607428879.db2.gz PZOMLASTLCLECV-UHFFFAOYSA-N -1 3 350.407 2.849 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826257158 607428881 /nfs/dbraw/zinc/42/88/81/607428881.db2.gz PZOMLASTLCLECV-UHFFFAOYSA-N -1 3 350.407 2.849 20 30 FFEDHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826316189 607432315 /nfs/dbraw/zinc/43/23/15/607432315.db2.gz GUKKKORJAXPLAI-UONOGXRCSA-N -1 3 350.407 2.851 20 30 FFEDHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826316189 607432317 /nfs/dbraw/zinc/43/23/17/607432317.db2.gz GUKKKORJAXPLAI-UONOGXRCSA-N -1 3 350.407 2.851 20 30 FFEDHM N#Cc1ccc([C@@H](NCc2ccc(N3CCCCC3=O)cc2)C(=O)[O-])cc1 ZINC000739105940 600595994 /nfs/dbraw/zinc/59/59/94/600595994.db2.gz JTQBCBLQVWFKGM-HXUWFJFHSA-N -1 3 363.417 2.991 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)CC1 ZINC000738485560 602679343 /nfs/dbraw/zinc/67/93/43/602679343.db2.gz KPYRFQKRNYSYLC-UHFFFAOYSA-N -1 3 362.430 2.947 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739543049 603160992 /nfs/dbraw/zinc/16/09/92/603160992.db2.gz VMBUHBNGVOLPFZ-CQSZACIVSA-N -1 3 359.426 2.895 20 30 FFEDHM C=C(C)[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)OCC ZINC000833367677 604565937 /nfs/dbraw/zinc/56/59/37/604565937.db2.gz QTJHBJHBSMBZDN-RXVVDRJESA-N -1 3 374.481 2.593 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000833369376 604982994 /nfs/dbraw/zinc/98/29/94/604982994.db2.gz TURZBRBPBAKJPA-OAHLLOKOSA-N -1 3 351.491 2.559 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824035013 607731521 /nfs/dbraw/zinc/73/15/21/607731521.db2.gz RLRILHJRTJTELP-SNVBAGLBSA-N -1 3 353.411 2.699 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824035013 607731523 /nfs/dbraw/zinc/73/15/23/607731523.db2.gz RLRILHJRTJTELP-SNVBAGLBSA-N -1 3 353.411 2.699 20 30 FFEDHM Cc1oc(NC(=O)CN[C@@]2(CNC(=O)[O-])CCCC[C@@H]2C)c(C#N)c1C ZINC000833934430 605763310 /nfs/dbraw/zinc/76/33/10/605763310.db2.gz JZGQLGQYWBRHGB-BBATYDOGSA-N -1 3 362.430 2.513 20 30 FFEDHM C=CCc1cc(CNc2ccc(-c3nnn[n-]3)nc2)cc(OC)c1OC ZINC000819759533 606062967 /nfs/dbraw/zinc/06/29/67/606062967.db2.gz YZWIYUXETQVBGR-UHFFFAOYSA-N -1 3 352.398 2.620 20 30 FFEDHM C=CCc1cc(CNc2ccc(-c3nn[n-]n3)nc2)cc(OC)c1OC ZINC000819759533 606062971 /nfs/dbraw/zinc/06/29/71/606062971.db2.gz YZWIYUXETQVBGR-UHFFFAOYSA-N -1 3 352.398 2.620 20 30 FFEDHM N#CCCN(CCCOc1ccc(-c2nn[n-]n2)cc1)Cc1ccco1 ZINC000822810029 606191470 /nfs/dbraw/zinc/19/14/70/606191470.db2.gz AAOJFGHKRKCWAL-UHFFFAOYSA-N -1 3 352.398 2.644 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000822254730 606204486 /nfs/dbraw/zinc/20/44/86/606204486.db2.gz PUNKKPCSIMAQMX-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000822254730 606204489 /nfs/dbraw/zinc/20/44/89/606204489.db2.gz PUNKKPCSIMAQMX-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000821708393 606305864 /nfs/dbraw/zinc/30/58/64/606305864.db2.gz OPFIATJWATZNRD-YHYXMXQVSA-N -1 3 354.391 2.904 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000821708393 606305867 /nfs/dbraw/zinc/30/58/67/606305867.db2.gz OPFIATJWATZNRD-YHYXMXQVSA-N -1 3 354.391 2.904 20 30 FFEDHM C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820554969 606328626 /nfs/dbraw/zinc/32/86/26/606328626.db2.gz CKABGKROOGKSEH-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820554969 606328628 /nfs/dbraw/zinc/32/86/28/606328628.db2.gz CKABGKROOGKSEH-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000822923229 606389901 /nfs/dbraw/zinc/38/99/01/606389901.db2.gz OREKAKHLRMGEQL-VQHVLOKHSA-N -1 3 365.418 2.951 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822801644 606448793 /nfs/dbraw/zinc/44/87/93/606448793.db2.gz LOVJIGSNGWZIJN-MOPGFXCFSA-N -1 3 372.432 2.708 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822801644 606448795 /nfs/dbraw/zinc/44/87/95/606448795.db2.gz LOVJIGSNGWZIJN-MOPGFXCFSA-N -1 3 372.432 2.708 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821110327 606492047 /nfs/dbraw/zinc/49/20/47/606492047.db2.gz ZUOMLPXHLLMHPP-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821110327 606492048 /nfs/dbraw/zinc/49/20/48/606492048.db2.gz ZUOMLPXHLLMHPP-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM Cn1cc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2ccccc21 ZINC000822674295 606680946 /nfs/dbraw/zinc/68/09/46/606680946.db2.gz PXQNLOUVHJVJPN-UHFFFAOYSA-N -1 3 371.404 2.801 20 30 FFEDHM Cn1cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2ccccc21 ZINC000822674295 606680947 /nfs/dbraw/zinc/68/09/47/606680947.db2.gz PXQNLOUVHJVJPN-UHFFFAOYSA-N -1 3 371.404 2.801 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1CCSCC1 ZINC000819744101 606800107 /nfs/dbraw/zinc/80/01/07/606800107.db2.gz WHAYKQKYIAPNGT-UHFFFAOYSA-N -1 3 357.483 2.915 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1CCSCC1 ZINC000819744101 606800109 /nfs/dbraw/zinc/80/01/09/606800109.db2.gz WHAYKQKYIAPNGT-UHFFFAOYSA-N -1 3 357.483 2.915 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000821850221 606836137 /nfs/dbraw/zinc/83/61/37/606836137.db2.gz ZQKIGVVDKZUZTO-CSKARUKUSA-N -1 3 354.391 2.986 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(F)ccc1F ZINC000822936730 606857759 /nfs/dbraw/zinc/85/77/59/606857759.db2.gz XLPAAJKYMJMERB-HYXAFXHYSA-N -1 3 352.304 2.689 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(F)ccc1F ZINC000822936730 606857760 /nfs/dbraw/zinc/85/77/60/606857760.db2.gz XLPAAJKYMJMERB-HYXAFXHYSA-N -1 3 352.304 2.689 20 30 FFEDHM CN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1C#N ZINC000821570857 606959308 /nfs/dbraw/zinc/95/93/08/606959308.db2.gz OFHFFQASLOHDRK-UHFFFAOYSA-N -1 3 352.785 2.597 20 30 FFEDHM CN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1C#N ZINC000821570857 606959310 /nfs/dbraw/zinc/95/93/10/606959310.db2.gz OFHFFQASLOHDRK-UHFFFAOYSA-N -1 3 352.785 2.597 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822830201 607195685 /nfs/dbraw/zinc/19/56/85/607195685.db2.gz WXVXUUPKGVJJMG-UHFFFAOYSA-N -1 3 353.773 2.713 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822830201 607195686 /nfs/dbraw/zinc/19/56/86/607195686.db2.gz WXVXUUPKGVJJMG-UHFFFAOYSA-N -1 3 353.773 2.713 20 30 FFEDHM Cc1ccc(C)c(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826285326 607881982 /nfs/dbraw/zinc/88/19/82/607881982.db2.gz WHIAIOYGAWTKFF-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM Cc1ccc(C)c(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826285326 607881983 /nfs/dbraw/zinc/88/19/83/607881983.db2.gz WHIAIOYGAWTKFF-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM COc1cc2c(c(C=NNc3ccc(-c4nn[n-]n4)cc3)c1)O[C@H](C)C2 ZINC000826178522 607886316 /nfs/dbraw/zinc/88/63/16/607886316.db2.gz BANKBNWHWOAGTG-LLVKDONJSA-N -1 3 350.382 2.645 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC)OCC ZINC000823873462 607921253 /nfs/dbraw/zinc/92/12/53/607921253.db2.gz MJAMZICUHQSHKZ-GFCCVEGCSA-N -1 3 366.805 2.805 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC)OCC ZINC000823873462 607921254 /nfs/dbraw/zinc/92/12/54/607921254.db2.gz MJAMZICUHQSHKZ-GFCCVEGCSA-N -1 3 366.805 2.805 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823838261 607960616 /nfs/dbraw/zinc/96/06/16/607960616.db2.gz MXTWFJQAOQUFJY-MRXNPFEDSA-N -1 3 350.357 2.892 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823838261 607960617 /nfs/dbraw/zinc/96/06/17/607960617.db2.gz MXTWFJQAOQUFJY-MRXNPFEDSA-N -1 3 350.357 2.892 20 30 FFEDHM C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824714613 608028582 /nfs/dbraw/zinc/02/85/82/608028582.db2.gz OPYDZKLNGSFLIK-ZDUSSCGKSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824714613 608028583 /nfs/dbraw/zinc/02/85/83/608028583.db2.gz OPYDZKLNGSFLIK-ZDUSSCGKSA-N -1 3 363.377 2.616 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccc3[nH]ccc3c2)ccc1-c1nnn[n-]1 ZINC000826384332 608308710 /nfs/dbraw/zinc/30/87/10/608308710.db2.gz RAHLFJVLQGEYQG-KXFIGUGUSA-N -1 3 355.361 2.872 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccc3[nH]ccc3c2)ccc1-c1nn[n-]n1 ZINC000826384332 608308712 /nfs/dbraw/zinc/30/87/12/608308712.db2.gz RAHLFJVLQGEYQG-KXFIGUGUSA-N -1 3 355.361 2.872 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000826174228 608324559 /nfs/dbraw/zinc/32/45/59/608324559.db2.gz OHLDFXIYBNNURI-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000826174228 608324561 /nfs/dbraw/zinc/32/45/61/608324561.db2.gz OHLDFXIYBNNURI-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM N#Cc1ccc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)nn1 ZINC000826385334 608421445 /nfs/dbraw/zinc/42/14/45/608421445.db2.gz HSNFRNFGHKBXCG-UHFFFAOYSA-N -1 3 360.406 2.869 20 30 FFEDHM C=CCOc1cccnc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823931700 608474034 /nfs/dbraw/zinc/47/40/34/608474034.db2.gz DGUPGQVFXATOGA-GFCCVEGCSA-N -1 3 351.366 2.745 20 30 FFEDHM C=CCOc1cccnc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823931700 608474035 /nfs/dbraw/zinc/47/40/35/608474035.db2.gz DGUPGQVFXATOGA-GFCCVEGCSA-N -1 3 351.366 2.745 20 30 FFEDHM C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824633333 608481079 /nfs/dbraw/zinc/48/10/79/608481079.db2.gz LBBDFONZJGPWRS-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824633333 608481080 /nfs/dbraw/zinc/48/10/80/608481080.db2.gz LBBDFONZJGPWRS-LBPRGKRZSA-N -1 3 372.392 2.639 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000823910159 608492633 /nfs/dbraw/zinc/49/26/33/608492633.db2.gz XZIRENBAQMLISW-ZIAGYGMSSA-N -1 3 370.457 2.520 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000823910159 608492634 /nfs/dbraw/zinc/49/26/34/608492634.db2.gz XZIRENBAQMLISW-ZIAGYGMSSA-N -1 3 370.457 2.520 20 30 FFEDHM Cc1nc2c(s1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCC2 ZINC000826327956 608535834 /nfs/dbraw/zinc/53/58/34/608535834.db2.gz ASPSYVSLFMFPGK-UHFFFAOYSA-N -1 3 360.834 2.833 20 30 FFEDHM Cc1nc2c(s1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCC2 ZINC000826327956 608535836 /nfs/dbraw/zinc/53/58/36/608535836.db2.gz ASPSYVSLFMFPGK-UHFFFAOYSA-N -1 3 360.834 2.833 20 30 FFEDHM C#CCCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000823844586 608538232 /nfs/dbraw/zinc/53/82/32/608538232.db2.gz CBNQNWGIXSSOAJ-UHFFFAOYSA-N -1 3 367.800 2.763 20 30 FFEDHM C#CCCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000823844586 608538234 /nfs/dbraw/zinc/53/82/34/608538234.db2.gz CBNQNWGIXSSOAJ-UHFFFAOYSA-N -1 3 367.800 2.763 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823932396 608544983 /nfs/dbraw/zinc/54/49/83/608544983.db2.gz WPQKDHGDRPIAFU-UHFFFAOYSA-N -1 3 356.773 2.732 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823932396 608544985 /nfs/dbraw/zinc/54/49/85/608544985.db2.gz WPQKDHGDRPIAFU-UHFFFAOYSA-N -1 3 356.773 2.732 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)cc1O ZINC000826177153 608879499 /nfs/dbraw/zinc/87/94/99/608879499.db2.gz UOHJEKIILMFUNV-XQRVVYSFSA-N -1 3 370.340 2.625 20 30 FFEDHM COc1ccc(N=NC(C)c2ccc(-c3nn[n-]n3)c(F)c2)c([N+](=O)[O-])c1 ZINC000826210329 609161371 /nfs/dbraw/zinc/16/13/71/609161371.db2.gz MYEIYBOQZRJLCL-UHFFFAOYSA-N -1 3 371.332 2.759 20 30 FFEDHM N#CC1(c2ccc(COC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000826380812 609244929 /nfs/dbraw/zinc/24/49/29/609244929.db2.gz NEMLRASJKXBDIQ-UHFFFAOYSA-N -1 3 359.389 2.708 20 30 FFEDHM N#CC1(c2ccc(COC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826380812 609244930 /nfs/dbraw/zinc/24/49/30/609244930.db2.gz NEMLRASJKXBDIQ-UHFFFAOYSA-N -1 3 359.389 2.708 20 30 FFEDHM Cn1cc(C=CC(=O)c2cccc(O)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359841 609308326 /nfs/dbraw/zinc/30/83/26/609308326.db2.gz RLGJFBYZQPBISG-KTKRTIGZSA-N -1 3 372.388 2.869 20 30 FFEDHM Cn1cc(C=CC(=O)c2cccc(O)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359841 609308328 /nfs/dbraw/zinc/30/83/28/609308328.db2.gz RLGJFBYZQPBISG-KTKRTIGZSA-N -1 3 372.388 2.869 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(F)c(Cl)c2F)ccc1-c1nnn[n-]1 ZINC000826384148 609383772 /nfs/dbraw/zinc/38/37/72/609383772.db2.gz IQMACEOAIZHFAR-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(F)c(Cl)c2F)ccc1-c1nn[n-]n1 ZINC000826384148 609383773 /nfs/dbraw/zinc/38/37/73/609383773.db2.gz IQMACEOAIZHFAR-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(CC#N)CC1 ZINC000826268102 609387557 /nfs/dbraw/zinc/38/75/57/609387557.db2.gz KCXQQPARKIFEOI-UHFFFAOYSA-N -1 3 351.389 2.993 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC(CC#N)CC1 ZINC000826268102 609387558 /nfs/dbraw/zinc/38/75/58/609387558.db2.gz KCXQQPARKIFEOI-UHFFFAOYSA-N -1 3 351.389 2.993 20 30 FFEDHM CCOC(=O)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000825560362 609471141 /nfs/dbraw/zinc/47/11/41/609471141.db2.gz QOGYVHKYVXZFCS-UHFFFAOYSA-N -1 3 360.761 2.736 20 30 FFEDHM CCOC(=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000825560362 609471143 /nfs/dbraw/zinc/47/11/43/609471143.db2.gz QOGYVHKYVXZFCS-UHFFFAOYSA-N -1 3 360.761 2.736 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824034715 609625128 /nfs/dbraw/zinc/62/51/28/609625128.db2.gz NRCLZBQRVHSZJR-VIFPVBQESA-N -1 3 370.319 2.688 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824034715 609625130 /nfs/dbraw/zinc/62/51/30/609625130.db2.gz NRCLZBQRVHSZJR-VIFPVBQESA-N -1 3 370.319 2.688 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cscc2C)ccc1F ZINC000154334206 728802390 /nfs/dbraw/zinc/80/23/90/728802390.db2.gz PVTGNTBYEXWGPZ-UHFFFAOYSA-N -1 3 354.428 2.912 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2CC)ccc1F ZINC000156162144 728844109 /nfs/dbraw/zinc/84/41/09/728844109.db2.gz QVQLROMLEJMVIB-IUODEOHRSA-N -1 3 354.447 2.599 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)cc1 ZINC000157839151 728877863 /nfs/dbraw/zinc/87/78/63/728877863.db2.gz CODDLLKAXVKZNU-UHFFFAOYSA-N -1 3 359.476 2.912 20 30 FFEDHM C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000044838855 727993258 /nfs/dbraw/zinc/99/32/58/727993258.db2.gz DGTSZHUYNGZTOX-UHFFFAOYSA-N -1 3 363.414 2.769 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)ccc1F ZINC000045362263 728001332 /nfs/dbraw/zinc/00/13/32/728001332.db2.gz AHNMMOSPPDZRIH-CJNGLKHVSA-N -1 3 368.474 2.941 20 30 FFEDHM CC[C@H](CC#N)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000188015705 729383358 /nfs/dbraw/zinc/38/33/58/729383358.db2.gz OZNGMKQBADKNPC-GFCCVEGCSA-N -1 3 356.419 2.752 20 30 FFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000859426198 730454409 /nfs/dbraw/zinc/45/44/09/730454409.db2.gz ZTVNRBLTYNDBEQ-SNVBAGLBSA-N -1 3 366.302 2.526 20 30 FFEDHM C=C(C)CNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868517539 731300186 /nfs/dbraw/zinc/30/01/86/731300186.db2.gz ACQNRVLBMWRFSS-GFCCVEGCSA-N -1 3 355.360 2.945 20 30 FFEDHM C[C@@H](CC#N)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315722 731618677 /nfs/dbraw/zinc/61/86/77/731618677.db2.gz IGHZQMHSBDRRRX-NWDGAFQWSA-N -1 3 353.344 2.735 20 30 FFEDHM O=C(Nc1ccc(C(F)(F)F)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000878690475 732578010 /nfs/dbraw/zinc/57/80/10/732578010.db2.gz PKZXZYAXCNKJFQ-SNVBAGLBSA-N -1 3 351.712 2.861 20 30 FFEDHM Cc1cc(Br)c([O-])c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000781596324 738639522 /nfs/dbraw/zinc/63/95/22/738639522.db2.gz DGRRSHVUOAOKCQ-BETUJISGSA-N -1 3 351.248 2.657 20 30 FFEDHM COc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(C2CC2)cc1Cl ZINC000880035531 732825727 /nfs/dbraw/zinc/82/57/27/732825727.db2.gz FDQMJPNUHVOWHD-GFCCVEGCSA-N -1 3 353.806 2.728 20 30 FFEDHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000882845947 733302915 /nfs/dbraw/zinc/30/29/15/733302915.db2.gz ARJAJMZMABANTF-VIFPVBQESA-N -1 3 368.680 2.708 20 30 FFEDHM COc1cc(C(=O)/C=C/c2cc(Br)nn2C)c(OC)cc1[O-] ZINC000782346633 738712214 /nfs/dbraw/zinc/71/22/14/738712214.db2.gz BJLHZDZONVNHDI-SNAWJCMRSA-N -1 3 367.199 2.802 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(C)CCCC2)ccc1F ZINC000731173688 734669520 /nfs/dbraw/zinc/66/95/20/734669520.db2.gz TUYSBVFCOPOLFF-UHFFFAOYSA-N -1 3 354.447 2.600 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCOc2c(F)ccc(F)c21 ZINC000783833737 738840971 /nfs/dbraw/zinc/84/09/71/738840971.db2.gz OOIAKXSSIREVML-UHFFFAOYSA-N -1 3 352.362 2.571 20 30 FFEDHM N#Cc1cc(F)c(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1Br ZINC000894376034 734848030 /nfs/dbraw/zinc/84/80/30/734848030.db2.gz VPGGIKGAYLXWLE-QMMMGPOBSA-N -1 3 351.179 2.882 20 30 FFEDHM O=C1Nc2c(cc(Br)cc2Cl)C1=N[N-]c1cccnn1 ZINC000735973457 734970807 /nfs/dbraw/zinc/97/08/07/734970807.db2.gz KPWJMHVNKLCFLX-UHFFFAOYSA-N -1 3 352.579 2.661 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2C[C@H](C)C[C@@H](C)C2)ccc1F ZINC000739656248 735055938 /nfs/dbraw/zinc/05/59/38/735055938.db2.gz WLFPVRLMOGLJJI-CHWSQXEVSA-N -1 3 368.474 2.845 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C3CCCC2CCC3)ccc1F ZINC000741994202 735196707 /nfs/dbraw/zinc/19/67/07/735196707.db2.gz BTXIPIZQCYUASV-UHFFFAOYSA-N -1 3 366.458 2.837 20 30 FFEDHM COc1ccc(Br)cc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000747361977 735558709 /nfs/dbraw/zinc/55/87/09/735558709.db2.gz GXRZNDOFOWNMOK-LSCVHKIXSA-N -1 3 365.227 2.978 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C)CCC(C)CC2)ccc1F ZINC000749827809 735752992 /nfs/dbraw/zinc/75/29/92/735752992.db2.gz AMVSOCBMJUEPCU-UHFFFAOYSA-N -1 3 368.474 2.989 20 30 FFEDHM C#CCOc1cccc(Cl)c1CN1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000901864869 735855078 /nfs/dbraw/zinc/85/50/78/735855078.db2.gz KVPWVQJQFZZTGI-GOSISDBHSA-N -1 3 351.830 2.665 20 30 FFEDHM N#Cc1cccc(CNC(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000751734159 735913170 /nfs/dbraw/zinc/91/31/70/735913170.db2.gz ITXWPNFGRLKSDV-UHFFFAOYSA-N -1 3 362.744 2.530 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccnc(N3CCCCC3)c2)c1 ZINC000903666536 736141550 /nfs/dbraw/zinc/14/15/50/736141550.db2.gz PHFXULJZQBWOMU-UHFFFAOYSA-N -1 3 356.451 2.939 20 30 FFEDHM O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)N([O-])Cc1ccccc1Cl ZINC000904192250 736232088 /nfs/dbraw/zinc/23/20/88/736232088.db2.gz FQYLBGRJRFNNGY-HIFRSBDPSA-N -1 3 355.818 2.759 20 30 FFEDHM [O-]c1ccc(C=NN2C(=S)N=NC2c2ccc(OC(F)F)cc2)nc1 ZINC000755554034 736261418 /nfs/dbraw/zinc/26/14/18/736261418.db2.gz TVRZSNMDPOSGJE-UHFFFAOYSA-N -1 3 363.349 2.818 20 30 FFEDHM COc1ccc2oc(C=N[N-]S(=O)(=O)CCc3ccccc3)cc2c1 ZINC000763365127 736931738 /nfs/dbraw/zinc/93/17/38/736931738.db2.gz XZIAJMSSEPYLBE-UHFFFAOYSA-N -1 3 358.419 2.937 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)nc1Cl ZINC000766839815 737267660 /nfs/dbraw/zinc/26/76/60/737267660.db2.gz ATJARZQOWJIHHF-JTQLQIEISA-N -1 3 359.769 2.713 20 30 FFEDHM Cc1cc(Br)cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000773052266 737866414 /nfs/dbraw/zinc/86/64/14/737866414.db2.gz BJXYODYDKZHTON-UHFFFAOYSA-N -1 3 361.203 2.586 20 30 FFEDHM COC(=O)c1ccc([O-])c(CN=Nc2nnc(-c3ccccn3)s2)c1 ZINC000788029172 739199224 /nfs/dbraw/zinc/19/92/24/739199224.db2.gz RGCRWULTRRHZEE-UHFFFAOYSA-N -1 3 355.379 2.538 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cnc1Br ZINC000788350825 739236172 /nfs/dbraw/zinc/23/61/72/739236172.db2.gz IFPRVEFYEIWWNC-GFCCVEGCSA-N -1 3 374.194 2.814 20 30 FFEDHM CSc1c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cnn1C ZINC000791771534 739601103 /nfs/dbraw/zinc/60/11/03/739601103.db2.gz NZXPRHATYRTMDB-SECBINFHSA-N -1 3 366.805 2.896 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC(C)(C)C2)ccc1F ZINC000794275098 739870125 /nfs/dbraw/zinc/87/01/25/739870125.db2.gz MMXVCWZGSTWIKD-AWEZNQCLSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC2CC2)C2CCC2)ccc1F ZINC000794392352 739886047 /nfs/dbraw/zinc/88/60/47/739886047.db2.gz VPRLKRUZCSLYGI-UHFFFAOYSA-N -1 3 366.458 2.695 20 30 FFEDHM CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794935794 739944595 /nfs/dbraw/zinc/94/45/95/739944595.db2.gz UPMMCTZUCGNSMN-VURMDHGXSA-N -1 3 353.346 2.938 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2c([O-])cccc2Cl)C1 ZINC000798274351 740318765 /nfs/dbraw/zinc/31/87/65/740318765.db2.gz CPTXVUAGTNNVOR-SMDDNHRTSA-N -1 3 351.834 2.894 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccnn1-c1ccccc1 ZINC000799109596 740388474 /nfs/dbraw/zinc/38/84/74/740388474.db2.gz GTKJWSMAKQPYSD-UHFFFAOYSA-N -1 3 354.435 2.716 20 30 FFEDHM CC(C)n1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)nn1 ZINC000807958086 741174174 /nfs/dbraw/zinc/17/41/74/741174174.db2.gz JSVXOOHYQQQMQP-UHFFFAOYSA-N -1 3 359.484 2.914 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc2c(C)nn(C)c2s1 ZINC000807966175 741174845 /nfs/dbraw/zinc/17/48/45/741174845.db2.gz HBDCMPKSIKLEER-UHFFFAOYSA-N -1 3 362.480 2.787 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(CCF)c1 ZINC000808979891 741270991 /nfs/dbraw/zinc/27/09/91/741270991.db2.gz ONMGDGLXPLKOTF-LLVKDONJSA-N -1 3 352.728 2.606 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CC[C@H]2CNc3cccc1c32 ZINC000814858598 741870414 /nfs/dbraw/zinc/87/04/14/741870414.db2.gz DEYFQEOTVTVFHC-HNNXBMFYSA-N -1 3 355.463 2.856 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccccc1OCc1ccccc1Cl ZINC000816692752 742053699 /nfs/dbraw/zinc/05/36/99/742053699.db2.gz VGJSICWHKGLBBN-HNNXBMFYSA-N -1 3 360.797 2.639 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000820156296 742468685 /nfs/dbraw/zinc/46/86/85/742468685.db2.gz GHYHTSWKHAGWHZ-NSHDSACASA-N -1 3 368.361 2.736 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000820179566 742471252 /nfs/dbraw/zinc/47/12/52/742471252.db2.gz MIQSYXYUNVHODQ-JKSUJKDBSA-N -1 3 360.797 2.566 20 30 FFEDHM COc1cccc(S([O-])=CC(=O)OC[C@H](C#N)Cc2ccccc2)c1 ZINC000820213290 742476043 /nfs/dbraw/zinc/47/60/43/742476043.db2.gz MJMWHQBNORPPTG-LMKMVOKYSA-N -1 3 357.431 2.728 20 30 FFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000820482573 742510650 /nfs/dbraw/zinc/51/06/50/742510650.db2.gz NJRLRKOBKBHOBV-INIZCTEOSA-N -1 3 361.829 2.858 20 30 FFEDHM CC(C)(C#N)CCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824059127 743015167 /nfs/dbraw/zinc/01/51/67/743015167.db2.gz NKTGIHKFHSLLDA-UHFFFAOYSA-N -1 3 353.304 2.982 20 30 FFEDHM CC(C)(C#N)CCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824059127 743015177 /nfs/dbraw/zinc/01/51/77/743015177.db2.gz NKTGIHKFHSLLDA-UHFFFAOYSA-N -1 3 353.304 2.982 20 30 FFEDHM N#Cc1ccccc1NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826387073 743383499 /nfs/dbraw/zinc/38/34/99/743383499.db2.gz FPZMOJYWMPWVDJ-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM N#Cc1ccccc1NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826387073 743383506 /nfs/dbraw/zinc/38/35/06/743383506.db2.gz FPZMOJYWMPWVDJ-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM CCOc1cc(CN2CCC(C#N)(C(=O)OC)CC2)cc(Cl)c1[O-] ZINC000839128905 746782751 /nfs/dbraw/zinc/78/27/51/746782751.db2.gz IDJKZJJIUGMJQO-UHFFFAOYSA-N -1 3 352.818 2.723 20 30 FFEDHM COCCOC1(C/N=C\c2cc(Br)ccc2[O-])CCOCC1 ZINC000840707872 747163711 /nfs/dbraw/zinc/16/37/11/747163711.db2.gz SNJAYPMGUHCQTC-WQRHYEAKSA-N -1 3 372.259 2.786 20 30 FFEDHM O=C(CCC(=O)c1cc(Cl)sc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000848136683 748851053 /nfs/dbraw/zinc/85/10/53/748851053.db2.gz PXABGNACQVMZCK-MRVPVSSYSA-N -1 3 365.238 2.514 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000848695189 748987838 /nfs/dbraw/zinc/98/78/38/748987838.db2.gz WYEQOSMTFIPGPR-DIFFPNOSSA-N -1 3 368.430 2.672 20 30 FFEDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000851821946 749688990 /nfs/dbraw/zinc/68/89/90/749688990.db2.gz DCXUISHFYRSOFL-QZTJIDSGSA-N -1 3 362.426 2.734 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CCOCC1 ZINC000851828664 749691643 /nfs/dbraw/zinc/69/16/43/749691643.db2.gz CMNSKCARECDWAU-OAHLLOKOSA-N -1 3 362.476 2.517 20 30 FFEDHM C#C[C@@H](CC)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000854070039 750235932 /nfs/dbraw/zinc/23/59/32/750235932.db2.gz HUZKMMOEKQSJIJ-AWEZNQCLSA-N -1 3 363.845 2.818 20 30 FFEDHM C=CCOC(=O)c1sc2[n-]c(Cc3nc(C)cs3)nc(=O)c2c1C ZINC000055502855 845330560 /nfs/dbraw/zinc/33/05/60/845330560.db2.gz ZJEKTCOOLINWTI-UHFFFAOYSA-N -1 3 361.448 2.992 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735426650 944650114 /nfs/dbraw/zinc/65/01/14/944650114.db2.gz UFHZVBPLTYMEDV-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735426650 944650123 /nfs/dbraw/zinc/65/01/23/944650123.db2.gz UFHZVBPLTYMEDV-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC000984595692 971257000 /nfs/dbraw/zinc/25/70/00/971257000.db2.gz JQDPFFZPDSKCGB-DLBZAZTESA-N -1 3 367.449 2.803 20 30 FFEDHM C#CCOCCN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC001573290229 946901149 /nfs/dbraw/zinc/90/11/49/946901149.db2.gz UNPQZQFMSFAKIT-UHFFFAOYSA-N -1 3 365.412 2.971 20 30 FFEDHM C#CCOCCN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC001573290229 946901158 /nfs/dbraw/zinc/90/11/58/946901158.db2.gz UNPQZQFMSFAKIT-UHFFFAOYSA-N -1 3 365.412 2.971 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000824739336 946921128 /nfs/dbraw/zinc/92/11/28/946921128.db2.gz WFRCHUBFPJXOMN-WBMJQRKESA-N -1 3 355.398 2.650 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001573293749 946966873 /nfs/dbraw/zinc/96/68/73/946966873.db2.gz ILUFLYRCDLGGSZ-HOTGVXAUSA-N -1 3 362.441 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 ZINC001573293749 946966881 /nfs/dbraw/zinc/96/68/81/946966881.db2.gz ILUFLYRCDLGGSZ-HOTGVXAUSA-N -1 3 362.441 2.690 20 30 FFEDHM C=C(C)Cn1c(CC(C)C)nnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573295489 947021291 /nfs/dbraw/zinc/02/12/91/947021291.db2.gz SJQQDFLINLJKGP-UHFFFAOYSA-N -1 3 366.473 2.869 20 30 FFEDHM C=C(C)Cn1c(CC(C)C)nnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573295489 947021298 /nfs/dbraw/zinc/02/12/98/947021298.db2.gz SJQQDFLINLJKGP-UHFFFAOYSA-N -1 3 366.473 2.869 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573299708 947100393 /nfs/dbraw/zinc/10/03/93/947100393.db2.gz GSNHAXYHJYNOFF-VHSXEESVSA-N -1 3 363.491 2.539 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573306215 947168300 /nfs/dbraw/zinc/16/83/00/947168300.db2.gz ZAFGAUBSFRKFMG-CQSZACIVSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573306215 947168304 /nfs/dbraw/zinc/16/83/04/947168304.db2.gz ZAFGAUBSFRKFMG-CQSZACIVSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001573328377 947407500 /nfs/dbraw/zinc/40/75/00/947407500.db2.gz VKKUVTPFLSCCRR-KRWDZBQOSA-N -1 3 368.485 2.944 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573334695 947463071 /nfs/dbraw/zinc/46/30/71/947463071.db2.gz QKQAYUKUMZSFEH-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573334695 947463081 /nfs/dbraw/zinc/46/30/81/947463081.db2.gz QKQAYUKUMZSFEH-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C#N)C1CCCCC1 ZINC000826162165 947509199 /nfs/dbraw/zinc/50/91/99/947509199.db2.gz PWTRREJNXGBMBS-MRXNPFEDSA-N -1 3 356.430 2.776 20 30 FFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C#N)C1CCCCC1 ZINC000826162165 947509206 /nfs/dbraw/zinc/50/92/06/947509206.db2.gz PWTRREJNXGBMBS-MRXNPFEDSA-N -1 3 356.430 2.776 20 30 FFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826210823 947616777 /nfs/dbraw/zinc/61/67/77/947616777.db2.gz GKWUNIMOAXISEP-DAXSKMNVSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826210823 947616786 /nfs/dbraw/zinc/61/67/86/947616786.db2.gz GKWUNIMOAXISEP-DAXSKMNVSA-N -1 3 354.341 2.919 20 30 FFEDHM N#Cc1ccc(-c2ccn(CCOc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000826384121 948185638 /nfs/dbraw/zinc/18/56/38/948185638.db2.gz HOVQTGCUZXPOMG-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM N#Cc1ccc(-c2ccn(CCOc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000826384121 948185642 /nfs/dbraw/zinc/18/56/42/948185642.db2.gz HOVQTGCUZXPOMG-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM N#Cc1ccccc1OCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826387338 948190403 /nfs/dbraw/zinc/19/04/03/948190403.db2.gz QEBKVLUTFWACMR-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM N#Cc1ccccc1OCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826387338 948190408 /nfs/dbraw/zinc/19/04/08/948190408.db2.gz QEBKVLUTFWACMR-UHFFFAOYSA-N -1 3 357.377 2.681 20 30 FFEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000124767539 972362102 /nfs/dbraw/zinc/36/21/02/972362102.db2.gz SHNFWFCBLNLQSJ-QGZVFWFLSA-N -1 3 353.334 2.509 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC000010682485 1013330079 /nfs/dbraw/zinc/33/00/79/1013330079.db2.gz GDMILOJHJJCZSY-AWEZNQCLSA-N -1 3 352.390 2.611 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000161508965 967197993 /nfs/dbraw/zinc/19/79/93/967197993.db2.gz OHKLNMVWICTZIH-UHFFFAOYSA-N -1 3 364.327 2.849 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)ncc2C)C1=O ZINC000895484472 970672020 /nfs/dbraw/zinc/67/20/20/970672020.db2.gz ZQMKJWRJZZMRIM-SFHVURJKSA-N -1 3 364.421 2.845 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2c(Cl)nc3ccccn32)c1 ZINC000127122370 973519260 /nfs/dbraw/zinc/51/92/60/973519260.db2.gz FBNHRBDTPBBPGL-CYBMUJFWSA-N -1 3 368.780 2.957 20 30 FFEDHM N#Cc1ccc(-c2nnc(CN3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)o2)cc1 ZINC001605597266 973897465 /nfs/dbraw/zinc/89/74/65/973897465.db2.gz KEUNNXZUQMRINQ-ZWKOTPCHSA-N -1 3 374.400 2.908 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H](N3CCC(CCC(=O)[O-])CC3)C2=O)cc1 ZINC001605611374 973919340 /nfs/dbraw/zinc/91/93/40/973919340.db2.gz VFHCNEDBIWNEDS-GOSISDBHSA-N -1 3 355.438 2.630 20 30 FFEDHM CC(=O)Nc1cc(NC(C)=O)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574874 976063253 /nfs/dbraw/zinc/06/32/53/976063253.db2.gz LBEAYDQGLHCKNI-KRWDZBQOSA-N -1 3 365.393 2.500 20 30 FFEDHM C=CCn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000981582667 976621272 /nfs/dbraw/zinc/62/12/72/976621272.db2.gz DSRYEJMQZYBTQG-JKSUJKDBSA-N -1 3 367.449 2.708 20 30 FFEDHM C=CC[C@@H]1N(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1(C)C ZINC000898814675 976704838 /nfs/dbraw/zinc/70/48/38/976704838.db2.gz WTBARMINNLWCHY-CABCVRRESA-N -1 3 359.474 2.537 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1F ZINC000796601431 1014560436 /nfs/dbraw/zinc/56/04/36/1014560436.db2.gz SCFZBUBBZQQYQX-OAHLLOKOSA-N -1 3 371.755 2.859 20 30 FFEDHM CC[C@H](NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001595232923 980128226 /nfs/dbraw/zinc/12/82/26/980128226.db2.gz NFNAKNJNTRJCHL-VQHPVUNQSA-N -1 3 356.422 2.854 20 30 FFEDHM CCCCN([O-])C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000904208918 980208891 /nfs/dbraw/zinc/20/88/91/980208891.db2.gz MHTFADCDASTOMZ-UHFFFAOYSA-N -1 3 364.442 2.574 20 30 FFEDHM C=CCN(CC(=O)[O-])C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000908870364 981553149 /nfs/dbraw/zinc/55/31/49/981553149.db2.gz ZKZRWBAKCUZXMN-GOSISDBHSA-N -1 3 359.470 2.742 20 30 FFEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299845 984229120 /nfs/dbraw/zinc/22/91/20/984229120.db2.gz ROMIXXXOIRFWHP-UHFFFAOYSA-N -1 3 370.752 2.990 20 30 FFEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299845 984229124 /nfs/dbraw/zinc/22/91/24/984229124.db2.gz ROMIXXXOIRFWHP-UHFFFAOYSA-N -1 3 370.752 2.990 20 30 FFEDHM C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@]1(C)C(=O)[O-] ZINC001599927859 985239827 /nfs/dbraw/zinc/23/98/27/985239827.db2.gz LZKSNTKIMWXWSW-PZROIBLQSA-N -1 3 357.435 2.515 20 30 FFEDHM C=CCN(CC(=O)OCC)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000171635334 985351126 /nfs/dbraw/zinc/35/11/26/985351126.db2.gz TUCHSQUADOXSOA-UHFFFAOYSA-N -1 3 373.434 2.796 20 30 FFEDHM COc1cccc(CCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000174621390 986303276 /nfs/dbraw/zinc/30/32/76/986303276.db2.gz DMZQEINQQRMTHY-UHFFFAOYSA-N -1 3 368.433 2.981 20 30 FFEDHM N#CC(=C([O-])c1ccc(Cn2cncn2)cc1)c1cnc2ccccc2n1 ZINC000682993773 987920744 /nfs/dbraw/zinc/92/07/44/987920744.db2.gz AFAVASRNWNIMMN-INIZCTEOSA-N -1 3 354.373 2.760 20 30 FFEDHM C=C(CNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC000673342036 988053178 /nfs/dbraw/zinc/05/31/78/988053178.db2.gz IGJBLNXDYWTLPP-UHFFFAOYSA-N -1 3 374.444 2.903 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cnc(CC4CC4)s3)n2)cc1 ZINC000879093680 1015360371 /nfs/dbraw/zinc/36/03/71/1015360371.db2.gz FCLZKGKORVRRGJ-UHFFFAOYSA-N -1 3 364.434 2.859 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC)c1 ZINC000916925608 990029484 /nfs/dbraw/zinc/02/94/84/990029484.db2.gz PYFBIKWQXWPVAJ-HNNXBMFYSA-N -1 3 366.373 2.833 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)cc1 ZINC000916937754 990037345 /nfs/dbraw/zinc/03/73/45/990037345.db2.gz DQXZVWJYYGVLIT-CQSZACIVSA-N -1 3 371.418 2.898 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1NCc1cc(F)ccc1C#N ZINC001082429028 994606164 /nfs/dbraw/zinc/60/61/64/994606164.db2.gz YECRMLLYQGSYNU-FZKQIMNGSA-N -1 3 353.397 2.653 20 30 FFEDHM COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188747 995054003 /nfs/dbraw/zinc/05/40/03/995054003.db2.gz WKBLGJIYGJFBJT-LBPRGKRZSA-N -1 3 354.362 2.765 20 30 FFEDHM N#Cc1cc(CN2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)ccc1F ZINC001084196369 996329491 /nfs/dbraw/zinc/32/94/91/996329491.db2.gz GXQHSYHGHKJIFV-DNVCBOLYSA-N -1 3 365.408 2.749 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1c2ccccc2CN1C ZINC000826729948 1016040242 /nfs/dbraw/zinc/04/02/42/1016040242.db2.gz LABCQBYYPVIFNO-IBGZPJMESA-N -1 3 364.449 2.511 20 30 FFEDHM C=CCOCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000679588460 1016122484 /nfs/dbraw/zinc/12/24/84/1016122484.db2.gz OZLNKAKAHWGSLZ-IBGZPJMESA-N -1 3 368.433 2.572 20 30 FFEDHM C[C@H](OCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1nccn1C ZINC000845845174 998663617 /nfs/dbraw/zinc/66/36/17/998663617.db2.gz WCMSJBSTBXFYCH-GOEBONIOSA-N -1 3 351.406 2.507 20 30 FFEDHM C[C@H](OC[C@@H]1CCCCO1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845839841 998671768 /nfs/dbraw/zinc/67/17/68/998671768.db2.gz XJLRZWWOTCSEQV-SZMVWBNQSA-N -1 3 355.434 2.970 20 30 FFEDHM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC001144625430 998681548 /nfs/dbraw/zinc/68/15/48/998681548.db2.gz FMGUWQSIAXOBPT-HXUWFJFHSA-N -1 3 360.429 2.634 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000733081250 998866212 /nfs/dbraw/zinc/86/62/12/998866212.db2.gz SETSDUSHHJIVKT-SBUZPKSBSA-N -1 3 363.458 2.796 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)Cc2ccc(OCC#N)cc2)c([O-])c1 ZINC000740926711 999691834 /nfs/dbraw/zinc/69/18/34/999691834.db2.gz HDXQYJKXVMRZMY-UHFFFAOYSA-N -1 3 354.362 2.652 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1COc2ccccc2O1 ZINC000742734234 999785220 /nfs/dbraw/zinc/78/52/20/999785220.db2.gz XVZUPJCRVDPOAQ-CQSZACIVSA-N -1 3 368.389 2.592 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000743448695 999819119 /nfs/dbraw/zinc/81/91/19/999819119.db2.gz ATLCGNNKHUTQDZ-UHFFFAOYSA-N -1 3 368.462 2.758 20 30 FFEDHM O=C(Cc1ccc([O-])c(F)c1)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC001144632082 1000185748 /nfs/dbraw/zinc/18/57/48/1000185748.db2.gz GIQJWVVSWMEZHU-UHFFFAOYSA-N -1 3 359.740 2.720 20 30 FFEDHM C[C@@H]1C[C@@H](C)CN([C@@H]2CCCCC2=NNc2nc(=O)c3cnn(C)c3[n-]2)C1 ZINC000769818459 1000597766 /nfs/dbraw/zinc/59/77/66/1000597766.db2.gz UYZVFNHAXGRNKJ-XJKCOSOUSA-N -1 3 371.489 2.757 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN2Cc2c(Cl)cc([O-])cc2Cl)C1=O ZINC001276164561 1016435677 /nfs/dbraw/zinc/43/56/77/1016435677.db2.gz DLIQTPQPFUZJBC-KRWDZBQOSA-N -1 3 353.249 2.899 20 30 FFEDHM COCC#CCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000677806880 1016468428 /nfs/dbraw/zinc/46/84/28/1016468428.db2.gz SLPDIJXRTGVTJE-UHFFFAOYSA-N -1 3 360.826 2.916 20 30 FFEDHM COc1ccc(C#N)cc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000772249565 1001345260 /nfs/dbraw/zinc/34/52/60/1001345260.db2.gz QKCXCUMNIBBZKS-UHFFFAOYSA-N -1 3 365.389 2.832 20 30 FFEDHM N#Cc1cnccc1N1CC[C@@]2(CNC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001054704941 1016506551 /nfs/dbraw/zinc/50/65/51/1016506551.db2.gz IKIJVQLZLCIHLA-TZIWHRDSSA-N -1 3 362.433 2.838 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2ccccc2nc1N1CCC(C)CC1 ZINC001171363308 1001720277 /nfs/dbraw/zinc/72/02/77/1001720277.db2.gz XOWYIZBJTZGODE-BBRMVZONSA-N -1 3 355.442 2.514 20 30 FFEDHM C#CCN1CC2(CCC1=O)CCN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001276199218 1016520794 /nfs/dbraw/zinc/52/07/94/1016520794.db2.gz HBXHVAKDCDHFFU-UHFFFAOYSA-N -1 3 374.868 2.876 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@](C)(O)c2ccccc2)c(C)c1[O-] ZINC001182931174 1002112589 /nfs/dbraw/zinc/11/25/89/1002112589.db2.gz BHBBBWDMKHDKBK-FQEVSTJZSA-N -1 3 368.389 2.595 20 30 FFEDHM N#C[C@@H](CC(=O)NCCCc1c[n-][nH]c1=O)c1c(Cl)cccc1Cl ZINC001183120408 1002155274 /nfs/dbraw/zinc/15/52/74/1002155274.db2.gz IAXOYDWIXLRXEM-WDEREUQCSA-N -1 3 367.236 2.619 20 30 FFEDHM O=[N+]([O-])c1ccc2c(c1)C(=N[N-]S(=O)(=O)CCc1ccccc1)CCC2 ZINC000773058044 1002680085 /nfs/dbraw/zinc/68/00/85/1002680085.db2.gz IXQVRMQOWCITPJ-UHFFFAOYSA-N -1 3 373.434 2.797 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C[C@H](O)c2ccccc2)c(C)c1[O-] ZINC001185799966 1003068907 /nfs/dbraw/zinc/06/89/07/1003068907.db2.gz HOOAWXKEZIGZJM-INIZCTEOSA-N -1 3 368.389 2.811 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2cccc(Br)n2)CCCCCC1 ZINC001196324156 1003742996 /nfs/dbraw/zinc/74/29/96/1003742996.db2.gz RCCWVWBBZWHXTN-UHFFFAOYSA-N -1 3 358.261 2.739 20 30 FFEDHM CC(=O)c1ccc2c(c1)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC001129780700 1003771605 /nfs/dbraw/zinc/77/16/05/1003771605.db2.gz CVVWJPSAQUIPST-UHFFFAOYSA-N -1 3 363.417 2.953 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cncc(OCC)c2)c(C)c1[O-] ZINC001197620492 1004282496 /nfs/dbraw/zinc/28/24/96/1004282496.db2.gz TXEHWDODHFZMOZ-UHFFFAOYSA-N -1 3 369.377 2.795 20 30 FFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cccc3c(Cl)ccnc32)n1 ZINC001195418672 1004957970 /nfs/dbraw/zinc/95/79/70/1004957970.db2.gz VUIZAKRZDWNZRB-UHFFFAOYSA-N -1 3 364.839 2.695 20 30 FFEDHM N#CCSc1ccccc1NC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776280845 1005345726 /nfs/dbraw/zinc/34/57/26/1005345726.db2.gz YKGOWNJVRPWAOF-UHFFFAOYSA-N -1 3 367.386 2.675 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110610922 1005671009 /nfs/dbraw/zinc/67/10/09/1005671009.db2.gz ZCVIWTDQGWCQRI-ZACQAIPSSA-N -1 3 356.470 2.637 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)ccc1OC(F)F ZINC000109482059 1005835296 /nfs/dbraw/zinc/83/52/96/1005835296.db2.gz WHOHHDYLFWLHHF-LLVKDONJSA-N -1 3 361.304 2.653 20 30 FFEDHM COCc1csc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000850764862 1005837949 /nfs/dbraw/zinc/83/79/49/1005837949.db2.gz GEBLCTULCLGNIF-ZDUSSCGKSA-N -1 3 372.402 2.627 20 30 FFEDHM CC1(C)CC(=N[N-]S(=O)(=O)CCc2ccccc2)c2ccc(O)cc2O1 ZINC000814858800 1006457964 /nfs/dbraw/zinc/45/79/64/1006457964.db2.gz HTSOBEQCYWLQCK-UHFFFAOYSA-N -1 3 374.462 2.820 20 30 FFEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189119299 1006888812 /nfs/dbraw/zinc/88/88/12/1006888812.db2.gz LNSWOYUBTZISCB-INIZCTEOSA-N -1 3 373.902 2.946 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(COC)o2)c(C)c1[O-] ZINC001189264303 1006999421 /nfs/dbraw/zinc/99/94/21/1006999421.db2.gz DNNUQBPJLMHAGO-UHFFFAOYSA-N -1 3 358.350 2.741 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855170037 1007152675 /nfs/dbraw/zinc/15/26/75/1007152675.db2.gz IWEGZNDVFUWBBG-IUODEOHRSA-N -1 3 352.456 2.628 20 30 FFEDHM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(OCC#N)cc3)ccc2NC1=O ZINC001116249212 1032216399 /nfs/dbraw/zinc/21/63/99/1032216399.db2.gz YULCSURLMXXKSB-UHFFFAOYSA-N -1 3 371.418 2.619 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CCF)C2)ccc1F ZINC000855825766 1007588047 /nfs/dbraw/zinc/58/80/47/1007588047.db2.gz UFMHFUINCIPMBV-CYBMUJFWSA-N -1 3 372.437 2.502 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-]c2nc(Cl)cnc2Br)CC1 ZINC001190766659 1007773561 /nfs/dbraw/zinc/77/35/61/1007773561.db2.gz VDVXUJRFSYUDIE-UHFFFAOYSA-N -1 3 352.641 2.743 20 30 FFEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(SC)ccc2[O-])c1 ZINC001136310667 1008301035 /nfs/dbraw/zinc/30/10/35/1008301035.db2.gz RCBIGRMFPWSZCH-UHFFFAOYSA-N -1 3 354.431 2.806 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000820477542 1008339853 /nfs/dbraw/zinc/33/98/53/1008339853.db2.gz ZZLUJEMBSCWXCE-HNNXBMFYSA-N -1 3 351.362 2.605 20 30 FFEDHM C=CCN1CC[C@@]2(CCN(C(=O)c3ccc(C(C)(C)C)cc3[O-])C2)C1=O ZINC001274149433 1009464384 /nfs/dbraw/zinc/46/43/84/1009464384.db2.gz AEZHRRTYCRWOEI-NRFANRHFSA-N -1 3 356.466 2.940 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)n(C)n2)cc1 ZINC000773974528 1010367402 /nfs/dbraw/zinc/36/74/02/1010367402.db2.gz CPLLFUWRTFWWDR-WFASDCNBSA-N -1 3 354.410 2.903 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(C)C)cn2)cc1 ZINC000774057020 1010445875 /nfs/dbraw/zinc/44/58/75/1010445875.db2.gz ZVJLJYSFRKDUQX-MRXNPFEDSA-N -1 3 353.378 2.839 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C ZINC000777295518 1010473135 /nfs/dbraw/zinc/47/31/35/1010473135.db2.gz HCTZHOHVFAKEHN-INIZCTEOSA-N -1 3 365.389 2.871 20 30 FFEDHM COC(OC)c1c(C#C[Si](C)(C)C)ccnc1[N-]c1nccnc1CN ZINC001171444466 1011103436 /nfs/dbraw/zinc/10/34/36/1011103436.db2.gz MFYKWABEQYPAOR-UHFFFAOYSA-N -1 3 371.517 2.594 20 30 FFEDHM C=CCN1CC[C@@]2(CCN(C(=O)c3cc(C(F)(F)F)ccc3[O-])C2)C1=O ZINC001274550604 1011504501 /nfs/dbraw/zinc/50/45/01/1011504501.db2.gz AZGNMUJUHLRTML-KRWDZBQOSA-N -1 3 368.355 2.662 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cccc(C#N)c3)no2)cc1F ZINC001217018209 1032589455 /nfs/dbraw/zinc/58/94/55/1032589455.db2.gz LYGDTUOSNCBAJV-UHFFFAOYSA-N -1 3 358.354 2.786 20 30 FFEDHM C=CCCn1cc(CN[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])nn1 ZINC000901840925 1019509779 /nfs/dbraw/zinc/50/97/79/1019509779.db2.gz RCAXFZHYGGCKEK-APWZRJJASA-N -1 3 354.454 2.907 20 30 FFEDHM Cc1cc(N2CC[C@@H]3CCN(C(=O)c4ccccc4[O-])C[C@@H]32)c(C#N)cn1 ZINC001044923682 1019749823 /nfs/dbraw/zinc/74/98/23/1019749823.db2.gz DYAMGWWBWIOWBH-KXBFYZLASA-N -1 3 362.433 2.708 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC001116592335 1021299316 /nfs/dbraw/zinc/29/93/16/1021299316.db2.gz URRYLHHMRHAQOY-ZDUSSCGKSA-N -1 3 366.266 2.921 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001117761035 1021867238 /nfs/dbraw/zinc/86/72/38/1021867238.db2.gz CHQFAHWQQXFOIC-BDAKNGLRSA-N -1 3 370.780 2.766 20 30 FFEDHM C=CC[C@@H]1N(c2nnc(-c3c[n-]oc3=O)n2CCOC)CCCC1(C)C ZINC001122235042 1023133658 /nfs/dbraw/zinc/13/36/58/1023133658.db2.gz XOTYJYAUKTVQMM-AWEZNQCLSA-N -1 3 361.446 2.856 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccsc2C1 ZINC001122396277 1023241839 /nfs/dbraw/zinc/24/18/39/1023241839.db2.gz ZPDJTFJEJHUONK-UHFFFAOYSA-N -1 3 368.466 2.949 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2nccs2)C1 ZINC001122588288 1023354068 /nfs/dbraw/zinc/35/40/68/1023354068.db2.gz WRXMWXHRBHLOFK-NSHDSACASA-N -1 3 358.427 2.665 20 30 FFEDHM COc1ccc(C2N=NC(=S)N2N=Cc2ccc([O-])c(F)c2)cc1OC ZINC000755542519 1023608894 /nfs/dbraw/zinc/60/88/94/1023608894.db2.gz MMUQWLAYHIRMBD-UHFFFAOYSA-N -1 3 374.397 2.978 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCc4ncncc4C3)n2C)c1[O-] ZINC001121535643 1023833291 /nfs/dbraw/zinc/83/32/91/1023833291.db2.gz VCPLPAZBYYCAIZ-UHFFFAOYSA-N -1 3 362.437 2.659 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@H](CO)[C@@H]3C)n2C)c1[O-] ZINC001121535693 1023833407 /nfs/dbraw/zinc/83/34/07/1023833407.db2.gz WDPKZKBVUUQZME-GOEBONIOSA-N -1 3 356.470 2.904 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1cccnc1 ZINC000759236811 1024527647 /nfs/dbraw/zinc/52/76/47/1024527647.db2.gz IRQLREORMKNNSS-ZPIQOJFGSA-N -1 3 365.389 2.808 20 30 FFEDHM CC(C)C[C@H](C#N)NC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153882024 1028042042 /nfs/dbraw/zinc/04/20/42/1028042042.db2.gz XRELPWUGOKXCFD-LLVKDONJSA-N -1 3 362.227 2.959 20 30 FFEDHM C=CCOC(=O)N[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(C)cc32)C1 ZINC001154532262 1028341624 /nfs/dbraw/zinc/34/16/24/1028341624.db2.gz LELIVGJOWYGASN-AWEZNQCLSA-N -1 3 369.421 2.766 20 30 FFEDHM O=C1NCCc2nc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ccc21 ZINC001163765731 1029055865 /nfs/dbraw/zinc/05/58/65/1029055865.db2.gz WYPMSEUYABYTFX-UHFFFAOYSA-N -1 3 366.299 2.514 20 30 FFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(Cc2cccnc2)nn1 ZINC000783702543 1030243028 /nfs/dbraw/zinc/24/30/28/1030243028.db2.gz ZDKNKVZYXCWKKE-ODYDIQAQSA-N -1 3 350.353 2.950 20 30 FFEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000797549751 1031150516 /nfs/dbraw/zinc/15/05/16/1031150516.db2.gz RLPGUJUACVPQQR-HNNXBMFYSA-N -1 3 353.378 2.505 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccnn1-c1ccccc1 ZINC000799112059 1031651975 /nfs/dbraw/zinc/65/19/75/1031651975.db2.gz YWHRVGZDZOCOEA-UHFFFAOYSA-N -1 3 368.462 2.758 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@H](O/C(=N\[O-])c2ccccn2)C(F)(F)C1 ZINC001223977569 1033666893 /nfs/dbraw/zinc/66/68/93/1033666893.db2.gz KZQPYHGTFBBYFH-HLBVEJKMSA-N -1 3 357.357 2.879 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC001225470648 1034266703 /nfs/dbraw/zinc/26/67/03/1034266703.db2.gz XWIVSLVGUMUDRB-HNAYVOBHSA-N -1 3 353.422 2.636 20 30 FFEDHM C=CCN1CC[C@]2(CCCN(Cc3ccc(F)cc3C(=O)[O-])CC2)C1=O ZINC001277108062 1034571801 /nfs/dbraw/zinc/57/18/01/1034571801.db2.gz SLUVAIQMCVXJQO-HXUWFJFHSA-N -1 3 360.429 2.915 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227613060 1035637633 /nfs/dbraw/zinc/63/76/33/1035637633.db2.gz QFPCVOSYKPHNHR-SNVBAGLBSA-N -1 3 363.443 2.586 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233331750 1036538717 /nfs/dbraw/zinc/53/87/17/1036538717.db2.gz JOTIHBUQAPLCCR-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM CN1CC[C@@H](Oc2cc(/C=C3\Oc4cc([O-])ccc4C3=O)ccc2O)C1 ZINC001229207032 1036554424 /nfs/dbraw/zinc/55/44/24/1036554424.db2.gz CKMRHCMGLCHCGD-NGMPYOPUSA-N -1 3 353.374 2.797 20 30 FFEDHM COCCOc1ccc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)cc1 ZINC001233387414 1036590060 /nfs/dbraw/zinc/59/00/60/1036590060.db2.gz IEQUBBOGJNAWRK-UHFFFAOYSA-N -1 3 367.449 2.611 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001234691972 1037144580 /nfs/dbraw/zinc/14/45/80/1037144580.db2.gz LLFRIIYYFWSHRY-OWCBBSPXSA-N -1 3 356.378 2.659 20 30 FFEDHM COc1cc([O-])cc(OC2CN(C)C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234774247 1037177523 /nfs/dbraw/zinc/17/75/23/1037177523.db2.gz DZQYBKUFLBCTKU-VMPITWQZSA-N -1 3 355.390 2.695 20 30 FFEDHM N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(O[C@H]2CN3CCC2CC3)c1C#N ZINC001231227414 1037504503 /nfs/dbraw/zinc/50/45/03/1037504503.db2.gz FMHAXJBNEULRRY-INIZCTEOSA-N -1 3 364.361 2.670 20 30 FFEDHM C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(OC)c(C(=O)[O-])c1)C2 ZINC001231753590 1037879895 /nfs/dbraw/zinc/87/98/95/1037879895.db2.gz YAVWOMPGYBDBOP-UZLBHIALSA-N -1 3 361.438 2.720 20 30 FFEDHM C=CCN1C[C@@]2(CCN(Cc3c([O-])ccc(Cl)c3Cl)C2)OCC1=O ZINC001277992046 1038192865 /nfs/dbraw/zinc/19/28/65/1038192865.db2.gz AQSACCXCZHPOCM-KRWDZBQOSA-N -1 3 371.264 2.688 20 30 FFEDHM CCOC(Cc1c(Nc2ccc(C#N)cc2OC)nc[n-]c1=O)OCC ZINC001209272873 1038740201 /nfs/dbraw/zinc/74/02/01/1038740201.db2.gz ZYRBQPYMXQCFEQ-UHFFFAOYSA-N -1 3 358.398 2.748 20 30 FFEDHM C=C[C@H]1C[C@]1([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OCC ZINC001257293348 1038762519 /nfs/dbraw/zinc/76/25/19/1038762519.db2.gz LYEFHQOKBMQFHK-LKFCYVNXSA-N -1 3 364.250 2.780 20 30 FFEDHM C=CCn1cc(C[N-]C(=O)C(F)(F)c2ccc(Br)cc2)nn1 ZINC001276649908 1038987832 /nfs/dbraw/zinc/98/78/32/1038987832.db2.gz BSEKHATYNCDWQZ-UHFFFAOYSA-N -1 3 371.185 2.635 20 30 FFEDHM CCCCCCCOc1ccc(-c2noc([C@@H](N)Cc3nnn[n-]3)n2)cc1 ZINC001247302984 1039700043 /nfs/dbraw/zinc/70/00/43/1039700043.db2.gz YNFYKZQHNKBYOW-HNNXBMFYSA-N -1 3 371.445 2.841 20 30 FFEDHM CCCCCCCOc1ccc(-c2noc([C@@H](N)Cc3nn[n-]n3)n2)cc1 ZINC001247302984 1039700050 /nfs/dbraw/zinc/70/00/50/1039700050.db2.gz YNFYKZQHNKBYOW-HNNXBMFYSA-N -1 3 371.445 2.841 20 30 FFEDHM COc1cnc(Br)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259118492 1039728424 /nfs/dbraw/zinc/72/84/24/1039728424.db2.gz QFIRCTXIXRCZMR-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM C[C@](C#N)([N-]S(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC001259358548 1039938106 /nfs/dbraw/zinc/93/81/06/1039938106.db2.gz CSXLMFKMBLBCPP-QGZVFWFLSA-N -1 3 362.838 2.992 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2nc(F)c(F)c(Cl)c2F)cc1 ZINC001260039291 1040371289 /nfs/dbraw/zinc/37/12/89/1040371289.db2.gz WVTFXYGBAALZHC-UHFFFAOYSA-N -1 3 361.732 2.966 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](C(C)(C)C)CC1 ZINC001263979958 1042562477 /nfs/dbraw/zinc/56/24/77/1042562477.db2.gz JVWKECKZHPCKAK-KRWDZBQOSA-N -1 3 359.470 2.872 20 30 FFEDHM C#CCCCCCC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001281625200 1044985251 /nfs/dbraw/zinc/98/52/51/1044985251.db2.gz OZBUSFHMBGPQAC-FUHWJXTLSA-N -1 3 354.450 2.649 20 30 FFEDHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001319339191 1045116299 /nfs/dbraw/zinc/11/62/99/1045116299.db2.gz RITFCTRSPWPEIZ-OAHLLOKOSA-N -1 3 371.462 2.779 20 30 FFEDHM COc1ccc2c(c1OC)C(=N[N-]c1ccc(C(C)(C)C)nn1)C(=O)N2 ZINC001330727400 1049295944 /nfs/dbraw/zinc/29/59/44/1049295944.db2.gz KTZKAMFBNHROPU-UHFFFAOYSA-N -1 3 355.398 2.560 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001339854127 1050271100 /nfs/dbraw/zinc/27/11/00/1050271100.db2.gz JOGJYJZTZFIEIP-HUUCEWRRSA-N -1 3 354.458 2.952 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1CSC ZINC001341740193 1050358200 /nfs/dbraw/zinc/35/82/00/1050358200.db2.gz RUUGPFGOEFUKEF-ZDUSSCGKSA-N -1 3 360.487 2.657 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001340379777 1050772353 /nfs/dbraw/zinc/77/23/53/1050772353.db2.gz HTZKYPVUMKYADM-AWEZNQCLSA-N -1 3 359.430 2.753 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001340460074 1050853715 /nfs/dbraw/zinc/85/37/15/1050853715.db2.gz ULBAJPYEHGPRHT-IBGZPJMESA-N -1 3 352.442 2.953 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC2(CC1)C(F)(F)C2(F)F ZINC001340502180 1050897692 /nfs/dbraw/zinc/89/76/92/1050897692.db2.gz QRSFIKPUTCVIJI-UHFFFAOYSA-N -1 3 373.310 2.696 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cccc2)nc1)c1nc(N)c2ccccc2n1 ZINC001342578279 1051183828 /nfs/dbraw/zinc/18/38/28/1051183828.db2.gz BLDUJBQZFPNSKZ-HNNXBMFYSA-N -1 3 354.373 2.888 20 30 FFEDHM C#CCN(c1nnc(-c2cc(=O)[n-]c(C)n2)n1C)[C@H]1CCCc2ccccc21 ZINC001341289246 1051645343 /nfs/dbraw/zinc/64/53/43/1051645343.db2.gz HXRZMRKILDGXFZ-SFHVURJKSA-N -1 3 374.448 2.803 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCC3)c2)c1 ZINC001343366435 1052187401 /nfs/dbraw/zinc/18/74/01/1052187401.db2.gz NXIVAPMIZDTKIG-KRWDZBQOSA-N -1 3 365.389 2.983 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)CCOC(C)(C)C ZINC001343406567 1052210581 /nfs/dbraw/zinc/21/05/81/1052210581.db2.gz XJBRVGRHDOFCPE-UHFFFAOYSA-N -1 3 360.462 2.577 20 30 FFEDHM Cc1noc(COc2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cn2)n1 ZINC001306898991 1052216473 /nfs/dbraw/zinc/21/64/73/1052216473.db2.gz UTVHFGQTTSQCDN-UHFFFAOYSA-N -1 3 358.329 2.523 20 30 FFEDHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n2)cc1F ZINC001309306611 1052595999 /nfs/dbraw/zinc/59/59/99/1052595999.db2.gz XUFZLOSDNIAHBE-LLVKDONJSA-N -1 3 366.418 2.714 20 30 FFEDHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)c(C)n1 ZINC001346241070 1052800987 /nfs/dbraw/zinc/80/09/87/1052800987.db2.gz ZUYRKGAFAUERNN-CQSZACIVSA-N -1 3 354.410 2.961 20 30 FFEDHM CC#CC[C@H](NCc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC001334852548 1053114885 /nfs/dbraw/zinc/11/48/85/1053114885.db2.gz HJUSGQLQJQTVOQ-CVEARBPZSA-N -1 3 351.830 2.854 20 30 FFEDHM O=C([C@H]1CC12CCS(=O)(=O)CC2)N([O-])Cc1cccc2ccccc21 ZINC001334856837 1053117902 /nfs/dbraw/zinc/11/79/02/1053117902.db2.gz IYMQOTQVUSTWCK-QGZVFWFLSA-N -1 3 359.447 2.773 20 30 FFEDHM C=CCCCN(CC)C(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001334921711 1053152574 /nfs/dbraw/zinc/15/25/74/1053152574.db2.gz CYMVPSXTINMHNC-UHFFFAOYSA-N -1 3 369.259 2.586 20 30 FFEDHM CO[C@@H](C[C@H](NCc1cc(C#N)ccc1Br)C(=O)[O-])C1CC1 ZINC001335194729 1053253434 /nfs/dbraw/zinc/25/34/34/1053253434.db2.gz ZWYVECIHSIJDIY-GJZGRUSLSA-N -1 3 367.243 2.679 20 30 FFEDHM C=C[C@@H](C(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1)c1ccccc1 ZINC001347461366 1054007193 /nfs/dbraw/zinc/00/71/93/1054007193.db2.gz DFEIVJMKIIBEDA-MRXNPFEDSA-N -1 3 368.437 2.657 20 30 FFEDHM C=C[C@@H](C(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1)c1ccccc1 ZINC001347461366 1054007195 /nfs/dbraw/zinc/00/71/95/1054007195.db2.gz DFEIVJMKIIBEDA-MRXNPFEDSA-N -1 3 368.437 2.657 20 30 FFEDHM C=C1CCN(c2nnc(-c3cnc[n-]c3=O)n2Cc2cccs2)CC1 ZINC001348448188 1054702746 /nfs/dbraw/zinc/70/27/46/1054702746.db2.gz NYEFTVQCWHTTNE-UHFFFAOYSA-N -1 3 354.439 2.707 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H](COC)C1 ZINC001338635408 1055687578 /nfs/dbraw/zinc/68/75/78/1055687578.db2.gz IBUZBSANKQTHFH-LBPRGKRZSA-N -1 3 371.466 2.919 20 30 FFEDHM C=C[C@@H](C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001352793405 1055795716 /nfs/dbraw/zinc/79/57/16/1055795716.db2.gz JVNCRDZDTWTBMR-IAGOWNOFSA-N -1 3 352.438 2.545 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001339194086 1056188054 /nfs/dbraw/zinc/18/80/54/1056188054.db2.gz BREYCDJBXRBIJG-NSHDSACASA-N -1 3 371.470 2.632 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC2CC1(c1ccccc1)C2 ZINC001339606952 1056630895 /nfs/dbraw/zinc/63/08/95/1056630895.db2.gz PPCBXHOTBBANIT-UHFFFAOYSA-N -1 3 360.421 2.752 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CC2(NC(=O)OC(C)(C)C)CCCC2)c1[O-] ZINC000849171700 1056788414 /nfs/dbraw/zinc/78/84/14/1056788414.db2.gz DURRBBHVQTXLQK-JMIUGGIZSA-N -1 3 363.458 2.844 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001448577595 1058793345 /nfs/dbraw/zinc/79/33/45/1058793345.db2.gz IRMCWNFGVQCXIP-UHFFFAOYSA-N -1 3 371.824 2.888 20 30 FFEDHM Cc1ccc(Oc2ccccc2CC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848132189 1059097125 /nfs/dbraw/zinc/09/71/25/1059097125.db2.gz OULCBNOIUFQNEU-QGZVFWFLSA-N -1 3 354.406 2.826 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000848137027 1059106187 /nfs/dbraw/zinc/10/61/87/1059106187.db2.gz WSIJWFIXYGVYBQ-SFHVURJKSA-N -1 3 365.433 2.881 20 30 FFEDHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC001452740140 1059290226 /nfs/dbraw/zinc/29/02/26/1059290226.db2.gz UFIRVFKKXVXEJH-UHFFFAOYSA-N -1 3 374.400 2.871 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC(C)(OC)C1 ZINC001520198387 1059476763 /nfs/dbraw/zinc/47/67/63/1059476763.db2.gz VKXNFLVSRYAZPP-UHFFFAOYSA-N -1 3 357.439 2.672 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCc2cc(C)ccc2C1 ZINC001515556673 1059698437 /nfs/dbraw/zinc/69/84/37/1059698437.db2.gz WWEGYFIBPVXKHA-UHFFFAOYSA-N -1 3 362.437 2.888 20 30 FFEDHM O=C([C@@H]1CCCCC1(F)F)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458003597 1060487477 /nfs/dbraw/zinc/48/74/77/1060487477.db2.gz QIQHFUULJSRNLW-AWEZNQCLSA-N -1 3 366.364 2.716 20 30 FFEDHM N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC001463793019 1062265651 /nfs/dbraw/zinc/26/56/51/1062265651.db2.gz PWVNSYCBRGHCTF-NSHDSACASA-N -1 3 373.381 2.960 20 30 FFEDHM N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC001463793017 1062265685 /nfs/dbraw/zinc/26/56/85/1062265685.db2.gz PWVNSYCBRGHCTF-LLVKDONJSA-N -1 3 373.381 2.960 20 30 FFEDHM C=C(C[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccccc1 ZINC001463816681 1062278920 /nfs/dbraw/zinc/27/89/20/1062278920.db2.gz DAMUTRFAEMYWCW-JOCHJYFZSA-N -1 3 356.513 2.965 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001464463920 1062626509 /nfs/dbraw/zinc/62/65/09/1062626509.db2.gz BGILEQXUXBFYIR-YOEHRIQHSA-N -1 3 350.422 2.533 20 30 FFEDHM COC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)C(C)(C)CC3)cn1 ZINC001439533967 1063173874 /nfs/dbraw/zinc/17/38/74/1063173874.db2.gz IGPKUODAQSQLFW-UHFFFAOYSA-N -1 3 356.407 2.672 20 30 FFEDHM N#Cc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)co1 ZINC001442724060 1063558671 /nfs/dbraw/zinc/55/86/71/1063558671.db2.gz OLERDIKVIVEPMN-UHFFFAOYSA-N -1 3 358.155 2.951 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Cl)cc1C#N ZINC001575495543 1078145245 /nfs/dbraw/zinc/14/52/45/1078145245.db2.gz ZKKFDOARXYGYCL-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001578735780 1078525337 /nfs/dbraw/zinc/52/53/37/1078525337.db2.gz BGZJTEOPGDQJHE-UHFFFAOYSA-N -1 3 372.392 2.669 20 30 FFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001578735780 1078525349 /nfs/dbraw/zinc/52/53/49/1078525349.db2.gz BGZJTEOPGDQJHE-UHFFFAOYSA-N -1 3 372.392 2.669 20 30 FFEDHM Cc1cc(NC(=O)C(=O)C=Cc2ccc(F)cc2)cc(-c2nnn[n-]2)c1 ZINC001580978246 1078900649 /nfs/dbraw/zinc/90/06/49/1078900649.db2.gz ODTFWOAAJJVBSE-QPJJXVBHSA-N -1 3 351.341 2.535 20 30 FFEDHM Cc1cc(NC(=O)C(=O)C=Cc2ccc(F)cc2)cc(-c2nn[n-]n2)c1 ZINC001580978246 1078900650 /nfs/dbraw/zinc/90/06/50/1078900650.db2.gz ODTFWOAAJJVBSE-QPJJXVBHSA-N -1 3 351.341 2.535 20 30 FFEDHM Cc1cc2ccccc2nc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001581046343 1078911329 /nfs/dbraw/zinc/91/13/29/1078911329.db2.gz QAFNDZOSERYQNE-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1cc2ccccc2nc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001581046343 1078911335 /nfs/dbraw/zinc/91/13/35/1078911335.db2.gz QAFNDZOSERYQNE-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM N#Cc1cc(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cs1 ZINC001581865199 1079008550 /nfs/dbraw/zinc/00/85/50/1079008550.db2.gz FLSJIHISPFHYJE-OAHLLOKOSA-N -1 3 350.407 2.607 20 30 FFEDHM N#Cc1cc(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cs1 ZINC001581865199 1079008559 /nfs/dbraw/zinc/00/85/59/1079008559.db2.gz FLSJIHISPFHYJE-OAHLLOKOSA-N -1 3 350.407 2.607 20 30 FFEDHM N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001581856903 1079009677 /nfs/dbraw/zinc/00/96/77/1079009677.db2.gz IKXQIRNZDKZRHY-BBWFWOEESA-N -1 3 350.426 2.559 20 30 FFEDHM N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001581856903 1079009685 /nfs/dbraw/zinc/00/96/85/1079009685.db2.gz IKXQIRNZDKZRHY-BBWFWOEESA-N -1 3 350.426 2.559 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001581873462 1079010518 /nfs/dbraw/zinc/01/05/18/1079010518.db2.gz CVEYDUISFOONNQ-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001581873462 1079010522 /nfs/dbraw/zinc/01/05/22/1079010522.db2.gz CVEYDUISFOONNQ-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1nc(-c2ccccn2)cs1 ZINC001581874889 1079012981 /nfs/dbraw/zinc/01/29/81/1079012981.db2.gz MDDIWZBXMQKKHC-UHFFFAOYSA-N -1 3 360.406 2.869 20 30 FFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1nc(-c2ccccn2)cs1 ZINC001581874889 1079012985 /nfs/dbraw/zinc/01/29/85/1079012985.db2.gz MDDIWZBXMQKKHC-UHFFFAOYSA-N -1 3 360.406 2.869 20 30 FFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1c(F)cccc1-n1cccn1 ZINC001581874780 1079013024 /nfs/dbraw/zinc/01/30/24/1079013024.db2.gz HWXWDKYBFWHISE-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1c(F)cccc1-n1cccn1 ZINC001581874780 1079013031 /nfs/dbraw/zinc/01/30/31/1079013031.db2.gz HWXWDKYBFWHISE-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc(OCc2ccccc2)cc1 ZINC001584708292 1079380628 /nfs/dbraw/zinc/38/06/28/1079380628.db2.gz CYVWNGRJASIRMN-GOSISDBHSA-N -1 3 360.373 2.756 20 30 FFEDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC001556527662 1075750147 /nfs/dbraw/zinc/75/01/47/1075750147.db2.gz CWBMSOKATZPFSI-MNOVXSKESA-N -1 3 372.812 2.705 20 30 FFEDHM C#CCC1(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCC1 ZINC001558481194 1076013552 /nfs/dbraw/zinc/01/35/52/1076013552.db2.gz WULAMGQYFAKPOD-UHFFFAOYSA-N -1 3 353.378 2.617 20 30 FFEDHM Cc1cc(C#N)cc(C)c1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001558977770 1076109105 /nfs/dbraw/zinc/10/91/05/1076109105.db2.gz ACVVUIDIMZWXJC-ZIAGYGMSSA-N -1 3 366.421 2.669 20 30 FFEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3cc(F)cc4nccnc43)n[nH]2)c1 ZINC001559045300 1076120847 /nfs/dbraw/zinc/12/08/47/1076120847.db2.gz NBNWDEMDHLKIOB-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM CCN(Cc1cc(C#N)ccc1N(C)C)Cc1c([O-])c(C)ncc1CO ZINC001561016692 1076319960 /nfs/dbraw/zinc/31/99/60/1076319960.db2.gz DWJGMAYMNUQYMZ-UHFFFAOYSA-N -1 3 354.454 2.548 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)OCC ZINC001561876146 1076438216 /nfs/dbraw/zinc/43/82/16/1076438216.db2.gz OTAAUSUQIQPEST-SNVBAGLBSA-N -1 3 351.877 2.886 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001573196678 1077586280 /nfs/dbraw/zinc/58/62/80/1077586280.db2.gz YJDORFUGRBZOMW-LRDNONRASA-N -1 3 369.469 2.575 20 30 FFEDHM C#CCC(C)(C)C(=O)OCc1cc(Br)cc(-c2nnn[n-]2)c1 ZINC001588332152 1079986694 /nfs/dbraw/zinc/98/66/94/1079986694.db2.gz WEPLMEPANWXPBA-UHFFFAOYSA-N -1 3 363.215 2.722 20 30 FFEDHM C#CCC(C)(C)C(=O)OCc1cc(Br)cc(-c2nn[n-]n2)c1 ZINC001588332152 1079986700 /nfs/dbraw/zinc/98/67/00/1079986700.db2.gz WEPLMEPANWXPBA-UHFFFAOYSA-N -1 3 363.215 2.722 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccccc1 ZINC001588330351 1079986915 /nfs/dbraw/zinc/98/69/15/1079986915.db2.gz ZRBIJNDXMDWGHC-AWEZNQCLSA-N -1 3 354.320 2.641 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccccc1 ZINC001588330351 1079986923 /nfs/dbraw/zinc/98/69/23/1079986923.db2.gz ZRBIJNDXMDWGHC-AWEZNQCLSA-N -1 3 354.320 2.641 20 30 FFEDHM C#CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)CCCCC1 ZINC001588335071 1079989074 /nfs/dbraw/zinc/98/90/74/1079989074.db2.gz WPLQCEDRAAZKCT-UHFFFAOYSA-N -1 3 354.410 2.892 20 30 FFEDHM C#CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)CCCCC1 ZINC001588335071 1079989079 /nfs/dbraw/zinc/98/90/79/1079989079.db2.gz WPLQCEDRAAZKCT-UHFFFAOYSA-N -1 3 354.410 2.892 20 30 FFEDHM C#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588338411 1079990563 /nfs/dbraw/zinc/99/05/63/1079990563.db2.gz KVQZIXBKHDXTAV-STQMWFEESA-N -1 3 358.421 2.505 20 30 FFEDHM C#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588338411 1079990564 /nfs/dbraw/zinc/99/05/64/1079990564.db2.gz KVQZIXBKHDXTAV-STQMWFEESA-N -1 3 358.421 2.505 20 30 FFEDHM C#CCOc1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588361881 1079994050 /nfs/dbraw/zinc/99/40/50/1079994050.db2.gz MILLEKDSIQRQMO-RBUKOAKNSA-N -1 3 374.400 2.726 20 30 FFEDHM C#CCOc1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588361881 1079994055 /nfs/dbraw/zinc/99/40/55/1079994055.db2.gz MILLEKDSIQRQMO-RBUKOAKNSA-N -1 3 374.400 2.726 20 30 FFEDHM C#C[C@]1(C)CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=C)C ZINC001588364738 1079995163 /nfs/dbraw/zinc/99/51/63/1079995163.db2.gz IHHHBGWFRLNISW-HXUWFJFHSA-N -1 3 374.452 2.693 20 30 FFEDHM C#C[C@]1(C)CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=C)C ZINC001588364738 1079995172 /nfs/dbraw/zinc/99/51/72/1079995172.db2.gz IHHHBGWFRLNISW-HXUWFJFHSA-N -1 3 374.452 2.693 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001588365125 1079995523 /nfs/dbraw/zinc/99/55/23/1079995523.db2.gz PDDXPDQSZYFOOE-XYPYZODXSA-N -1 3 360.874 2.999 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001588365125 1079995527 /nfs/dbraw/zinc/99/55/27/1079995527.db2.gz PDDXPDQSZYFOOE-XYPYZODXSA-N -1 3 360.874 2.999 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588393344 1080004505 /nfs/dbraw/zinc/00/45/05/1080004505.db2.gz OFLSFWCFKCDWJR-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588393344 1080004512 /nfs/dbraw/zinc/00/45/12/1080004512.db2.gz OFLSFWCFKCDWJR-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588394841 1080007588 /nfs/dbraw/zinc/00/75/88/1080007588.db2.gz ZIFOMCSJEOVEEM-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588394841 1080007594 /nfs/dbraw/zinc/00/75/94/1080007594.db2.gz ZIFOMCSJEOVEEM-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)OCC ZINC001588401269 1080009521 /nfs/dbraw/zinc/00/95/21/1080009521.db2.gz OIPCLHBPGZWOTA-MLGOLLRUSA-N -1 3 370.457 2.696 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)OCC ZINC001588401269 1080009530 /nfs/dbraw/zinc/00/95/30/1080009530.db2.gz OIPCLHBPGZWOTA-MLGOLLRUSA-N -1 3 370.457 2.696 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588425960 1080024508 /nfs/dbraw/zinc/02/45/08/1080024508.db2.gz DEKIBVILMSMZSI-GOSISDBHSA-N -1 3 363.421 2.505 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588425960 1080024518 /nfs/dbraw/zinc/02/45/18/1080024518.db2.gz DEKIBVILMSMZSI-GOSISDBHSA-N -1 3 363.421 2.505 20 30 FFEDHM C=C(C)COCCNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588429208 1080025365 /nfs/dbraw/zinc/02/53/65/1080025365.db2.gz QXKWIMMETNQJIU-UHFFFAOYSA-N -1 3 363.425 2.981 20 30 FFEDHM C=C(C)COCCNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588429208 1080025373 /nfs/dbraw/zinc/02/53/73/1080025373.db2.gz QXKWIMMETNQJIU-UHFFFAOYSA-N -1 3 363.425 2.981 20 30 FFEDHM C=C(CNC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1)c1ccccc1 ZINC001588444313 1080030001 /nfs/dbraw/zinc/03/00/01/1080030001.db2.gz WVLMQNXAAWLBDV-UHFFFAOYSA-N -1 3 372.388 2.965 20 30 FFEDHM C=C(CNC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1)c1ccccc1 ZINC001588444313 1080030012 /nfs/dbraw/zinc/03/00/12/1080030012.db2.gz WVLMQNXAAWLBDV-UHFFFAOYSA-N -1 3 372.388 2.965 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC(C)(C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588468856 1080039457 /nfs/dbraw/zinc/03/94/57/1080039457.db2.gz PLWMSKWMQPSGNG-UHFFFAOYSA-N -1 3 371.489 2.679 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC(C)(C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588468856 1080039459 /nfs/dbraw/zinc/03/94/59/1080039459.db2.gz PLWMSKWMQPSGNG-UHFFFAOYSA-N -1 3 371.489 2.679 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588483482 1080046187 /nfs/dbraw/zinc/04/61/87/1080046187.db2.gz LSBPNOKDBNWBQC-LLVKDONJSA-N -1 3 363.491 2.541 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588484317 1080047424 /nfs/dbraw/zinc/04/74/24/1080047424.db2.gz AQVPDRJPGDGZTK-LBPRGKRZSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588484317 1080047432 /nfs/dbraw/zinc/04/74/32/1080047432.db2.gz AQVPDRJPGDGZTK-LBPRGKRZSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588490939 1080052243 /nfs/dbraw/zinc/05/22/43/1080052243.db2.gz BOCMTQWJWQUSFK-AUUYWEPGSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588490939 1080052249 /nfs/dbraw/zinc/05/22/49/1080052249.db2.gz BOCMTQWJWQUSFK-AUUYWEPGSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588488111 1080052496 /nfs/dbraw/zinc/05/24/96/1080052496.db2.gz XGAMRNYOSUPCJZ-HAQNSBGRSA-N -1 3 358.421 2.667 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588488111 1080052504 /nfs/dbraw/zinc/05/25/04/1080052504.db2.gz XGAMRNYOSUPCJZ-HAQNSBGRSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588494241 1080059371 /nfs/dbraw/zinc/05/93/71/1080059371.db2.gz QBZFUAMBEKRQOY-SGTLLEGYSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588494241 1080059381 /nfs/dbraw/zinc/05/93/81/1080059381.db2.gz QBZFUAMBEKRQOY-SGTLLEGYSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@](C)(CCOC)COC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588499942 1080061224 /nfs/dbraw/zinc/06/12/24/1080061224.db2.gz PJPNBEIBXSAFKH-LJQANCHMSA-N -1 3 358.442 2.798 20 30 FFEDHM C=C[C@](C)(CCOC)COC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588499942 1080061233 /nfs/dbraw/zinc/06/12/33/1080061233.db2.gz PJPNBEIBXSAFKH-LJQANCHMSA-N -1 3 358.442 2.798 20 30 FFEDHM C=C[C@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588499578 1080061623 /nfs/dbraw/zinc/06/16/23/1080061623.db2.gz KMNYDIJORGIDTH-SFHVURJKSA-N -1 3 351.366 2.535 20 30 FFEDHM C=C[C@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588499578 1080061632 /nfs/dbraw/zinc/06/16/32/1080061632.db2.gz KMNYDIJORGIDTH-SFHVURJKSA-N -1 3 351.366 2.535 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588518842 1080070065 /nfs/dbraw/zinc/07/00/65/1080070065.db2.gz MDSFQKOYEKBMPP-CJNGLKHVSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588518842 1080070071 /nfs/dbraw/zinc/07/00/71/1080070071.db2.gz MDSFQKOYEKBMPP-CJNGLKHVSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001588519198 1080071584 /nfs/dbraw/zinc/07/15/84/1080071584.db2.gz VBWOPFAOHHTWQL-OAHLLOKOSA-N -1 3 371.489 2.537 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001588519198 1080071590 /nfs/dbraw/zinc/07/15/90/1080071590.db2.gz VBWOPFAOHHTWQL-OAHLLOKOSA-N -1 3 371.489 2.537 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588520837 1080072812 /nfs/dbraw/zinc/07/28/12/1080072812.db2.gz FZICJSGLXIJRBP-UONOGXRCSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001588521440 1080073192 /nfs/dbraw/zinc/07/31/92/1080073192.db2.gz NJWLEXUZLFPLEJ-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001588521440 1080073198 /nfs/dbraw/zinc/07/31/98/1080073198.db2.gz NJWLEXUZLFPLEJ-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588524061 1080076046 /nfs/dbraw/zinc/07/60/46/1080076046.db2.gz OIQHTYSVSRYOCT-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588524061 1080076054 /nfs/dbraw/zinc/07/60/54/1080076054.db2.gz OIQHTYSVSRYOCT-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588538768 1080086148 /nfs/dbraw/zinc/08/61/48/1080086148.db2.gz XPYNPCDGRYYCHD-UHFFFAOYSA-N -1 3 369.473 2.562 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588538768 1080086156 /nfs/dbraw/zinc/08/61/56/1080086156.db2.gz XPYNPCDGRYYCHD-UHFFFAOYSA-N -1 3 369.473 2.562 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001588540888 1080087280 /nfs/dbraw/zinc/08/72/80/1080087280.db2.gz HCDMFRVLDIMZNO-LLVKDONJSA-N -1 3 358.471 2.946 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001588556193 1080094962 /nfs/dbraw/zinc/09/49/62/1080094962.db2.gz FYLYADCEXFCDOW-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001588556193 1080094972 /nfs/dbraw/zinc/09/49/72/1080094972.db2.gz FYLYADCEXFCDOW-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(O)CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC001588560353 1080097080 /nfs/dbraw/zinc/09/70/80/1080097080.db2.gz PMVSRHMVSGNOID-UHFFFAOYSA-N -1 3 364.247 2.537 20 30 FFEDHM C=CCCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001588567699 1080101533 /nfs/dbraw/zinc/10/15/33/1080101533.db2.gz XBBMZPNJSUAVMX-STQMWFEESA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001588567699 1080101535 /nfs/dbraw/zinc/10/15/35/1080101535.db2.gz XBBMZPNJSUAVMX-STQMWFEESA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCC[C@H](C)OC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588578107 1080106037 /nfs/dbraw/zinc/10/60/37/1080106037.db2.gz WFTOUOACIKDHCV-JSGCOSHPSA-N -1 3 359.405 2.730 20 30 FFEDHM C=CCCCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC1CC1 ZINC001588601481 1080120170 /nfs/dbraw/zinc/12/01/70/1080120170.db2.gz NSSHOENNDXDCEE-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCCCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC1CC1 ZINC001588601481 1080120173 /nfs/dbraw/zinc/12/01/73/1080120173.db2.gz NSSHOENNDXDCEE-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCCOCCCCC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588618026 1080123904 /nfs/dbraw/zinc/12/39/04/1080123904.db2.gz OLDMOVXDEHFLQR-QGZVFWFLSA-N -1 3 355.442 2.733 20 30 FFEDHM C=CCCOCCCCC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588618026 1080123907 /nfs/dbraw/zinc/12/39/07/1080123907.db2.gz OLDMOVXDEHFLQR-QGZVFWFLSA-N -1 3 355.442 2.733 20 30 FFEDHM C=CCN(CC(=O)N1[C@@H](C)CCC[C@@H]1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588627580 1080127053 /nfs/dbraw/zinc/12/70/53/1080127053.db2.gz ADFGTYZRQRIUHK-HOTGVXAUSA-N -1 3 368.485 2.644 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588635062 1080130592 /nfs/dbraw/zinc/13/05/92/1080130592.db2.gz CICTVXNPEITJIM-UHFFFAOYSA-N -1 3 351.385 2.877 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588635062 1080130595 /nfs/dbraw/zinc/13/05/95/1080130595.db2.gz CICTVXNPEITJIM-UHFFFAOYSA-N -1 3 351.385 2.877 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C(C)C)C1CC1 ZINC001588639605 1080133462 /nfs/dbraw/zinc/13/34/62/1080133462.db2.gz CUDDPIKINLCWFD-KRWDZBQOSA-N -1 3 354.458 2.999 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C(C)C)C1CC1 ZINC001588639605 1080133466 /nfs/dbraw/zinc/13/34/66/1080133466.db2.gz CUDDPIKINLCWFD-KRWDZBQOSA-N -1 3 354.458 2.999 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(O)c(CC)c1 ZINC001588648492 1080138540 /nfs/dbraw/zinc/13/85/40/1080138540.db2.gz PWECKGQSEMVGAB-UHFFFAOYSA-N -1 3 363.421 2.963 20 30 FFEDHM C=CCN(Cc1ncnn1-c1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652143 1080142428 /nfs/dbraw/zinc/14/24/28/1080142428.db2.gz LLXCBSGBMRSKPH-UHFFFAOYSA-N -1 3 372.436 2.636 20 30 FFEDHM C=CCN(Cc1ncnn1-c1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652143 1080142435 /nfs/dbraw/zinc/14/24/35/1080142435.db2.gz LLXCBSGBMRSKPH-UHFFFAOYSA-N -1 3 372.436 2.636 20 30 FFEDHM C=CCNc1nnc(SCc2cn3ccccc3c2-c2nnn[n-]2)s1 ZINC001588665208 1080146909 /nfs/dbraw/zinc/14/69/09/1080146909.db2.gz HJVLPCZDHABTHK-UHFFFAOYSA-N -1 3 370.467 2.861 20 30 FFEDHM C=CCNc1nnc(SCc2cn3ccccc3c2-c2nn[n-]n2)s1 ZINC001588665208 1080146912 /nfs/dbraw/zinc/14/69/12/1080146912.db2.gz HJVLPCZDHABTHK-UHFFFAOYSA-N -1 3 370.467 2.861 20 30 FFEDHM C=C[C@H](C(=O)[O-])N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001588663383 1080146938 /nfs/dbraw/zinc/14/69/38/1080146938.db2.gz MCUCFBOFXVWOHV-QJPTWQEYSA-N -1 3 366.380 2.651 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC001588689905 1080155584 /nfs/dbraw/zinc/15/55/84/1080155584.db2.gz VHVYOEKASAEUAE-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC001588689905 1080155588 /nfs/dbraw/zinc/15/55/88/1080155588.db2.gz VHVYOEKASAEUAE-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588689045 1080156150 /nfs/dbraw/zinc/15/61/50/1080156150.db2.gz WIGCIYOZXYWOMR-SANMLTNESA-N -1 3 367.434 2.649 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588689045 1080156155 /nfs/dbraw/zinc/15/61/55/1080156155.db2.gz WIGCIYOZXYWOMR-SANMLTNESA-N -1 3 367.434 2.649 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CCSC ZINC001588696362 1080159109 /nfs/dbraw/zinc/15/91/09/1080159109.db2.gz KYRPMEKDQZMMSC-UHFFFAOYSA-N -1 3 370.486 2.501 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CCSC ZINC001588696362 1080159111 /nfs/dbraw/zinc/15/91/11/1080159111.db2.gz KYRPMEKDQZMMSC-UHFFFAOYSA-N -1 3 370.486 2.501 20 30 FFEDHM C=CCc1cc(CNc2ncccc2-c2nnn[n-]2)cc(OC)c1OC ZINC001588694491 1080159352 /nfs/dbraw/zinc/15/93/52/1080159352.db2.gz KGSIVLPPXHOLKW-UHFFFAOYSA-N -1 3 352.398 2.620 20 30 FFEDHM C=CCc1cc(CNc2ncccc2-c2nn[n-]n2)cc(OC)c1OC ZINC001588694491 1080159357 /nfs/dbraw/zinc/15/93/57/1080159357.db2.gz KGSIVLPPXHOLKW-UHFFFAOYSA-N -1 3 352.398 2.620 20 30 FFEDHM C=CCc1ccccc1OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588695232 1080159901 /nfs/dbraw/zinc/15/99/01/1080159901.db2.gz RQVJWMQKMRJWJN-CYBMUJFWSA-N -1 3 350.378 2.968 20 30 FFEDHM C=CCc1ccccc1OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588695232 1080159906 /nfs/dbraw/zinc/15/99/06/1080159906.db2.gz RQVJWMQKMRJWJN-CYBMUJFWSA-N -1 3 350.378 2.968 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001588700851 1080160980 /nfs/dbraw/zinc/16/09/80/1080160980.db2.gz YWWCGGYJSNXJGG-CALCHBBNSA-N -1 3 374.452 2.714 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001588700851 1080160983 /nfs/dbraw/zinc/16/09/83/1080160983.db2.gz YWWCGGYJSNXJGG-CALCHBBNSA-N -1 3 374.452 2.714 20 30 FFEDHM C=CCn1c([C@@H](C)CC)nnc1N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588704593 1080161700 /nfs/dbraw/zinc/16/17/00/1080161700.db2.gz MQWXAIXGVPDJFX-NSHDSACASA-N -1 3 358.475 2.856 20 30 FFEDHM C=CCn1c([C@@H](C)CC)nnc1N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588704593 1080161704 /nfs/dbraw/zinc/16/17/04/1080161704.db2.gz MQWXAIXGVPDJFX-NSHDSACASA-N -1 3 358.475 2.856 20 30 FFEDHM C=CCN(CC=C)C(=O)CN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588825535 1080209711 /nfs/dbraw/zinc/20/97/11/1080209711.db2.gz SUPQGJRHRCHHJN-DLBZAZTESA-N -1 3 362.857 2.641 20 30 FFEDHM CC(C)(C)c1ccc(C#N)c(N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001589221954 1080427971 /nfs/dbraw/zinc/42/79/71/1080427971.db2.gz QPEQBCARXYEKDX-UHFFFAOYSA-N -1 3 374.452 2.732 20 30 FFEDHM CC(C)(C)c1ccc(C#N)c(N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001589221954 1080427976 /nfs/dbraw/zinc/42/79/76/1080427976.db2.gz QPEQBCARXYEKDX-UHFFFAOYSA-N -1 3 374.452 2.732 20 30 FFEDHM CC(C)N(C)c1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cn1 ZINC001589678254 1080665440 /nfs/dbraw/zinc/66/54/40/1080665440.db2.gz ATOPVBOKQPTYAC-LZYBPNLTSA-N -1 3 360.421 2.929 20 30 FFEDHM CC(C)N(C)c1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cn1 ZINC001589678254 1080665442 /nfs/dbraw/zinc/66/54/42/1080665442.db2.gz ATOPVBOKQPTYAC-LZYBPNLTSA-N -1 3 360.421 2.929 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](CC#N)c1ccco1 ZINC001589894886 1080841336 /nfs/dbraw/zinc/84/13/36/1080841336.db2.gz NLRCJWWMFFTLFV-WBMJQRKESA-N -1 3 351.366 2.836 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](CC#N)c1ccco1 ZINC001589894886 1080841343 /nfs/dbraw/zinc/84/13/43/1080841343.db2.gz NLRCJWWMFFTLFV-WBMJQRKESA-N -1 3 351.366 2.836 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C#N)c1 ZINC001589936547 1080879004 /nfs/dbraw/zinc/87/90/04/1080879004.db2.gz DLTUJZYRHUTCBE-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C#N)c1 ZINC001589936547 1080879015 /nfs/dbraw/zinc/87/90/15/1080879015.db2.gz DLTUJZYRHUTCBE-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001590050741 1080979482 /nfs/dbraw/zinc/97/94/82/1080979482.db2.gz TWFRLQXYTVUOGS-LLVKDONJSA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001590050741 1080979487 /nfs/dbraw/zinc/97/94/87/1080979487.db2.gz TWFRLQXYTVUOGS-LLVKDONJSA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC001590054486 1080982172 /nfs/dbraw/zinc/98/21/72/1080982172.db2.gz KUIJGEXJVVHJSF-HNNXBMFYSA-N -1 3 365.224 2.939 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC001590054486 1080982177 /nfs/dbraw/zinc/98/21/77/1080982177.db2.gz KUIJGEXJVVHJSF-HNNXBMFYSA-N -1 3 365.224 2.939 20 30 FFEDHM C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC001590285206 1081140013 /nfs/dbraw/zinc/14/00/13/1081140013.db2.gz PLWVGHCKWOZOLY-KDOFPFPSSA-N -1 3 372.432 2.695 20 30 FFEDHM Cc1nc(Cn2cc(C(=O)[N-]c3cc(C(C)(C)C)sc3C#N)nn2)no1 ZINC000278762744 256345308 /nfs/dbraw/zinc/34/53/08/256345308.db2.gz NSAOHWOFUVDJLA-UHFFFAOYSA-N -1 3 371.426 2.501 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2c(n1)CCCC2 ZINC000278322531 256299677 /nfs/dbraw/zinc/29/96/77/256299677.db2.gz DHRMVCXYYJBAPY-UHFFFAOYSA-N -1 3 364.449 2.799 20 30 FFEDHM Cc1cccc(CCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000289104489 257256796 /nfs/dbraw/zinc/25/67/96/257256796.db2.gz RZVOLKVPMPXOIV-UHFFFAOYSA-N -1 3 352.438 2.661 20 30 FFEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2ncsc2Br)n1 ZINC000289250489 257269256 /nfs/dbraw/zinc/26/92/56/257269256.db2.gz POEDCQNKXNUYBX-UHFFFAOYSA-N -1 3 354.233 2.981 20 30 FFEDHM C=CCOc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000055724459 506835154 /nfs/dbraw/zinc/83/51/54/506835154.db2.gz KBUVARINOXTENM-UHFFFAOYSA-N -1 3 366.464 2.620 20 30 FFEDHM O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1)NC1CC1 ZINC000056810080 507098484 /nfs/dbraw/zinc/09/84/84/507098484.db2.gz RJVQDXFXLAMMLJ-UHFFFAOYSA-N -1 3 363.381 2.787 20 30 FFEDHM O=C(Nc1cccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1)NC1CC1 ZINC000056810080 507098493 /nfs/dbraw/zinc/09/84/93/507098493.db2.gz RJVQDXFXLAMMLJ-UHFFFAOYSA-N -1 3 363.381 2.787 20 30 FFEDHM O=C(Nc1cccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1)NC1CC1 ZINC000056810080 507098503 /nfs/dbraw/zinc/09/85/03/507098503.db2.gz RJVQDXFXLAMMLJ-UHFFFAOYSA-N -1 3 363.381 2.787 20 30 FFEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000029329271 507775156 /nfs/dbraw/zinc/77/51/56/507775156.db2.gz KLYDXLKPGWFWDZ-UHFFFAOYSA-N -1 3 361.423 2.804 20 30 FFEDHM Cc1ccccc1O[C@@H](C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000078230537 507847436 /nfs/dbraw/zinc/84/74/36/507847436.db2.gz GTRDRRZYYXNIMW-AWEZNQCLSA-N -1 3 367.449 2.688 20 30 FFEDHM C=C[C@@H](CC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000091753124 508008162 /nfs/dbraw/zinc/00/81/62/508008162.db2.gz KBBWEKFUSDWJAC-MAUKXSAKSA-N -1 3 363.417 2.736 20 30 FFEDHM C=CCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000091810852 508015010 /nfs/dbraw/zinc/01/50/10/508015010.db2.gz YCTYIMYSKZUSDV-UHFFFAOYSA-N -1 3 352.434 2.915 20 30 FFEDHM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731360 508206840 /nfs/dbraw/zinc/20/68/40/508206840.db2.gz DVGKEEHXVZICGP-MRVPVSSYSA-N -1 3 351.357 2.889 20 30 FFEDHM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731360 508206842 /nfs/dbraw/zinc/20/68/42/508206842.db2.gz DVGKEEHXVZICGP-MRVPVSSYSA-N -1 3 351.357 2.889 20 30 FFEDHM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731360 508206845 /nfs/dbraw/zinc/20/68/45/508206845.db2.gz DVGKEEHXVZICGP-MRVPVSSYSA-N -1 3 351.357 2.889 20 30 FFEDHM CCCC1N=NC(=S)N1CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076687035 508241640 /nfs/dbraw/zinc/24/16/40/508241640.db2.gz NHIQFDGXOIGRNZ-UHFFFAOYSA-N -1 3 361.406 2.732 20 30 FFEDHM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C)NC1=O ZINC000103796125 508322560 /nfs/dbraw/zinc/32/25/60/508322560.db2.gz IDTHPZACPUQRNR-AAEUAGOBSA-N -1 3 360.373 2.783 20 30 FFEDHM COc1ccc([O-])c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104918454 508352104 /nfs/dbraw/zinc/35/21/04/508352104.db2.gz DHUFDDDOOQINNL-UHFFFAOYSA-N -1 3 352.390 2.956 20 30 FFEDHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000157108647 508523564 /nfs/dbraw/zinc/52/35/64/508523564.db2.gz ZHWNZPXDGMEQPN-UHFFFAOYSA-N -1 3 353.444 2.764 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1 ZINC000157606760 508587368 /nfs/dbraw/zinc/58/73/68/508587368.db2.gz ZVILHFHDOFAJFC-MRXNPFEDSA-N -1 3 359.426 2.645 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000157835390 508620011 /nfs/dbraw/zinc/62/00/11/508620011.db2.gz JFEYXWBJPLRHLM-STQMWFEESA-N -1 3 362.373 2.813 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000128798210 508645002 /nfs/dbraw/zinc/64/50/02/508645002.db2.gz ZHMMLIIHAFATMH-OAQYLSRUSA-N -1 3 363.417 2.570 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cc2ccccc2o1 ZINC000123714862 508729491 /nfs/dbraw/zinc/72/94/91/508729491.db2.gz HUNYITGHCHYTMH-UHFFFAOYSA-N -1 3 363.417 2.901 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000139422478 508788713 /nfs/dbraw/zinc/78/87/13/508788713.db2.gz PUFLMWDVJNTMNI-ZDUSSCGKSA-N -1 3 363.421 2.550 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000124332263 508816503 /nfs/dbraw/zinc/81/65/03/508816503.db2.gz NOGDELDRNCOQNE-HUUCEWRRSA-N -1 3 364.858 2.870 20 30 FFEDHM Cc1cccnc1C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155197881 508945673 /nfs/dbraw/zinc/94/56/73/508945673.db2.gz IFYKTNOYPDLBAI-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000125340289 508968276 /nfs/dbraw/zinc/96/82/76/508968276.db2.gz PQNIODMZWCOVEF-CYBMUJFWSA-N -1 3 356.856 2.594 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000151308767 508996996 /nfs/dbraw/zinc/99/69/96/508996996.db2.gz KBYWSUIALSOFNN-OAQYLSRUSA-N -1 3 369.465 2.950 20 30 FFEDHM CCCOc1ccc(/C=N/[C@@H]2CCCN(c3ccn(C)n3)C2=O)c([O-])c1 ZINC000132395348 509026146 /nfs/dbraw/zinc/02/61/46/509026146.db2.gz WIQDOHFLIJWNTG-RBYWHNRPSA-N -1 3 356.426 2.529 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)cc1OC ZINC000161130072 509075064 /nfs/dbraw/zinc/07/50/64/509075064.db2.gz MNCIRHZTZZVZGY-CYBMUJFWSA-N -1 3 356.419 2.594 20 30 FFEDHM Cn1c2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)ccc2[nH]c1=O ZINC000152077880 509141677 /nfs/dbraw/zinc/14/16/77/509141677.db2.gz LTXQKBKKDTYRMU-LLVKDONJSA-N -1 3 360.295 2.770 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000156300997 509157238 /nfs/dbraw/zinc/15/72/38/509157238.db2.gz VFUMFWZKFWSFPN-ZDUSSCGKSA-N -1 3 367.449 2.639 20 30 FFEDHM CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248478133 509338974 /nfs/dbraw/zinc/33/89/74/509338974.db2.gz PJCKDCFYDIBZNK-VJBOLBCHSA-N -1 3 374.915 2.570 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192227172 509415780 /nfs/dbraw/zinc/41/57/80/509415780.db2.gz XPGIBWPTTOMDGJ-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192269779 509436115 /nfs/dbraw/zinc/43/61/15/509436115.db2.gz NBQHCKSDCYYSQF-KSSFIOAISA-N -1 3 360.410 2.753 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000179777663 509617625 /nfs/dbraw/zinc/61/76/25/509617625.db2.gz XJJZOMJURIHBQS-ZDUSSCGKSA-N -1 3 372.469 2.703 20 30 FFEDHM COc1cccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186290415 509626876 /nfs/dbraw/zinc/62/68/76/509626876.db2.gz XGKMZRSRCRUSJG-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000179953818 509685907 /nfs/dbraw/zinc/68/59/07/509685907.db2.gz KFBNTLNXWLBMRX-GFCCVEGCSA-N -1 3 358.529 2.696 20 30 FFEDHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180030004 509717758 /nfs/dbraw/zinc/71/77/58/509717758.db2.gz LLWPLQHBYIBBBU-GFCCVEGCSA-N -1 3 351.859 2.850 20 30 FFEDHM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180098129 509750799 /nfs/dbraw/zinc/75/07/99/509750799.db2.gz MNKPVUWXRADHHH-XJKSGUPXSA-N -1 3 356.875 2.941 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)c(Cl)c1 ZINC000183538133 509848689 /nfs/dbraw/zinc/84/86/89/509848689.db2.gz ZSWWFKZQODMUTM-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000193706023 510030254 /nfs/dbraw/zinc/03/02/54/510030254.db2.gz GFWOUKKEVRLRLA-UHFFFAOYSA-N -1 3 374.809 2.740 20 30 FFEDHM CCN1CCN(Cc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)CC1 ZINC000190510917 510174878 /nfs/dbraw/zinc/17/48/78/510174878.db2.gz PQGYKYHJTCJEJT-UHFFFAOYSA-N -1 3 364.449 2.654 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C2CCN([C@H](C)c3ccncc3)CC2)c1[O-] ZINC000269576586 510469504 /nfs/dbraw/zinc/46/95/04/510469504.db2.gz CSVSAOGYFVYNMN-AQXNZCSYSA-N -1 3 354.454 2.627 20 30 FFEDHM C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)C(C)C ZINC000262957232 510494564 /nfs/dbraw/zinc/49/45/64/510494564.db2.gz IQZVOZXNDKQSTR-ABSDTBQOSA-N -1 3 363.502 2.581 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCO[C@@H]1CC(C)C ZINC000184814398 510527370 /nfs/dbraw/zinc/52/73/70/510527370.db2.gz SZNJSSTUPLUOCY-ZWKOTPCHSA-N -1 3 359.470 2.506 20 30 FFEDHM CCS[C@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000175255350 510554319 /nfs/dbraw/zinc/55/43/19/510554319.db2.gz RAXQLXZEIQXSJQ-IRXDYDNUSA-N -1 3 361.511 2.977 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)OCC ZINC000270043100 510648702 /nfs/dbraw/zinc/64/87/02/510648702.db2.gz AIXVPBDZHWKZBH-HNNXBMFYSA-N -1 3 370.446 2.576 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc(Br)c1 ZINC000195455952 510831003 /nfs/dbraw/zinc/83/10/03/510831003.db2.gz PYILQJJHCNHDDH-CQSZACIVSA-N -1 3 356.183 2.715 20 30 FFEDHM Cn1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(-c2ccccc2)n1 ZINC000182325273 510850812 /nfs/dbraw/zinc/85/08/12/510850812.db2.gz SMPNPIRMDDEEFK-UHFFFAOYSA-N -1 3 370.409 2.576 20 30 FFEDHM C=CCN(C)C(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCCS2 ZINC000275798585 510917787 /nfs/dbraw/zinc/91/77/87/510917787.db2.gz ZEBLHPICKZFRES-UHFFFAOYSA-N -1 3 368.480 2.546 20 30 FFEDHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330901576 511027268 /nfs/dbraw/zinc/02/72/68/511027268.db2.gz KOTFHBWTKAJOLR-UONOGXRCSA-N -1 3 353.488 2.626 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)ccc1F ZINC000330897140 511027292 /nfs/dbraw/zinc/02/72/92/511027292.db2.gz TUELMBBQJGGYCK-MWLCHTKSSA-N -1 3 357.407 2.596 20 30 FFEDHM CCn1cc(S(=O)(=O)[N-]C2(C#N)CCC(C(C)(C)C)CC2)nc1C ZINC000330941444 511031327 /nfs/dbraw/zinc/03/13/27/511031327.db2.gz CLHMNEUDORDAGC-UHFFFAOYSA-N -1 3 352.504 2.988 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1[O-] ZINC000299429360 511632506 /nfs/dbraw/zinc/63/25/06/511632506.db2.gz BTVMXGXXBHDCDK-DSFPGIFRSA-N -1 3 355.438 2.952 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H](C)C(=O)OC(C)(C)C)no1 ZINC000280956641 511666415 /nfs/dbraw/zinc/66/64/15/511666415.db2.gz UNFPACWGOYDNNN-NSHDSACASA-N -1 3 372.425 2.889 20 30 FFEDHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)n1 ZINC000296441346 511744479 /nfs/dbraw/zinc/74/44/79/511744479.db2.gz WBIWFKHGFPCDMK-UHFFFAOYSA-N -1 3 353.444 2.897 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccc(F)cc2n1C ZINC000274336371 511799216 /nfs/dbraw/zinc/79/92/16/511799216.db2.gz SNTOLZITWCGENL-UHFFFAOYSA-N -1 3 367.384 2.873 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000315729455 511801530 /nfs/dbraw/zinc/80/15/30/511801530.db2.gz DVZRMOUUDHCSEI-SECBINFHSA-N -1 3 368.680 2.708 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000284989175 511959484 /nfs/dbraw/zinc/95/94/84/511959484.db2.gz FIIKIUZGSZMBFR-GFCCVEGCSA-N -1 3 363.302 2.514 20 30 FFEDHM CS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)c1 ZINC000275012511 512015595 /nfs/dbraw/zinc/01/55/95/512015595.db2.gz XQXGLRAMXVTFTF-UHFFFAOYSA-N -1 3 373.409 2.627 20 30 FFEDHM C[C@H](NC(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(C)(F)F ZINC000411571760 512696013 /nfs/dbraw/zinc/69/60/13/512696013.db2.gz HLAIORZOAHQNDH-QUBYGPBYSA-N -1 3 374.256 2.844 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000376523637 512857424 /nfs/dbraw/zinc/85/74/24/512857424.db2.gz WPMLCLMAWBTFHM-HXPMCKFVSA-N -1 3 369.396 2.986 20 30 FFEDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000440378637 513304151 /nfs/dbraw/zinc/30/41/51/513304151.db2.gz AOPDPQVYQFBGFG-QWHCGFSZSA-N -1 3 362.373 2.669 20 30 FFEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]CC(=O)C1CCC(F)(F)CC1 ZINC000425194706 513446851 /nfs/dbraw/zinc/44/68/51/513446851.db2.gz PCGWVGHJXVUMCD-UHFFFAOYSA-N -1 3 374.384 2.511 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)F ZINC000451078408 513502977 /nfs/dbraw/zinc/50/29/77/513502977.db2.gz FERTZWWFRVXHKO-SNVBAGLBSA-N -1 3 353.188 2.643 20 30 FFEDHM C=CCC(CC=C)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441404161 513560606 /nfs/dbraw/zinc/56/06/06/513560606.db2.gz RIOPKMWQDGNCBM-UHFFFAOYSA-N -1 3 374.865 2.642 20 30 FFEDHM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000435429295 513582574 /nfs/dbraw/zinc/58/25/74/513582574.db2.gz VOQDFQYFWUJJOH-NSHDSACASA-N -1 3 366.464 2.546 20 30 FFEDHM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443067635 513861140 /nfs/dbraw/zinc/86/11/40/513861140.db2.gz FPJIQEWKGQXQLH-OCCSQVGLSA-N -1 3 351.428 2.960 20 30 FFEDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H](C)O1 ZINC000416609826 513865460 /nfs/dbraw/zinc/86/54/60/513865460.db2.gz VUMVJYTXOBTIIA-FOGDFJRCSA-N -1 3 362.373 2.669 20 30 FFEDHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443095606 513870563 /nfs/dbraw/zinc/87/05/63/513870563.db2.gz OTZZPPYAAHBIAY-UHFFFAOYSA-N -1 3 374.853 2.848 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC(C)C ZINC000416655828 513891392 /nfs/dbraw/zinc/89/13/92/513891392.db2.gz XCYFUBGSQRQZSN-GFCCVEGCSA-N -1 3 364.389 2.916 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000443223270 513904921 /nfs/dbraw/zinc/90/49/21/513904921.db2.gz GMAAOTGQSHWLKR-UHFFFAOYSA-N -1 3 368.430 2.611 20 30 FFEDHM C=CCC1(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCCCC1 ZINC000448866845 513940807 /nfs/dbraw/zinc/94/08/07/513940807.db2.gz ISGRPCSRKQFWDR-FQEVSTJZSA-N -1 3 369.465 2.884 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(CN(C)C)c2)n1 ZINC000436696639 513947931 /nfs/dbraw/zinc/94/79/31/513947931.db2.gz JVCVCRKXIQKYDJ-CQSZACIVSA-N -1 3 357.435 2.871 20 30 FFEDHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443973039 514087891 /nfs/dbraw/zinc/08/78/91/514087891.db2.gz YTUYTVGDKGPOFY-UHFFFAOYSA-N -1 3 355.891 2.612 20 30 FFEDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000452073600 514174957 /nfs/dbraw/zinc/17/49/57/514174957.db2.gz VPWUZIRDNRHPOI-CHWSQXEVSA-N -1 3 373.272 2.557 20 30 FFEDHM N#C[C@H]1CSCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444295618 514185479 /nfs/dbraw/zinc/18/54/79/514185479.db2.gz YPIIVVZNKCWTJI-INIZCTEOSA-N -1 3 352.415 2.704 20 30 FFEDHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3cccc(C#N)c3)cccc21 ZINC000432497123 514211121 /nfs/dbraw/zinc/21/11/21/514211121.db2.gz NUJFYEYOTNAQIU-QGZVFWFLSA-N -1 3 357.435 2.744 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420697229 514245490 /nfs/dbraw/zinc/24/54/90/514245490.db2.gz ZGJPCDKDHDDJAV-UHFFFAOYSA-N -1 3 355.790 2.812 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(Oc2ccccc2)nc1 ZINC000428238877 514430672 /nfs/dbraw/zinc/43/06/72/514430672.db2.gz FQDHEMLGCKECIC-UHFFFAOYSA-N -1 3 366.402 2.619 20 30 FFEDHM C[C@H](COc1ccc(C(C)(C)C)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428244999 514431398 /nfs/dbraw/zinc/43/13/98/514431398.db2.gz ZWTHOESPXBLMFW-CQSZACIVSA-N -1 3 373.478 2.997 20 30 FFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Br)c2c(c1)OCCO2 ZINC000417622937 514440539 /nfs/dbraw/zinc/44/05/39/514440539.db2.gz IECMKNFOHWRIAC-LLVKDONJSA-N -1 3 356.216 2.729 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000428378619 514461185 /nfs/dbraw/zinc/46/11/85/514461185.db2.gz APYWPHBJQOVCRR-CABZTGNLSA-N -1 3 351.790 2.580 20 30 FFEDHM CC[C@@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428409237 514469587 /nfs/dbraw/zinc/46/95/87/514469587.db2.gz LXMAZSSITUBMQB-CQSZACIVSA-N -1 3 359.451 2.918 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]C2CCC(Oc3ncccc3C#N)CC2)o1 ZINC000445699747 514506925 /nfs/dbraw/zinc/50/69/25/514506925.db2.gz NSXMOJLOPHAVKF-UHFFFAOYSA-N -1 3 361.423 2.523 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445728008 514511275 /nfs/dbraw/zinc/51/12/75/514511275.db2.gz WJHPTNWVSBKKJI-LLVKDONJSA-N -1 3 350.362 2.822 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445728009 514511775 /nfs/dbraw/zinc/51/17/75/514511775.db2.gz WJHPTNWVSBKKJI-NSHDSACASA-N -1 3 350.362 2.822 20 30 FFEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1ccc(C#N)cc1 ZINC000461227057 514546699 /nfs/dbraw/zinc/54/66/99/514546699.db2.gz CGFPORRYCZDVDW-UHFFFAOYSA-N -1 3 351.797 2.610 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCn2cnc3ccccc32)c1 ZINC000475586542 514723648 /nfs/dbraw/zinc/72/36/48/514723648.db2.gz DCPVEBSTHOZKAD-UHFFFAOYSA-N -1 3 360.826 2.540 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000461791162 514740478 /nfs/dbraw/zinc/74/04/78/514740478.db2.gz MOMXGMDHCAUEPI-ZDUSSCGKSA-N -1 3 356.875 2.679 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(I)cc1C ZINC000462076615 514867978 /nfs/dbraw/zinc/86/79/78/514867978.db2.gz UMPPQWNVJBZVQS-SNVBAGLBSA-N -1 3 364.208 2.644 20 30 FFEDHM N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc([O-])cc2F)c1 ZINC000476155472 514932263 /nfs/dbraw/zinc/93/22/63/514932263.db2.gz MAXVVTVNKVXYBR-KRWDZBQOSA-N -1 3 353.353 2.533 20 30 FFEDHM C=C(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(F)c(F)c1 ZINC000476217966 514952760 /nfs/dbraw/zinc/95/27/60/514952760.db2.gz NZWGNTUDNXHHIM-OAHLLOKOSA-N -1 3 371.361 2.940 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000503790385 515141926 /nfs/dbraw/zinc/14/19/26/515141926.db2.gz LEFRHPHIWDCTME-ZDUSSCGKSA-N -1 3 354.815 2.861 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1C#N ZINC000476924080 515251391 /nfs/dbraw/zinc/25/13/91/515251391.db2.gz DCOIWKACVYQXKN-UHFFFAOYSA-N -1 3 372.450 2.573 20 30 FFEDHM CN(C)c1nc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc(=O)[n-]1 ZINC000463327481 515443073 /nfs/dbraw/zinc/44/30/73/515443073.db2.gz GTOXRXGCCVEMQV-LBPRGKRZSA-N -1 3 366.208 2.550 20 30 FFEDHM C=CCCN(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000473191217 515532467 /nfs/dbraw/zinc/53/24/67/515532467.db2.gz BHUKXIXSGDELIR-UHFFFAOYSA-N -1 3 350.362 2.725 20 30 FFEDHM N#Cc1cccc(F)c1CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000493319331 515620500 /nfs/dbraw/zinc/62/05/00/515620500.db2.gz JGJSWKMOESUEOR-UHFFFAOYSA-N -1 3 365.324 2.599 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCO)CC1CCCCC1 ZINC000487200415 515796232 /nfs/dbraw/zinc/79/62/32/515796232.db2.gz INRCINLDGZLBBA-UHFFFAOYSA-N -1 3 359.470 2.610 20 30 FFEDHM CN1C(=O)c2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2C1=O ZINC000464413157 515815272 /nfs/dbraw/zinc/81/52/72/515815272.db2.gz CBDJHOLZIXIUKS-CYBMUJFWSA-N -1 3 373.290 2.816 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1cc(C(F)(F)F)ccn1 ZINC000464475264 515839302 /nfs/dbraw/zinc/83/93/02/515839302.db2.gz MUUHAMJBLGOOTL-NSHDSACASA-N -1 3 361.279 2.921 20 30 FFEDHM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000487421825 515856129 /nfs/dbraw/zinc/85/61/29/515856129.db2.gz RUYFEQGZYZUCFX-UHFFFAOYSA-N -1 3 357.435 2.672 20 30 FFEDHM CCN(CC#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469626758 515894668 /nfs/dbraw/zinc/89/46/68/515894668.db2.gz CRONTISNHHRXAK-UHFFFAOYSA-N -1 3 368.618 2.930 20 30 FFEDHM CCN(CC#N)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469626758 515894674 /nfs/dbraw/zinc/89/46/74/515894674.db2.gz CRONTISNHHRXAK-UHFFFAOYSA-N -1 3 368.618 2.930 20 30 FFEDHM COC(=O)COc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000483218745 515990580 /nfs/dbraw/zinc/99/05/80/515990580.db2.gz IPLKGBGESVKXAZ-HNNXBMFYSA-N -1 3 361.357 2.672 20 30 FFEDHM C=CC[C@@H]1N(C(=O)c2cncc([N-]S(C)(=O)=O)c2)CCCC1(C)C ZINC000470297831 516197469 /nfs/dbraw/zinc/19/74/69/516197469.db2.gz KWIYFGHRIUKPBD-HNNXBMFYSA-N -1 3 351.472 2.660 20 30 FFEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000547712910 516515558 /nfs/dbraw/zinc/51/55/58/516515558.db2.gz ONQBJMDVWKVNDL-UHFFFAOYSA-N -1 3 359.451 2.738 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000518321595 516613264 /nfs/dbraw/zinc/61/32/64/516613264.db2.gz TXWCEBZRWXWOIK-CQSZACIVSA-N -1 3 364.327 2.741 20 30 FFEDHM C=CCCC1(c2nc(-c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)no2)CC1 ZINC000558269651 516673907 /nfs/dbraw/zinc/67/39/07/516673907.db2.gz DJMBKMHSLSDSDR-GOSISDBHSA-N -1 3 352.394 2.789 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccc(C#N)cc1 ZINC000544750797 516911299 /nfs/dbraw/zinc/91/12/99/516911299.db2.gz YKBOMFBDXHSBSJ-SECBINFHSA-N -1 3 355.213 2.953 20 30 FFEDHM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000558871457 516980730 /nfs/dbraw/zinc/98/07/30/516980730.db2.gz OVXCFKGWYMDSOW-CYBMUJFWSA-N -1 3 358.283 2.566 20 30 FFEDHM COc1ccccc1OCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000514908532 517117557 /nfs/dbraw/zinc/11/75/57/517117557.db2.gz NONRJIVXFRNLCX-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000559571368 517321323 /nfs/dbraw/zinc/32/13/23/517321323.db2.gz LWTQETYFWCARPC-UHFFFAOYSA-N -1 3 350.465 2.928 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-][C@@]1(C#N)CCc2ccccc2C1)c1ccccc1 ZINC000562706668 517322602 /nfs/dbraw/zinc/32/26/02/517322602.db2.gz BRBDZDBJHKYNJB-PMACEKPBSA-N -1 3 370.474 2.745 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccccc1Oc1ccccc1 ZINC000556410182 517415556 /nfs/dbraw/zinc/41/55/56/517415556.db2.gz GMCRPUDGMFQTEH-UHFFFAOYSA-N -1 3 371.418 2.936 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@]1(C#N)CCC[C@H](C)C1)c2=O ZINC000538323629 517565373 /nfs/dbraw/zinc/56/53/73/517565373.db2.gz QEVBESIDHQBLRK-JEOXALJRSA-N -1 3 357.385 2.878 20 30 FFEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000538672279 517714471 /nfs/dbraw/zinc/71/44/71/517714471.db2.gz BFCMAYPKINPHAX-OAHLLOKOSA-N -1 3 362.389 2.592 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000563492759 517934307 /nfs/dbraw/zinc/93/43/07/517934307.db2.gz ALTIQNXCUVYWBO-AWEZNQCLSA-N -1 3 352.431 2.858 20 30 FFEDHM CCOc1ncccc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000547082798 517979009 /nfs/dbraw/zinc/97/90/09/517979009.db2.gz WOLYXVFZKHVHPE-UHFFFAOYSA-N -1 3 365.393 2.905 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(C)o1 ZINC000539796863 518162164 /nfs/dbraw/zinc/16/21/64/518162164.db2.gz LGQJCCKMMQYJHQ-AWEZNQCLSA-N -1 3 352.387 2.655 20 30 FFEDHM C=CCCCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000563906149 518223639 /nfs/dbraw/zinc/22/36/39/518223639.db2.gz TYZBZOQZQHPTGH-UHFFFAOYSA-N -1 3 365.282 2.744 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000581451024 518291157 /nfs/dbraw/zinc/29/11/57/518291157.db2.gz JDKXSCXSGIXULW-UHFFFAOYSA-N -1 3 361.370 2.653 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000581978551 518528920 /nfs/dbraw/zinc/52/89/20/518528920.db2.gz VSOXUUITCBBDAP-MRXNPFEDSA-N -1 3 366.458 2.999 20 30 FFEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000567601712 518607846 /nfs/dbraw/zinc/60/78/46/518607846.db2.gz OYBFJKJOKLLYSJ-NXHRZFHOSA-N -1 3 350.484 2.636 20 30 FFEDHM C[C@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000570699080 518737812 /nfs/dbraw/zinc/73/78/12/518737812.db2.gz OZXRYYVXHGFXOI-CYBMUJFWSA-N -1 3 355.891 2.610 20 30 FFEDHM CO[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc4nccnc4n3)sc2C1 ZINC000579806350 518861541 /nfs/dbraw/zinc/86/15/41/518861541.db2.gz CBTOIOBFPFNBOT-SNVBAGLBSA-N -1 3 365.418 2.714 20 30 FFEDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2cncc(C#N)c2)c2ccccn2)cc1 ZINC000579941302 518929561 /nfs/dbraw/zinc/92/95/61/518929561.db2.gz KJSJWLFPWHDGRO-IBGZPJMESA-N -1 3 364.430 2.725 20 30 FFEDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000589222770 518957009 /nfs/dbraw/zinc/95/70/09/518957009.db2.gz DTWWKVRAOMNTLP-SNVBAGLBSA-N -1 3 362.407 2.594 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591260598 519564446 /nfs/dbraw/zinc/56/44/46/519564446.db2.gz VAVQGWXYEZUVEO-SNVBAGLBSA-N -1 3 365.333 2.830 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594482536 519990807 /nfs/dbraw/zinc/99/08/07/519990807.db2.gz BIWYCWGJGSKEHV-CABCVRRESA-N -1 3 353.875 2.507 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1C#N ZINC000594489406 519998617 /nfs/dbraw/zinc/99/86/17/519998617.db2.gz OJHOVULSOKKTJX-TZMCWYRMSA-N -1 3 362.373 2.645 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)c(Cl)c1 ZINC000594491845 519999954 /nfs/dbraw/zinc/99/99/54/519999954.db2.gz QXAFNZCLIPUDJT-CYBMUJFWSA-N -1 3 354.859 2.982 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CO)C1CCCC1 ZINC000594776259 520150843 /nfs/dbraw/zinc/15/08/43/520150843.db2.gz XHBWXBUATSMVOS-OAHLLOKOSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C)O1 ZINC000594785608 520157982 /nfs/dbraw/zinc/15/79/82/520157982.db2.gz SIGAYEDZIVTHSZ-ZWNOBZJWSA-N -1 3 350.465 2.927 20 30 FFEDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1 ZINC000594853011 520188871 /nfs/dbraw/zinc/18/88/71/520188871.db2.gz VQAWWECQCYCEEY-GHMZBOCLSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1 ZINC000594853013 520189177 /nfs/dbraw/zinc/18/91/77/520189177.db2.gz VQAWWECQCYCEEY-QWRGUYRKSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000592112022 520191073 /nfs/dbraw/zinc/19/10/73/520191073.db2.gz KRMSKQFUNATYGS-LDYMZIIASA-N -1 3 350.387 2.749 20 30 FFEDHM COCCOc1ccc(F)cc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594884682 520205334 /nfs/dbraw/zinc/20/53/34/520205334.db2.gz UZVOVPJGPZRFGU-UHFFFAOYSA-N -1 3 370.446 2.603 20 30 FFEDHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594884921 520206528 /nfs/dbraw/zinc/20/65/28/520206528.db2.gz ZHSKMDWUGGBPEH-UHFFFAOYSA-N -1 3 370.858 2.879 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2cc(C(F)(F)F)on2)CCCCC1 ZINC000603385151 520241856 /nfs/dbraw/zinc/24/18/56/520241856.db2.gz OHDCNGULKZBLIG-UHFFFAOYSA-N -1 3 351.350 2.587 20 30 FFEDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000600668628 520387476 /nfs/dbraw/zinc/38/74/76/520387476.db2.gz RLOAMZVZJMKDAI-ZTFGCOKTSA-N -1 3 368.474 2.775 20 30 FFEDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000595355468 520425584 /nfs/dbraw/zinc/42/55/84/520425584.db2.gz UPWZGBQDCSDDEK-IAGOWNOFSA-N -1 3 350.484 2.748 20 30 FFEDHM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000595391637 520444031 /nfs/dbraw/zinc/44/40/31/520444031.db2.gz OEKDQDJAHNPUQI-NVXWUHKLSA-N -1 3 350.484 2.544 20 30 FFEDHM CC[C@H]1CCCC[C@@H]1OCC(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000613345371 520456869 /nfs/dbraw/zinc/45/68/69/520456869.db2.gz JMTFLVPQKJOGTG-WMZOPIPTSA-N -1 3 367.453 2.793 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C1CCC1 ZINC000595419185 520459941 /nfs/dbraw/zinc/45/99/41/520459941.db2.gz WJJUHQSJQIKAGB-ZDUSSCGKSA-N -1 3 370.496 2.656 20 30 FFEDHM CC(C)(C)c1ccc(C#N)c(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000613412018 520488208 /nfs/dbraw/zinc/48/82/08/520488208.db2.gz YZBFYQCSWQXQRN-UHFFFAOYSA-N -1 3 364.449 2.919 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(Cl)ccc12 ZINC000617473398 520517491 /nfs/dbraw/zinc/51/74/91/520517491.db2.gz GPXPWTILSUQYMP-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c(F)c1 ZINC000610082355 520532174 /nfs/dbraw/zinc/53/21/74/520532174.db2.gz RQOACGAXPAHDQQ-UHFFFAOYSA-N -1 3 363.395 2.892 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)C[C@H](C)O ZINC000610163761 520566507 /nfs/dbraw/zinc/56/65/07/520566507.db2.gz LCAIQMAYVCNXTG-AWEZNQCLSA-N -1 3 367.449 2.618 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000598456940 520627208 /nfs/dbraw/zinc/62/72/08/520627208.db2.gz LOMAZRGOWQYCOB-PWIZWCRZSA-N -1 3 365.408 2.802 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN2Cc3ccccc3C2)c1 ZINC000613913226 520724020 /nfs/dbraw/zinc/72/40/20/520724020.db2.gz AYRIEFGLNQDYST-UHFFFAOYSA-N -1 3 361.854 2.506 20 30 FFEDHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000601376649 520764228 /nfs/dbraw/zinc/76/42/28/520764228.db2.gz NEAWHKSZQGMOIP-CYBMUJFWSA-N -1 3 372.372 2.762 20 30 FFEDHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000610739553 520823827 /nfs/dbraw/zinc/82/38/27/520823827.db2.gz CCNBNWJPQDXMSY-JQWIXIFHSA-N -1 3 362.373 2.670 20 30 FFEDHM CC1(C)Cc2nc([N-]C(=O)c3c(F)cc(C#N)cc3F)sc2C(=O)N1 ZINC000593351465 520929952 /nfs/dbraw/zinc/92/99/52/520929952.db2.gz YFWTZZYTNMHJJE-UHFFFAOYSA-N -1 3 362.361 2.610 20 30 FFEDHM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1nc(C#N)c(Cl)s1 ZINC000596137730 520934628 /nfs/dbraw/zinc/93/46/28/520934628.db2.gz CUOHPOTUPIEAEZ-SECBINFHSA-N -1 3 371.875 2.585 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1Cl ZINC000593525136 521049365 /nfs/dbraw/zinc/04/93/65/521049365.db2.gz JTJNWFNPPTXLOW-CYBMUJFWSA-N -1 3 369.899 2.854 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)OCCO2 ZINC000593534659 521057138 /nfs/dbraw/zinc/05/71/38/521057138.db2.gz OLBADHZUJSEHCI-GFCCVEGCSA-N -1 3 364.448 2.821 20 30 FFEDHM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593567876 521082167 /nfs/dbraw/zinc/08/21/67/521082167.db2.gz CXPRQFIOFMWQMV-GFCCVEGCSA-N -1 3 366.464 2.622 20 30 FFEDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c(C)c1OC ZINC000593596348 521098767 /nfs/dbraw/zinc/09/87/67/521098767.db2.gz QESQABODEONGNG-LLVKDONJSA-N -1 3 366.464 2.985 20 30 FFEDHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CCN1Cc1ccccc1 ZINC000593597668 521099085 /nfs/dbraw/zinc/09/90/85/521099085.db2.gz ZEGCOLRLHACFFJ-DZGCQCFKSA-N -1 3 361.492 2.561 20 30 FFEDHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CCN1Cc1ccccc1 ZINC000593597674 521099536 /nfs/dbraw/zinc/09/95/36/521099536.db2.gz ZEGCOLRLHACFFJ-ZFWWWQNUSA-N -1 3 361.492 2.561 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(F)cc2Br)CCCC1 ZINC000593619781 521110817 /nfs/dbraw/zinc/11/08/17/521110817.db2.gz CQXQXGDJCFJAPU-UHFFFAOYSA-N -1 3 361.236 2.950 20 30 FFEDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c1 ZINC000611773908 521324786 /nfs/dbraw/zinc/32/47/86/521324786.db2.gz OLSOILNRMDCIRY-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619776609 521864644 /nfs/dbraw/zinc/86/46/44/521864644.db2.gz DSTZRDCVEAURGW-UHFFFAOYSA-N -1 3 363.826 2.513 20 30 FFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)CC2(OCC)CCOCC2)c1 ZINC000629288766 522092078 /nfs/dbraw/zinc/09/20/78/522092078.db2.gz UAPCLXIUMMHPFH-UHFFFAOYSA-N -1 3 369.483 2.969 20 30 FFEDHM C=CCn1c([C@@H]2CCCS2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634341367 523357017 /nfs/dbraw/zinc/35/70/17/523357017.db2.gz VJWDYNXHNAJHSX-INIZCTEOSA-N -1 3 373.530 2.661 20 30 FFEDHM Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)[n-]1 ZINC000610569938 554531776 /nfs/dbraw/zinc/53/17/76/554531776.db2.gz LTFJXQAFQCJSBG-DOMZBBRYSA-N -1 3 358.471 2.558 20 30 FFEDHM Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)[n-]1 ZINC000610569939 554531808 /nfs/dbraw/zinc/53/18/08/554531808.db2.gz LTFJXQAFQCJSBG-IUODEOHRSA-N -1 3 358.471 2.558 20 30 FFEDHM Fc1ccc(-c2n[nH]cc2C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822753110 607252720 /nfs/dbraw/zinc/25/27/20/607252720.db2.gz DPJGEQVUEFKGKY-UHFFFAOYSA-N -1 3 362.372 2.520 20 30 FFEDHM Fc1ccc(-c2n[nH]cc2C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822753110 607252721 /nfs/dbraw/zinc/25/27/21/607252721.db2.gz DPJGEQVUEFKGKY-UHFFFAOYSA-N -1 3 362.372 2.520 20 30 FFEDHM Cc1cc(C)cc(OCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737257543 598918102 /nfs/dbraw/zinc/91/81/02/598918102.db2.gz VOYVAOTTZMATSG-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1cc(C)cc(OCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737257543 598918105 /nfs/dbraw/zinc/91/81/05/598918105.db2.gz VOYVAOTTZMATSG-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000737236696 598920252 /nfs/dbraw/zinc/92/02/52/598920252.db2.gz QPHDTCHWIMAGOA-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000737236696 598920254 /nfs/dbraw/zinc/92/02/54/598920254.db2.gz QPHDTCHWIMAGOA-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736179851 598921009 /nfs/dbraw/zinc/92/10/09/598921009.db2.gz GDURLLBHYKIVNJ-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736179851 598921011 /nfs/dbraw/zinc/92/10/11/598921011.db2.gz GDURLLBHYKIVNJ-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM Cc1cccc(C)c1OCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737389566 598921367 /nfs/dbraw/zinc/92/13/67/598921367.db2.gz KKSOEHZZZBQRSH-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1cccc(C)c1OCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737389566 598921369 /nfs/dbraw/zinc/92/13/69/598921369.db2.gz KKSOEHZZZBQRSH-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000737083825 598924833 /nfs/dbraw/zinc/92/48/33/598924833.db2.gz WEOUAXIXYMZFPK-UHFFFAOYSA-N -1 3 360.324 2.923 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)cc1 ZINC000735380940 599071386 /nfs/dbraw/zinc/07/13/86/599071386.db2.gz OQQWLBJVROVPLX-UHFFFAOYSA-N -1 3 363.377 2.530 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCC)cc1 ZINC000735380940 599071387 /nfs/dbraw/zinc/07/13/87/599071387.db2.gz OQQWLBJVROVPLX-UHFFFAOYSA-N -1 3 363.377 2.530 20 30 FFEDHM CCC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnn(C)c1 ZINC000736305861 599148347 /nfs/dbraw/zinc/14/83/47/599148347.db2.gz XHZPIPRBYVRRKI-UHFFFAOYSA-N -1 3 364.335 2.845 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC000737704527 599194164 /nfs/dbraw/zinc/19/41/64/599194164.db2.gz JRVJFEFCAQVTSY-HIFRSBDPSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC000737704527 599194167 /nfs/dbraw/zinc/19/41/67/599194167.db2.gz JRVJFEFCAQVTSY-HIFRSBDPSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1-c1nnn[n-]1 ZINC000737719112 599195556 /nfs/dbraw/zinc/19/55/56/599195556.db2.gz OWNGAMYAYTVWBR-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1-c1nn[n-]n1 ZINC000737719112 599195558 /nfs/dbraw/zinc/19/55/58/599195558.db2.gz OWNGAMYAYTVWBR-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2CCSc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737703625 599196381 /nfs/dbraw/zinc/19/63/81/599196381.db2.gz DKRXJSXLNOTDJF-HNNXBMFYSA-N -1 3 362.418 2.956 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2CCSc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737703625 599196384 /nfs/dbraw/zinc/19/63/84/599196384.db2.gz DKRXJSXLNOTDJF-HNNXBMFYSA-N -1 3 362.418 2.956 20 30 FFEDHM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822825703 599250530 /nfs/dbraw/zinc/25/05/30/599250530.db2.gz MCLRHBXVWLEBIJ-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822825703 599250531 /nfs/dbraw/zinc/25/05/31/599250531.db2.gz MCLRHBXVWLEBIJ-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1cnc(-c2ccccc2)n1 ZINC000735426949 599263483 /nfs/dbraw/zinc/26/34/83/599263483.db2.gz ZJLXYXQIQCIJMC-UHFFFAOYSA-N -1 3 372.436 2.771 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1cnc(-c2ccccc2)n1 ZINC000735426949 599263485 /nfs/dbraw/zinc/26/34/85/599263485.db2.gz ZJLXYXQIQCIJMC-UHFFFAOYSA-N -1 3 372.436 2.771 20 30 FFEDHM COc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821770896 599275096 /nfs/dbraw/zinc/27/50/96/599275096.db2.gz ZGZFSWGQLASEJG-NSHDSACASA-N -1 3 363.381 2.630 20 30 FFEDHM COc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821770896 599275099 /nfs/dbraw/zinc/27/50/99/599275099.db2.gz ZGZFSWGQLASEJG-NSHDSACASA-N -1 3 363.381 2.630 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nccc1-c1cccnc1 ZINC000735425800 598232213 /nfs/dbraw/zinc/23/22/13/598232213.db2.gz HLCXFNKVCGJWNW-UHFFFAOYSA-N -1 3 372.436 2.771 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC#Cc1ccccc1 ZINC000735874819 598428086 /nfs/dbraw/zinc/42/80/86/598428086.db2.gz MNEOWTOWMOGNQG-UHFFFAOYSA-N -1 3 374.448 2.838 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC#Cc1ccccc1 ZINC000735874819 598428087 /nfs/dbraw/zinc/42/80/87/598428087.db2.gz MNEOWTOWMOGNQG-UHFFFAOYSA-N -1 3 374.448 2.838 20 30 FFEDHM C#Cc1cccc(N(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735389794 598608455 /nfs/dbraw/zinc/60/84/55/598608455.db2.gz KENJYMWDQRYOMT-UHFFFAOYSA-N -1 3 361.405 2.668 20 30 FFEDHM Cc1c(C(=O)C=Cc2c[nH]nc2C(C)(C)C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201992 598640888 /nfs/dbraw/zinc/64/08/88/598640888.db2.gz IJHCEMMIWZCKTM-BQYQJAHWSA-N -1 3 365.441 2.840 20 30 FFEDHM Cc1c(C(=O)C=Cc2c[nH]nc2C(C)(C)C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201992 598640889 /nfs/dbraw/zinc/64/08/89/598640889.db2.gz IJHCEMMIWZCKTM-BQYQJAHWSA-N -1 3 365.441 2.840 20 30 FFEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1C#N ZINC000737003555 598683645 /nfs/dbraw/zinc/68/36/45/598683645.db2.gz XYDMIROQXMSQNN-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1C#N ZINC000737003555 598683646 /nfs/dbraw/zinc/68/36/46/598683646.db2.gz XYDMIROQXMSQNN-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)nc1 ZINC000735389797 598735630 /nfs/dbraw/zinc/73/56/30/598735630.db2.gz KLGBSKANOMDBLC-UHFFFAOYSA-N -1 3 360.421 2.541 20 30 FFEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)nc1 ZINC000735389797 598735631 /nfs/dbraw/zinc/73/56/31/598735631.db2.gz KLGBSKANOMDBLC-UHFFFAOYSA-N -1 3 360.421 2.541 20 30 FFEDHM COc1ccc(OC(F)F)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737110106 598789112 /nfs/dbraw/zinc/78/91/12/598789112.db2.gz XMRAFFGFKCYEDH-UHFFFAOYSA-N -1 3 360.324 2.923 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)c(F)c1 ZINC000737807713 599462385 /nfs/dbraw/zinc/46/23/85/599462385.db2.gz QGNBOQKXLHJLHO-HWKANZROSA-N -1 3 352.304 2.689 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)c(F)c1 ZINC000737807713 599462387 /nfs/dbraw/zinc/46/23/87/599462387.db2.gz QGNBOQKXLHJLHO-HWKANZROSA-N -1 3 352.304 2.689 20 30 FFEDHM C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820335338 599536639 /nfs/dbraw/zinc/53/66/39/599536639.db2.gz WKTOWBURLQGBKZ-GFCCVEGCSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820335338 599536642 /nfs/dbraw/zinc/53/66/42/599536642.db2.gz WKTOWBURLQGBKZ-GFCCVEGCSA-N -1 3 364.434 2.708 20 30 FFEDHM CC(C)(C)OC(=O)NC1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736282156 600564633 /nfs/dbraw/zinc/56/46/33/600564633.db2.gz RTZUPANJXASUAQ-INIZCTEOSA-N -1 3 359.426 2.673 20 30 FFEDHM COCCN(CC#Cc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826157626 607519319 /nfs/dbraw/zinc/51/93/19/607519319.db2.gz DSXFRRGAWQZTPW-UHFFFAOYSA-N -1 3 365.412 2.506 20 30 FFEDHM CCOc1ccc(C=NCc2ccc(OC)c(-c3nnn[n-]3)c2)c(O)c1 ZINC000825639156 607527270 /nfs/dbraw/zinc/52/72/70/607527270.db2.gz RMHFOCSXMWIDDX-YBFXNURJSA-N -1 3 353.382 2.599 20 30 FFEDHM CCOc1ccc(C=NCc2ccc(OC)c(-c3nn[n-]n3)c2)c(O)c1 ZINC000825639156 607527272 /nfs/dbraw/zinc/52/72/72/607527272.db2.gz RMHFOCSXMWIDDX-YBFXNURJSA-N -1 3 353.382 2.599 20 30 FFEDHM CN(C(=O)[O-])[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000739586642 601966237 /nfs/dbraw/zinc/96/62/37/601966237.db2.gz SVXNBVXWJLROCV-OLZOCXBDSA-N -1 3 372.450 2.547 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC#Cc2ccccc2Cl)nc1N ZINC000826383944 607543110 /nfs/dbraw/zinc/54/31/10/607543110.db2.gz YSJJKCOKVJJZKS-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC#Cc2ccccc2Cl)nc1N ZINC000826383944 607543112 /nfs/dbraw/zinc/54/31/12/607543112.db2.gz YSJJKCOKVJJZKS-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM C#CCN1CCC(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC000825614517 602259845 /nfs/dbraw/zinc/25/98/45/602259845.db2.gz PVBSBIWOKUWZHC-UHFFFAOYSA-N -1 3 366.417 2.587 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823915312 607674678 /nfs/dbraw/zinc/67/46/78/607674678.db2.gz UDZLDCIXJPSMHT-UHFFFAOYSA-N -1 3 358.405 2.875 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823915312 607674680 /nfs/dbraw/zinc/67/46/80/607674680.db2.gz UDZLDCIXJPSMHT-UHFFFAOYSA-N -1 3 358.405 2.875 20 30 FFEDHM N#CCC[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381636 607708216 /nfs/dbraw/zinc/70/82/16/607708216.db2.gz SPYUDLMAYBDPSC-QGZVFWFLSA-N -1 3 361.409 2.711 20 30 FFEDHM N#CCC[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381636 607708218 /nfs/dbraw/zinc/70/82/18/607708218.db2.gz SPYUDLMAYBDPSC-QGZVFWFLSA-N -1 3 361.409 2.711 20 30 FFEDHM CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916516 605468870 /nfs/dbraw/zinc/46/88/70/605468870.db2.gz MYVIZUGBWINRMY-UHFFFAOYSA-N -1 3 369.425 2.963 20 30 FFEDHM C=CCCOCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823899394 607770850 /nfs/dbraw/zinc/77/08/50/607770850.db2.gz VJENELOBURPTKB-UHFFFAOYSA-N -1 3 356.411 2.521 20 30 FFEDHM C=CCCOCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823899394 607770851 /nfs/dbraw/zinc/77/08/51/607770851.db2.gz VJENELOBURPTKB-UHFFFAOYSA-N -1 3 356.411 2.521 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822825937 606265701 /nfs/dbraw/zinc/26/57/01/606265701.db2.gz QZJWBCXRAXCQMW-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822825937 606265703 /nfs/dbraw/zinc/26/57/03/606265703.db2.gz QZJWBCXRAXCQMW-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOCC2)cc1 ZINC000822923180 606388302 /nfs/dbraw/zinc/38/83/02/606388302.db2.gz NTBIWTRGWMCDRC-ALCCZGGFSA-N -1 3 367.434 2.661 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000820116862 606504823 /nfs/dbraw/zinc/50/48/23/606504823.db2.gz QHZBKOMBGQPFQT-UHFFFAOYSA-N -1 3 360.421 2.718 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(C#N)c1 ZINC000820116862 606504825 /nfs/dbraw/zinc/50/48/25/606504825.db2.gz QHZBKOMBGQPFQT-UHFFFAOYSA-N -1 3 360.421 2.718 20 30 FFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)cs1 ZINC000821122970 606584761 /nfs/dbraw/zinc/58/47/61/606584761.db2.gz DUCVICHROLYBBL-UHFFFAOYSA-N -1 3 353.411 2.874 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820842593 606614172 /nfs/dbraw/zinc/61/41/72/606614172.db2.gz OAGOGHZWKYYNMU-CYBMUJFWSA-N -1 3 350.338 2.513 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820842593 606614174 /nfs/dbraw/zinc/61/41/74/606614174.db2.gz OAGOGHZWKYYNMU-CYBMUJFWSA-N -1 3 350.338 2.513 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)CC1CC1 ZINC000819976098 606630845 /nfs/dbraw/zinc/63/08/45/606630845.db2.gz LSOHMSIWUCPYAU-UHFFFAOYSA-N -1 3 356.434 2.581 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)CC1CC1 ZINC000819976098 606630847 /nfs/dbraw/zinc/63/08/47/606630847.db2.gz LSOHMSIWUCPYAU-UHFFFAOYSA-N -1 3 356.434 2.581 20 30 FFEDHM C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502399 606684741 /nfs/dbraw/zinc/68/47/41/606684741.db2.gz QTSRFHGMVAKEGM-SECBINFHSA-N -1 3 355.304 2.935 20 30 FFEDHM C[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502399 606684742 /nfs/dbraw/zinc/68/47/42/606684742.db2.gz QTSRFHGMVAKEGM-SECBINFHSA-N -1 3 355.304 2.935 20 30 FFEDHM N#Cc1cc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1F ZINC000822822871 606703426 /nfs/dbraw/zinc/70/34/26/606703426.db2.gz FYKNKYVZZKFXOF-UHFFFAOYSA-N -1 3 362.328 2.540 20 30 FFEDHM N#Cc1cc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1F ZINC000822822871 606703427 /nfs/dbraw/zinc/70/34/27/606703427.db2.gz FYKNKYVZZKFXOF-UHFFFAOYSA-N -1 3 362.328 2.540 20 30 FFEDHM N#Cc1cccc(-c2nnc(CNc3ccc(F)c(-c4nnn[n-]4)c3)o2)c1 ZINC000822837121 606704125 /nfs/dbraw/zinc/70/41/25/606704125.db2.gz FUWTVTNIRRTUCM-UHFFFAOYSA-N -1 3 362.328 2.540 20 30 FFEDHM N#Cc1cccc(-c2nnc(CNc3ccc(F)c(-c4nn[n-]n4)c3)o2)c1 ZINC000822837121 606704126 /nfs/dbraw/zinc/70/41/26/606704126.db2.gz FUWTVTNIRRTUCM-UHFFFAOYSA-N -1 3 362.328 2.540 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000820001501 606983358 /nfs/dbraw/zinc/98/33/58/606983358.db2.gz POPLNHVYOONCPC-UHFFFAOYSA-N -1 3 362.393 2.729 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000820001501 606983360 /nfs/dbraw/zinc/98/33/60/606983360.db2.gz POPLNHVYOONCPC-UHFFFAOYSA-N -1 3 362.393 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@]1(C)CCCS1 ZINC000819742856 606986066 /nfs/dbraw/zinc/98/60/66/606986066.db2.gz AVDVYBKLBFIXOE-SFHVURJKSA-N -1 3 372.498 2.850 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@]1(C)CCCS1 ZINC000819742856 606986068 /nfs/dbraw/zinc/98/60/68/606986068.db2.gz AVDVYBKLBFIXOE-SFHVURJKSA-N -1 3 372.498 2.850 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000826385340 607786066 /nfs/dbraw/zinc/78/60/66/607786066.db2.gz HYEIAEXERCIGGO-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000826385340 607786067 /nfs/dbraw/zinc/78/60/67/607786067.db2.gz HYEIAEXERCIGGO-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823856433 607886592 /nfs/dbraw/zinc/88/65/92/607886592.db2.gz RISJEWIQMXRXRN-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823856433 607886593 /nfs/dbraw/zinc/88/65/93/607886593.db2.gz RISJEWIQMXRXRN-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](OCC)C(=C)C ZINC000823909453 607888250 /nfs/dbraw/zinc/88/82/50/607888250.db2.gz DYXYXQUABCNSIZ-QGZVFWFLSA-N -1 3 355.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](OCC)C(=C)C ZINC000823909453 607888251 /nfs/dbraw/zinc/88/82/51/607888251.db2.gz DYXYXQUABCNSIZ-QGZVFWFLSA-N -1 3 355.442 2.753 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nc2c(s1)CCCC2 ZINC000823953534 608053792 /nfs/dbraw/zinc/05/37/92/608053792.db2.gz FMJUIIALURAXKL-UHFFFAOYSA-N -1 3 353.455 2.716 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nc2c(s1)CCCC2 ZINC000823953534 608053793 /nfs/dbraw/zinc/05/37/93/608053793.db2.gz FMJUIIALURAXKL-UHFFFAOYSA-N -1 3 353.455 2.716 20 30 FFEDHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000824715634 608183430 /nfs/dbraw/zinc/18/34/30/608183430.db2.gz TZYSXQVIDWIWEL-SECBINFHSA-N -1 3 355.304 2.935 20 30 FFEDHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000824715634 608183431 /nfs/dbraw/zinc/18/34/31/608183431.db2.gz TZYSXQVIDWIWEL-SECBINFHSA-N -1 3 355.304 2.935 20 30 FFEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000826387029 608301934 /nfs/dbraw/zinc/30/19/34/608301934.db2.gz CTDMZHAABMTZEJ-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000826387029 608301937 /nfs/dbraw/zinc/30/19/37/608301937.db2.gz CTDMZHAABMTZEJ-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000823932441 608346825 /nfs/dbraw/zinc/34/68/25/608346825.db2.gz YXFKYBRYBAEYSA-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000823932441 608346826 /nfs/dbraw/zinc/34/68/26/608346826.db2.gz YXFKYBRYBAEYSA-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM FC(F)Oc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826370428 608537988 /nfs/dbraw/zinc/53/79/88/608537988.db2.gz SAOGNCWNEBGNNH-UHFFFAOYSA-N -1 3 365.731 2.963 20 30 FFEDHM FC(F)Oc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826370428 608537989 /nfs/dbraw/zinc/53/79/89/608537989.db2.gz SAOGNCWNEBGNNH-UHFFFAOYSA-N -1 3 365.731 2.963 20 30 FFEDHM COc1ccc(CCNN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826192700 609160403 /nfs/dbraw/zinc/16/04/03/609160403.db2.gz XMRJSFMYWQNBBG-UHFFFAOYSA-N -1 3 354.389 2.571 20 30 FFEDHM COc1ccc(CCNN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826192700 609160405 /nfs/dbraw/zinc/16/04/05/609160405.db2.gz XMRJSFMYWQNBBG-UHFFFAOYSA-N -1 3 354.389 2.571 20 30 FFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000825559098 609272006 /nfs/dbraw/zinc/27/20/06/609272006.db2.gz BVKOTUGPFYRSHJ-DAXSKMNVSA-N -1 3 356.313 2.672 20 30 FFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000825559098 609272008 /nfs/dbraw/zinc/27/20/08/609272008.db2.gz BVKOTUGPFYRSHJ-DAXSKMNVSA-N -1 3 356.313 2.672 20 30 FFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000824763223 609307004 /nfs/dbraw/zinc/30/70/04/609307004.db2.gz LOEYXKCSYMWDKO-QMMMGPOBSA-N -1 3 364.394 2.710 20 30 FFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000824763223 609307007 /nfs/dbraw/zinc/30/70/07/609307007.db2.gz LOEYXKCSYMWDKO-QMMMGPOBSA-N -1 3 364.394 2.710 20 30 FFEDHM CC(C)(C#N)COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000824059215 609359789 /nfs/dbraw/zinc/35/97/89/609359789.db2.gz PBQGNSDAOQKJTA-UHFFFAOYSA-N -1 3 367.365 2.745 20 30 FFEDHM CC(C)(C#N)COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000824059215 609359790 /nfs/dbraw/zinc/35/97/90/609359790.db2.gz PBQGNSDAOQKJTA-UHFFFAOYSA-N -1 3 367.365 2.745 20 30 FFEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(C)n1 ZINC000826178190 609368698 /nfs/dbraw/zinc/36/86/98/609368698.db2.gz NKELTQOPIVPKBD-VOTSOKGWSA-N -1 3 353.357 2.922 20 30 FFEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(C)n1 ZINC000826178190 609368700 /nfs/dbraw/zinc/36/87/00/609368700.db2.gz NKELTQOPIVPKBD-VOTSOKGWSA-N -1 3 353.357 2.922 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823999660 609370360 /nfs/dbraw/zinc/37/03/60/609370360.db2.gz GESNFFQZPDGMEZ-RMKNXTFCSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823999660 609370361 /nfs/dbraw/zinc/37/03/61/609370361.db2.gz GESNFFQZPDGMEZ-RMKNXTFCSA-N -1 3 351.341 2.860 20 30 FFEDHM Cn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C2CCCCC2)n1 ZINC000826359396 609469995 /nfs/dbraw/zinc/46/99/95/609469995.db2.gz FRSBCRUTYLXNBZ-UHFFFAOYSA-N -1 3 364.457 2.772 20 30 FFEDHM Cn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C2CCCCC2)n1 ZINC000826359396 609469997 /nfs/dbraw/zinc/46/99/97/609469997.db2.gz FRSBCRUTYLXNBZ-UHFFFAOYSA-N -1 3 364.457 2.772 20 30 FFEDHM Cc1ccc(F)c2c1NC(=O)C2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826289824 609473744 /nfs/dbraw/zinc/47/37/44/609473744.db2.gz OOHHACOQTOMUGK-UHFFFAOYSA-N -1 3 371.763 2.736 20 30 FFEDHM Cc1ccc(F)c2c1NC(=O)C2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826289824 609473745 /nfs/dbraw/zinc/47/37/45/609473745.db2.gz OOHHACOQTOMUGK-UHFFFAOYSA-N -1 3 371.763 2.736 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1O[C@H](C)C#N ZINC000826170950 609512772 /nfs/dbraw/zinc/51/27/72/609512772.db2.gz WORLWWBFHDHLCL-GFCCVEGCSA-N -1 3 350.382 2.778 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1O[C@H](C)C#N ZINC000826170950 609512775 /nfs/dbraw/zinc/51/27/75/609512775.db2.gz WORLWWBFHDHLCL-GFCCVEGCSA-N -1 3 350.382 2.778 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](OC)c1ccccc1 ZINC000823915326 609540523 /nfs/dbraw/zinc/54/05/23/609540523.db2.gz UWGCXSAHOSIFAM-GOSISDBHSA-N -1 3 363.421 2.769 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](OC)c1ccccc1 ZINC000823915326 609540525 /nfs/dbraw/zinc/54/05/25/609540525.db2.gz UWGCXSAHOSIFAM-GOSISDBHSA-N -1 3 363.421 2.769 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000824777048 609600623 /nfs/dbraw/zinc/60/06/23/609600623.db2.gz HBYKMKVFESRZNV-KRWDZBQOSA-N -1 3 355.352 2.823 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000824777048 609600626 /nfs/dbraw/zinc/60/06/26/609600626.db2.gz HBYKMKVFESRZNV-KRWDZBQOSA-N -1 3 355.352 2.823 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1c(Cl)nc2sccn12 ZINC000743448432 735298134 /nfs/dbraw/zinc/29/81/34/735298134.db2.gz OTSLFWANGFLOGF-UHFFFAOYSA-N -1 3 368.871 2.545 20 30 FFEDHM COC(=O)C[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1cccc(Cl)c1 ZINC000743501900 735302099 /nfs/dbraw/zinc/30/20/99/735302099.db2.gz SUOMKTGUBIOTBD-BCUFPXHISA-N -1 3 362.813 2.965 20 30 FFEDHM C=CCOc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)c1 ZINC000084182745 728418382 /nfs/dbraw/zinc/41/83/82/728418382.db2.gz JTCHXNNIUPUZND-UHFFFAOYSA-N -1 3 364.398 2.551 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)ccc1F ZINC000150837406 728743579 /nfs/dbraw/zinc/74/35/79/728743579.db2.gz UAPATFYNSJWKSJ-KBPBESRZSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2O)ccc1F ZINC000179609378 729190157 /nfs/dbraw/zinc/19/01/57/729190157.db2.gz KXALJCCCHICJPG-UHFFFAOYSA-N -1 3 364.398 2.556 20 30 FFEDHM C=CCCO[N-]C(=O)CCC(=O)c1ccc(I)cc1 ZINC000856028089 730299727 /nfs/dbraw/zinc/29/97/27/730299727.db2.gz AQZIMZHRHFZRLR-UHFFFAOYSA-N -1 3 373.190 2.878 20 30 FFEDHM C#CCCCCCC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000779889006 738494016 /nfs/dbraw/zinc/49/40/16/738494016.db2.gz NNPSKFOGGHDNQQ-UHFFFAOYSA-N -1 3 352.456 2.979 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2sc3nccn3c2C)c1 ZINC000780305332 738531939 /nfs/dbraw/zinc/53/19/39/738531939.db2.gz HKJZBBBORDSIRE-ZDUSSCGKSA-N -1 3 354.391 2.674 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000657148565 731738981 /nfs/dbraw/zinc/73/89/81/731738981.db2.gz CMLZMFJQEXTOOC-UHFFFAOYSA-N -1 3 366.252 2.768 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000657150050 731739578 /nfs/dbraw/zinc/73/95/78/731739578.db2.gz QGWNXAYWBCRTIQ-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)c1cccc(C#N)c1 ZINC000872504961 731782279 /nfs/dbraw/zinc/78/22/79/731782279.db2.gz MRFAZNKSFHGUPC-QFIPXVFZSA-N -1 3 357.501 2.524 20 30 FFEDHM CCOc1c(Cl)cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1Cl ZINC000879224860 732667959 /nfs/dbraw/zinc/66/79/59/732667959.db2.gz UAASVVDTQSHHLT-LLVKDONJSA-N -1 3 362.213 2.894 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2nccs2)C1 ZINC000881695278 733088850 /nfs/dbraw/zinc/08/88/50/733088850.db2.gz GEEAEADBHGGCGG-CYBMUJFWSA-N -1 3 356.451 2.681 20 30 FFEDHM COc1cc(C=NNc2ccccc2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000731932659 734706933 /nfs/dbraw/zinc/70/69/33/734706933.db2.gz FEIYNPYWBUJSKN-UHFFFAOYSA-N -1 3 354.815 2.904 20 30 FFEDHM O=C1[C@@H](NCc2nc3ccc(Br)cc3s2)CCCN1[O-] ZINC000895158953 734969828 /nfs/dbraw/zinc/96/98/28/734969828.db2.gz AFUKBLBZZMRKPN-JTQLQIEISA-N -1 3 356.245 2.529 20 30 FFEDHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN[C@H]1CCCN([O-])C1=O ZINC000895166480 734970240 /nfs/dbraw/zinc/97/02/40/734970240.db2.gz RGAFSXBVCDHRIY-KRWDZBQOSA-N -1 3 362.861 2.671 20 30 FFEDHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895166988 734970341 /nfs/dbraw/zinc/97/03/41/734970341.db2.gz WJIXNJHYULCOJB-QGZVFWFLSA-N -1 3 362.861 2.671 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C/C=C/c2ccc(F)cc2)cc1 ZINC000747753837 735587808 /nfs/dbraw/zinc/58/78/08/735587808.db2.gz NYMNKXWZCVUFBI-ZMNMEELTSA-N -1 3 363.370 2.853 20 30 FFEDHM O=C(c1nc(N2CCCC2)ncc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901376095 735772096 /nfs/dbraw/zinc/77/20/96/735772096.db2.gz PFTHIVUBTOCJQA-UHFFFAOYSA-N -1 3 350.781 2.901 20 30 FFEDHM Cn1nc(C2CC2)nc1CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379103 735772495 /nfs/dbraw/zinc/77/24/95/735772495.db2.gz VRQHLEMXTWCUME-UHFFFAOYSA-N -1 3 355.225 2.960 20 30 FFEDHM C[C@]1(CS(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)CC1(Cl)Cl ZINC000903115483 736033706 /nfs/dbraw/zinc/03/37/06/736033706.db2.gz BTYAPMCLRCKNSI-CABCVRRESA-N -1 3 373.305 2.941 20 30 FFEDHM C#CC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000753889072 736103653 /nfs/dbraw/zinc/10/36/53/736103653.db2.gz JHMAIYIRJORDQW-UHFFFAOYSA-N -1 3 364.810 2.721 20 30 FFEDHM O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)N([O-])Cc1ccccc1Cl ZINC000904192251 736232272 /nfs/dbraw/zinc/23/22/72/736232272.db2.gz FQYLBGRJRFNNGY-UKRRQHHQSA-N -1 3 355.818 2.759 20 30 FFEDHM O=S(=O)(NN=Cc1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC000755491953 736257029 /nfs/dbraw/zinc/25/70/29/736257029.db2.gz ULWQPSUADZKVRT-UHFFFAOYSA-N -1 3 373.203 2.606 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1c(C2CC2)nc2sccn12 ZINC000755662476 736269314 /nfs/dbraw/zinc/26/93/14/736269314.db2.gz PUEWSIGQACRUMN-UHFFFAOYSA-N -1 3 360.464 2.727 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cccc3[nH]ccc32)cc1 ZINC000755674759 736270118 /nfs/dbraw/zinc/27/01/18/736270118.db2.gz SMEJTACWERINAN-UHFFFAOYSA-N -1 3 358.379 2.530 20 30 FFEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccccc1 ZINC000756975900 736379717 /nfs/dbraw/zinc/37/97/17/736379717.db2.gz PTMCGNNNYGWYTQ-INIZCTEOSA-N -1 3 361.394 2.655 20 30 FFEDHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000908402223 736771064 /nfs/dbraw/zinc/77/10/64/736771064.db2.gz BTAXYFHORRAFPG-CYBMUJFWSA-N -1 3 363.414 2.676 20 30 FFEDHM C#CCCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000765418716 737117007 /nfs/dbraw/zinc/11/70/07/737117007.db2.gz KFVQCSSBCHGDJH-UHFFFAOYSA-N -1 3 362.234 2.614 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(C(C)(C)O)cc1 ZINC000767380135 737319712 /nfs/dbraw/zinc/31/97/12/737319712.db2.gz PLXUILVIYCHDNR-UHFFFAOYSA-N -1 3 360.479 2.800 20 30 FFEDHM CSCCNC(=S)NN=C(C)c1ccc(Br)cc1[O-] ZINC000769599476 737544868 /nfs/dbraw/zinc/54/48/68/737544868.db2.gz WYDZIIHDSULXSX-UHFFFAOYSA-N -1 3 362.318 2.706 20 30 FFEDHM CC(N=Nc1ncnc2c1c(Br)nn2C)c1sccc1[O-] ZINC000769780839 737565265 /nfs/dbraw/zinc/56/52/65/737565265.db2.gz AVQNTYHWBDZZJT-UHFFFAOYSA-N -1 3 367.232 2.729 20 30 FFEDHM CCOc1cc(C=NNC(=S)NC2CC2)cc(Br)c1[O-] ZINC000916282500 737693067 /nfs/dbraw/zinc/69/30/67/737693067.db2.gz TVASQYWWDAXRNM-UHFFFAOYSA-N -1 3 358.261 2.514 20 30 FFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000772690330 737833959 /nfs/dbraw/zinc/83/39/59/737833959.db2.gz STBFIOICFZSLND-UHFFFAOYSA-N -1 3 354.255 2.786 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1csc(-c2ccccn2)n1 ZINC000920384246 737904326 /nfs/dbraw/zinc/90/43/26/737904326.db2.gz XNVXCLCDMIZVLS-UHFFFAOYSA-N -1 3 358.448 2.659 20 30 FFEDHM CCc1onc(C)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000922030740 738082156 /nfs/dbraw/zinc/08/21/56/738082156.db2.gz BROYMNQULNSMFD-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccccc1Cl ZINC000776276344 738177130 /nfs/dbraw/zinc/17/71/30/738177130.db2.gz ZCIWQDMKVJFSFI-NSHDSACASA-N -1 3 358.781 2.779 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc3ccccc3[nH]2)cc1 ZINC000788424092 739243713 /nfs/dbraw/zinc/24/37/13/739243713.db2.gz AEHKQENYUVDTOU-UHFFFAOYSA-N -1 3 358.379 2.530 20 30 FFEDHM COc1ccc(C=NN[C@@H](CO)c2ccccc2)c(Br)c1[O-] ZINC000788470806 739248031 /nfs/dbraw/zinc/24/80/31/739248031.db2.gz ZOSCICSZOIHCGT-ZDUSSCGKSA-N -1 3 365.227 2.820 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1 ZINC000795568746 740038821 /nfs/dbraw/zinc/03/88/21/740038821.db2.gz QPQDWNPHUIZAAJ-MRXNPFEDSA-N -1 3 356.419 2.609 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000795977454 740086396 /nfs/dbraw/zinc/08/63/96/740086396.db2.gz SPHUEIVJAGHMEW-UHFFFAOYSA-N -1 3 368.430 2.611 20 30 FFEDHM C#Cc1cccc(NC(=S)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000798374020 740326099 /nfs/dbraw/zinc/32/60/99/740326099.db2.gz ZURXMEARECYERJ-UHFFFAOYSA-N -1 3 369.412 2.755 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2cccc(Br)c2)c1[O-] ZINC000800720826 740544227 /nfs/dbraw/zinc/54/42/27/740544227.db2.gz HPMRJGLOUKRTCN-CRIIERLBSA-N -1 3 365.227 2.503 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc2nccn12 ZINC000811069660 741478245 /nfs/dbraw/zinc/47/82/45/741478245.db2.gz ZRZFJKZOUJAKRL-UHFFFAOYSA-N -1 3 356.407 2.661 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Cc2ccc(Br)cc2)c1 ZINC000811188644 741491871 /nfs/dbraw/zinc/49/18/71/741491871.db2.gz RPUPLKABPKDIQC-UHFFFAOYSA-N -1 3 374.190 2.995 20 30 FFEDHM O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000816760396 742059329 /nfs/dbraw/zinc/05/93/29/742059329.db2.gz PNVWSHUSCWPTKX-KGTBHZDVSA-N -1 3 362.735 2.782 20 30 FFEDHM COc1ccc(-c2cc(C(=O)N[C@H]3CCCN([O-])C3=O)sc2C)cc1 ZINC000816758796 742059581 /nfs/dbraw/zinc/05/95/81/742059581.db2.gz XWWPTGBSRWDKCM-HNNXBMFYSA-N -1 3 360.435 2.842 20 30 FFEDHM C#Cc1cccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000823861385 742991684 /nfs/dbraw/zinc/99/16/84/742991684.db2.gz GFMBGVNRNIERBS-UHFFFAOYSA-N -1 3 369.841 2.815 20 30 FFEDHM C#Cc1cccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000823861385 742991688 /nfs/dbraw/zinc/99/16/88/742991688.db2.gz GFMBGVNRNIERBS-UHFFFAOYSA-N -1 3 369.841 2.815 20 30 FFEDHM C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001041757075 743056801 /nfs/dbraw/zinc/05/68/01/743056801.db2.gz SVJPBQSOQYMBOO-IAQYHMDHSA-N -1 3 356.813 2.567 20 30 FFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826355774 743382131 /nfs/dbraw/zinc/38/21/31/743382131.db2.gz MYMPNWMJGFTFDO-PLNGDYQASA-N -1 3 367.171 2.942 20 30 FFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826355774 743382139 /nfs/dbraw/zinc/38/21/39/743382139.db2.gz MYMPNWMJGFTFDO-PLNGDYQASA-N -1 3 367.171 2.942 20 30 FFEDHM CC(C)[C@H](CO)ON=C([O-])Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000836230290 746170213 /nfs/dbraw/zinc/17/02/13/746170213.db2.gz MTXHTENWJUKCOV-HNNXBMFYSA-N -1 3 360.439 2.676 20 30 FFEDHM CC(C)[C@H](CO)O[N-]C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000836230290 746170217 /nfs/dbraw/zinc/17/02/17/746170217.db2.gz MTXHTENWJUKCOV-HNNXBMFYSA-N -1 3 360.439 2.676 20 30 FFEDHM C=CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CCCCC1 ZINC000836956498 746337699 /nfs/dbraw/zinc/33/76/99/746337699.db2.gz HSQLZJMJOFIDTH-UHFFFAOYSA-N -1 3 354.447 2.743 20 30 FFEDHM C=C(C)CO[N-]C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000846538111 748498393 /nfs/dbraw/zinc/49/83/93/748498393.db2.gz FJEWMTGDAYIVQI-HXUWFJFHSA-N -1 3 360.273 2.961 20 30 FFEDHM Cc1cc(Br)cc2c(C(=O)N[C@@H]3CCCN([O-])C3=O)coc21 ZINC000848134094 748851377 /nfs/dbraw/zinc/85/13/77/748851377.db2.gz NJYVGFOOJILEOU-GFCCVEGCSA-N -1 3 367.199 2.614 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCC#N)c1)C1CCCCC1 ZINC000849304372 749094913 /nfs/dbraw/zinc/09/49/13/749094913.db2.gz QYIPSGNSMNHCAF-KRWDZBQOSA-N -1 3 352.456 2.926 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(C2CC2)c1 ZINC000823914766 946517657 /nfs/dbraw/zinc/51/76/57/946517657.db2.gz NAHDBMKDURHBFS-UHFFFAOYSA-N -1 3 360.421 2.968 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(C2CC2)c1 ZINC000823914766 946517679 /nfs/dbraw/zinc/51/76/79/946517679.db2.gz NAHDBMKDURHBFS-UHFFFAOYSA-N -1 3 360.421 2.968 20 30 FFEDHM C#C[C@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)[C@@H]1CCCO1 ZINC001573279919 946650148 /nfs/dbraw/zinc/65/01/48/946650148.db2.gz LTVQTWSPKLKANG-BBRMVZONSA-N -1 3 373.420 2.569 20 30 FFEDHM C#C[C@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)[C@@H]1CCCO1 ZINC001573279919 946650160 /nfs/dbraw/zinc/65/01/60/946650160.db2.gz LTVQTWSPKLKANG-BBRMVZONSA-N -1 3 373.420 2.569 20 30 FFEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)C(C)C)c1 ZINC001573289787 946893197 /nfs/dbraw/zinc/89/31/97/946893197.db2.gz CWCVSULDBVQFNQ-UHFFFAOYSA-N -1 3 361.405 2.912 20 30 FFEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)C(C)C)c1 ZINC001573289787 946893214 /nfs/dbraw/zinc/89/32/14/946893214.db2.gz CWCVSULDBVQFNQ-UHFFFAOYSA-N -1 3 361.405 2.912 20 30 FFEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)C(C)C)c1 ZINC001573290201 946896979 /nfs/dbraw/zinc/89/69/79/946896979.db2.gz GQGQUMCXBUTIFX-UHFFFAOYSA-N -1 3 366.812 2.952 20 30 FFEDHM C#Cc1cccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC001573291237 946917192 /nfs/dbraw/zinc/91/71/92/946917192.db2.gz ZCELOMFFUAVUFV-UHFFFAOYSA-N -1 3 374.448 2.968 20 30 FFEDHM C#Cc1cccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC001573291237 946917200 /nfs/dbraw/zinc/91/72/00/946917200.db2.gz ZCELOMFFUAVUFV-UHFFFAOYSA-N -1 3 374.448 2.968 20 30 FFEDHM C=C(CC)C(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001573294427 946988348 /nfs/dbraw/zinc/98/83/48/946988348.db2.gz FOCFZSXEWPSHMI-UHFFFAOYSA-N -1 3 373.467 2.915 20 30 FFEDHM C=C(CC)C(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001573294427 946988354 /nfs/dbraw/zinc/98/83/54/946988354.db2.gz FOCFZSXEWPSHMI-UHFFFAOYSA-N -1 3 373.467 2.915 20 30 FFEDHM CC[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825038778 947053557 /nfs/dbraw/zinc/05/35/57/947053557.db2.gz ICURZMKMHUIFTI-INIZCTEOSA-N -1 3 362.393 2.879 20 30 FFEDHM CC[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825038778 947053565 /nfs/dbraw/zinc/05/35/65/947053565.db2.gz ICURZMKMHUIFTI-INIZCTEOSA-N -1 3 362.393 2.879 20 30 FFEDHM C=CC(C)(C)C(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573305503 947155068 /nfs/dbraw/zinc/15/50/68/947155068.db2.gz RBJSGJZIDLSALR-ZDUSSCGKSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC(C)(C)C(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573305503 947155076 /nfs/dbraw/zinc/15/50/76/947155076.db2.gz RBJSGJZIDLSALR-ZDUSSCGKSA-N -1 3 372.448 2.551 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573306427 947171634 /nfs/dbraw/zinc/17/16/34/947171634.db2.gz KMYRNJPTNNADQB-AUUYWEPGSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573306427 947171643 /nfs/dbraw/zinc/17/16/43/947171643.db2.gz KMYRNJPTNNADQB-AUUYWEPGSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573314522 947230969 /nfs/dbraw/zinc/23/09/69/947230969.db2.gz CQANWGJPSTYPPU-CJNGLKHVSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573314522 947230974 /nfs/dbraw/zinc/23/09/74/947230974.db2.gz CQANWGJPSTYPPU-CJNGLKHVSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(C)(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573320454 947347871 /nfs/dbraw/zinc/34/78/71/947347871.db2.gz XZYZCCLIBNOEQA-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(C)(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573320454 947347885 /nfs/dbraw/zinc/34/78/85/947347885.db2.gz XZYZCCLIBNOEQA-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC1(C(=O)NCCCNc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573325442 947355379 /nfs/dbraw/zinc/35/53/79/947355379.db2.gz BWIDUUMXKILFAP-UHFFFAOYSA-N -1 3 369.473 2.707 20 30 FFEDHM C=CCC1(C(=O)NCCCNc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573325442 947355391 /nfs/dbraw/zinc/35/53/91/947355391.db2.gz BWIDUUMXKILFAP-UHFFFAOYSA-N -1 3 369.473 2.707 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1 ZINC001573335718 947487643 /nfs/dbraw/zinc/48/76/43/947487643.db2.gz CONHNQIDSLPVCG-VIFPVBQESA-N -1 3 371.319 2.685 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000127042862 971918212 /nfs/dbraw/zinc/91/82/12/971918212.db2.gz QHZIOQWRQOVSDP-HNNXBMFYSA-N -1 3 353.334 2.873 20 30 FFEDHM N#Cc1ccc(Br)c(CN(CCC(=O)[O-])C2CCOCC2)c1 ZINC001594617552 956250475 /nfs/dbraw/zinc/25/04/75/956250475.db2.gz OWGLOEGAIYPEBC-UHFFFAOYSA-N -1 3 367.243 2.776 20 30 FFEDHM Cc1ccc(C)c(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000007673993 1013197123 /nfs/dbraw/zinc/19/71/23/1013197123.db2.gz LRQLDEWVLGNXEV-UHFFFAOYSA-N -1 3 366.417 2.839 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc2c(cn1)OCC2(C)C ZINC001174931439 1013337951 /nfs/dbraw/zinc/33/79/51/1013337951.db2.gz ZTAXDTQZBKOSBS-UHFFFAOYSA-N -1 3 357.391 2.724 20 30 FFEDHM C=CCOc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000255355833 964173342 /nfs/dbraw/zinc/17/33/42/964173342.db2.gz IECJVGYNWRJZST-PKYBCLHXSA-N -1 3 365.389 2.598 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cn(C)nc2Br)CCCCC1 ZINC001211861332 967233384 /nfs/dbraw/zinc/23/33/84/967233384.db2.gz HEYDWZNSBAJCHB-UHFFFAOYSA-N -1 3 362.293 2.740 20 30 FFEDHM C=CCN1CC[C@]2(CCCN2C(=O)c2ccc([O-])c3ccccc23)C1=O ZINC001271969672 979373586 /nfs/dbraw/zinc/37/35/86/979373586.db2.gz BHZDODCQKBGEHW-OAQYLSRUSA-N -1 3 350.418 2.939 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000985751581 979410956 /nfs/dbraw/zinc/41/09/56/979410956.db2.gz WAPSHCXRJLGYPT-VWKPWSFCSA-N -1 3 356.466 2.915 20 30 FFEDHM CC[C@H](NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001595232922 980128384 /nfs/dbraw/zinc/12/83/84/980128384.db2.gz NFNAKNJNTRJCHL-TWMKSMIVSA-N -1 3 356.422 2.854 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000760254210 980895398 /nfs/dbraw/zinc/89/53/98/980895398.db2.gz SQBPTGUBHYKKLR-UHFFFAOYSA-N -1 3 368.462 2.775 20 30 FFEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000908638582 981483568 /nfs/dbraw/zinc/48/35/68/981483568.db2.gz PEUNYCPHDUILHL-KRWDZBQOSA-N -1 3 355.438 2.735 20 30 FFEDHM C=CCCC[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847903 981553575 /nfs/dbraw/zinc/55/35/75/981553575.db2.gz VTGLYOYYGYVUKM-ZWKOTPCHSA-N -1 3 359.470 2.760 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC000908900927 981569420 /nfs/dbraw/zinc/56/94/20/981569420.db2.gz NXGKLWGOPZLKCU-ZWKOTPCHSA-N -1 3 359.470 2.851 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCCO3)cc1 ZINC000763932563 983948497 /nfs/dbraw/zinc/94/84/97/983948497.db2.gz SONAXJKLADIFBO-INIZCTEOSA-N -1 3 366.421 2.969 20 30 FFEDHM O=C(Nc1cccc(CSc2ccccn2)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878534690 1015089610 /nfs/dbraw/zinc/08/96/10/1015089610.db2.gz RIDTYJKKVZGFIJ-OAHLLOKOSA-N -1 3 372.450 2.876 20 30 FFEDHM N#CC(=C([O-])c1ccc(-c2ccccn2)nc1)c1nnc2n1CCCCC2 ZINC000651269072 1015094737 /nfs/dbraw/zinc/09/47/37/1015094737.db2.gz XBYNXGPOPKKRFA-HNNXBMFYSA-N -1 3 358.405 2.952 20 30 FFEDHM O=C(Nc1ccc(COc2ccccc2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000879102843 1015363886 /nfs/dbraw/zinc/36/38/86/1015363886.db2.gz FWNWHZIBVULFCN-QGZVFWFLSA-N -1 3 355.394 2.767 20 30 FFEDHM COc1ccc(C[C@@H](C)C/N=C\c2c([O-])c(C)ncc2CO)cc1OC ZINC000762436681 988366884 /nfs/dbraw/zinc/36/68/84/988366884.db2.gz OZJBQMZWBBKUER-PJICWNCHSA-N -1 3 358.438 2.903 20 30 FFEDHM COc1cc(C=NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000916327042 989775134 /nfs/dbraw/zinc/77/51/34/989775134.db2.gz DTVKCDGMDWTNLX-GOSISDBHSA-N -1 3 373.796 2.855 20 30 FFEDHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)n[n-]c21 ZINC000808675901 994219293 /nfs/dbraw/zinc/21/92/93/994219293.db2.gz XCLNQGQTCIEVQF-NSHDSACASA-N -1 3 364.361 2.627 20 30 FFEDHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000808675901 994219304 /nfs/dbraw/zinc/21/93/04/994219304.db2.gz XCLNQGQTCIEVQF-NSHDSACASA-N -1 3 364.361 2.627 20 30 FFEDHM Cc1ccc(SCCNC(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811184226 995050520 /nfs/dbraw/zinc/05/05/20/995050520.db2.gz JMPUCARWMWOZPD-UHFFFAOYSA-N -1 3 370.430 2.638 20 30 FFEDHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184882 995051065 /nfs/dbraw/zinc/05/10/65/995051065.db2.gz UXYVMBYEHNUWPD-LLVKDONJSA-N -1 3 374.343 2.918 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCSc2ccccc21 ZINC000811188098 995052281 /nfs/dbraw/zinc/05/22/81/995052281.db2.gz VISSWADNTQXTGI-LBPRGKRZSA-N -1 3 368.414 2.948 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001084634905 996747896 /nfs/dbraw/zinc/74/78/96/996747896.db2.gz JAGFJTTUYYSHTB-QLVMHMETSA-N -1 3 370.497 2.695 20 30 FFEDHM COc1ccc([C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C(=O)[O-])cc1O ZINC001599532549 997682967 /nfs/dbraw/zinc/68/29/67/997682967.db2.gz RIXCRXCYCKOCTJ-SGTLLEGYSA-N -1 3 356.378 2.607 20 30 FFEDHM C[S@@](=O)c1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845841584 998671568 /nfs/dbraw/zinc/67/15/68/998671568.db2.gz BLGYQTXKTVQAHC-WXTAPIANSA-N -1 3 365.454 2.976 20 30 FFEDHM C[S@](=O)c1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845841583 998671651 /nfs/dbraw/zinc/67/16/51/998671651.db2.gz BLGYQTXKTVQAHC-QYBDOPJKSA-N -1 3 365.454 2.976 20 30 FFEDHM C[S@@](=O)c1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845841582 998671952 /nfs/dbraw/zinc/67/19/52/998671952.db2.gz BLGYQTXKTVQAHC-HFJWLAOPSA-N -1 3 365.454 2.976 20 30 FFEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)n1nnnc1C(C)(C)C ZINC000845847275 998679462 /nfs/dbraw/zinc/67/94/62/998679462.db2.gz ZUINOAQUVBBPAT-HIFRSBDPSA-N -1 3 365.437 2.541 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000733081248 998866345 /nfs/dbraw/zinc/86/63/45/998866345.db2.gz SETSDUSHHJIVKT-IZBZYRJBSA-N -1 3 363.458 2.796 20 30 FFEDHM COc1c(C)cnc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000736767106 999567723 /nfs/dbraw/zinc/56/77/23/999567723.db2.gz VRRYOGFBSFXFLK-UHFFFAOYSA-N -1 3 369.421 2.972 20 30 FFEDHM CCc1ccc(-c2nn(-c3ccccc3)cc2C=NN2CC(=O)[N-]C2=O)cc1 ZINC000744810076 999874620 /nfs/dbraw/zinc/87/46/20/999874620.db2.gz ISOLBZYHMPLEIX-UHFFFAOYSA-N -1 3 373.416 2.987 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc3ncccc3c2)cc1 ZINC000746492490 1000181499 /nfs/dbraw/zinc/18/14/99/1000181499.db2.gz XJJQQSSOVNFXHZ-UHFFFAOYSA-N -1 3 370.390 2.597 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144632989 1000186364 /nfs/dbraw/zinc/18/63/64/1000186364.db2.gz ZMCDYOZDSGRYBL-KRWDZBQOSA-N -1 3 357.381 2.531 20 30 FFEDHM CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1cc(F)ccc1[O-] ZINC000769807578 1000608145 /nfs/dbraw/zinc/60/81/45/1000608145.db2.gz OWYBFKFJLTWBFS-UHFFFAOYSA-N -1 3 358.377 2.968 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1 ZINC000770102495 1000677081 /nfs/dbraw/zinc/67/70/81/1000677081.db2.gz SRJPIPJAVQKGPT-HNNXBMFYSA-N -1 3 353.378 2.839 20 30 FFEDHM C#CCN1CC[C@]2(CCCN2Cc2c(Cl)cc([O-])cc2Cl)C1=O ZINC001276164563 1016436399 /nfs/dbraw/zinc/43/63/99/1016436399.db2.gz DLIQTPQPFUZJBC-QGZVFWFLSA-N -1 3 353.249 2.899 20 30 FFEDHM CN(C(=O)OC(C)(C)C)c1cc(C(=O)Nc2ccc([O-])c(C#N)c2)n(C)n1 ZINC001148086915 1001037870 /nfs/dbraw/zinc/03/78/70/1001037870.db2.gz AQMIMLSRJXDJBU-UHFFFAOYSA-N -1 3 371.397 2.621 20 30 FFEDHM CCOC(=O)c1sc2nc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)cc(C)c2c1C ZINC001171362843 1001718516 /nfs/dbraw/zinc/71/85/16/1001718516.db2.gz MSXNTDMHNHAXDH-ZANVPECISA-N -1 3 363.439 2.738 20 30 FFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1cccc(C(F)(F)F)n1 ZINC000774387827 1001905252 /nfs/dbraw/zinc/90/52/52/1001905252.db2.gz XFAWMXXCHHUBEB-UHFFFAOYSA-N -1 3 369.234 2.916 20 30 FFEDHM Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001183890272 1002422679 /nfs/dbraw/zinc/42/26/79/1002422679.db2.gz ZAAPXAYWEZCNNW-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001183890272 1002422686 /nfs/dbraw/zinc/42/26/86/1002422686.db2.gz ZAAPXAYWEZCNNW-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM Cc1cnn(-c2c(C(=O)N([O-])Cc3ccccc3Cl)c(C)nn2C)c1 ZINC001184283082 1002561890 /nfs/dbraw/zinc/56/18/90/1002561890.db2.gz CCMUYJNKLKXBMM-UHFFFAOYSA-N -1 3 359.817 2.908 20 30 FFEDHM Cc1cc(C)cc(CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)c1 ZINC001184283250 1002562066 /nfs/dbraw/zinc/56/20/66/1002562066.db2.gz FAEWMCXLRBYAAK-UHFFFAOYSA-N -1 3 366.417 2.750 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)ccc1C#N ZINC001185137872 1002814712 /nfs/dbraw/zinc/81/47/12/1002814712.db2.gz OLNRQTPZVMFFDC-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C)n2)cc1OC ZINC000747109340 1003314512 /nfs/dbraw/zinc/31/45/12/1003314512.db2.gz PCTWLQRFSSOYBM-ZDUSSCGKSA-N -1 3 370.409 2.522 20 30 FFEDHM COc1cc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)ccc1C#N ZINC000793264176 1003323543 /nfs/dbraw/zinc/32/35/43/1003323543.db2.gz ATGPSLRDMMABRQ-UHFFFAOYSA-N -1 3 360.316 2.667 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001187030944 1003515880 /nfs/dbraw/zinc/51/58/80/1003515880.db2.gz GPYNIPNBKKFARI-OAHLLOKOSA-N -1 3 355.394 2.684 20 30 FFEDHM COc1cccc(CS(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)c1 ZINC001197389909 1004188864 /nfs/dbraw/zinc/18/88/64/1004188864.db2.gz OWUYRNDDXAUWHY-UHFFFAOYSA-N -1 3 356.325 2.926 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)C(=O)OC ZINC001197556632 1004271551 /nfs/dbraw/zinc/27/15/51/1004271551.db2.gz QNKFVSLHXXWXPL-CQSZACIVSA-N -1 3 366.266 2.921 20 30 FFEDHM COc1cc(C(=O)[N-]c2onc(C)c2C#N)c(NC(=O)OC(C)(C)C)cn1 ZINC001192947004 1004324137 /nfs/dbraw/zinc/32/41/37/1004324137.db2.gz UWEMVICEDDUPAL-UHFFFAOYSA-N -1 3 373.369 2.858 20 30 FFEDHM C=CCCCCCCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000807571922 1004629201 /nfs/dbraw/zinc/62/92/01/1004629201.db2.gz UZJXNWVSZANWJC-UHFFFAOYSA-N -1 3 359.470 2.996 20 30 FFEDHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C12CCC(C#N)(CC1)CC2 ZINC001198723695 1004712010 /nfs/dbraw/zinc/71/20/10/1004712010.db2.gz YGZCUYGEAHZITH-UHFFFAOYSA-N -1 3 355.847 2.638 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCOCC1 ZINC001195937615 1005068387 /nfs/dbraw/zinc/06/83/87/1005068387.db2.gz NSCPYSJXANRRMX-UHFFFAOYSA-N -1 3 371.871 2.548 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nnc2ccccc2c1[O-] ZINC000111585029 1006532218 /nfs/dbraw/zinc/53/22/18/1006532218.db2.gz OFOCJQQWVATSLW-UHFFFAOYSA-N -1 3 364.361 2.660 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nc1 ZINC000815908255 1006820428 /nfs/dbraw/zinc/82/04/28/1006820428.db2.gz WYOVLJUIROTIFY-OAHLLOKOSA-N -1 3 351.362 2.528 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000855170182 1007152003 /nfs/dbraw/zinc/15/20/03/1007152003.db2.gz MACXELPAFFMZRZ-WFASDCNBSA-N -1 3 354.447 2.599 20 30 FFEDHM COc1ccc2c(c1)oc(C(=O)N[C@H]1CCN([O-])C1=O)c2-c1ccccc1 ZINC000816691367 1007169100 /nfs/dbraw/zinc/16/91/00/1007169100.db2.gz PUJOHKPYMKZQEO-HNNXBMFYSA-N -1 3 366.373 2.828 20 30 FFEDHM COc1cncc(NC(=O)OC(C)(C)C)c1C(=O)[N-]c1oc(C)nc1C#N ZINC001190072792 1007456928 /nfs/dbraw/zinc/45/69/28/1007456928.db2.gz FHHDAQPSVNFMRB-UHFFFAOYSA-N -1 3 373.369 2.858 20 30 FFEDHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CCC#N)cc1)c1ccccc1 ZINC000885038653 1007629341 /nfs/dbraw/zinc/62/93/41/1007629341.db2.gz NPNMSDOZMCHSHV-GOSISDBHSA-N -1 3 372.446 2.725 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1 ZINC000885452296 1007715876 /nfs/dbraw/zinc/71/58/76/1007715876.db2.gz PTJLCBXSFDYWAH-DNVCBOLYSA-N -1 3 357.454 2.530 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2COc3cc(Cl)ccc32)c1 ZINC001190676562 1007745081 /nfs/dbraw/zinc/74/50/81/1007745081.db2.gz HDUFCZPMXSILKR-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(OC3CCC3)ccn2)c1 ZINC001190677165 1007746140 /nfs/dbraw/zinc/74/61/40/1007746140.db2.gz KFIVUMCDDRHESB-UHFFFAOYSA-N -1 3 361.398 2.502 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cnccn2)CC1 ZINC001190814927 1007815092 /nfs/dbraw/zinc/81/50/92/1007815092.db2.gz SWLWJLALTGASAH-UHFFFAOYSA-N -1 3 358.423 2.579 20 30 FFEDHM CC(C)n1cncc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000819805211 1008236640 /nfs/dbraw/zinc/23/66/40/1008236640.db2.gz PVWNFSHVMYAHAM-HNNXBMFYSA-N -1 3 370.438 2.739 20 30 FFEDHM O=C(Cc1cccc(OCc2ccccc2Cl)c1)N[C@H]1CCN([O-])C1=O ZINC000820156365 1008294890 /nfs/dbraw/zinc/29/48/90/1008294890.db2.gz GZHHQZMZMRXPTA-KRWDZBQOSA-N -1 3 374.824 2.568 20 30 FFEDHM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)N[C@H]1CCN([O-])C1=O ZINC000820156821 1008295021 /nfs/dbraw/zinc/29/50/21/1008295021.db2.gz OHOJVESJGUCFPI-KRWDZBQOSA-N -1 3 374.824 2.568 20 30 FFEDHM COc1ccccc1/C=C(\C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000820471014 1008338799 /nfs/dbraw/zinc/33/87/99/1008338799.db2.gz KZKWWDPPVRHZEG-HGLWPWQMSA-N -1 3 366.417 2.732 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000820476890 1008339214 /nfs/dbraw/zinc/33/92/14/1008339214.db2.gz RDNXNQBEBVXAJL-SJORKVTESA-N -1 3 374.824 2.957 20 30 FFEDHM C#CC[C@H]1CCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000886360268 1008649183 /nfs/dbraw/zinc/64/91/83/1008649183.db2.gz SNGLEDHUOOYVNF-OLZOCXBDSA-N -1 3 373.478 2.876 20 30 FFEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC001181203107 1010014948 /nfs/dbraw/zinc/01/49/48/1010014948.db2.gz CNEMKUFRFHUJOH-UHFFFAOYSA-N -1 3 372.352 2.986 20 30 FFEDHM N#Cc1ccc2c(c1)CCCC[C@H]2NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866630018 1011027269 /nfs/dbraw/zinc/02/72/69/1011027269.db2.gz UOWTWEZHFMKUEN-QGZVFWFLSA-N -1 3 350.422 2.684 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000777345707 1011214215 /nfs/dbraw/zinc/21/42/15/1011214215.db2.gz HUEDLWFTJKOIOQ-UHFFFAOYSA-N -1 3 370.430 2.970 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC000928090908 1018791263 /nfs/dbraw/zinc/79/12/63/1018791263.db2.gz VIUQCEASMGXYQP-APWZRJJASA-N -1 3 369.396 2.796 20 30 FFEDHM COc1ccccc1N1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CC1=O ZINC000901376913 1019019010 /nfs/dbraw/zinc/01/90/10/1019019010.db2.gz ZZEMMGQNOSHOFF-CQSZACIVSA-N -1 3 358.369 2.605 20 30 FFEDHM Cc1cc(C#N)nc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2ccccc2[O-])n1 ZINC001048024591 1019786256 /nfs/dbraw/zinc/78/62/56/1019786256.db2.gz WVJDGVUTPWDKAY-CJNGLKHVSA-N -1 3 365.437 2.715 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001122395293 1023240686 /nfs/dbraw/zinc/24/06/86/1023240686.db2.gz LUFFZMFRBBITOZ-HNNXBMFYSA-N -1 3 374.514 2.903 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCc2ccccc2CC1 ZINC001122496212 1023304386 /nfs/dbraw/zinc/30/43/86/1023304386.db2.gz QEVDHZKMOXKFHN-UHFFFAOYSA-N -1 3 351.410 2.820 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001122567316 1023343458 /nfs/dbraw/zinc/34/34/58/1023343458.db2.gz OVTXSQKRXYSQMW-CYBMUJFWSA-N -1 3 352.398 2.604 20 30 FFEDHM C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc([O-])c(F)c2)C1=O ZINC000755608065 1023614223 /nfs/dbraw/zinc/61/42/23/1023614223.db2.gz ICHZLJFPXSNHSR-IBGZPJMESA-N -1 3 355.369 2.809 20 30 FFEDHM C=C[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001123789015 1024027311 /nfs/dbraw/zinc/02/73/11/1024027311.db2.gz XJYKTKOAAWTKEF-HIFRSBDPSA-N -1 3 354.372 2.873 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC001121810529 1024053109 /nfs/dbraw/zinc/05/31/09/1024053109.db2.gz KPEVZCPZNUCPEH-MOPGFXCFSA-N -1 3 371.481 2.537 20 30 FFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759343800 1024569861 /nfs/dbraw/zinc/56/98/61/1024569861.db2.gz GPJRAEABDXHVCZ-CYBMUJFWSA-N -1 3 374.418 2.554 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(F)ccc1C#N ZINC000759352046 1024575632 /nfs/dbraw/zinc/57/56/32/1024575632.db2.gz RVGPVBYLAOFLII-UHFFFAOYSA-N -1 3 353.353 2.963 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC001160176647 1027623761 /nfs/dbraw/zinc/62/37/61/1027623761.db2.gz YTFSCJFDKXVJCO-BONVTDFDSA-N -1 3 360.801 2.635 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2ccc(C3OCCCO3)cc2)cn1 ZINC001160176123 1027623793 /nfs/dbraw/zinc/62/37/93/1027623793.db2.gz GWCOBPJSLJEPDP-UGSOOPFHSA-N -1 3 369.421 2.832 20 30 FFEDHM CCOC(=O)c1c(Cl)c2ccccc2nc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160176449 1027624074 /nfs/dbraw/zinc/62/40/74/1027624074.db2.gz RYVOPUYWKUWWMK-XPTSAGLGSA-N -1 3 363.801 2.713 20 30 FFEDHM O=C(CCNC(=O)c1cc2ccccc2[nH]1)N([O-])Cc1ccc(F)cc1 ZINC001161850379 1028332282 /nfs/dbraw/zinc/33/22/82/1028332282.db2.gz ZFOSJUCZSIWKBW-UHFFFAOYSA-N -1 3 355.369 2.845 20 30 FFEDHM Cc1noc2ccc(CNC(=O)c3cc(=O)c4cc(C#N)ccc4[n-]3)cc12 ZINC001154561165 1028357612 /nfs/dbraw/zinc/35/76/12/1028357612.db2.gz WKRIIPIHVAWEDY-UHFFFAOYSA-N -1 3 358.357 2.779 20 30 FFEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnc2c(c1)NC(=O)CS2 ZINC001154629492 1028384217 /nfs/dbraw/zinc/38/42/17/1028384217.db2.gz PNJBCRWSBHCNFC-UHFFFAOYSA-N -1 3 350.359 2.996 20 30 FFEDHM Cc1ncc(Nc2cnc(Cl)nc2Oc2ccc(C#N)cc2)c(=O)[n-]1 ZINC001162306328 1028498686 /nfs/dbraw/zinc/49/86/86/1028498686.db2.gz XCMUXVOPGCZHAW-LBPRGKRZSA-N -1 3 354.757 2.604 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cnc2cc(Br)ccn12 ZINC001155357211 1028693473 /nfs/dbraw/zinc/69/34/73/1028693473.db2.gz GMQZLIYPNNCNBP-UHFFFAOYSA-N -1 3 374.198 2.536 20 30 FFEDHM O=C1COc2ccc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)nc2N1 ZINC001155913923 1028973685 /nfs/dbraw/zinc/97/36/85/1028973685.db2.gz CFBMSXPFIXOVBM-UHFFFAOYSA-N -1 3 368.271 2.559 20 30 FFEDHM N#CCc1ccc(OCc2ccc(NCCCc3c[n-][nH]c3=O)nc2)cc1 ZINC001156284090 1029126795 /nfs/dbraw/zinc/12/67/95/1029126795.db2.gz CZOMPTHGRJGOKA-KRWDZBQOSA-N -1 3 363.421 2.651 20 30 FFEDHM N#Cc1ccc(Oc2nc(Cl)ncc2NCCCc2c[n-][nH]c2=O)cc1 ZINC001156285999 1029128875 /nfs/dbraw/zinc/12/88/75/1029128875.db2.gz UIRFYFGKUCKUQN-GFCCVEGCSA-N -1 3 370.800 2.718 20 30 FFEDHM N#Cc1cnc([N-]c2ccc([N+](=O)[O-])nc2)c(I)c1 ZINC001203566419 1030766387 /nfs/dbraw/zinc/76/63/87/1030766387.db2.gz IUSFCTWAVNLVDA-UHFFFAOYSA-N -1 3 367.106 2.605 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1nc2ccccc2nc1C ZINC001150859855 1031798508 /nfs/dbraw/zinc/79/85/08/1031798508.db2.gz VFOAQYCKCKGENI-UHFFFAOYSA-N -1 3 352.375 2.910 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnc3[nH]ccc3c2)c(C)c1[O-] ZINC001151019919 1031841683 /nfs/dbraw/zinc/84/16/83/1031841683.db2.gz QRPOZAYCNYANBL-UHFFFAOYSA-N -1 3 364.361 2.829 20 30 FFEDHM C=C(C)CN1C[C@@]2(CCN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276968240 1033866304 /nfs/dbraw/zinc/86/63/04/1033866304.db2.gz ZXPAAQZPFXUVGE-SFHVURJKSA-N -1 3 368.836 2.564 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)[n-]1 ZINC001225466915 1034264636 /nfs/dbraw/zinc/26/46/36/1034264636.db2.gz IDQWYPYQZWYFMC-TZMCWYRMSA-N -1 3 351.378 2.694 20 30 FFEDHM N#Cc1ccc(Oc2ccc(C(=O)N3CCCc4c(=O)[n-]cnc43)cc2)nc1 ZINC001535579357 1069845619 /nfs/dbraw/zinc/84/56/19/1069845619.db2.gz IWVUPXJQMXSHJR-UHFFFAOYSA-N -1 3 373.372 2.834 20 30 FFEDHM O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1)c1ncccc1[O-] ZINC001225829988 1034419088 /nfs/dbraw/zinc/41/90/88/1034419088.db2.gz YSPCJGTXXUOQQT-QZTJIDSGSA-N -1 3 367.424 2.609 20 30 FFEDHM C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(OCC(=O)[O-])cc1)C2 ZINC001138925884 1034814852 /nfs/dbraw/zinc/81/48/52/1034814852.db2.gz YCDNSZGPTXASNH-NRFANRHFSA-N -1 3 372.465 2.683 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCCC3)cc1Cl ZINC000835065672 1035502236 /nfs/dbraw/zinc/50/22/36/1035502236.db2.gz PSKBKVZFFQBIIT-ZDUSSCGKSA-N -1 3 372.812 2.843 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(C#N)ccc2[O-])[C@H]2OCC[C@@H]21 ZINC001227344715 1035513541 /nfs/dbraw/zinc/51/35/41/1035513541.db2.gz CSETULWORCLJHU-LXZKKBNFSA-N -1 3 360.410 2.810 20 30 FFEDHM CCCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c(OC)c1 ZINC000835077131 1035515819 /nfs/dbraw/zinc/51/58/19/1035515819.db2.gz PEGJXJGGUDAWMZ-OAHLLOKOSA-N -1 3 353.378 2.840 20 30 FFEDHM N#Cc1ccc([O-])c(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1 ZINC001232680035 1035938529 /nfs/dbraw/zinc/93/85/29/1035938529.db2.gz AETMSOXEKNTOBX-MRXNPFEDSA-N -1 3 353.397 2.797 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232969755 1036198657 /nfs/dbraw/zinc/19/86/57/1036198657.db2.gz VUYWXXXJAVXCQT-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM N#Cc1ccc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c([O-])c1 ZINC001233385185 1036585493 /nfs/dbraw/zinc/58/54/93/1036585493.db2.gz XRDGDPUIKCPDBJ-QGZVFWFLSA-N -1 3 352.438 2.519 20 30 FFEDHM N#Cc1ccc(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c([O-])c1 ZINC001233385132 1036585814 /nfs/dbraw/zinc/58/58/14/1036585814.db2.gz VUDUIXCQVGWDCW-ILZDJORESA-N -1 3 365.433 2.717 20 30 FFEDHM CO[C@H](CN1CCN(Cc2ccc(C#N)cc2[O-])CC1)c1ccccc1 ZINC001233387457 1036588766 /nfs/dbraw/zinc/58/87/66/1036588766.db2.gz KIUFSIBHVQHXTK-OAQYLSRUSA-N -1 3 351.450 2.769 20 30 FFEDHM N#Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c([O-])c1 ZINC001233388253 1036589182 /nfs/dbraw/zinc/58/91/82/1036589182.db2.gz RQHRLBAICDNGAO-GOSISDBHSA-N -1 3 353.397 2.797 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233393113 1036593657 /nfs/dbraw/zinc/59/36/57/1036593657.db2.gz BUXXWCWTKIFCIE-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM N#CCc1cccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000836763374 1036815707 /nfs/dbraw/zinc/81/57/07/1036815707.db2.gz QJEFKZIHFKMEQY-CYBMUJFWSA-N -1 3 368.359 2.675 20 30 FFEDHM N#Cc1cc([O-])cc(OC2CCN(C(=O)c3cccnc3Cl)CC2)c1 ZINC001234141385 1036938157 /nfs/dbraw/zinc/93/81/57/1036938157.db2.gz NZRGUSQANIKMRK-UHFFFAOYSA-N -1 3 357.797 2.996 20 30 FFEDHM N#Cc1ccnc(N2CCC(Oc3nc(=O)[n-]c4c3SCCC4)CC2)c1 ZINC001234921843 1037242423 /nfs/dbraw/zinc/24/24/23/1037242423.db2.gz MEVHRGUWQRHGNU-UHFFFAOYSA-N -1 3 369.450 2.535 20 30 FFEDHM C=CCOCC(COCC=C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231091612 1037465145 /nfs/dbraw/zinc/46/51/45/1037465145.db2.gz XSTYMBWQVLKHTR-UHFFFAOYSA-N -1 3 371.817 2.770 20 30 FFEDHM C#CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001277506295 1037532880 /nfs/dbraw/zinc/53/28/80/1037532880.db2.gz GIKIEEFMDQHHOS-CQSZACIVSA-N -1 3 350.821 2.536 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001278009236 1038263655 /nfs/dbraw/zinc/26/36/55/1038263655.db2.gz LSNDDIFVZDSDRQ-CQSZACIVSA-N -1 3 350.409 2.965 20 30 FFEDHM C=CCN1CC2(CCC1=O)CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC001276610258 1038626220 /nfs/dbraw/zinc/62/62/20/1038626220.db2.gz DCOVDKUPBTXREL-UHFFFAOYSA-N -1 3 360.429 2.915 20 30 FFEDHM C#CCN1CC[C@]2(CCCN2Cc2ccc([O-])c(C(F)(F)F)c2)C1=O ZINC001276632452 1038755314 /nfs/dbraw/zinc/75/53/14/1038755314.db2.gz QCOSYRWQXXPGSI-QGZVFWFLSA-N -1 3 352.356 2.611 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Br)cc1 ZINC001251883549 1039335719 /nfs/dbraw/zinc/33/57/19/1039335719.db2.gz FZBYKXVCRJUFMK-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM C=CCS(=O)(=O)[N-]c1ccccc1-c1nc(C(=O)OCC)cs1 ZINC001259931616 1040303470 /nfs/dbraw/zinc/30/34/70/1040303470.db2.gz SZUZWXYAOARFDJ-UHFFFAOYSA-N -1 3 352.437 2.915 20 30 FFEDHM Cc1cc(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cc2o1 ZINC001260044501 1040374684 /nfs/dbraw/zinc/37/46/84/1040374684.db2.gz CFIRPTMYLWIIKS-UHFFFAOYSA-N -1 3 354.387 2.915 20 30 FFEDHM C=CCn1cc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])nn1 ZINC001299675930 1040583558 /nfs/dbraw/zinc/58/35/58/1040583558.db2.gz YKNJQQVNYONUNM-UHFFFAOYSA-N -1 3 350.378 2.892 20 30 FFEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC001261060745 1040969381 /nfs/dbraw/zinc/96/93/81/1040969381.db2.gz BTPRVDIMSADBEA-UHFFFAOYSA-N -1 3 362.860 2.550 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(C)CC1(Cl)Cl ZINC001261272967 1041123141 /nfs/dbraw/zinc/12/31/41/1041123141.db2.gz BVQXWUFJWZSFNG-HNNXBMFYSA-N -1 3 356.253 2.908 20 30 FFEDHM CCOC(Cc1c(Nc2ccc(OC)c(C#N)c2)nc[n-]c1=O)OCC ZINC001214995973 1041638582 /nfs/dbraw/zinc/63/85/82/1041638582.db2.gz WAZXZYQRKMAZRE-UHFFFAOYSA-N -1 3 358.398 2.748 20 30 FFEDHM C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)c([O-])c1Cl ZINC001276736021 1041973989 /nfs/dbraw/zinc/97/39/89/1041973989.db2.gz QCZBEFBOIZJRKT-IBGZPJMESA-N -1 3 362.857 2.644 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001262962070 1041991632 /nfs/dbraw/zinc/99/16/32/1041991632.db2.gz CXTBCUKXZJDFJM-CYBMUJFWSA-N -1 3 358.427 2.931 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCc2ccc(F)cc2C1 ZINC001263323515 1042240752 /nfs/dbraw/zinc/24/07/52/1042240752.db2.gz RWBVNPSQWHSAQZ-UHFFFAOYSA-N -1 3 355.373 2.917 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OC ZINC001309759953 1043512477 /nfs/dbraw/zinc/51/24/77/1043512477.db2.gz BNKKAEJAJWVCEI-ZDUSSCGKSA-N -1 3 365.373 2.633 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(O)c(OC)c1 ZINC001321482965 1045681275 /nfs/dbraw/zinc/68/12/75/1045681275.db2.gz ORRZOMHMTJRPSA-UHFFFAOYSA-N -1 3 371.418 2.755 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1cc(C)cc(C)c1 ZINC001324016304 1045825602 /nfs/dbraw/zinc/82/56/02/1045825602.db2.gz OOYSZRVHXVVHPT-GOSISDBHSA-N -1 3 372.446 2.562 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1F ZINC001322326687 1046044746 /nfs/dbraw/zinc/04/47/46/1046044746.db2.gz XHLKYWBDCTVLMY-UHFFFAOYSA-N -1 3 351.334 2.596 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001325950874 1046696864 /nfs/dbraw/zinc/69/68/64/1046696864.db2.gz CADLWCQMWYUNIK-GFCCVEGCSA-N -1 3 363.252 2.946 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC001331722418 1048082984 /nfs/dbraw/zinc/08/29/84/1048082984.db2.gz JAYBXLNXAWPFAW-AWEZNQCLSA-N -1 3 367.471 2.539 20 30 FFEDHM Cc1cc(N(C)C)ccc1C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001328653169 1048402803 /nfs/dbraw/zinc/40/28/03/1048402803.db2.gz IXBRIHFRYSFECZ-AWEZNQCLSA-N -1 3 357.479 2.731 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001339854121 1050270780 /nfs/dbraw/zinc/27/07/80/1050270780.db2.gz JOGJYJZTZFIEIP-CABCVRRESA-N -1 3 354.458 2.952 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001341739315 1050356575 /nfs/dbraw/zinc/35/65/75/1050356575.db2.gz JADUOHBQCFWBGD-IBGZPJMESA-N -1 3 372.473 2.721 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC001298427362 1050441128 /nfs/dbraw/zinc/44/11/28/1050441128.db2.gz USEZWGUIAAJAPC-SNVBAGLBSA-N -1 3 374.447 2.821 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCOC2(CCCCC2)C1 ZINC001342130843 1050724973 /nfs/dbraw/zinc/72/49/73/1050724973.db2.gz ZXAQIPOSHXZQKZ-UHFFFAOYSA-N -1 3 370.457 2.556 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn([C@@H]2CCCCO2)c1 ZINC001301522375 1050912253 /nfs/dbraw/zinc/91/22/53/1050912253.db2.gz QDZODVOXQVBIRO-SFHVURJKSA-N -1 3 369.425 2.743 20 30 FFEDHM C=C(Br)C[N-]C(=O)C(F)(F)c1ncccc1Br ZINC001542487456 1071241654 /nfs/dbraw/zinc/24/16/54/1071241654.db2.gz OSOJBHBOOABOOQ-UHFFFAOYSA-N -1 3 369.991 2.961 20 30 FFEDHM C=CC[C@@H]1N(c2nnc(-c3cnc[n-]c3=O)n2CCOC)CCCC1(C)C ZINC001343038914 1051655823 /nfs/dbraw/zinc/65/58/23/1051655823.db2.gz ZQVUYOZJDKKBNF-HNNXBMFYSA-N -1 3 372.473 2.658 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](Oc2ccccc2)C1 ZINC001343731958 1052393733 /nfs/dbraw/zinc/39/37/33/1052393733.db2.gz HWSYKUVFVTUXNB-HNNXBMFYSA-N -1 3 367.409 2.873 20 30 FFEDHM N#CC(=C([O-])c1ccc(N2CCCC2=O)cc1)c1nc(N)c2ccccc2n1 ZINC001343983345 1052527686 /nfs/dbraw/zinc/52/76/86/1052527686.db2.gz SKAKULAFDRIVKV-INIZCTEOSA-N -1 3 371.400 2.829 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001309370815 1052607046 /nfs/dbraw/zinc/60/70/46/1052607046.db2.gz FZMWMZQHCBIMKO-UHFFFAOYSA-N -1 3 352.481 2.990 20 30 FFEDHM C=C[C@@H](C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)c1ccccc1 ZINC001347422375 1053965097 /nfs/dbraw/zinc/96/50/97/1053965097.db2.gz NDZNLMDHJHJZRL-QGZVFWFLSA-N -1 3 352.438 2.545 20 30 FFEDHM C=CCO[C@@H]1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC001336777079 1054218838 /nfs/dbraw/zinc/21/88/38/1054218838.db2.gz JADLRSOTJFINPN-LLVKDONJSA-N -1 3 353.444 2.907 20 30 FFEDHM C=CCSc1ccccc1C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001349221174 1055148314 /nfs/dbraw/zinc/14/83/14/1055148314.db2.gz DCMFNQVWOIPEHI-AWEZNQCLSA-N -1 3 370.478 2.777 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](OCCC(C)C)C1 ZINC001356139095 1055325814 /nfs/dbraw/zinc/32/58/14/1055325814.db2.gz HYTQUYPUTSSPDJ-OAHLLOKOSA-N -1 3 372.473 2.577 20 30 FFEDHM N#Cc1ccc(C2(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)CCC2)cc1 ZINC000847355644 1055583178 /nfs/dbraw/zinc/58/31/78/1055583178.db2.gz CRBQBXQZXSSTHS-UHFFFAOYSA-N -1 3 364.331 2.574 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001351334485 1056204563 /nfs/dbraw/zinc/20/45/63/1056204563.db2.gz YNQYCPGHZZMSCB-UHFFFAOYSA-N -1 3 368.832 2.635 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001351334485 1056204582 /nfs/dbraw/zinc/20/45/82/1056204582.db2.gz YNQYCPGHZZMSCB-UHFFFAOYSA-N -1 3 368.832 2.635 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1cn2c(n1)CCCC2 ZINC001518356938 1058355636 /nfs/dbraw/zinc/35/56/36/1058355636.db2.gz MSPHDYSPBNZXES-UHFFFAOYSA-N -1 3 368.437 2.527 20 30 FFEDHM Cn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC[C@@](C)(C#N)C1 ZINC001519522289 1058796920 /nfs/dbraw/zinc/79/69/20/1058796920.db2.gz DYTYOVMNJMFYTH-IBGZPJMESA-N -1 3 363.425 2.503 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)CC(F)(F)C(F)F)C1=O ZINC001448742676 1058814925 /nfs/dbraw/zinc/81/49/25/1058814925.db2.gz DCNBWZHSDTUWKU-CQSZACIVSA-N -1 3 369.359 2.979 20 30 FFEDHM C=CCN(C)CCN(CC)C(=O)c1cc(Br)c(F)cc1[O-] ZINC001448879870 1058835763 /nfs/dbraw/zinc/83/57/63/1058835763.db2.gz ATKNZZFFSWLEMS-UHFFFAOYSA-N -1 3 359.239 2.874 20 30 FFEDHM C[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1cccc(C(=O)c2ccccc2)c1 ZINC000848134588 1059104032 /nfs/dbraw/zinc/10/40/32/1059104032.db2.gz BWXIXSZSRLIYPT-KDOFPFPSSA-N -1 3 366.417 2.518 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C[C@@H]1CCCCO1 ZINC001519830648 1059112715 /nfs/dbraw/zinc/11/27/15/1059112715.db2.gz CMIMQFQUSNDYQA-HNNXBMFYSA-N -1 3 372.473 2.721 20 30 FFEDHM O=C(CCn1c2ccccc2c2ccccc21)N[C@H]1CCCN([O-])C1=O ZINC000848138238 1059114082 /nfs/dbraw/zinc/11/40/82/1059114082.db2.gz KTGFLOXDBQAMKZ-INIZCTEOSA-N -1 3 351.406 2.681 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001515002896 1059211063 /nfs/dbraw/zinc/21/10/63/1059211063.db2.gz LCOBYMJAOFINFB-NSHDSACASA-N -1 3 364.400 2.949 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](CC)O[C@@H](CC)C1 ZINC001515003119 1059211242 /nfs/dbraw/zinc/21/12/42/1059211242.db2.gz LOHODVTXNHJOFO-GJZGRUSLSA-N -1 3 372.473 2.719 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001515058221 1059269188 /nfs/dbraw/zinc/26/91/88/1059269188.db2.gz GPBQUIRDIXMFOL-UONOGXRCSA-N -1 3 369.469 2.575 20 30 FFEDHM C=CCOc1ccc(CC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001456404478 1060115868 /nfs/dbraw/zinc/11/58/68/1060115868.db2.gz YWHKDBYAKIBZNS-SNVBAGLBSA-N -1 3 354.332 2.808 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc(Cl)ncc3F)n2)cc1 ZINC001457030285 1060258664 /nfs/dbraw/zinc/25/86/64/1060258664.db2.gz OCSSNAKUFJUJQE-UHFFFAOYSA-N -1 3 356.748 2.638 20 30 FFEDHM CCCC[C@@](C)(F)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458001028 1060488034 /nfs/dbraw/zinc/48/80/34/1060488034.db2.gz COKYYHJMMYSRHT-GOSISDBHSA-N -1 3 350.390 2.809 20 30 FFEDHM Cc1cc(F)ccc1[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC001475659719 1061186226 /nfs/dbraw/zinc/18/62/26/1061186226.db2.gz VQFZRBKTSQVIBG-NSHDSACASA-N -1 3 363.370 2.954 20 30 FFEDHM C=CCCOCCCCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001527241768 1061443064 /nfs/dbraw/zinc/44/30/64/1061443064.db2.gz CHRWSMIYKJIZSB-CQSZACIVSA-N -1 3 364.408 2.667 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1OCc2ccccc21 ZINC001522549796 1062208485 /nfs/dbraw/zinc/20/84/85/1062208485.db2.gz DCZVDIGZRASJBC-SFHVURJKSA-N -1 3 351.406 2.596 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1Cc2ccc(O)cc2C1 ZINC001523785119 1062622083 /nfs/dbraw/zinc/62/20/83/1062622083.db2.gz DYSPOWZETNNXEA-UHFFFAOYSA-N -1 3 364.409 2.551 20 30 FFEDHM C=CCCn1cc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)nn1 ZINC001525567368 1063348155 /nfs/dbraw/zinc/34/81/55/1063348155.db2.gz SBTMPVKHUZMSCQ-UHFFFAOYSA-N -1 3 364.409 2.832 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1 ZINC001575190887 1078115300 /nfs/dbraw/zinc/11/53/00/1078115300.db2.gz UIBLZEWWJPLAGA-JTQLQIEISA-N -1 3 367.800 2.604 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1 ZINC001575190887 1078115301 /nfs/dbraw/zinc/11/53/01/1078115301.db2.gz UIBLZEWWJPLAGA-JTQLQIEISA-N -1 3 367.800 2.604 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H](O)c1c(F)cccc1F ZINC001471867400 1064828184 /nfs/dbraw/zinc/82/81/84/1064828184.db2.gz PQWAZHYRAVVVDU-AWEZNQCLSA-N -1 3 352.287 2.778 20 30 FFEDHM CCOC(=O)c1nc([C@H](CC(C)C)NCc2cccc(F)c2C#N)n[n-]1 ZINC001474606684 1065560315 /nfs/dbraw/zinc/56/03/15/1065560315.db2.gz OBEWWGKYKJPXBS-HNNXBMFYSA-N -1 3 359.405 2.869 20 30 FFEDHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cccc(F)c2C#N)[n-]1 ZINC001474606684 1065560324 /nfs/dbraw/zinc/56/03/24/1065560324.db2.gz OBEWWGKYKJPXBS-HNNXBMFYSA-N -1 3 359.405 2.869 20 30 FFEDHM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1C)c1ccc(C#N)c(Cl)c1 ZINC001577842245 1078407558 /nfs/dbraw/zinc/40/75/58/1078407558.db2.gz YEWIAMVGJYLBHL-UHFFFAOYSA-N -1 3 367.800 2.762 20 30 FFEDHM CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1C)c1ccc(C#N)c(Cl)c1 ZINC001577842245 1078407559 /nfs/dbraw/zinc/40/75/59/1078407559.db2.gz YEWIAMVGJYLBHL-UHFFFAOYSA-N -1 3 367.800 2.762 20 30 FFEDHM CN(c1cc(Br)c(-c2nnn[n-]2)cc1F)[C@H]1CCC[C@H]1C#N ZINC001579266073 1078606087 /nfs/dbraw/zinc/60/60/87/1078606087.db2.gz COQZFMLPBUXUSA-UFBFGSQYSA-N -1 3 365.210 2.897 20 30 FFEDHM CN(c1cc(Br)c(-c2nn[n-]n2)cc1F)[C@H]1CCC[C@H]1C#N ZINC001579266073 1078606089 /nfs/dbraw/zinc/60/60/89/1078606089.db2.gz COQZFMLPBUXUSA-UFBFGSQYSA-N -1 3 365.210 2.897 20 30 FFEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cncc(C(F)F)c1 ZINC001581857142 1079008387 /nfs/dbraw/zinc/00/83/87/1079008387.db2.gz QTCLVIJMDCHOPV-LBPRGKRZSA-N -1 3 369.335 2.520 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ncc2c1COCC2 ZINC001584220276 1079323978 /nfs/dbraw/zinc/32/39/78/1079323978.db2.gz NVIAPLBUEPTAEC-UHFFFAOYSA-N -1 3 364.317 2.933 20 30 FFEDHM N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCN([O-])C2=O)c1 ZINC001556749354 1075771379 /nfs/dbraw/zinc/77/13/79/1075771379.db2.gz DUALCEGAABWUBB-HNNXBMFYSA-N -1 3 371.780 2.724 20 30 FFEDHM C=CCCn1cc(C(=O)Nc2c(C)c(Br)ccc2[O-])nn1 ZINC001556771963 1075774177 /nfs/dbraw/zinc/77/41/77/1075774177.db2.gz RJSZZINFWVMRSH-UHFFFAOYSA-N -1 3 351.204 2.883 20 30 FFEDHM N#Cc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1F ZINC001557028871 1075800067 /nfs/dbraw/zinc/80/00/67/1075800067.db2.gz ZFJAFCHKKRZRAJ-UHFFFAOYSA-N -1 3 357.291 2.747 20 30 FFEDHM Cc1c(Br)cc(C(=O)N([O-])Cc2ccc(F)cc2)c(=O)n1C ZINC001559036936 1076118223 /nfs/dbraw/zinc/11/82/23/1076118223.db2.gz BZPJOBIRSHHHIF-UHFFFAOYSA-N -1 3 369.190 2.627 20 30 FFEDHM CCc1ncc(Cl)c(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)n1 ZINC001559046409 1076120876 /nfs/dbraw/zinc/12/08/76/1076120876.db2.gz FPJNXUWVNKDGSE-UHFFFAOYSA-N -1 3 353.773 2.601 20 30 FFEDHM Cc1cccc(Oc2ccc(NC(=O)N[C@H]3CCCN([O-])C3=O)cn2)c1C ZINC001562390630 1076492103 /nfs/dbraw/zinc/49/21/03/1076492103.db2.gz QOLHXFYHYWZDKM-HNNXBMFYSA-N -1 3 370.409 2.992 20 30 FFEDHM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)N[C@H]1CCCN([O-])C1=O ZINC001562465017 1076497399 /nfs/dbraw/zinc/49/73/99/1076497399.db2.gz SGTUOPZMHZDENL-INIZCTEOSA-N -1 3 374.441 2.707 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC)[C@@H]2CC2(C)C)ccc1F ZINC001570452507 1077207059 /nfs/dbraw/zinc/20/70/59/1077207059.db2.gz UEUFZJIMXIRERH-ZFWWWQNUSA-N -1 3 368.474 2.845 20 30 FFEDHM C#CCC1(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3ccccc3[O-])C2)CCC1 ZINC001573940433 1077854694 /nfs/dbraw/zinc/85/46/94/1077854694.db2.gz ZIOMUDKAXWMNHR-IAGOWNOFSA-N -1 3 368.477 2.800 20 30 FFEDHM C#C[C@H](CC)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001588326603 1079983579 /nfs/dbraw/zinc/98/35/79/1079983579.db2.gz QFWKXWOEMIWAMF-MRXNPFEDSA-N -1 3 360.421 2.745 20 30 FFEDHM C#C[C@H](CC)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001588326603 1079983584 /nfs/dbraw/zinc/98/35/84/1079983584.db2.gz QFWKXWOEMIWAMF-MRXNPFEDSA-N -1 3 360.421 2.745 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001588329445 1079985445 /nfs/dbraw/zinc/98/54/45/1079985445.db2.gz GKUHLXQTDFPDLR-NEPJUHHUSA-N -1 3 374.470 2.528 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001588329445 1079985454 /nfs/dbraw/zinc/98/54/54/1079985454.db2.gz GKUHLXQTDFPDLR-NEPJUHHUSA-N -1 3 374.470 2.528 20 30 FFEDHM C#CC[C@@H](C)OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC001588331695 1079986768 /nfs/dbraw/zinc/98/67/68/1079986768.db2.gz RCJJIJLYEFEBQE-GFCCVEGCSA-N -1 3 352.350 2.607 20 30 FFEDHM C#CC[C@@H](C)OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC001588331695 1079986775 /nfs/dbraw/zinc/98/67/75/1079986775.db2.gz RCJJIJLYEFEBQE-GFCCVEGCSA-N -1 3 352.350 2.607 20 30 FFEDHM C#CC[C@H](NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588333890 1079987737 /nfs/dbraw/zinc/98/77/37/1079987737.db2.gz HSPFHFBAFGGQBH-IBGZPJMESA-N -1 3 374.448 2.815 20 30 FFEDHM C#CC[C@H](NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588333890 1079987740 /nfs/dbraw/zinc/98/77/40/1079987740.db2.gz HSPFHFBAFGGQBH-IBGZPJMESA-N -1 3 374.448 2.815 20 30 FFEDHM C#CCCCC(=O)N[C@@H]1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588338598 1079990088 /nfs/dbraw/zinc/99/00/88/1079990088.db2.gz MXFOSAUHRUQZJG-ZIAGYGMSSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCCCC(=O)N[C@@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588338598 1079990092 /nfs/dbraw/zinc/99/00/92/1079990092.db2.gz MXFOSAUHRUQZJG-ZIAGYGMSSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)c(C)n1)[C@H]1CCCc2ccccc21 ZINC001588348532 1079991422 /nfs/dbraw/zinc/99/14/22/1079991422.db2.gz AKQLMCPFTDDZEM-IBGZPJMESA-N -1 3 372.432 2.723 20 30 FFEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)c(C)n1)[C@H]1CCCc2ccccc21 ZINC001588348532 1079991426 /nfs/dbraw/zinc/99/14/26/1079991426.db2.gz AKQLMCPFTDDZEM-IBGZPJMESA-N -1 3 372.432 2.723 20 30 FFEDHM C#CCNC(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001588353993 1079991658 /nfs/dbraw/zinc/99/16/58/1079991658.db2.gz NDZSAZNUEBEUML-UHFFFAOYSA-N -1 3 350.407 2.773 20 30 FFEDHM C#CCNC(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001588353993 1079991664 /nfs/dbraw/zinc/99/16/64/1079991664.db2.gz NDZSAZNUEBEUML-UHFFFAOYSA-N -1 3 350.407 2.773 20 30 FFEDHM C#CCN(C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC001588348977 1079992035 /nfs/dbraw/zinc/99/20/35/1079992035.db2.gz WSRMKBXCWXZSIR-UHFFFAOYSA-N -1 3 373.416 2.684 20 30 FFEDHM C#CCN(C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC001588348977 1079992041 /nfs/dbraw/zinc/99/20/41/1079992041.db2.gz WSRMKBXCWXZSIR-UHFFFAOYSA-N -1 3 373.416 2.684 20 30 FFEDHM C=C(Br)COc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588391907 1080002405 /nfs/dbraw/zinc/00/24/05/1080002405.db2.gz QTBSMDCNIIOISV-UHFFFAOYSA-N -1 3 360.009 2.917 20 30 FFEDHM C=C(Br)COc1cc(Br)ccc1-c1nn[n-]n1 ZINC001588391907 1080002415 /nfs/dbraw/zinc/00/24/15/1080002415.db2.gz QTBSMDCNIIOISV-UHFFFAOYSA-N -1 3 360.009 2.917 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588392234 1080003752 /nfs/dbraw/zinc/00/37/52/1080003752.db2.gz WZOIJEMDVDGDCD-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588392234 1080003762 /nfs/dbraw/zinc/00/37/62/1080003762.db2.gz WZOIJEMDVDGDCD-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588411429 1080014507 /nfs/dbraw/zinc/01/45/07/1080014507.db2.gz ATBSDGRKEVSMTA-IUODEOHRSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588411429 1080014513 /nfs/dbraw/zinc/01/45/13/1080014513.db2.gz ATBSDGRKEVSMTA-IUODEOHRSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C(C)CCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588412223 1080016283 /nfs/dbraw/zinc/01/62/83/1080016283.db2.gz UHLCIDLAGCNJON-INIZCTEOSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588412223 1080016295 /nfs/dbraw/zinc/01/62/95/1080016295.db2.gz UHLCIDLAGCNJON-INIZCTEOSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588416706 1080020702 /nfs/dbraw/zinc/02/07/02/1080020702.db2.gz YPCLLICYWPHDDR-CQSZACIVSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588416706 1080020716 /nfs/dbraw/zinc/02/07/16/1080020716.db2.gz YPCLLICYWPHDDR-CQSZACIVSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001588429293 1080025388 /nfs/dbraw/zinc/02/53/88/1080025388.db2.gz GURNEZMVCZNJJS-ZIAGYGMSSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001588429293 1080025396 /nfs/dbraw/zinc/02/53/96/1080025396.db2.gz GURNEZMVCZNJJS-ZIAGYGMSSA-N -1 3 364.457 2.936 20 30 FFEDHM C#CCC[C@@H](O)CNCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001588435221 1080027485 /nfs/dbraw/zinc/02/74/85/1080027485.db2.gz HKDDFRZNDOPBDM-LJQANCHMSA-N -1 3 353.418 2.828 20 30 FFEDHM C=C(Cl)C[C@@H](Nc1cc(C)cc(F)c1-c1nnn[n-]1)C(=O)OCC ZINC001588449043 1080031694 /nfs/dbraw/zinc/03/16/94/1080031694.db2.gz DYRRNFAIQLZBLN-GFCCVEGCSA-N -1 3 353.785 2.800 20 30 FFEDHM C=C(Cl)C[C@@H](Nc1cc(C)cc(F)c1-c1nn[n-]n1)C(=O)OCC ZINC001588449043 1080031703 /nfs/dbraw/zinc/03/17/03/1080031703.db2.gz DYRRNFAIQLZBLN-GFCCVEGCSA-N -1 3 353.785 2.800 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588454715 1080032416 /nfs/dbraw/zinc/03/24/16/1080032416.db2.gz GQGUTLAZWYZMAG-QWHCGFSZSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588454715 1080032423 /nfs/dbraw/zinc/03/24/23/1080032423.db2.gz GQGUTLAZWYZMAG-QWHCGFSZSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001588462938 1080037685 /nfs/dbraw/zinc/03/76/85/1080037685.db2.gz USLRCMDQLYNKHF-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001588462938 1080037694 /nfs/dbraw/zinc/03/76/94/1080037694.db2.gz USLRCMDQLYNKHF-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=CC(C)(C)C(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001588474075 1080039921 /nfs/dbraw/zinc/03/99/21/1080039921.db2.gz CATOPQPGCDMFAP-UHFFFAOYSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC(C)(C)C(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001588474075 1080039930 /nfs/dbraw/zinc/03/99/30/1080039930.db2.gz CATOPQPGCDMFAP-UHFFFAOYSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588483475 1080046153 /nfs/dbraw/zinc/04/61/53/1080046153.db2.gz LIDVDEOKODYGNY-UHFFFAOYSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588483475 1080046160 /nfs/dbraw/zinc/04/61/60/1080046160.db2.gz LIDVDEOKODYGNY-UHFFFAOYSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588484192 1080047972 /nfs/dbraw/zinc/04/79/72/1080047972.db2.gz ZWWREMYUNJGDOE-UONOGXRCSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588484192 1080047978 /nfs/dbraw/zinc/04/79/78/1080047978.db2.gz ZWWREMYUNJGDOE-UONOGXRCSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588484441 1080048960 /nfs/dbraw/zinc/04/89/60/1080048960.db2.gz DBCWJXCXQZARQI-OAHLLOKOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588484441 1080048970 /nfs/dbraw/zinc/04/89/70/1080048970.db2.gz DBCWJXCXQZARQI-OAHLLOKOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588520758 1080074029 /nfs/dbraw/zinc/07/40/29/1080074029.db2.gz DJGWXUXEPNVBSA-LSDHHAIUSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588520758 1080074039 /nfs/dbraw/zinc/07/40/39/1080074039.db2.gz DJGWXUXEPNVBSA-LSDHHAIUSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588521925 1080075063 /nfs/dbraw/zinc/07/50/63/1080075063.db2.gz WJPGBNAUNSEYIW-UONOGXRCSA-N -1 3 372.448 2.645 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588521925 1080075074 /nfs/dbraw/zinc/07/50/74/1080075074.db2.gz WJPGBNAUNSEYIW-UONOGXRCSA-N -1 3 372.448 2.645 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588521923 1080075186 /nfs/dbraw/zinc/07/51/86/1080075186.db2.gz WJPGBNAUNSEYIW-KBPBESRZSA-N -1 3 372.448 2.645 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588521923 1080075195 /nfs/dbraw/zinc/07/51/95/1080075195.db2.gz WJPGBNAUNSEYIW-KBPBESRZSA-N -1 3 372.448 2.645 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001588523066 1080076695 /nfs/dbraw/zinc/07/66/95/1080076695.db2.gz IGKSWUVUCXOWLR-HOCLYGCPSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001588523066 1080076703 /nfs/dbraw/zinc/07/67/03/1080076703.db2.gz IGKSWUVUCXOWLR-HOCLYGCPSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C1 ZINC001588532365 1080081124 /nfs/dbraw/zinc/08/11/24/1080081124.db2.gz TUOMOWSBBBKDSA-OAHLLOKOSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C1 ZINC001588532365 1080081132 /nfs/dbraw/zinc/08/11/32/1080081132.db2.gz TUOMOWSBBBKDSA-OAHLLOKOSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588533326 1080084175 /nfs/dbraw/zinc/08/41/75/1080084175.db2.gz UXVSRJWCWUHMFQ-UHFFFAOYSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCC(C)(C)C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588533326 1080084182 /nfs/dbraw/zinc/08/41/82/1080084182.db2.gz UXVSRJWCWUHMFQ-UHFFFAOYSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588545917 1080088478 /nfs/dbraw/zinc/08/84/78/1080088478.db2.gz RKIMKULUYZNPQG-KRWDZBQOSA-N -1 3 363.421 2.549 20 30 FFEDHM C=CCC1(C(=O)OCc2c(C)cc(-c3nnn[n-]3)cc2C)CCOCC1 ZINC001588557094 1080095277 /nfs/dbraw/zinc/09/52/77/1080095277.db2.gz YLTMZQGGOSDJQC-UHFFFAOYSA-N -1 3 356.426 2.900 20 30 FFEDHM C=CCC1(C(=O)OCc2c(C)cc(-c3nn[n-]n3)cc2C)CCOCC1 ZINC001588557094 1080095284 /nfs/dbraw/zinc/09/52/84/1080095284.db2.gz YLTMZQGGOSDJQC-UHFFFAOYSA-N -1 3 356.426 2.900 20 30 FFEDHM C=CCC1(CNS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCCC1 ZINC001588558061 1080097313 /nfs/dbraw/zinc/09/73/13/1080097313.db2.gz ZEVKVZFHKLSWAZ-UHFFFAOYSA-N -1 3 361.471 2.590 20 30 FFEDHM C=CCC1(CNS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCCC1 ZINC001588558061 1080097324 /nfs/dbraw/zinc/09/73/24/1080097324.db2.gz ZEVKVZFHKLSWAZ-UHFFFAOYSA-N -1 3 361.471 2.590 20 30 FFEDHM C=CCCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588562215 1080098000 /nfs/dbraw/zinc/09/80/00/1080098000.db2.gz KCQRPIICEVBCRM-ZDUSSCGKSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588562215 1080098005 /nfs/dbraw/zinc/09/80/05/1080098005.db2.gz KCQRPIICEVBCRM-ZDUSSCGKSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)NCC[C@@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001588572401 1080103891 /nfs/dbraw/zinc/10/38/91/1080103891.db2.gz HQGCNZODYIWSKR-GFCCVEGCSA-N -1 3 363.491 2.541 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588582379 1080108554 /nfs/dbraw/zinc/10/85/54/1080108554.db2.gz ITYBEERHOGLAJX-OAHLLOKOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001588582379 1080108556 /nfs/dbraw/zinc/10/85/56/1080108556.db2.gz ITYBEERHOGLAJX-OAHLLOKOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCN(CC(=O)Nc1cccc(F)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588628374 1080127653 /nfs/dbraw/zinc/12/76/53/1080127653.db2.gz WOYGCXOVUVYQKT-UHFFFAOYSA-N -1 3 366.400 2.633 20 30 FFEDHM C=CCN(CC(=O)Nc1cccc(F)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588628374 1080127658 /nfs/dbraw/zinc/12/76/58/1080127658.db2.gz WOYGCXOVUVYQKT-UHFFFAOYSA-N -1 3 366.400 2.633 20 30 FFEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)cc1Br)[C@H](C)COC ZINC001588635109 1080130902 /nfs/dbraw/zinc/13/09/02/1080130902.db2.gz DDLGNOBEQGRRPL-LLVKDONJSA-N -1 3 366.263 2.652 20 30 FFEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)cc1Br)[C@H](C)COC ZINC001588635109 1080130909 /nfs/dbraw/zinc/13/09/09/1080130909.db2.gz DDLGNOBEQGRRPL-LLVKDONJSA-N -1 3 366.263 2.652 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCOC(C)(C)C ZINC001588639712 1080133222 /nfs/dbraw/zinc/13/32/22/1080133222.db2.gz FMBREOMPNWJDSS-UHFFFAOYSA-N -1 3 357.458 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCOC(C)(C)C ZINC001588639712 1080133229 /nfs/dbraw/zinc/13/32/29/1080133229.db2.gz FMBREOMPNWJDSS-UHFFFAOYSA-N -1 3 357.458 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nncc2ccccc21 ZINC001588648774 1080137839 /nfs/dbraw/zinc/13/78/39/1080137839.db2.gz UVUQBXZXFAXZOX-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nncc2ccccc21 ZINC001588648774 1080137846 /nfs/dbraw/zinc/13/78/46/1080137846.db2.gz UVUQBXZXFAXZOX-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc(C)nc1C ZINC001588647746 1080138481 /nfs/dbraw/zinc/13/84/81/1080138481.db2.gz DKNLUVIPMFHLMZ-UHFFFAOYSA-N -1 3 354.439 2.768 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sc(C)nc1C ZINC001588647746 1080138487 /nfs/dbraw/zinc/13/84/87/1080138487.db2.gz DKNLUVIPMFHLMZ-UHFFFAOYSA-N -1 3 354.439 2.768 20 30 FFEDHM C=CCNC(=O)Nc1cnc(Oc2ccccc2-c2nnn[n-]2)cc1C ZINC001588658517 1080144753 /nfs/dbraw/zinc/14/47/53/1080144753.db2.gz OIADDIAJILFTDF-UHFFFAOYSA-N -1 3 351.370 2.670 20 30 FFEDHM C=CCNC(=O)Nc1cnc(Oc2ccccc2-c2nn[n-]n2)cc1C ZINC001588658517 1080144756 /nfs/dbraw/zinc/14/47/56/1080144756.db2.gz OIADDIAJILFTDF-UHFFFAOYSA-N -1 3 351.370 2.670 20 30 FFEDHM C=CCNc1ncc(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC001588665271 1080147099 /nfs/dbraw/zinc/14/70/99/1080147099.db2.gz ISLDEUHAXVLRNB-UHFFFAOYSA-N -1 3 369.454 2.586 20 30 FFEDHM C=CCNc1ncc(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC001588665271 1080147103 /nfs/dbraw/zinc/14/71/03/1080147103.db2.gz ISLDEUHAXVLRNB-UHFFFAOYSA-N -1 3 369.454 2.586 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588689044 1080155728 /nfs/dbraw/zinc/15/57/28/1080155728.db2.gz WIGCIYOZXYWOMR-AREMUKBSSA-N -1 3 367.434 2.649 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588689044 1080155733 /nfs/dbraw/zinc/15/57/33/1080155733.db2.gz WIGCIYOZXYWOMR-AREMUKBSSA-N -1 3 367.434 2.649 20 30 FFEDHM C=CCOc1ccc(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001588689332 1080156445 /nfs/dbraw/zinc/15/64/45/1080156445.db2.gz FMTDEJNNLFFSEE-UHFFFAOYSA-N -1 3 368.368 2.857 20 30 FFEDHM C=CCOc1ccc(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001588689332 1080156452 /nfs/dbraw/zinc/15/64/52/1080156452.db2.gz FMTDEJNNLFFSEE-UHFFFAOYSA-N -1 3 368.368 2.857 20 30 FFEDHM C=CCc1ccc(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC001588695669 1080159812 /nfs/dbraw/zinc/15/98/12/1080159812.db2.gz ZCKGHAWRWFTDAG-UHFFFAOYSA-N -1 3 350.378 2.752 20 30 FFEDHM C=CCc1ccc(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC001588695669 1080159816 /nfs/dbraw/zinc/15/98/16/1080159816.db2.gz ZCKGHAWRWFTDAG-UHFFFAOYSA-N -1 3 350.378 2.752 20 30 FFEDHM C=CCn1c(CC2CC2)nnc1N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588703782 1080161985 /nfs/dbraw/zinc/16/19/85/1080161985.db2.gz UNKUTXCJIMGRHQ-ZDUSSCGKSA-N -1 3 364.457 2.794 20 30 FFEDHM C=CCn1c(CC2CC2)nnc1N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588703782 1080161992 /nfs/dbraw/zinc/16/19/92/1080161992.db2.gz UNKUTXCJIMGRHQ-ZDUSSCGKSA-N -1 3 364.457 2.794 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)ccc1Br)[C@@H]1CCCCO1 ZINC001588777191 1080190933 /nfs/dbraw/zinc/19/09/33/1080190933.db2.gz ILZRGFSSHAODAQ-ZDUSSCGKSA-N -1 3 365.235 2.986 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)ccc1Br)[C@@H]1CCCCO1 ZINC001588777191 1080190938 /nfs/dbraw/zinc/19/09/38/1080190938.db2.gz ILZRGFSSHAODAQ-ZDUSSCGKSA-N -1 3 365.235 2.986 20 30 FFEDHM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC001588781009 1080193451 /nfs/dbraw/zinc/19/34/51/1080193451.db2.gz WYGBGCUNBXGQGM-UHFFFAOYSA-N -1 3 359.296 2.889 20 30 FFEDHM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC001588781009 1080193455 /nfs/dbraw/zinc/19/34/55/1080193455.db2.gz WYGBGCUNBXGQGM-UHFFFAOYSA-N -1 3 359.296 2.889 20 30 FFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001588893622 1080242138 /nfs/dbraw/zinc/24/21/38/1080242138.db2.gz WQMAOBGGEDJKGP-HNNXBMFYSA-N -1 3 360.377 2.705 20 30 FFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001588893622 1080242145 /nfs/dbraw/zinc/24/21/45/1080242145.db2.gz WQMAOBGGEDJKGP-HNNXBMFYSA-N -1 3 360.377 2.705 20 30 FFEDHM C[C@H](C#N)OCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001588934898 1080271429 /nfs/dbraw/zinc/27/14/29/1080271429.db2.gz ZGDDSLLIOWZWRS-CYBMUJFWSA-N -1 3 363.377 2.619 20 30 FFEDHM C[C@H](C#N)OCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001588934898 1080271437 /nfs/dbraw/zinc/27/14/37/1080271437.db2.gz ZGDDSLLIOWZWRS-CYBMUJFWSA-N -1 3 363.377 2.619 20 30 FFEDHM C[C@H](C#N)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC001589335075 1080486850 /nfs/dbraw/zinc/48/68/50/1080486850.db2.gz MXBPYIUAKUYVMI-YJYMSZOUSA-N -1 3 352.390 2.828 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC001589752986 1080704415 /nfs/dbraw/zinc/70/44/15/1080704415.db2.gz MXMPDYRMDAAUGK-HIFRSBDPSA-N -1 3 369.429 2.810 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC001589752986 1080704424 /nfs/dbraw/zinc/70/44/24/1080704424.db2.gz MXMPDYRMDAAUGK-HIFRSBDPSA-N -1 3 369.429 2.810 20 30 FFEDHM C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589915116 1080857396 /nfs/dbraw/zinc/85/73/96/1080857396.db2.gz FLDPJJAATKDSJY-KDOFPFPSSA-N -1 3 360.421 2.816 20 30 FFEDHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590033444 1080958786 /nfs/dbraw/zinc/95/87/86/1080958786.db2.gz VKNDPLNJBAXVSO-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590033444 1080958797 /nfs/dbraw/zinc/95/87/97/1080958797.db2.gz VKNDPLNJBAXVSO-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC001590037583 1080962242 /nfs/dbraw/zinc/96/22/42/1080962242.db2.gz NSFSHBNPTYVYIJ-ZETCQYMHSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC001590037583 1080962245 /nfs/dbraw/zinc/96/22/45/1080962245.db2.gz NSFSHBNPTYVYIJ-ZETCQYMHSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@]1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001590055623 1080983522 /nfs/dbraw/zinc/98/35/22/1080983522.db2.gz VOWVDUQDMBZZBB-CQSZACIVSA-N -1 3 365.319 2.653 20 30 FFEDHM C[C@]1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001590055623 1080983529 /nfs/dbraw/zinc/98/35/29/1080983529.db2.gz VOWVDUQDMBZZBB-CQSZACIVSA-N -1 3 365.319 2.653 20 30 FFEDHM CC1(C)CCC(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590089935 1081001327 /nfs/dbraw/zinc/00/13/27/1081001327.db2.gz BPLNDTACEBDLTM-OAHLLOKOSA-N -1 3 352.442 2.634 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(C(C)(C)O)s1 ZINC000290454119 257332075 /nfs/dbraw/zinc/33/20/75/257332075.db2.gz DSQIVGMMRILLJW-UHFFFAOYSA-N -1 3 360.439 2.531 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000064855970 506236774 /nfs/dbraw/zinc/23/67/74/506236774.db2.gz XVQYVHWTBXQTPK-LBPRGKRZSA-N -1 3 370.521 2.691 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000067091736 506754104 /nfs/dbraw/zinc/75/41/04/506754104.db2.gz IGZZKUDPWDYZEF-WMZOPIPTSA-N -1 3 353.397 2.607 20 30 FFEDHM Cc1[n-]c(=NC(=O)c2cc(=O)[nH]c3ccccc32)sc1SCC#N ZINC000044789565 506886936 /nfs/dbraw/zinc/88/69/36/506886936.db2.gz CZRHKLNNICADQW-UHFFFAOYSA-N -1 3 356.432 3.161 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cccn3)cc2)n1 ZINC000067896557 507045063 /nfs/dbraw/zinc/04/50/63/507045063.db2.gz CXKDKGMAAIVUJE-AWEZNQCLSA-N -1 3 366.402 2.996 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(C#N)CCCCC2)cc1OC ZINC000057432990 507262946 /nfs/dbraw/zinc/26/29/46/507262946.db2.gz WYVNOMCRBUXCQY-UHFFFAOYSA-N -1 3 365.455 2.869 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)ccc1F ZINC000047449435 507336373 /nfs/dbraw/zinc/33/63/73/507336373.db2.gz SYTBRPAIWFQGIZ-LBPRGKRZSA-N -1 3 366.458 2.693 20 30 FFEDHM N#CCCCCS(=O)(=O)[N-][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000068881099 507347078 /nfs/dbraw/zinc/34/70/78/507347078.db2.gz RLYLGNKLVYDXNT-GOSISDBHSA-N -1 3 371.462 2.980 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000024498612 507417724 /nfs/dbraw/zinc/41/77/24/507417724.db2.gz JZTJILNMQYOQMP-UHFFFAOYSA-N -1 3 363.417 2.707 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)cc3)C2)s1 ZINC000367102179 512338508 /nfs/dbraw/zinc/33/85/08/512338508.db2.gz VCBFOPDRDIAMPK-LBPRGKRZSA-N -1 3 365.455 2.564 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000060615267 507566832 /nfs/dbraw/zinc/56/68/32/507566832.db2.gz SICIKPUFSVHNRK-UHFFFAOYSA-N -1 3 367.365 2.743 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000060615267 507566839 /nfs/dbraw/zinc/56/68/39/507566839.db2.gz SICIKPUFSVHNRK-UHFFFAOYSA-N -1 3 367.365 2.743 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000060615267 507566847 /nfs/dbraw/zinc/56/68/47/507566847.db2.gz SICIKPUFSVHNRK-UHFFFAOYSA-N -1 3 367.365 2.743 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(C#N)cc3)c2)n1 ZINC000049302026 507611712 /nfs/dbraw/zinc/61/17/12/507611712.db2.gz GFBJUAIBMFJURP-UHFFFAOYSA-N -1 3 374.400 2.888 20 30 FFEDHM COc1ccc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1 ZINC000109554527 507968810 /nfs/dbraw/zinc/96/88/10/507968810.db2.gz CJTCMKITSOTPFG-UHFFFAOYSA-N -1 3 364.405 2.631 20 30 FFEDHM O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000079814757 508003476 /nfs/dbraw/zinc/00/34/76/508003476.db2.gz MEUYJHOMAREWRC-UHFFFAOYSA-N -1 3 362.349 2.577 20 30 FFEDHM O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000079814757 508003480 /nfs/dbraw/zinc/00/34/80/508003480.db2.gz MEUYJHOMAREWRC-UHFFFAOYSA-N -1 3 362.349 2.577 20 30 FFEDHM O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000079814757 508003484 /nfs/dbraw/zinc/00/34/84/508003484.db2.gz MEUYJHOMAREWRC-UHFFFAOYSA-N -1 3 362.349 2.577 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000080778530 508102795 /nfs/dbraw/zinc/10/27/95/508102795.db2.gz BILDEHQRVFBHIQ-LBPRGKRZSA-N -1 3 371.412 2.519 20 30 FFEDHM C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(C)C ZINC000084926525 508297297 /nfs/dbraw/zinc/29/72/97/508297297.db2.gz BZANNSQEADTSCS-INIZCTEOSA-N -1 3 374.510 2.809 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000104544270 508338759 /nfs/dbraw/zinc/33/87/59/508338759.db2.gz UFVURLIJTUYLCW-UHFFFAOYSA-N -1 3 356.470 2.975 20 30 FFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1cccs1 ZINC000114736114 508343566 /nfs/dbraw/zinc/34/35/66/508343566.db2.gz RQLPGCCCZOTTAN-CYBMUJFWSA-N -1 3 364.448 2.511 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000127239912 508419111 /nfs/dbraw/zinc/41/91/11/508419111.db2.gz JVFZBMAEMVIOCS-INIZCTEOSA-N -1 3 371.481 2.632 20 30 FFEDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000156533979 508435266 /nfs/dbraw/zinc/43/52/66/508435266.db2.gz VFKBEZPHBXCKNG-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000156986012 508506409 /nfs/dbraw/zinc/50/64/09/508506409.db2.gz CGKHRYNJDXQCAE-UHFFFAOYSA-N -1 3 370.858 2.612 20 30 FFEDHM N#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000134261929 508514464 /nfs/dbraw/zinc/51/44/64/508514464.db2.gz TWAMIHNUCARRIH-QGZVFWFLSA-N -1 3 370.840 2.707 20 30 FFEDHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000152969046 508534876 /nfs/dbraw/zinc/53/48/76/508534876.db2.gz UVEXRNSUNCKKLW-GFCCVEGCSA-N -1 3 364.446 2.997 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000157649391 508591937 /nfs/dbraw/zinc/59/19/37/508591937.db2.gz JXRDFDHWFMQOSE-SMDDNHRTSA-N -1 3 352.337 2.810 20 30 FFEDHM COc1ccccc1C(=O)C(C(=S)[N-]C1CC1)[n+]1cc([O-])ccc1C ZINC000139838941 508796025 /nfs/dbraw/zinc/79/60/25/508796025.db2.gz GTWXODBORDVGPC-UHFFFAOYSA-O -1 3 357.455 2.688 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c(F)cccc2C1 ZINC000161096625 509071039 /nfs/dbraw/zinc/07/10/39/509071039.db2.gz KNIGDLSQXCKMBU-UHFFFAOYSA-N -1 3 353.397 2.520 20 30 FFEDHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000127014048 509159061 /nfs/dbraw/zinc/15/90/61/509159061.db2.gz RYOWBFDGDQYVKJ-UHFFFAOYSA-N -1 3 359.407 2.604 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c1 ZINC000161923652 509164458 /nfs/dbraw/zinc/16/44/58/509164458.db2.gz ARYQOGPTQWEJJX-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000416576290 513843929 /nfs/dbraw/zinc/84/39/29/513843929.db2.gz DBHSAFZSXBSTGS-SNVBAGLBSA-N -1 3 350.362 2.528 20 30 FFEDHM C=CCN(CCOC)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000191972381 509272222 /nfs/dbraw/zinc/27/22/22/509272222.db2.gz VGKPRLDFNCTRKB-UHFFFAOYSA-N -1 3 365.227 2.565 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000162735093 509289664 /nfs/dbraw/zinc/28/96/64/509289664.db2.gz PNQLFPUNBKKDEF-UHFFFAOYSA-N -1 3 361.405 2.825 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000267641512 509578014 /nfs/dbraw/zinc/57/80/14/509578014.db2.gz QWLJFQDBPFESBZ-NSHDSACASA-N -1 3 351.453 2.509 20 30 FFEDHM CCS[C@H]1CCC[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000176737983 509665607 /nfs/dbraw/zinc/66/56/07/509665607.db2.gz QTJLSAOQRRHEKD-GJZGRUSLSA-N -1 3 361.511 2.977 20 30 FFEDHM CCS[C@@H]1CCC[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000176737998 509665620 /nfs/dbraw/zinc/66/56/20/509665620.db2.gz QTJLSAOQRRHEKD-HUUCEWRRSA-N -1 3 361.511 2.977 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC000189723345 509721358 /nfs/dbraw/zinc/72/13/58/509721358.db2.gz RQVQXWHGIVDQCM-LBPRGKRZSA-N -1 3 358.829 2.722 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)c(F)c1 ZINC000180184724 509799559 /nfs/dbraw/zinc/79/95/59/509799559.db2.gz RSGGWYHMIZBQTQ-HNNXBMFYSA-N -1 3 370.352 2.642 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3cc(C#N)ccc3C)CCCCC2)no1 ZINC000265095089 509857902 /nfs/dbraw/zinc/85/79/02/509857902.db2.gz BVDWFGITTKHNMP-UHFFFAOYSA-N -1 3 360.439 2.696 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Oc1ccccc1 ZINC000183663004 509912646 /nfs/dbraw/zinc/91/26/46/509912646.db2.gz PURPZGNTZUOGGJ-LBPRGKRZSA-N -1 3 350.827 2.957 20 30 FFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183667074 509917304 /nfs/dbraw/zinc/91/73/04/509917304.db2.gz DPNSPNDRYANWIP-MRVPVSSYSA-N -1 3 352.225 2.840 20 30 FFEDHM N#CC1(NC(=O)Cc2csc(NC(=O)c3cccc([O-])c3)n2)CCCC1 ZINC000177397473 510035968 /nfs/dbraw/zinc/03/59/68/510035968.db2.gz TWPYVCZSPOCOTN-UHFFFAOYSA-N -1 3 370.434 2.596 20 30 FFEDHM N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc([O-])cc2Cl)cn1 ZINC000184279194 510237757 /nfs/dbraw/zinc/23/77/57/510237757.db2.gz NJGPXGMVRUXCJY-UHFFFAOYSA-N -1 3 353.769 2.679 20 30 FFEDHM C=CC[C@H](C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000187485489 510294990 /nfs/dbraw/zinc/29/49/90/510294990.db2.gz OJWNDNUAKIIGJW-ZWKOTPCHSA-N -1 3 363.417 2.736 20 30 FFEDHM COCCS(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000174771442 510302451 /nfs/dbraw/zinc/30/24/51/510302451.db2.gz CWRJJZICALGZMR-UHFFFAOYSA-N -1 3 350.371 2.878 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000177997312 510366708 /nfs/dbraw/zinc/36/67/08/510366708.db2.gz PSBLGIJPGHOKPQ-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM N#CC(=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nc2ccccc2[nH]1 ZINC000181391750 510388519 /nfs/dbraw/zinc/38/85/19/510388519.db2.gz NSXPEMNLFHFQKE-SNVBAGLBSA-N -1 3 350.290 2.690 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCO[C@H]1CC(C)C ZINC000184814435 510527673 /nfs/dbraw/zinc/52/76/73/510527673.db2.gz SZNJSSTUPLUOCY-ROUUACIJSA-N -1 3 359.470 2.506 20 30 FFEDHM COc1ccccc1-c1noc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)n1 ZINC000266365752 510541621 /nfs/dbraw/zinc/54/16/21/510541621.db2.gz UBAFZRBLJUYXMC-NLTBIBMSSA-N -1 3 368.393 2.827 20 30 FFEDHM CC(=O)c1ccc(F)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000184865319 510553976 /nfs/dbraw/zinc/55/39/76/510553976.db2.gz SENXWYISFIPUBJ-UHFFFAOYSA-N -1 3 355.369 2.776 20 30 FFEDHM N#CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000275402191 510899192 /nfs/dbraw/zinc/89/91/92/510899192.db2.gz OFYQGAZQYWCWEU-CQSZACIVSA-N -1 3 372.874 2.870 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000360372003 510902503 /nfs/dbraw/zinc/90/25/03/510902503.db2.gz UNGXFVUZTMLWLC-GOSISDBHSA-N -1 3 350.422 2.967 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000275771201 510916257 /nfs/dbraw/zinc/91/62/57/510916257.db2.gz WENPRMLCEHCGCF-KRWDZBQOSA-N -1 3 370.471 2.624 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000275771204 510916441 /nfs/dbraw/zinc/91/64/41/510916441.db2.gz WENPRMLCEHCGCF-QGZVFWFLSA-N -1 3 370.471 2.624 20 30 FFEDHM COCCn1nc(C)c(C(=O)/C=C/c2cc(OC)c([O-])c(OC)c2)c1C ZINC000270777738 510981975 /nfs/dbraw/zinc/98/19/75/510981975.db2.gz IOEOHZHDOSUXTJ-VOTSOKGWSA-N -1 3 360.410 2.765 20 30 FFEDHM C=CCC[C@H](C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)c1ccccc1 ZINC000286329451 511022367 /nfs/dbraw/zinc/02/23/67/511022367.db2.gz VEFVPUUWJMTFNE-WWMYMODYSA-N -1 3 369.465 2.716 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)ccc1F ZINC000330897139 511027056 /nfs/dbraw/zinc/02/70/56/511027056.db2.gz TUELMBBQJGGYCK-GXSJLCMTSA-N -1 3 357.407 2.596 20 30 FFEDHM C[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000287524774 511051880 /nfs/dbraw/zinc/05/18/80/511051880.db2.gz VFHFVGCRNVAZCX-XEZPLFJOSA-N -1 3 369.387 2.866 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@](C)(CC)OC)no2)ccc1F ZINC000290146389 511128985 /nfs/dbraw/zinc/12/89/85/511128985.db2.gz PHMCXCBLBFBKQE-INIZCTEOSA-N -1 3 369.418 2.612 20 30 FFEDHM C[C@@H](N=Cc1ccc(O)c([O-])c1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291035615 511156965 /nfs/dbraw/zinc/15/69/65/511156965.db2.gz XQOSZNBGMAKIJK-KIHMUJGBSA-N -1 3 355.394 2.903 20 30 FFEDHM C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000291711433 511306954 /nfs/dbraw/zinc/30/69/54/511306954.db2.gz GHHJQDZPUSDGSZ-ZDUSSCGKSA-N -1 3 355.460 2.592 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]c3ncc(C#N)cc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000295638374 511468658 /nfs/dbraw/zinc/46/86/58/511468658.db2.gz XZOKPZVYCPPUHD-TXEJJXNPSA-N -1 3 354.370 2.614 20 30 FFEDHM C#CCN(C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1)C1CC1 ZINC000274122090 511725748 /nfs/dbraw/zinc/72/57/48/511725748.db2.gz SXHOXOIILFWUEF-QPJJXVBHSA-N -1 3 350.212 2.801 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000296558133 511796995 /nfs/dbraw/zinc/79/69/95/511796995.db2.gz CGSPLYKMMBEYQH-UHFFFAOYSA-N -1 3 368.846 2.749 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)c(C(F)(F)F)c1 ZINC000274520239 511862031 /nfs/dbraw/zinc/86/20/31/511862031.db2.gz XDYOIPKHUKVDEL-LBPRGKRZSA-N -1 3 374.340 2.572 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-][C@@](C)(C#N)CSC)c(Cl)c1Cl ZINC000285235773 512048527 /nfs/dbraw/zinc/04/85/27/512048527.db2.gz YYOGZDUZHWBPGR-LBPRGKRZSA-N -1 3 369.295 2.926 20 30 FFEDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2C#N)c2ccccn2)cc1 ZINC000373686363 512456364 /nfs/dbraw/zinc/45/63/64/512456364.db2.gz RGCKTBRTJMHSAY-IBGZPJMESA-N -1 3 364.430 2.725 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000377862697 512488112 /nfs/dbraw/zinc/48/81/12/512488112.db2.gz ZRJIGSOQBKZJRX-ZTFGCOKTSA-N -1 3 357.454 2.528 20 30 FFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000398083832 512953617 /nfs/dbraw/zinc/95/36/17/512953617.db2.gz LCZNCHBLRGNBRN-ZFWWWQNUSA-N -1 3 361.492 2.561 20 30 FFEDHM C=CCc1cc(CNC[C@H](Oc2ccccc2)C(=O)[O-])cc(OC)c1O ZINC000417638523 513129741 /nfs/dbraw/zinc/12/97/41/513129741.db2.gz JYRGTNWPPKETGN-SFHVURJKSA-N -1 3 357.406 2.751 20 30 FFEDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433880775 513176984 /nfs/dbraw/zinc/17/69/84/513176984.db2.gz CDUPVUNURYIRLE-SSDOTTSWSA-N -1 3 371.178 2.940 20 30 FFEDHM C=CCN(CCC#N)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000428843310 513207923 /nfs/dbraw/zinc/20/79/23/513207923.db2.gz SSJIXBRFMCSVMN-LBPRGKRZSA-N -1 3 374.466 2.932 20 30 FFEDHM N#Cc1cc(Cl)ccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000440656248 513372477 /nfs/dbraw/zinc/37/24/77/513372477.db2.gz RXIRENSGHUZOBV-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)CCCCC1 ZINC000425195728 513446498 /nfs/dbraw/zinc/44/64/98/513446498.db2.gz RKNDGJQXSFTUTA-UHFFFAOYSA-N -1 3 362.442 2.774 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)c1 ZINC000425194672 513446706 /nfs/dbraw/zinc/44/67/06/513446706.db2.gz OVZJZYHEHGNGSO-UHFFFAOYSA-N -1 3 374.384 2.511 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000435428367 513580797 /nfs/dbraw/zinc/58/07/97/513580797.db2.gz QICGXVKIKNOBOV-SFHVURJKSA-N -1 3 358.463 2.732 20 30 FFEDHM CCOC(=O)CC1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1 ZINC000435445191 513592376 /nfs/dbraw/zinc/59/23/76/513592376.db2.gz DANIGRRYPWRVBF-UHFFFAOYSA-N -1 3 370.496 2.802 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000435596194 513630222 /nfs/dbraw/zinc/63/02/22/513630222.db2.gz XGQQKOIBJWTAOS-WFASDCNBSA-N -1 3 374.384 2.837 20 30 FFEDHM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3cc(C#N)ccn3)no2)c1 ZINC000436013326 513735899 /nfs/dbraw/zinc/73/58/99/513735899.db2.gz BMVVXKPFJYMDGE-UHFFFAOYSA-N -1 3 362.345 2.975 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(Cl)c(N3CCNC3=O)c2)nc(C)n1 ZINC000442644342 513751191 /nfs/dbraw/zinc/75/11/91/513751191.db2.gz HEAFILBAQUAMQG-CYBMUJFWSA-N -1 3 369.812 2.767 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCCO1 ZINC000416444253 513774517 /nfs/dbraw/zinc/77/45/17/513774517.db2.gz XQOGFOJKAQZLLP-CHWSQXEVSA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)cc1Br ZINC000416600427 513859716 /nfs/dbraw/zinc/85/97/16/513859716.db2.gz XWPQVKZOXXTAJD-CHWSQXEVSA-N -1 3 361.236 2.880 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCC[C@H](C)C1 ZINC000443108140 513874180 /nfs/dbraw/zinc/87/41/80/513874180.db2.gz MDFZFJKZKFGBKM-QWHCGFSZSA-N -1 3 355.891 2.610 20 30 FFEDHM COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c([O-])c1 ZINC000436556790 513896716 /nfs/dbraw/zinc/89/67/16/513896716.db2.gz LUMVROUMDVGRPV-AWEZNQCLSA-N -1 3 369.396 2.810 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C1CC1 ZINC000431587241 513936515 /nfs/dbraw/zinc/93/65/15/513936515.db2.gz VUHMIAGACVGJAK-INIZCTEOSA-N -1 3 371.418 2.939 20 30 FFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C12CCCC2 ZINC000443334343 513939283 /nfs/dbraw/zinc/93/92/83/513939283.db2.gz LXFDQLYETIRKOV-JKSUJKDBSA-N -1 3 352.431 2.713 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1noc(Cc2ccccc2)n1 ZINC000431926100 514041761 /nfs/dbraw/zinc/04/17/61/514041761.db2.gz OMKSDKNSKYJHAP-CYBMUJFWSA-N -1 3 368.418 2.572 20 30 FFEDHM COc1cc([C@H](C#N)NC(=O)c2ccc([O-])c(C)c2)cc(OC)c1OC ZINC000436940628 514044101 /nfs/dbraw/zinc/04/41/01/514044101.db2.gz XBPBEEBSRQXLNK-AWEZNQCLSA-N -1 3 356.378 2.721 20 30 FFEDHM COc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c([O-])c1 ZINC000437001208 514071122 /nfs/dbraw/zinc/07/11/22/514071122.db2.gz KHGCNTRHPMIXOK-UHFFFAOYSA-N -1 3 371.824 2.888 20 30 FFEDHM C=CCC1(C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CCCC1 ZINC000451950650 514089071 /nfs/dbraw/zinc/08/90/71/514089071.db2.gz IFALZRUJVFRVFS-UHFFFAOYSA-N -1 3 356.513 2.799 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000452028941 514144918 /nfs/dbraw/zinc/14/49/18/514144918.db2.gz IELSPYZFSIKOCL-JTQLQIEISA-N -1 3 368.680 2.708 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1F ZINC000427287437 514171839 /nfs/dbraw/zinc/17/18/39/514171839.db2.gz GGOCGBWSOICOIJ-UHFFFAOYSA-N -1 3 370.308 2.563 20 30 FFEDHM N#Cc1ccccc1Cn1cccc1CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000428348355 514453441 /nfs/dbraw/zinc/45/34/41/514453441.db2.gz JQNYDISOGFERHZ-UHFFFAOYSA-N -1 3 356.385 2.904 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1OC(F)F ZINC000428371777 514458581 /nfs/dbraw/zinc/45/85/81/514458581.db2.gz YCMKPYWZEHDNKG-UHFFFAOYSA-N -1 3 373.768 2.687 20 30 FFEDHM CCOC(=O)CC1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCC1 ZINC000433467702 514500301 /nfs/dbraw/zinc/50/03/01/514500301.db2.gz GRPZWILMNIKQAM-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1)OC ZINC000421149042 514504907 /nfs/dbraw/zinc/50/49/07/514504907.db2.gz FKENODJQYYYRRG-LBPRGKRZSA-N -1 3 366.361 2.666 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000470830362 514632157 /nfs/dbraw/zinc/63/21/57/514632157.db2.gz IDDPVVAZDDQFEP-INIZCTEOSA-N -1 3 374.466 2.538 20 30 FFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000508115895 514674733 /nfs/dbraw/zinc/67/47/33/514674733.db2.gz JUBHBMXKDFCPOF-AWEZNQCLSA-N -1 3 357.457 2.525 20 30 FFEDHM C=C[C@@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000461634930 514677936 /nfs/dbraw/zinc/67/79/36/514677936.db2.gz ZBOCUJHSFQIXQA-ZDUSSCGKSA-N -1 3 351.406 2.881 20 30 FFEDHM COC[C@](C)([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000479901824 514768534 /nfs/dbraw/zinc/76/85/34/514768534.db2.gz JZGBWKAKKGCOMJ-QMMMGPOBSA-N -1 3 361.229 2.674 20 30 FFEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccccc2CC#N)cc1OC ZINC000475805280 514817881 /nfs/dbraw/zinc/81/78/81/514817881.db2.gz DZLKVLAQSMZRND-UHFFFAOYSA-N -1 3 350.371 2.710 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000475812864 514820294 /nfs/dbraw/zinc/82/02/94/514820294.db2.gz PZWRPOAOALHNHX-UHFFFAOYSA-N -1 3 359.382 2.577 20 30 FFEDHM COc1cccc(Cl)c1-c1noc(C)c1C(=O)[N-]c1n[nH]c(C)c1C#N ZINC000508754572 514884909 /nfs/dbraw/zinc/88/49/09/514884909.db2.gz NHVAWAOBVWVCBZ-UHFFFAOYSA-N -1 3 371.784 2.889 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCC(C)(C)O)cc1 ZINC000485262029 514978342 /nfs/dbraw/zinc/97/83/42/514978342.db2.gz AOLAFPXUTXJPDW-UHFFFAOYSA-N -1 3 360.435 2.817 20 30 FFEDHM C=CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000480546787 514994883 /nfs/dbraw/zinc/99/48/83/514994883.db2.gz CAWASUKMWVAURX-UHFFFAOYSA-N -1 3 350.362 2.822 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1cccc(Cl)c1 ZINC000489840225 514995371 /nfs/dbraw/zinc/99/53/71/514995371.db2.gz JFBRHTQMRVLAGU-INIZCTEOSA-N -1 3 365.842 2.581 20 30 FFEDHM COCCCC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000480627183 515024081 /nfs/dbraw/zinc/02/40/81/515024081.db2.gz SCGXHXFMQCCYFJ-INIZCTEOSA-N -1 3 359.451 2.790 20 30 FFEDHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000509103590 515024569 /nfs/dbraw/zinc/02/45/69/515024569.db2.gz OXKDVMPHOHAKNS-ZDUSSCGKSA-N -1 3 373.434 2.587 20 30 FFEDHM Cc1sc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c(C#N)c1C ZINC000498697763 515029372 /nfs/dbraw/zinc/02/93/72/515029372.db2.gz AHKRTDSSUYRGTE-UHFFFAOYSA-N -1 3 368.418 2.681 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1OC ZINC000498758977 515058314 /nfs/dbraw/zinc/05/83/14/515058314.db2.gz NIMIXOAJJRJJEZ-UHFFFAOYSA-N -1 3 373.434 2.510 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472150243 515146516 /nfs/dbraw/zinc/14/65/16/515146516.db2.gz FCPNUKYOUXHXGG-SECBINFHSA-N -1 3 350.362 2.771 20 30 FFEDHM N#Cc1ccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c(Cl)c1 ZINC000480980070 515158524 /nfs/dbraw/zinc/15/85/24/515158524.db2.gz NLPLAYWIVLENPR-UHFFFAOYSA-N -1 3 372.812 2.859 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c(F)c1 ZINC000481060616 515191213 /nfs/dbraw/zinc/19/12/13/515191213.db2.gz NOWQWEDSVPKCMX-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccnc2c1nnn2C ZINC000509479783 515197313 /nfs/dbraw/zinc/19/73/13/515197313.db2.gz NYTXPCMCVBHMMP-LLVKDONJSA-N -1 3 352.423 2.867 20 30 FFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000509607851 515256470 /nfs/dbraw/zinc/25/64/70/515256470.db2.gz YZNSLTVYJQNFNW-UHFFFAOYSA-N -1 3 366.370 2.777 20 30 FFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000472713883 515373229 /nfs/dbraw/zinc/37/32/29/515373229.db2.gz RIGZBDSBAAYODI-UHFFFAOYSA-N -1 3 363.233 2.992 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481568433 515385363 /nfs/dbraw/zinc/38/53/63/515385363.db2.gz LOWXMWFMXLIEJK-UHFFFAOYSA-N -1 3 365.817 2.912 20 30 FFEDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000486598855 515554238 /nfs/dbraw/zinc/55/42/38/515554238.db2.gz FIZNTOVSUIKJSL-UWVGGRQHSA-N -1 3 367.862 2.883 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000510778104 515665164 /nfs/dbraw/zinc/66/51/64/515665164.db2.gz DOIAMGTUGUIBSM-LLVKDONJSA-N -1 3 361.398 2.560 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)c3ncc(C#N)cc3Cl)[n-]c21 ZINC000494090179 515729807 /nfs/dbraw/zinc/72/98/07/515729807.db2.gz WPWPEUYNXLOZBY-UHFFFAOYSA-N -1 3 355.741 2.522 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ncc(C#N)cc3Cl)nc21 ZINC000494090179 515729811 /nfs/dbraw/zinc/72/98/11/515729811.db2.gz WPWPEUYNXLOZBY-UHFFFAOYSA-N -1 3 355.741 2.522 20 30 FFEDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000464360142 515795179 /nfs/dbraw/zinc/79/51/79/515795179.db2.gz BJQVYTNKCNTNLW-SSDOTTSWSA-N -1 3 371.178 2.940 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000487491326 515877006 /nfs/dbraw/zinc/87/70/06/515877006.db2.gz ZXIFEBUOKILSLP-ZDUSSCGKSA-N -1 3 368.437 2.575 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC2CCOCC2)c(C(F)(F)F)c1 ZINC000512208791 516198942 /nfs/dbraw/zinc/19/89/42/516198942.db2.gz HRIXDWJNBMESSZ-UHFFFAOYSA-N -1 3 362.373 2.672 20 30 FFEDHM N#Cc1ccc(O[C@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)nc1 ZINC000561102768 516380738 /nfs/dbraw/zinc/38/07/38/516380738.db2.gz YJOCVRUZDBYHMN-INIZCTEOSA-N -1 3 369.396 2.801 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528366596 516383730 /nfs/dbraw/zinc/38/37/30/516383730.db2.gz OYQFUUWYAIQQAJ-VIFPVBQESA-N -1 3 352.334 2.564 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000523529231 516496202 /nfs/dbraw/zinc/49/62/02/516496202.db2.gz JBJSGKCBGDJIMT-OKILXGFUSA-N -1 3 351.472 2.980 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)Cc2c(F)cccc2C#N)c1 ZINC000513329672 516572909 /nfs/dbraw/zinc/57/29/09/516572909.db2.gz PEXBEDGNZWHUSJ-UHFFFAOYSA-N -1 3 361.398 2.559 20 30 FFEDHM COC1(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000559105933 517085580 /nfs/dbraw/zinc/08/55/80/517085580.db2.gz PIAQRXCJBOYMIZ-UHFFFAOYSA-N -1 3 373.272 2.558 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000559638479 517356479 /nfs/dbraw/zinc/35/64/79/517356479.db2.gz ABWWXSZIQLKUKB-UHFFFAOYSA-N -1 3 351.225 2.799 20 30 FFEDHM N#Cc1ccc(C2(NC(=O)Cc3ccc([O-])c(F)c3)CCOCC2)cc1 ZINC000530059708 517531440 /nfs/dbraw/zinc/53/14/40/517531440.db2.gz NZYCNKTZWSYXCL-UHFFFAOYSA-N -1 3 354.381 2.768 20 30 FFEDHM COc1cccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1[O-] ZINC000530062347 517534243 /nfs/dbraw/zinc/53/42/43/517534243.db2.gz NSYXVBFYOXKQKL-UHFFFAOYSA-N -1 3 352.390 2.708 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)c2=O ZINC000538323630 517565007 /nfs/dbraw/zinc/56/50/07/517565007.db2.gz QEVBESIDHQBLRK-NSPYISDASA-N -1 3 357.385 2.878 20 30 FFEDHM C=CCOc1ccccc1C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000516108664 517569071 /nfs/dbraw/zinc/56/90/71/517569071.db2.gz LTIFQDGOVVDFDT-FQEVSTJZSA-N -1 3 365.389 2.558 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)c1C#N ZINC000527526886 517731675 /nfs/dbraw/zinc/73/16/75/517731675.db2.gz PRHGQJLQVMFISB-UHFFFAOYSA-N -1 3 374.426 2.827 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000542930977 517822437 /nfs/dbraw/zinc/82/24/37/517822437.db2.gz YHZFTKBXKMVKGD-UHFFFAOYSA-N -1 3 356.419 2.753 20 30 FFEDHM Cn1[n-]c(=NC(=O)c2c(F)cc(C(F)(F)F)cc2F)cc1OC(F)F ZINC000575844205 518305583 /nfs/dbraw/zinc/30/55/83/518305583.db2.gz QXQDZEJBFWAAEL-UHFFFAOYSA-N -1 3 371.212 2.993 20 30 FFEDHM COC1(C[N-]S(=O)(=O)CC2(C#N)CC2)CCC(c2ccccc2)CC1 ZINC000584737492 518454115 /nfs/dbraw/zinc/45/41/15/518454115.db2.gz QGWJTGCYKRHGRD-UHFFFAOYSA-N -1 3 362.495 2.953 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cncc(C#N)c2)c2ccc(F)cc2O1 ZINC000573022826 518469637 /nfs/dbraw/zinc/46/96/37/518469637.db2.gz YHIPINCXJXCHES-OAHLLOKOSA-N -1 3 361.398 2.673 20 30 FFEDHM N#CCCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000573514567 518701722 /nfs/dbraw/zinc/70/17/22/518701722.db2.gz VNLWYBLPZAPHLZ-UHFFFAOYSA-N -1 3 354.229 2.579 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000564971914 518721611 /nfs/dbraw/zinc/72/16/11/518721611.db2.gz DJZLVYNCLFKBSS-KBPBESRZSA-N -1 3 362.373 2.614 20 30 FFEDHM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)C2CC2)no1 ZINC000570759739 518764840 /nfs/dbraw/zinc/76/48/40/518764840.db2.gz MCPFOMDCIKBVDE-OAHLLOKOSA-N -1 3 366.830 2.507 20 30 FFEDHM C=CCNC(=O)c1ccc([N-]S(=O)(=O)CCc2cccs2)cc1 ZINC000580020715 518962954 /nfs/dbraw/zinc/96/29/54/518962954.db2.gz ZANODZNDDNKRFB-UHFFFAOYSA-N -1 3 350.465 2.648 20 30 FFEDHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000574438371 519155632 /nfs/dbraw/zinc/15/56/32/519155632.db2.gz HTNWKFNXLYYWLC-CQSZACIVSA-N -1 3 372.874 2.803 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(C(F)(F)F)ccn2)c(F)c1 ZINC000580629817 519272789 /nfs/dbraw/zinc/27/27/89/519272789.db2.gz BSGKOTINQAEKJE-UHFFFAOYSA-N -1 3 373.331 2.632 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000590739792 519341350 /nfs/dbraw/zinc/34/13/50/519341350.db2.gz ZYABLYRMQRZFSI-NSHDSACASA-N -1 3 363.252 2.946 20 30 FFEDHM CC(C)SCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000572067909 519425809 /nfs/dbraw/zinc/42/58/09/519425809.db2.gz QNJYITXCQKYGKV-UHFFFAOYSA-N -1 3 352.403 2.997 20 30 FFEDHM Cn1cc(Br)c(=NC(=O)N[C@H](CCC#N)c2ccccc2)[n-]1 ZINC000603043536 520043238 /nfs/dbraw/zinc/04/32/38/520043238.db2.gz LCYNWZRYYDOLOC-CYBMUJFWSA-N -1 3 362.231 2.771 20 30 FFEDHM N#Cc1ccc(N2CCC(C(=O)Nc3cccc4n[n-]nc43)CC2)c(F)c1 ZINC000603060894 520058568 /nfs/dbraw/zinc/05/85/68/520058568.db2.gz KUMNZACEFBCBMM-UHFFFAOYSA-N -1 3 364.384 2.824 20 30 FFEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000594721654 520112223 /nfs/dbraw/zinc/11/22/23/520112223.db2.gz VIKYYHBUYVXNBX-UHFFFAOYSA-N -1 3 359.245 2.572 20 30 FFEDHM CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000597618050 520138896 /nfs/dbraw/zinc/13/88/96/520138896.db2.gz YVWIFZQUWFNZLB-LJQANCHMSA-N -1 3 373.497 2.597 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCOC1(C)C ZINC000594777552 520152300 /nfs/dbraw/zinc/15/23/00/520152300.db2.gz VHSOWLYENIAJLY-CQSZACIVSA-N -1 3 350.465 2.927 20 30 FFEDHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594778970 520152759 /nfs/dbraw/zinc/15/27/59/520152759.db2.gz FBAKDQVNUSHZGZ-ZIAGYGMSSA-N -1 3 350.465 2.927 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000594790661 520158374 /nfs/dbraw/zinc/15/83/74/520158374.db2.gz WBLSZAUDSVBCGT-VXGBXAGGSA-N -1 3 373.496 2.957 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2ccc(C(N)=O)s2)c(C#N)c1C ZINC000609093850 520189439 /nfs/dbraw/zinc/18/94/39/520189439.db2.gz BHSGUPQYCHMXEH-UHFFFAOYSA-N -1 3 363.420 2.518 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000594865509 520197293 /nfs/dbraw/zinc/19/72/93/520197293.db2.gz UBXPPPOAJXVAJN-UHFFFAOYSA-N -1 3 368.411 2.533 20 30 FFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)cc1C ZINC000594869399 520198385 /nfs/dbraw/zinc/19/83/85/520198385.db2.gz IOQXWVKIDMQULU-UHFFFAOYSA-N -1 3 351.428 2.964 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000617035830 520295039 /nfs/dbraw/zinc/29/50/39/520295039.db2.gz SYTVQDPKZOUZPL-OFQRWUPVSA-N -1 3 368.474 2.744 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000617039472 520298069 /nfs/dbraw/zinc/29/80/69/520298069.db2.gz HSCAFAXEAIAMTK-OWDMVUQNSA-N -1 3 355.438 2.606 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1)C1CC1 ZINC000592351370 520346006 /nfs/dbraw/zinc/34/60/06/520346006.db2.gz OIAOGKRWVCKCNY-QGZVFWFLSA-N -1 3 373.434 2.912 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)cn1CC1CC1 ZINC000595328779 520411438 /nfs/dbraw/zinc/41/14/38/520411438.db2.gz ZHPQZQKROMPYHJ-QGZVFWFLSA-N -1 3 370.478 2.693 20 30 FFEDHM COC(=O)c1ccc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c(F)c1 ZINC000595352175 520423481 /nfs/dbraw/zinc/42/34/81/520423481.db2.gz ADFFVSCJMOYTPX-UHFFFAOYSA-N -1 3 368.430 2.506 20 30 FFEDHM COc1ccccc1-c1cc(C[N-]S(=O)(=O)CC(C)(C)CC#N)on1 ZINC000595404998 520450261 /nfs/dbraw/zinc/45/02/61/520450261.db2.gz QTUWIQGAZXBBDN-UHFFFAOYSA-N -1 3 363.439 2.709 20 30 FFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)s1 ZINC000613344357 520456664 /nfs/dbraw/zinc/45/66/64/520456664.db2.gz ABLVMECFSZGGJC-BONVTDFDSA-N -1 3 357.501 2.552 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2)c(F)c1 ZINC000610083579 520533211 /nfs/dbraw/zinc/53/32/11/520533211.db2.gz AGYMGMYECIRGJO-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000610083887 520533896 /nfs/dbraw/zinc/53/38/96/520533896.db2.gz PWSMIYOLTJIRFE-UHFFFAOYSA-N -1 3 362.426 2.962 20 30 FFEDHM Cc1nc([N-]C(=O)COc2ccc(C)cc2C)n(-c2ccc(C#N)cc2)n1 ZINC000610110303 520544975 /nfs/dbraw/zinc/54/49/75/520544975.db2.gz UNPCBMGHOICRQJ-UHFFFAOYSA-N -1 3 361.405 2.504 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccccc1F ZINC000604468854 520570124 /nfs/dbraw/zinc/57/01/24/520570124.db2.gz RMKYOKRZOCLZJY-UHFFFAOYSA-N -1 3 357.385 2.543 20 30 FFEDHM N#CC[C@]1(O)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000592847058 520615226 /nfs/dbraw/zinc/61/52/26/520615226.db2.gz IHUNHVDFVWUEHH-NRFANRHFSA-N -1 3 350.418 2.668 20 30 FFEDHM COc1ccccc1[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)N1CCCC1 ZINC000614293265 520894426 /nfs/dbraw/zinc/89/44/26/520894426.db2.gz GJQCMXZNVIEGLD-LJQANCHMSA-N -1 3 365.433 2.839 20 30 FFEDHM CCc1ncsc1C(=O)[N-]c1sc2c(c1C#N)CCN(C(C)=O)C2 ZINC000598889351 520903011 /nfs/dbraw/zinc/90/30/11/520903011.db2.gz TXUZJYIKEYTOBU-UHFFFAOYSA-N -1 3 360.464 2.796 20 30 FFEDHM CCCc1cc(C(=O)[N-]c2sc3c(c2C#N)CCN(C(C)=O)C3)no1 ZINC000598891931 520905527 /nfs/dbraw/zinc/90/55/27/520905527.db2.gz WJXAWWJVQRTKDO-UHFFFAOYSA-N -1 3 358.423 2.717 20 30 FFEDHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000611017941 520949589 /nfs/dbraw/zinc/94/95/89/520949589.db2.gz KJGYKCNRXUOTNU-UHFFFAOYSA-N -1 3 362.426 2.962 20 30 FFEDHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611021797 520950124 /nfs/dbraw/zinc/95/01/24/520950124.db2.gz HRCIROUPKBMOOC-BLLLJJGKSA-N -1 3 364.854 2.655 20 30 FFEDHM CCN(Cc1c([O-])c(C)ncc1CO)c1nc(C(F)(F)F)ccc1C#N ZINC000599091057 521028720 /nfs/dbraw/zinc/02/87/20/521028720.db2.gz OBAIKMFMCBDRFY-UHFFFAOYSA-N -1 3 366.343 2.900 20 30 FFEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccco1 ZINC000593535700 521058760 /nfs/dbraw/zinc/05/87/60/521058760.db2.gz DIGVSAJNNURJJE-GFCCVEGCSA-N -1 3 353.469 2.574 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000618715939 521196805 /nfs/dbraw/zinc/19/68/05/521196805.db2.gz LDNIIVFNHUXCCE-ZDUSSCGKSA-N -1 3 352.337 2.941 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)cc1C#N ZINC000599416549 521207408 /nfs/dbraw/zinc/20/74/08/521207408.db2.gz FADMOVJHESMZCA-MRXNPFEDSA-N -1 3 365.405 2.807 20 30 FFEDHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000599445057 521230169 /nfs/dbraw/zinc/23/01/69/521230169.db2.gz JTOJQRIXNCSRGC-UHFFFAOYSA-N -1 3 374.409 2.695 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000611619482 521252576 /nfs/dbraw/zinc/25/25/76/521252576.db2.gz CJWFWOVCESZPJW-UHFFFAOYSA-N -1 3 351.653 2.931 20 30 FFEDHM C=CCC1(C(=O)N=c2[n-]n(C)cc2I)CCCCC1 ZINC000602391575 521316787 /nfs/dbraw/zinc/31/67/87/521316787.db2.gz UYIHSURFYWOQQS-UHFFFAOYSA-N -1 3 373.238 2.912 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000472967025 561039011 /nfs/dbraw/zinc/03/90/11/561039011.db2.gz BPOSMDRAGWAUSO-INIZCTEOSA-N -1 3 370.409 2.793 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737719387 598914196 /nfs/dbraw/zinc/91/41/96/598914196.db2.gz PTOQABJIEQCPEM-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737719387 598914198 /nfs/dbraw/zinc/91/41/98/598914198.db2.gz PTOQABJIEQCPEM-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM Cc1nc2ccccc2cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737489286 598918494 /nfs/dbraw/zinc/91/84/94/598918494.db2.gz HNTJBKCFMBSSJE-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1nc2ccccc2cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737489286 598918496 /nfs/dbraw/zinc/91/84/96/598918496.db2.gz HNTJBKCFMBSSJE-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1cccc(C)c1OCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737388058 598921263 /nfs/dbraw/zinc/92/12/63/598921263.db2.gz AIWFJSIWQDKDKO-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1cccc(C)c1OCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737388058 598921264 /nfs/dbraw/zinc/92/12/64/598921264.db2.gz AIWFJSIWQDKDKO-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716131 598925565 /nfs/dbraw/zinc/92/55/65/598925565.db2.gz LLSMYOMVSUEVHX-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716131 598925566 /nfs/dbraw/zinc/92/55/66/598925566.db2.gz LLSMYOMVSUEVHX-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1F ZINC000735581230 598929527 /nfs/dbraw/zinc/92/95/27/598929527.db2.gz QTCYAFMIXVIUQO-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1F ZINC000735581230 598929529 /nfs/dbraw/zinc/92/95/29/598929529.db2.gz QTCYAFMIXVIUQO-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM N#Cc1cc(NC(=O)CCCOc2ccccc2F)ccc1-c1nnn[n-]1 ZINC000737704535 598928448 /nfs/dbraw/zinc/92/84/48/598928448.db2.gz JTKFTUCIKHUIOF-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM N#Cc1cc(NC(=O)CCCOc2ccccc2F)ccc1-c1nn[n-]n1 ZINC000737704535 598928449 /nfs/dbraw/zinc/92/84/49/598928449.db2.gz JTKFTUCIKHUIOF-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737719417 598928665 /nfs/dbraw/zinc/92/86/65/598928665.db2.gz PZMLIKRWWPWZQP-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737719417 598928666 /nfs/dbraw/zinc/92/86/66/598928666.db2.gz PZMLIKRWWPWZQP-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)nc3)c2-c2nnn[n-]2)C1 ZINC000736278551 598979678 /nfs/dbraw/zinc/97/96/78/598979678.db2.gz GYRUXDJYMPBYAM-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)nc3)c2-c2nn[n-]n2)C1 ZINC000736278551 598979680 /nfs/dbraw/zinc/97/96/80/598979680.db2.gz GYRUXDJYMPBYAM-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM C#CC(C)(C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735375965 599032494 /nfs/dbraw/zinc/03/24/94/599032494.db2.gz UYOKNPKXQNTPCO-UHFFFAOYSA-N -1 3 361.405 2.587 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc(C#N)c1 ZINC000736193938 599063071 /nfs/dbraw/zinc/06/30/71/599063071.db2.gz VBGOMTKDCHSPGJ-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc(C#N)c1 ZINC000736193938 599063075 /nfs/dbraw/zinc/06/30/75/599063075.db2.gz VBGOMTKDCHSPGJ-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC000737704530 599194180 /nfs/dbraw/zinc/19/41/80/599194180.db2.gz JRVJFEFCAQVTSY-ZFWWWQNUSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC000737704530 599194182 /nfs/dbraw/zinc/19/41/82/599194182.db2.gz JRVJFEFCAQVTSY-ZFWWWQNUSA-N -1 3 366.331 2.759 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353350 599261778 /nfs/dbraw/zinc/26/17/78/599261778.db2.gz ZAERWEFFMMXGMC-QWHCGFSZSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353350 599261781 /nfs/dbraw/zinc/26/17/81/599261781.db2.gz ZAERWEFFMMXGMC-QWHCGFSZSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820353348 599261908 /nfs/dbraw/zinc/26/19/08/599261908.db2.gz ZAERWEFFMMXGMC-CHWSQXEVSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820353348 599261909 /nfs/dbraw/zinc/26/19/09/599261909.db2.gz ZAERWEFFMMXGMC-CHWSQXEVSA-N -1 3 361.409 2.860 20 30 FFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cn(C)nc1C ZINC000735451081 598313590 /nfs/dbraw/zinc/31/35/90/598313590.db2.gz OIIIEXNQHRFWGK-UHFFFAOYSA-N -1 3 364.335 2.764 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cn(C)nc1C ZINC000735451081 598313592 /nfs/dbraw/zinc/31/35/92/598313592.db2.gz OIIIEXNQHRFWGK-UHFFFAOYSA-N -1 3 364.335 2.764 20 30 FFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735391369 598438714 /nfs/dbraw/zinc/43/87/14/598438714.db2.gz QYXBTVWDHJHFCW-UHFFFAOYSA-N -1 3 361.434 2.559 20 30 FFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735391369 598438715 /nfs/dbraw/zinc/43/87/15/598438715.db2.gz QYXBTVWDHJHFCW-UHFFFAOYSA-N -1 3 361.434 2.559 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000736675305 598515920 /nfs/dbraw/zinc/51/59/20/598515920.db2.gz JUZZSWYAGDCUST-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000736675305 598515922 /nfs/dbraw/zinc/51/59/22/598515922.db2.gz JUZZSWYAGDCUST-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1Cl ZINC000737673735 598536513 /nfs/dbraw/zinc/53/65/13/598536513.db2.gz DFAJXCYTDFTCSM-GFCCVEGCSA-N -1 3 374.191 2.563 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1Cl ZINC000737673735 598536514 /nfs/dbraw/zinc/53/65/14/598536514.db2.gz DFAJXCYTDFTCSM-GFCCVEGCSA-N -1 3 374.191 2.563 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000735436966 598597342 /nfs/dbraw/zinc/59/73/42/598597342.db2.gz ASVKPVDBXLYSHQ-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000735436966 598597344 /nfs/dbraw/zinc/59/73/44/598597344.db2.gz ASVKPVDBXLYSHQ-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM COC(=O)c1ccc2[nH]cc(C=NNc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000736949941 598639039 /nfs/dbraw/zinc/63/90/39/598639039.db2.gz WHBGKMIBWOYJJY-UHFFFAOYSA-N -1 3 361.365 2.581 20 30 FFEDHM C#Cc1ccc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OCC)nc1 ZINC000735390468 598734315 /nfs/dbraw/zinc/73/43/15/598734315.db2.gz ZVPKUIGVQVZIKH-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM C#Cc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OCC)nc1 ZINC000735390468 598734317 /nfs/dbraw/zinc/73/43/17/598734317.db2.gz ZVPKUIGVQVZIKH-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156771 598735382 /nfs/dbraw/zinc/73/53/82/598735382.db2.gz WVHISUFBDMBGRQ-CYBMUJFWSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@@H](OC(=O)Cc1ccc(OCC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156771 598735383 /nfs/dbraw/zinc/73/53/83/598735383.db2.gz WVHISUFBDMBGRQ-CYBMUJFWSA-N -1 3 363.377 2.616 20 30 FFEDHM N#Cc1c(F)cccc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737706702 598798195 /nfs/dbraw/zinc/79/81/95/598798195.db2.gz YGRLGWFIWLHTOF-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM N#Cc1c(F)cccc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737706702 598798196 /nfs/dbraw/zinc/79/81/96/598798196.db2.gz YGRLGWFIWLHTOF-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc3ccccc3n2)nc1N ZINC000737706766 599368837 /nfs/dbraw/zinc/36/88/37/599368837.db2.gz YWXDEPLWPJVUAS-UHFFFAOYSA-N -1 3 360.406 2.556 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc3ccccc3n2)nc1N ZINC000737706766 599368838 /nfs/dbraw/zinc/36/88/38/599368838.db2.gz YWXDEPLWPJVUAS-UHFFFAOYSA-N -1 3 360.406 2.556 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820348336 599475606 /nfs/dbraw/zinc/47/56/06/599475606.db2.gz BLCDKDUGRKKYIY-OLZOCXBDSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820348336 599475608 /nfs/dbraw/zinc/47/56/08/599475608.db2.gz BLCDKDUGRKKYIY-OLZOCXBDSA-N -1 3 361.409 2.860 20 30 FFEDHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@H](C)C#N ZINC000737278950 599495453 /nfs/dbraw/zinc/49/54/53/599495453.db2.gz GNDXNLSDJJHVMR-CYBMUJFWSA-N -1 3 362.393 2.852 20 30 FFEDHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@H](C)C#N ZINC000737278950 599495455 /nfs/dbraw/zinc/49/54/55/599495455.db2.gz GNDXNLSDJJHVMR-CYBMUJFWSA-N -1 3 362.393 2.852 20 30 FFEDHM N#Cc1ccc(NCCNc2ccc(-c3nnn[n-]3)cn2)c(C(F)(F)F)c1 ZINC000737717883 599522165 /nfs/dbraw/zinc/52/21/65/599522165.db2.gz BWOYVIGJXGORNR-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1ccc(NCCNc2ccc(-c3nn[n-]n3)cn2)c(C(F)(F)F)c1 ZINC000737717883 599522167 /nfs/dbraw/zinc/52/21/67/599522167.db2.gz BWOYVIGJXGORNR-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820391425 599537236 /nfs/dbraw/zinc/53/72/36/599537236.db2.gz PRTVXXZSXOBPGS-ZDUSSCGKSA-N -1 3 371.404 2.836 20 30 FFEDHM C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820391425 599537238 /nfs/dbraw/zinc/53/72/38/599537238.db2.gz PRTVXXZSXOBPGS-ZDUSSCGKSA-N -1 3 371.404 2.836 20 30 FFEDHM C=CCOCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000819750272 599629105 /nfs/dbraw/zinc/62/91/05/599629105.db2.gz BXNVVYKTNRCIQJ-UHFFFAOYSA-N -1 3 367.409 2.976 20 30 FFEDHM C=CCOCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000819750272 599629106 /nfs/dbraw/zinc/62/91/06/599629106.db2.gz BXNVVYKTNRCIQJ-UHFFFAOYSA-N -1 3 367.409 2.976 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1-c1nnn[n-]1 ZINC000822829738 599631484 /nfs/dbraw/zinc/63/14/84/599631484.db2.gz GXSDSZJMGIUVGC-NQIIRXRSSA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1-c1nn[n-]n1 ZINC000822829738 599631485 /nfs/dbraw/zinc/63/14/85/599631485.db2.gz GXSDSZJMGIUVGC-NQIIRXRSSA-N -1 3 370.416 2.971 20 30 FFEDHM C#CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000819697977 599680761 /nfs/dbraw/zinc/68/07/61/599680761.db2.gz PLCKDSDEMRCQOY-AWEZNQCLSA-N -1 3 352.442 2.905 20 30 FFEDHM C#CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000819697977 599680762 /nfs/dbraw/zinc/68/07/62/599680762.db2.gz PLCKDSDEMRCQOY-AWEZNQCLSA-N -1 3 352.442 2.905 20 30 FFEDHM CCOc1c(OC)cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737179992 600596538 /nfs/dbraw/zinc/59/65/38/600596538.db2.gz ZRSDABJPUICEAQ-GOSISDBHSA-N -1 3 370.405 2.890 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823851035 607489638 /nfs/dbraw/zinc/48/96/38/607489638.db2.gz XSRGKJXCSHHCRI-UHFFFAOYSA-N -1 3 351.385 2.650 20 30 FFEDHM CCOc1c(OC)cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000830026724 601302901 /nfs/dbraw/zinc/30/29/01/601302901.db2.gz ASCKNLYESZGZCO-SFHVURJKSA-N -1 3 370.405 2.890 20 30 FFEDHM CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl)NC(=O)[O-] ZINC000738738805 602925331 /nfs/dbraw/zinc/92/53/31/602925331.db2.gz KTNKOVFZRPUPAS-SNVBAGLBSA-N -1 3 351.790 2.814 20 30 FFEDHM C[C@@H](NCC1(NC(=O)[O-])CCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000825484039 603640957 /nfs/dbraw/zinc/64/09/57/603640957.db2.gz DFOXZIYWFAYVRK-MRXNPFEDSA-N -1 3 372.469 2.882 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000827590149 604220974 /nfs/dbraw/zinc/22/09/74/604220974.db2.gz XVSWRVGLXWTVNX-VNQPRFMTSA-N -1 3 357.410 2.723 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)OCC ZINC000833367678 604566053 /nfs/dbraw/zinc/56/60/53/604566053.db2.gz QTJHBJHBSMBZDN-WIYYLYMNSA-N -1 3 374.481 2.593 20 30 FFEDHM C#CC[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819688421 606181071 /nfs/dbraw/zinc/18/10/71/606181071.db2.gz IWUQKEGDPAHIOF-KRWDZBQOSA-N -1 3 354.410 2.761 20 30 FFEDHM C#CC[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819688421 606181072 /nfs/dbraw/zinc/18/10/72/606181072.db2.gz IWUQKEGDPAHIOF-KRWDZBQOSA-N -1 3 354.410 2.761 20 30 FFEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c1 ZINC000822819554 606268477 /nfs/dbraw/zinc/26/84/77/606268477.db2.gz VONAGKGBIRBJGX-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1 ZINC000822819554 606268478 /nfs/dbraw/zinc/26/84/78/606268478.db2.gz VONAGKGBIRBJGX-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821693895 606305451 /nfs/dbraw/zinc/30/54/51/606305451.db2.gz SJDDXVHDMGZKTH-AATRIKPKSA-N -1 3 374.397 2.989 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821693895 606305452 /nfs/dbraw/zinc/30/54/52/606305452.db2.gz SJDDXVHDMGZKTH-AATRIKPKSA-N -1 3 374.397 2.989 20 30 FFEDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000820555198 606326880 /nfs/dbraw/zinc/32/68/80/606326880.db2.gz HELZEAFUSLOIPB-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000820555198 606326881 /nfs/dbraw/zinc/32/68/81/606326881.db2.gz HELZEAFUSLOIPB-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820549210 606352961 /nfs/dbraw/zinc/35/29/61/606352961.db2.gz LAUSHFHCQKMVQQ-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820549210 606352962 /nfs/dbraw/zinc/35/29/62/606352962.db2.gz LAUSHFHCQKMVQQ-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(N2CCOC2=O)c1 ZINC000822924267 606391371 /nfs/dbraw/zinc/39/13/71/606391371.db2.gz ZRECKUAUBQXQFF-GQCTYLIASA-N -1 3 367.390 2.781 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822801397 606447474 /nfs/dbraw/zinc/44/74/74/606447474.db2.gz IPVKWNKTOQWMAX-MSOLQXFVSA-N -1 3 358.405 2.779 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822801397 606447476 /nfs/dbraw/zinc/44/74/76/606447476.db2.gz IPVKWNKTOQWMAX-MSOLQXFVSA-N -1 3 358.405 2.779 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000822221271 606703334 /nfs/dbraw/zinc/70/33/34/606703334.db2.gz IERUDUFMZDOGIG-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000822221271 606703335 /nfs/dbraw/zinc/70/33/35/606703335.db2.gz IERUDUFMZDOGIG-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM C#CCN(CC#C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819697883 606795565 /nfs/dbraw/zinc/79/55/65/606795565.db2.gz NDIRAWCYCFGVMK-UHFFFAOYSA-N -1 3 371.400 2.676 20 30 FFEDHM C#CCN(CC#C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819697883 606795567 /nfs/dbraw/zinc/79/55/67/606795567.db2.gz NDIRAWCYCFGVMK-UHFFFAOYSA-N -1 3 371.400 2.676 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000820577655 607023199 /nfs/dbraw/zinc/02/31/99/607023199.db2.gz SUUMUMPOCIODIK-RMKNXTFCSA-N -1 3 359.389 2.993 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000820577655 607023200 /nfs/dbraw/zinc/02/32/00/607023200.db2.gz SUUMUMPOCIODIK-RMKNXTFCSA-N -1 3 359.389 2.993 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1-c1nnn[n-]1 ZINC000824034081 607835480 /nfs/dbraw/zinc/83/54/80/607835480.db2.gz GYJHNUSMIIRGEQ-GFCCVEGCSA-N -1 3 369.429 2.810 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1-c1nn[n-]n1 ZINC000824034081 607835481 /nfs/dbraw/zinc/83/54/81/607835481.db2.gz GYJHNUSMIIRGEQ-GFCCVEGCSA-N -1 3 369.429 2.810 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000826402091 607884964 /nfs/dbraw/zinc/88/49/64/607884964.db2.gz MQQLSLNJMYFWRL-YFHOEESVSA-N -1 3 361.361 2.719 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCOC2=O)cc1 ZINC000826402091 607884965 /nfs/dbraw/zinc/88/49/65/607884965.db2.gz MQQLSLNJMYFWRL-YFHOEESVSA-N -1 3 361.361 2.719 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@H](CN=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824103530 607886048 /nfs/dbraw/zinc/88/60/48/607886048.db2.gz DLOCGQOHBRSSQY-CYBMUJFWSA-N -1 3 371.445 2.912 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@H](CN=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824103530 607886049 /nfs/dbraw/zinc/88/60/49/607886049.db2.gz DLOCGQOHBRSSQY-CYBMUJFWSA-N -1 3 371.445 2.912 20 30 FFEDHM C#CCOCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823855881 607894563 /nfs/dbraw/zinc/89/45/63/607894563.db2.gz CIFCOLYCGKGOKV-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM C#CCOCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823855881 607894564 /nfs/dbraw/zinc/89/45/64/607894564.db2.gz CIFCOLYCGKGOKV-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(Br)s1 ZINC000826399699 607930533 /nfs/dbraw/zinc/93/05/33/607930533.db2.gz COXSSCBYVQJLRT-ZZXKWVIFSA-N -1 3 362.212 2.982 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(Br)s1 ZINC000826399699 607930534 /nfs/dbraw/zinc/93/05/34/607930534.db2.gz COXSSCBYVQJLRT-ZZXKWVIFSA-N -1 3 362.212 2.982 20 30 FFEDHM C#CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837281 607939377 /nfs/dbraw/zinc/93/93/77/607939377.db2.gz AFAUNNWKMLMRIX-KBXCAEBGSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837281 607939378 /nfs/dbraw/zinc/93/93/78/607939378.db2.gz AFAUNNWKMLMRIX-KBXCAEBGSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838293 607939561 /nfs/dbraw/zinc/93/95/61/607939561.db2.gz NXFWUIPTHHYQJY-KDOFPFPSSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838293 607939562 /nfs/dbraw/zinc/93/95/62/607939562.db2.gz NXFWUIPTHHYQJY-KDOFPFPSSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838308 607939848 /nfs/dbraw/zinc/93/98/48/607939848.db2.gz NXFWUIPTHHYQJY-RDTXWAMCSA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838308 607939849 /nfs/dbraw/zinc/93/98/49/607939849.db2.gz NXFWUIPTHHYQJY-RDTXWAMCSA-N -1 3 360.421 2.992 20 30 FFEDHM C=C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823883228 607981646 /nfs/dbraw/zinc/98/16/46/607981646.db2.gz LPZNMYHYWQWALG-ZDUSSCGKSA-N -1 3 351.385 2.982 20 30 FFEDHM C=C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823883228 607981647 /nfs/dbraw/zinc/98/16/47/607981647.db2.gz LPZNMYHYWQWALG-ZDUSSCGKSA-N -1 3 351.385 2.982 20 30 FFEDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000824763636 608070253 /nfs/dbraw/zinc/07/02/53/608070253.db2.gz OHLYHFNNDORADW-LIRRHRJNSA-N -1 3 360.421 2.873 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1OC ZINC000823915410 608355773 /nfs/dbraw/zinc/35/57/73/608355773.db2.gz XEYLVKCFGWDZMR-UHFFFAOYSA-N -1 3 360.421 2.935 20 30 FFEDHM N#C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000826380193 608499090 /nfs/dbraw/zinc/49/90/90/608499090.db2.gz QNHWQLMQNYSODQ-ZDUSSCGKSA-N -1 3 374.738 2.793 20 30 FFEDHM N#C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000826380193 608499092 /nfs/dbraw/zinc/49/90/92/608499092.db2.gz QNHWQLMQNYSODQ-ZDUSSCGKSA-N -1 3 374.738 2.793 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CSCc3ccccc32)n1 ZINC000826350208 608539155 /nfs/dbraw/zinc/53/91/55/608539155.db2.gz MHFGZZABVOUVGL-UHFFFAOYSA-N -1 3 357.830 2.978 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CSCc3ccccc32)n1 ZINC000826350208 608539157 /nfs/dbraw/zinc/53/91/57/608539157.db2.gz MHFGZZABVOUVGL-UHFFFAOYSA-N -1 3 357.830 2.978 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc(-n3cccn3)c2)n1 ZINC000826350403 608540843 /nfs/dbraw/zinc/54/08/43/608540843.db2.gz UMLKWEXZVNRQRI-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc(-n3cccn3)c2)n1 ZINC000826350403 608540845 /nfs/dbraw/zinc/54/08/45/608540845.db2.gz UMLKWEXZVNRQRI-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Fc1ccc2[nH]cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c2c1 ZINC000826375930 608541870 /nfs/dbraw/zinc/54/18/70/608541870.db2.gz IBCMVDOKALYVQT-UHFFFAOYSA-N -1 3 356.752 2.982 20 30 FFEDHM Fc1ccc2[nH]cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c2c1 ZINC000826375930 608541872 /nfs/dbraw/zinc/54/18/72/608541872.db2.gz IBCMVDOKALYVQT-UHFFFAOYSA-N -1 3 356.752 2.982 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826211013 608873692 /nfs/dbraw/zinc/87/36/92/608873692.db2.gz MIJDGMUHEUZIHT-DAXSKMNVSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826211013 608873695 /nfs/dbraw/zinc/87/36/95/608873695.db2.gz MIJDGMUHEUZIHT-DAXSKMNVSA-N -1 3 354.341 2.919 20 30 FFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475492 608878201 /nfs/dbraw/zinc/87/82/01/608878201.db2.gz HVPRJLYKGSTZOZ-YCRREMRBSA-N -1 3 358.279 2.943 20 30 FFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475492 608878203 /nfs/dbraw/zinc/87/82/03/608878203.db2.gz HVPRJLYKGSTZOZ-YCRREMRBSA-N -1 3 358.279 2.943 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(C#N)CCCCC1 ZINC000824757660 609152446 /nfs/dbraw/zinc/15/24/46/609152446.db2.gz ZPDHHLRIGMKQOW-ZDUSSCGKSA-N -1 3 355.398 2.651 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1(C#N)CCCCC1 ZINC000824757660 609152449 /nfs/dbraw/zinc/15/24/49/609152449.db2.gz ZPDHHLRIGMKQOW-ZDUSSCGKSA-N -1 3 355.398 2.651 20 30 FFEDHM C=CCC[C@H](C)OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823893897 609152644 /nfs/dbraw/zinc/15/26/44/609152644.db2.gz ARCHNMIRQRKMKR-ZDUSSCGKSA-N -1 3 352.398 2.872 20 30 FFEDHM C=CCC[C@H](C)OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823893897 609152646 /nfs/dbraw/zinc/15/26/46/609152646.db2.gz ARCHNMIRQRKMKR-ZDUSSCGKSA-N -1 3 352.398 2.872 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824034711 609159378 /nfs/dbraw/zinc/15/93/78/609159378.db2.gz NLNSJCCTEAJDSR-SNVBAGLBSA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824034711 609159379 /nfs/dbraw/zinc/15/93/79/609159379.db2.gz NLNSJCCTEAJDSR-SNVBAGLBSA-N -1 3 367.344 2.941 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc(F)cc3-c3nnn[n-]3)n2)c1 ZINC000826386493 609166701 /nfs/dbraw/zinc/16/67/01/609166701.db2.gz HNJOPZJSKCPPTC-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc(F)cc3-c3nn[n-]n3)n2)c1 ZINC000826386493 609166702 /nfs/dbraw/zinc/16/67/02/609166702.db2.gz HNJOPZJSKCPPTC-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM CC(C)(C#N)CCCNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824059119 609278214 /nfs/dbraw/zinc/27/82/14/609278214.db2.gz NDOUWONOJDNTOY-UHFFFAOYSA-N -1 3 354.393 2.933 20 30 FFEDHM Cn1cc(C=NNc2cccc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360379 609304792 /nfs/dbraw/zinc/30/47/92/609304792.db2.gz IKRPMHITQMHJRP-UHFFFAOYSA-N -1 3 362.372 2.852 20 30 FFEDHM Cn1cc(C=NNc2cccc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360379 609304794 /nfs/dbraw/zinc/30/47/94/609304794.db2.gz IKRPMHITQMHJRP-UHFFFAOYSA-N -1 3 362.372 2.852 20 30 FFEDHM Cn1cc(C=NOCc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360827 609304922 /nfs/dbraw/zinc/30/49/22/609304922.db2.gz ZSMSSBAZQIXNER-UHFFFAOYSA-N -1 3 359.393 2.818 20 30 FFEDHM Cn1cc(C=NOCc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360827 609304923 /nfs/dbraw/zinc/30/49/23/609304923.db2.gz ZSMSSBAZQIXNER-UHFFFAOYSA-N -1 3 359.393 2.818 20 30 FFEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cn2)cc1 ZINC000826385944 609438338 /nfs/dbraw/zinc/43/83/38/609438338.db2.gz IQABPQBULALKDF-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cn2)cc1 ZINC000826385944 609438340 /nfs/dbraw/zinc/43/83/40/609438340.db2.gz IQABPQBULALKDF-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM Cn1cc(CNc2ccc(F)c(C#N)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361511 609444600 /nfs/dbraw/zinc/44/46/00/609444600.db2.gz ADBXYPLBULZIJN-UHFFFAOYSA-N -1 3 374.383 2.890 20 30 FFEDHM Cn1cc(CNc2ccc(F)c(C#N)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361511 609444602 /nfs/dbraw/zinc/44/46/02/609444602.db2.gz ADBXYPLBULZIJN-UHFFFAOYSA-N -1 3 374.383 2.890 20 30 FFEDHM COc1nc2sccn2c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826221878 609472059 /nfs/dbraw/zinc/47/20/59/609472059.db2.gz ZIZJBORZZICSOQ-UHFFFAOYSA-N -1 3 374.817 2.684 20 30 FFEDHM Clc1cc(NN=Cc2cccc3c2OCCO3)ccc1-c1nnn[n-]1 ZINC000826351164 609473803 /nfs/dbraw/zinc/47/38/03/609473803.db2.gz ABGQKNDQXVOOHC-UHFFFAOYSA-N -1 3 356.773 2.737 20 30 FFEDHM Clc1cc(NN=Cc2cccc3c2OCCO3)ccc1-c1nn[n-]n1 ZINC000826351164 609473804 /nfs/dbraw/zinc/47/38/04/609473804.db2.gz ABGQKNDQXVOOHC-UHFFFAOYSA-N -1 3 356.773 2.737 20 30 FFEDHM Cn1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C(C)(C)C)n1 ZINC000826360639 609474708 /nfs/dbraw/zinc/47/47/08/609474708.db2.gz SDXKNHMGALYRHB-UHFFFAOYSA-N -1 3 358.837 2.997 20 30 FFEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C(C)(C)C)n1 ZINC000826360639 609474710 /nfs/dbraw/zinc/47/47/10/609474710.db2.gz SDXKNHMGALYRHB-UHFFFAOYSA-N -1 3 358.837 2.997 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2)ccc1F ZINC000045263881 727999689 /nfs/dbraw/zinc/99/96/89/727999689.db2.gz ATVYHYAWEYAFLY-UHFFFAOYSA-N -1 3 362.426 2.562 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1F ZINC000045284616 728000194 /nfs/dbraw/zinc/00/01/94/728000194.db2.gz RHDYZXVPYSKOLO-IUODEOHRSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C)C2)ccc1F ZINC000045419208 728002022 /nfs/dbraw/zinc/00/20/22/728002022.db2.gz RHEXNYFAPXSGIK-TZMCWYRMSA-N -1 3 354.447 2.599 20 30 FFEDHM Cc1cc(C)c(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000746491476 735487653 /nfs/dbraw/zinc/48/76/53/735487653.db2.gz GXFRJNXAXYFTQP-UHFFFAOYSA-N -1 3 361.423 2.974 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)ccc1F ZINC000074516219 728237164 /nfs/dbraw/zinc/23/71/64/728237164.db2.gz UBGNBMBQMCIWCD-DZGCQCFKSA-N -1 3 368.474 2.941 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(F)cc(Br)c1 ZINC000125205661 728680186 /nfs/dbraw/zinc/68/01/86/728680186.db2.gz CDWQHFFTVIIFDM-LBPRGKRZSA-N -1 3 362.158 2.944 20 30 FFEDHM Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cn1 ZINC000126587581 728704226 /nfs/dbraw/zinc/70/42/26/728704226.db2.gz UEPLKWSGDWOBOG-GFCCVEGCSA-N -1 3 350.350 2.696 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000862569014 730709554 /nfs/dbraw/zinc/70/95/54/730709554.db2.gz LJHBTHGTGISKGW-LLVKDONJSA-N -1 3 359.223 2.776 20 30 FFEDHM Cc1nc([C@H]2CCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000870135718 731473469 /nfs/dbraw/zinc/47/34/69/731473469.db2.gz DJXSYZKCDXYYSI-GXTWGEPZSA-N -1 3 355.419 2.917 20 30 FFEDHM Cc1cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000871117537 731597515 /nfs/dbraw/zinc/59/75/15/731597515.db2.gz QLFQZNCDEAGRQB-JTQLQIEISA-N -1 3 363.464 2.512 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccncc3)cs2)CCCC1 ZINC000872573317 731793074 /nfs/dbraw/zinc/79/30/74/731793074.db2.gz XMQDKPRBUOLSMV-UHFFFAOYSA-N -1 3 362.480 2.708 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(C)C)C2)ccc1F ZINC000781095536 738598819 /nfs/dbraw/zinc/59/88/19/738598819.db2.gz OGTUTQQYFUYPTD-OAHLLOKOSA-N -1 3 368.474 2.798 20 30 FFEDHM C=CCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@@H](C)COC ZINC000664470799 732588171 /nfs/dbraw/zinc/58/81/71/732588171.db2.gz HUXRVEJMIHQSFK-NSHDSACASA-N -1 3 357.248 2.887 20 30 FFEDHM CN(C)S(=O)(=O)c1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000782178043 738695209 /nfs/dbraw/zinc/69/52/09/738695209.db2.gz ZBAMOLDVTNXDJJ-WOJGMQOQSA-N -1 3 352.843 2.915 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@@H](C(F)(F)F)C1 ZINC000928143785 738832781 /nfs/dbraw/zinc/83/27/81/738832781.db2.gz ZUYSQLHTLLFQKH-CYBMUJFWSA-N -1 3 373.400 2.715 20 30 FFEDHM Cn1cc(C=N[N-]S(=O)(=O)Cc2ccccc2)c(C2CCCCC2)n1 ZINC000783832466 738840571 /nfs/dbraw/zinc/84/05/71/738840571.db2.gz QNAJVELZZSTRHK-UHFFFAOYSA-N -1 3 360.483 2.921 20 30 FFEDHM C#CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000734151289 734877496 /nfs/dbraw/zinc/87/74/96/734877496.db2.gz ZMDPFCQMOMTYNF-UHFFFAOYSA-N -1 3 355.337 2.594 20 30 FFEDHM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN[C@H]1CCCN([O-])C1=O ZINC000895166961 734970590 /nfs/dbraw/zinc/97/05/90/734970590.db2.gz VTLHBAIBHRLGGK-HNNXBMFYSA-N -1 3 366.824 2.502 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(C#N)cc2Cl)cc1 ZINC000784194664 738868068 /nfs/dbraw/zinc/86/80/68/738868068.db2.gz YOZXNFCQOHUMDA-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM O=C(c1cccc(N=Cc2ccc(O)c([O-])c2O)c1)N1CCSCC1 ZINC000747362304 735558843 /nfs/dbraw/zinc/55/88/43/735558843.db2.gz WSPNRYGNWUQEQO-UHFFFAOYSA-N -1 3 358.419 2.743 20 30 FFEDHM CC(C)NS(=O)(=O)c1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901375671 735771886 /nfs/dbraw/zinc/77/18/86/735771886.db2.gz JIZLLTUFDURUHZ-UHFFFAOYSA-N -1 3 366.414 2.544 20 30 FFEDHM C#CCOc1cccc(Cl)c1CN1CCC[C@](COC)(C(=O)[O-])C1 ZINC000901864871 735854932 /nfs/dbraw/zinc/85/49/32/735854932.db2.gz KVPWVQJQFZZTGI-SFHVURJKSA-N -1 3 351.830 2.665 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)ccc1F ZINC000754697495 736189379 /nfs/dbraw/zinc/18/93/79/736189379.db2.gz NUBGAMHPYLLIRO-GZBFAFLISA-N -1 3 368.474 2.845 20 30 FFEDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cccc(CC#N)c2)c1C ZINC000755148588 736237331 /nfs/dbraw/zinc/23/73/31/736237331.db2.gz DVOVFAXZXGFEJQ-UHFFFAOYSA-N -1 3 362.407 2.642 20 30 FFEDHM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c([O-])cccc1Cl ZINC000755632328 736266902 /nfs/dbraw/zinc/26/69/02/736266902.db2.gz GEFWQLRNEPGREQ-UHFFFAOYSA-N -1 3 352.847 2.899 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(CC(C)C)CC2)ccc1F ZINC000756988293 736381092 /nfs/dbraw/zinc/38/10/92/736381092.db2.gz QLCRXDZDYLUNDS-UHFFFAOYSA-N -1 3 368.474 2.846 20 30 FFEDHM Cc1cn2ccnc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c2n1 ZINC000763934309 736980100 /nfs/dbraw/zinc/98/01/00/736980100.db2.gz YMVHZJRCAFITQV-LLVKDONJSA-N -1 3 353.769 2.652 20 30 FFEDHM Cn1nc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)cc1OC(F)F ZINC000767101900 737291754 /nfs/dbraw/zinc/29/17/54/737291754.db2.gz WLQYRNVBLPJVMO-UHFFFAOYSA-N -1 3 371.687 2.707 20 30 FFEDHM N#Cc1cc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cs1 ZINC000914171712 737519628 /nfs/dbraw/zinc/51/96/28/737519628.db2.gz MHHLKNDVCFXBPD-UHFFFAOYSA-N -1 3 367.399 2.715 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OC)c2F)c1 ZINC000769890384 737579488 /nfs/dbraw/zinc/57/94/88/737579488.db2.gz OUIVHECIILTZFG-UHFFFAOYSA-N -1 3 364.398 2.551 20 30 FFEDHM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000771149631 737700455 /nfs/dbraw/zinc/70/04/55/737700455.db2.gz GDAGHKZTOYLHPZ-UITAMQMPSA-N -1 3 360.366 2.684 20 30 FFEDHM C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c(OC)c2[O-])SC1=S ZINC000772176265 737793518 /nfs/dbraw/zinc/79/35/18/737793518.db2.gz LGAJWFMYQKNQOB-YFHOEESVSA-N -1 3 352.393 2.696 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1c(Cl)nc2sccn12 ZINC000920383658 737904359 /nfs/dbraw/zinc/90/43/59/737904359.db2.gz MFSRZFZSIHCMEC-UHFFFAOYSA-N -1 3 354.844 2.503 20 30 FFEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccccc1 ZINC000778641810 738400726 /nfs/dbraw/zinc/40/07/26/738400726.db2.gz JGBRPEBZDNNRAJ-AWEZNQCLSA-N -1 3 361.419 2.672 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(C)(C)C)C2)ccc1F ZINC000784569686 738904581 /nfs/dbraw/zinc/90/45/81/738904581.db2.gz GEABEAXUJMRPED-AWEZNQCLSA-N -1 3 368.474 2.798 20 30 FFEDHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)c(C)c1Cl ZINC000788549889 739257495 /nfs/dbraw/zinc/25/74/95/739257495.db2.gz XCKWYOHVCMPKIZ-SECBINFHSA-N -1 3 364.876 2.713 20 30 FFEDHM C#Cc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000934924821 739867453 /nfs/dbraw/zinc/86/74/53/739867453.db2.gz AXTPGWXNULYMLT-ZDUSSCGKSA-N -1 3 353.344 2.590 20 30 FFEDHM C=CCN1CC[C@@H](N(C)Cc2cc(C)cc(Br)c2[O-])C1=O ZINC000798956946 740377299 /nfs/dbraw/zinc/37/72/99/740377299.db2.gz QYKULFTWQCVYLN-CQSZACIVSA-N -1 3 353.260 2.682 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000806549978 741068785 /nfs/dbraw/zinc/06/87/85/741068785.db2.gz DZQHDHGDBOOUJO-FAXWQTKOSA-N -1 3 354.328 2.759 20 30 FFEDHM C#CC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccccc1 ZINC000809828273 741350101 /nfs/dbraw/zinc/35/01/01/741350101.db2.gz KKDXHNJYZZHGDH-HNNXBMFYSA-N -1 3 361.419 2.726 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000810099578 741385771 /nfs/dbraw/zinc/38/57/71/741385771.db2.gz LMYVEMBEYDJHOX-CYBMUJFWSA-N -1 3 350.783 2.901 20 30 FFEDHM COCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(Cl)cc1 ZINC000814860327 741870590 /nfs/dbraw/zinc/87/05/90/741870590.db2.gz PFVIRWQMKPIHGD-UHFFFAOYSA-N -1 3 366.870 2.853 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(C2SCCCS2)cc1 ZINC000816753634 742059125 /nfs/dbraw/zinc/05/91/25/742059125.db2.gz MKYWUBNBJYWXNP-CYBMUJFWSA-N -1 3 352.481 2.665 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000820138311 742466695 /nfs/dbraw/zinc/46/66/95/742466695.db2.gz YKVPWTBZMSWRAS-NSHDSACASA-N -1 3 354.284 2.685 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823893930 742997056 /nfs/dbraw/zinc/99/70/56/742997056.db2.gz BQHRXKZEEXVKHS-JTQLQIEISA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823893930 742997061 /nfs/dbraw/zinc/99/70/61/742997061.db2.gz BQHRXKZEEXVKHS-JTQLQIEISA-N -1 3 355.851 2.543 20 30 FFEDHM C#CCCCS(=O)(=O)[N-]c1nc2cc(Br)ccc2n1CC ZINC000840945389 747237815 /nfs/dbraw/zinc/23/78/15/747237815.db2.gz MDKWCCSOADOCMB-UHFFFAOYSA-N -1 3 370.272 2.974 20 30 FFEDHM CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc([O-])c(Br)c1 ZINC000844590681 748056666 /nfs/dbraw/zinc/05/66/66/748056666.db2.gz XAJGMSGYXDOMBF-BETUJISGSA-N -1 3 351.248 2.739 20 30 FFEDHM Cc1cc(C(C)(C)C(=O)N[C@H]2CCCN([O-])C2=O)ccc1Br ZINC000848133390 748850446 /nfs/dbraw/zinc/85/04/46/748850446.db2.gz YHPTUVDLRCFEJR-ZDUSSCGKSA-N -1 3 369.259 2.532 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC(C)(C)CCC#N)c1 ZINC000848455618 748930726 /nfs/dbraw/zinc/93/07/26/748930726.db2.gz AKOLECZDAYTNHH-UHFFFAOYSA-N -1 3 356.419 2.529 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCOCC1 ZINC000849450167 749158429 /nfs/dbraw/zinc/15/84/29/749158429.db2.gz CXOOFKNOGJCQOY-UHFFFAOYSA-N -1 3 351.255 2.792 20 30 FFEDHM CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000119593445 845635703 /nfs/dbraw/zinc/63/57/03/845635703.db2.gz OLCZZGATTOPGDY-HNNXBMFYSA-N -1 3 355.419 2.654 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)CC1 ZINC000908945274 939360661 /nfs/dbraw/zinc/36/06/61/939360661.db2.gz DRLLJSXWIZUPAJ-GOSISDBHSA-N -1 3 359.470 2.769 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735381539 944642158 /nfs/dbraw/zinc/64/21/58/944642158.db2.gz VEVFTOFNEWIYRQ-UHFFFAOYSA-N -1 3 368.397 2.827 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735381539 944642169 /nfs/dbraw/zinc/64/21/69/944642169.db2.gz VEVFTOFNEWIYRQ-UHFFFAOYSA-N -1 3 368.397 2.827 20 30 FFEDHM N#CCOc1ccccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783148060 971220526 /nfs/dbraw/zinc/22/05/26/971220526.db2.gz JUKJACBTZLJYCC-UHFFFAOYSA-N -1 3 351.318 2.702 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573293187 946951969 /nfs/dbraw/zinc/95/19/69/946951969.db2.gz NYTANNYICRPTNS-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573293187 946951974 /nfs/dbraw/zinc/95/19/74/946951974.db2.gz NYTANNYICRPTNS-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)COCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001573293865 946970492 /nfs/dbraw/zinc/97/04/92/946970492.db2.gz MJIOLHFMOBALRN-UHFFFAOYSA-N -1 3 364.475 2.940 20 30 FFEDHM C=C(C)COCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001573293865 946970505 /nfs/dbraw/zinc/97/05/05/946970505.db2.gz MJIOLHFMOBALRN-UHFFFAOYSA-N -1 3 364.475 2.940 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C[C@@H]1C ZINC001573305711 947158725 /nfs/dbraw/zinc/15/87/25/947158725.db2.gz TXEUIDWCQLBSDE-UONOGXRCSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C[C@@H]1C ZINC001573305711 947158733 /nfs/dbraw/zinc/15/87/33/947158733.db2.gz TXEUIDWCQLBSDE-UONOGXRCSA-N -1 3 369.473 2.655 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573306826 947175563 /nfs/dbraw/zinc/17/55/63/947175563.db2.gz NJSPKAOEOYOTDQ-ZBEGNZNMSA-N -1 3 363.491 2.541 20 30 FFEDHM C=CC(C)(C)NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001573308193 947187514 /nfs/dbraw/zinc/18/75/14/947187514.db2.gz YTEXCJFGLBQWOL-UHFFFAOYSA-N -1 3 363.425 2.568 20 30 FFEDHM C=CC(C)(C)NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001573308193 947187522 /nfs/dbraw/zinc/18/75/22/947187522.db2.gz YTEXCJFGLBQWOL-UHFFFAOYSA-N -1 3 363.425 2.568 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573319812 947334333 /nfs/dbraw/zinc/33/43/33/947334333.db2.gz RTOGFZJHPLCYOO-CQSZACIVSA-N -1 3 370.432 2.787 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573319812 947334345 /nfs/dbraw/zinc/33/43/45/947334345.db2.gz RTOGFZJHPLCYOO-CQSZACIVSA-N -1 3 370.432 2.787 20 30 FFEDHM C=CCCC(=O)N[C@H](CNc1snc(C)c1-c1nnn[n-]1)C(C)(C)C ZINC001573327465 947391149 /nfs/dbraw/zinc/39/11/49/947391149.db2.gz GDBPOOYMIYJGBE-LLVKDONJSA-N -1 3 363.491 2.541 20 30 FFEDHM C=CCCCC(=O)N1CCC(CCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573334114 947447458 /nfs/dbraw/zinc/44/74/58/947447458.db2.gz JUWBZJBCSYGRQC-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCCCC(=O)N1CCC(CCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573334114 947447464 /nfs/dbraw/zinc/44/74/64/947447464.db2.gz JUWBZJBCSYGRQC-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CC ZINC001573335169 947475575 /nfs/dbraw/zinc/47/55/75/947475575.db2.gz NGGYXJNCLZGTTQ-UHFFFAOYSA-N -1 3 352.446 2.938 20 30 FFEDHM C=CCCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CC ZINC001573335169 947475582 /nfs/dbraw/zinc/47/55/82/947475582.db2.gz NGGYXJNCLZGTTQ-UHFFFAOYSA-N -1 3 352.446 2.938 20 30 FFEDHM C=CCn1c(C2CC2)nnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573348786 947588843 /nfs/dbraw/zinc/58/88/43/947588843.db2.gz WFJDVXJXQGAZIJ-UHFFFAOYSA-N -1 3 374.452 2.815 20 30 FFEDHM C=CCn1c(C2CC2)nnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573348786 947588850 /nfs/dbraw/zinc/58/88/50/947588850.db2.gz WFJDVXJXQGAZIJ-UHFFFAOYSA-N -1 3 374.452 2.815 20 30 FFEDHM C=COc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573350406 947596662 /nfs/dbraw/zinc/59/66/62/947596662.db2.gz DSQYTLFFGPURMX-OAHLLOKOSA-N -1 3 360.377 2.710 20 30 FFEDHM C=COc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573350406 947596667 /nfs/dbraw/zinc/59/66/67/947596667.db2.gz DSQYTLFFGPURMX-OAHLLOKOSA-N -1 3 360.377 2.710 20 30 FFEDHM CC(C)(C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC001573787851 949186946 /nfs/dbraw/zinc/18/69/46/949186946.db2.gz CDWYQMPKYZBIJI-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)(C(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC001573787851 949186960 /nfs/dbraw/zinc/18/69/60/949186960.db2.gz CDWYQMPKYZBIJI-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM C#CC(C)(C)C(=O)N1CC[C@H]2C[C@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001276014257 1013285992 /nfs/dbraw/zinc/28/59/92/1013285992.db2.gz GFYHPVBFXYFGEX-JEOXALJRSA-N -1 3 369.446 2.591 20 30 FFEDHM C#CCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184063885 967577093 /nfs/dbraw/zinc/57/70/93/967577093.db2.gz FZFPIZQAYFHQFY-LJQANCHMSA-N -1 3 350.418 2.783 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cccc3cnccc23)cc1 ZINC000782903851 969887735 /nfs/dbraw/zinc/88/77/35/969887735.db2.gz LWSOLUGKHNKFAN-UHFFFAOYSA-N -1 3 370.390 2.597 20 30 FFEDHM C=C(C)CONC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875697755 1014064025 /nfs/dbraw/zinc/06/40/25/1014064025.db2.gz OGNYXFLSBSJOIK-GFCCVEGCSA-N -1 3 371.359 2.876 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2c(Cl)nc3ccccn32)c1 ZINC000127122151 973519775 /nfs/dbraw/zinc/51/97/75/973519775.db2.gz FBNHRBDTPBBPGL-ZDUSSCGKSA-N -1 3 368.780 2.957 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1[O-] ZINC000899227550 977027649 /nfs/dbraw/zinc/02/76/49/977027649.db2.gz NJVQOABCGXIUSI-UHFFFAOYSA-N -1 3 369.421 2.720 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1[O-] ZINC000899230217 977028257 /nfs/dbraw/zinc/02/82/57/977028257.db2.gz FPHFMHWIZRCLGL-SJTXTDJHSA-N -1 3 363.458 2.652 20 30 FFEDHM C=CCSc1ccccc1C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899497962 977193138 /nfs/dbraw/zinc/19/31/38/977193138.db2.gz FYFXVBFLRHVEAO-UHFFFAOYSA-N -1 3 370.478 2.731 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1c([O-])cccc1OC ZINC001271876800 979204003 /nfs/dbraw/zinc/20/40/03/979204003.db2.gz OGHXSESQUNYJJC-FQEVSTJZSA-N -1 3 358.438 2.574 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1Cc1ccc(F)c(C#N)c1 ZINC001088471225 979757071 /nfs/dbraw/zinc/75/70/71/979757071.db2.gz AEGMZCUBSBHZIK-ACJLOTCBSA-N -1 3 353.397 2.796 20 30 FFEDHM COCCOC(=O)c1c(C)[nH]c(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC000904174739 980206717 /nfs/dbraw/zinc/20/67/17/980206717.db2.gz HJGRVWGOMJLAHG-UHFFFAOYSA-N -1 3 364.373 2.605 20 30 FFEDHM O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N([O-])Cc1ccc(F)cc1 ZINC000904173989 980207010 /nfs/dbraw/zinc/20/70/10/980207010.db2.gz XWJZGUQHEVNLOJ-UHFFFAOYSA-N -1 3 369.396 2.960 20 30 FFEDHM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)ccc1F ZINC001212023964 981460071 /nfs/dbraw/zinc/46/00/71/981460071.db2.gz WQLNSSBJERWPON-LLVKDONJSA-N -1 3 363.370 2.954 20 30 FFEDHM Cc1cc(C2([N-]C(=O)C(F)(F)c3ccccc3C#N)CCOCC2)on1 ZINC000913342497 984244924 /nfs/dbraw/zinc/24/49/24/984244924.db2.gz GJNORGHVCONBGN-UHFFFAOYSA-N -1 3 361.348 2.769 20 30 FFEDHM O=C(Nc1cccc(CSc2ccccn2)c1)N[C@H]1CCCN([O-])C1=O ZINC000878534689 1015089746 /nfs/dbraw/zinc/08/97/46/1015089746.db2.gz RIDTYJKKVZGFIJ-HNNXBMFYSA-N -1 3 372.450 2.876 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000913695753 986843396 /nfs/dbraw/zinc/84/33/96/986843396.db2.gz PYVWMBBSFVSZDO-KTKRTIGZSA-N -1 3 351.406 2.813 20 30 FFEDHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878924719 1015283863 /nfs/dbraw/zinc/28/38/63/1015283863.db2.gz RSXCCCLWTVULCR-PBHICJAKSA-N -1 3 360.458 2.876 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nnc(C(C)(C)C)o1 ZINC000914798483 987915932 /nfs/dbraw/zinc/91/59/32/987915932.db2.gz NKORXPANSGFQHX-UHFFFAOYSA-N -1 3 358.398 2.632 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)cc1OC ZINC000916935310 990036340 /nfs/dbraw/zinc/03/63/40/990036340.db2.gz OMQBMUKYYBFWBR-CQSZACIVSA-N -1 3 369.333 2.573 20 30 FFEDHM C=CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OC ZINC000917509627 990235405 /nfs/dbraw/zinc/23/54/05/990235405.db2.gz XNVYRWUFVMDXAO-AWEZNQCLSA-N -1 3 351.362 2.616 20 30 FFEDHM CCOC(=O)C[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(OC)c1 ZINC000917556854 990243204 /nfs/dbraw/zinc/24/32/04/990243204.db2.gz PJDBWBDFTHBNIA-JGVLGKFESA-N -1 3 372.421 2.710 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(-c2nnco2)cc1 ZINC000921237117 991013046 /nfs/dbraw/zinc/01/30/46/991013046.db2.gz FAPOSXLWWLYVGE-UHFFFAOYSA-N -1 3 364.361 2.864 20 30 FFEDHM C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001079433337 992113781 /nfs/dbraw/zinc/11/37/81/992113781.db2.gz UVFHCMIPEFUXHP-FZKQIMNGSA-N -1 3 353.397 2.653 20 30 FFEDHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001598498752 992400328 /nfs/dbraw/zinc/40/03/28/992400328.db2.gz MGUFYNQJFBOYCI-OSICKASQSA-N -1 3 366.417 2.700 20 30 FFEDHM O=C(Nc1cccc(OCc2ccccc2)c1)N[C@@H]1CCCN([O-])C1=O ZINC000880370343 1015818696 /nfs/dbraw/zinc/81/86/96/1015818696.db2.gz GPZVFTHCIBCPTL-QGZVFWFLSA-N -1 3 355.394 2.767 20 30 FFEDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2cc(C#N)c(F)cc2F)cn1 ZINC001132470439 994935330 /nfs/dbraw/zinc/93/53/30/994935330.db2.gz OIHKTTAZWZFNEL-UHFFFAOYSA-N -1 3 360.320 2.834 20 30 FFEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000811188029 995052057 /nfs/dbraw/zinc/05/20/57/995052057.db2.gz SXEGQIITSXRIQE-QWQRMKEZSA-N -1 3 358.438 2.950 20 30 FFEDHM CCOc1cc2c(cc1C/N=C\c1c([O-])c(C)ncc1CO)O[C@H](C)C2 ZINC000747712831 995140590 /nfs/dbraw/zinc/14/05/90/995140590.db2.gz GTLPRHHJUWNDLY-RRSAXVHRSA-N -1 3 356.422 2.929 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000743448391 999819280 /nfs/dbraw/zinc/81/92/80/999819280.db2.gz MXYXOJQBIRROMZ-UHFFFAOYSA-N -1 3 368.462 2.758 20 30 FFEDHM N#Cc1ccc2[nH]c(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)nc2c1 ZINC001169189994 1000029918 /nfs/dbraw/zinc/02/99/18/1000029918.db2.gz QCLIWFYSDIGDNJ-UHFFFAOYSA-N -1 3 365.299 2.807 20 30 FFEDHM C[C@@H]1C[C@H](C)CN([C@@H]2CCCCC2=NNc2nc(=O)c3cnn(C)c3[n-]2)C1 ZINC000769818454 1000598405 /nfs/dbraw/zinc/59/84/05/1000598405.db2.gz UYZVFNHAXGRNKJ-DVOMOZLQSA-N -1 3 371.489 2.757 20 30 FFEDHM COCc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769812395 1000610027 /nfs/dbraw/zinc/61/00/27/1000610027.db2.gz NTUDJHIXTNBNCR-UHFFFAOYSA-N -1 3 354.414 2.879 20 30 FFEDHM CC(C)(C)OC(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC000770112246 1000681731 /nfs/dbraw/zinc/68/17/31/1000681731.db2.gz ZVERJNKAJPYVCT-OAHLLOKOSA-N -1 3 365.389 2.998 20 30 FFEDHM N#Cc1ccc(N2CC[C@@]3(CNC(=O)c4ccccc4[O-])CCC[C@@H]23)cn1 ZINC001054706426 1016509002 /nfs/dbraw/zinc/50/90/02/1016509002.db2.gz UEJFWRFDHWGHLG-TZIWHRDSSA-N -1 3 362.433 2.838 20 30 FFEDHM CSc1nc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c(C#N)c(-c2ccc(C)cc2)n1 ZINC001171363162 1001718994 /nfs/dbraw/zinc/71/89/94/1001718994.db2.gz AXNZXZOPAQIZQW-FZMZJTMJSA-N -1 3 369.450 2.694 20 30 FFEDHM CC(C)[C@H](C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)N(C)C ZINC001183359898 1002239303 /nfs/dbraw/zinc/23/93/03/1002239303.db2.gz KHMCRPAJVGFWIW-LEBHLANCSA-N -1 3 373.482 2.746 20 30 FFEDHM COc1c([O-])c(C=NNc2nc3cc(F)c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000773033749 1002247568 /nfs/dbraw/zinc/24/75/68/1002247568.db2.gz ITERGPKLUSPTPQ-UHFFFAOYSA-N -1 3 363.280 2.910 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000790606679 1002433432 /nfs/dbraw/zinc/43/34/32/1002433432.db2.gz LNYHBNVEDFGYEI-UHFFFAOYSA-N -1 3 371.322 2.553 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000790606679 1002433438 /nfs/dbraw/zinc/43/34/38/1002433438.db2.gz LNYHBNVEDFGYEI-UHFFFAOYSA-N -1 3 371.322 2.553 20 30 FFEDHM N#Cc1cccc(N2C[C@H](C(=O)Nc3cc([O-])cc(Cl)c3)OC2=O)c1 ZINC001184382269 1002582035 /nfs/dbraw/zinc/58/20/35/1002582035.db2.gz QSJSQQSVGYOMFK-OAHLLOKOSA-N -1 3 357.753 2.881 20 30 FFEDHM CC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OC(C)(C)C ZINC000791302186 1002639267 /nfs/dbraw/zinc/63/92/67/1002639267.db2.gz OFUFGQLNGJRJAG-OAHLLOKOSA-N -1 3 362.426 2.872 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C)n2)cc1OC ZINC000747109339 1003314318 /nfs/dbraw/zinc/31/43/18/1003314318.db2.gz PCTWLQRFSSOYBM-CYBMUJFWSA-N -1 3 370.409 2.522 20 30 FFEDHM C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001186853447 1003440537 /nfs/dbraw/zinc/44/05/37/1003440537.db2.gz CSXPCYVYJRPASR-YUMQZZPRSA-N -1 3 351.819 2.844 20 30 FFEDHM CC(F)(F)c1ncncc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196713897 1003924235 /nfs/dbraw/zinc/92/42/35/1003924235.db2.gz QMENWRPUOJCSQJ-UHFFFAOYSA-N -1 3 372.784 2.592 20 30 FFEDHM N#Cc1cc(F)c(C(=O)[N-]c2ncnc3c2ncn3[C@@H]2CCCO2)c(F)c1 ZINC001191906523 1003982122 /nfs/dbraw/zinc/98/21/22/1003982122.db2.gz AEINNSORPAKNHE-LBPRGKRZSA-N -1 3 370.319 2.537 20 30 FFEDHM COc1ccc(-n2nc(C)cc2C(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001192884765 1004309966 /nfs/dbraw/zinc/30/99/66/1004309966.db2.gz RDXPCPDYLHFTBQ-UHFFFAOYSA-N -1 3 365.393 2.628 20 30 FFEDHM N#Cc1cc(Br)cc([N-]S(=O)(=O)Cc2ccccn2)c1 ZINC001197820672 1004388773 /nfs/dbraw/zinc/38/87/73/1004388773.db2.gz HRJNANHFKQEBMA-UHFFFAOYSA-N -1 3 352.213 2.658 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)OC ZINC001193573423 1004514959 /nfs/dbraw/zinc/51/49/59/1004514959.db2.gz LUKYBBDDWYSSKF-ZDUSSCGKSA-N -1 3 355.387 2.666 20 30 FFEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1 ZINC001193680453 1004548417 /nfs/dbraw/zinc/54/84/17/1004548417.db2.gz ODQLSMCQITXNFT-UHFFFAOYSA-N -1 3 371.462 2.963 20 30 FFEDHM C=C1CC(C(=O)N2CC[C@H]3C[C@]32C(=O)Nc2nc3c(cccc3[O-])s2)C1 ZINC001273767620 1004641865 /nfs/dbraw/zinc/64/18/65/1004641865.db2.gz AVBWELULESNFJU-HXPMCKFVSA-N -1 3 369.446 2.898 20 30 FFEDHM C=CCCC[C@H]([N-]S(=O)(=O)CCc1ccccc1Cl)C(=O)OC ZINC001194897657 1004839026 /nfs/dbraw/zinc/83/90/26/1004839026.db2.gz ZBYUNKYGOVXIHN-HNNXBMFYSA-N -1 3 359.875 2.700 20 30 FFEDHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)cc1 ZINC001201215022 1005185382 /nfs/dbraw/zinc/18/53/82/1005185382.db2.gz PDGWMYCPLWGKPR-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cnc2Br)cc1C#N ZINC001201295249 1005195177 /nfs/dbraw/zinc/19/51/77/1005195177.db2.gz OLOKXTQEKNYZEX-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776275329 1005342344 /nfs/dbraw/zinc/34/23/44/1005342344.db2.gz RQNXYYWOOJVBPL-LLVKDONJSA-N -1 3 352.346 2.650 20 30 FFEDHM N#CCOc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001135417231 1006923809 /nfs/dbraw/zinc/92/38/09/1006923809.db2.gz VSOGEAYKUNCNMW-UHFFFAOYSA-N -1 3 355.300 2.961 20 30 FFEDHM N#Cc1cccc(NC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000074284495 1006949296 /nfs/dbraw/zinc/94/92/96/1006949296.db2.gz HRLGYXXHORRBTK-UHFFFAOYSA-N -1 3 359.385 2.940 20 30 FFEDHM Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc12 ZINC000816752880 1007191626 /nfs/dbraw/zinc/19/16/26/1007191626.db2.gz RNQMOVAOGQVWFJ-CQSZACIVSA-N -1 3 370.434 2.505 20 30 FFEDHM Cc1ccc(Oc2ccc(OCC(=O)N[C@H]3CCCN([O-])C3=O)cc2)cc1 ZINC000816757374 1007191699 /nfs/dbraw/zinc/19/16/99/1007191699.db2.gz QYHKYUOJVGFHRJ-SFHVURJKSA-N -1 3 370.405 2.663 20 30 FFEDHM COc1nc(S(=O)(=O)[N-][C@@](C)(C#N)c2ccccc2Cl)ccc1F ZINC001190117678 1007480594 /nfs/dbraw/zinc/48/05/94/1007480594.db2.gz FRNYKEZHFYYQQB-HNNXBMFYSA-N -1 3 369.805 2.600 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)n1 ZINC000884704456 1007512973 /nfs/dbraw/zinc/51/29/73/1007512973.db2.gz HITRUZDHLSJARD-UHFFFAOYSA-N -1 3 363.343 2.708 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(C#N)CC(C)C ZINC001190609762 1007719751 /nfs/dbraw/zinc/71/97/51/1007719751.db2.gz WLMQXNFAWYINLS-OAHLLOKOSA-N -1 3 358.847 2.733 20 30 FFEDHM CCN(CC[N-]S(=O)(=O)c1cc(C#N)ccc1F)c1cccc(C)c1 ZINC001190607998 1007720257 /nfs/dbraw/zinc/72/02/57/1007720257.db2.gz HLMIWALORJNQAQ-UHFFFAOYSA-N -1 3 361.442 2.811 20 30 FFEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C(=O)OC(C)(C)C ZINC001190666514 1007724181 /nfs/dbraw/zinc/72/41/81/1007724181.db2.gz XXBIXXHEPDUTQW-NHYWBVRUSA-N -1 3 370.446 2.732 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCOc3cc(F)ccc32)c1 ZINC001190671019 1007725293 /nfs/dbraw/zinc/72/52/93/1007725293.db2.gz QIRRZSGOLCALOY-AWEZNQCLSA-N -1 3 350.346 2.639 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3c(F)cc(F)cc32)c1 ZINC001190676901 1007744706 /nfs/dbraw/zinc/74/47/06/1007744706.db2.gz KIYCJXBYININOH-CQSZACIVSA-N -1 3 368.336 2.778 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(-c3ncco3)cc2)c1 ZINC001190677274 1007746290 /nfs/dbraw/zinc/74/62/90/1007746290.db2.gz PLLWGGYKKMVXIM-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM COc1ccc(N2CC[C@@H](C/N=C/c3c([O-])c(C)ncc3CO)C2)cc1 ZINC000818991418 1008002870 /nfs/dbraw/zinc/00/28/70/1008002870.db2.gz CYYSKUZZFNJMSW-FPQGOQEYSA-N -1 3 355.438 2.542 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnc(F)c(C)c2)C1=O ZINC000857718654 1008196108 /nfs/dbraw/zinc/19/61/08/1008196108.db2.gz QQNDGKOSJHKANZ-GOSISDBHSA-N -1 3 364.421 2.845 20 30 FFEDHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N[C@H]1CCCN([O-])C1=O ZINC000820482297 1008339761 /nfs/dbraw/zinc/33/97/61/1008339761.db2.gz HFUYNDGFHXAOJF-SFHVURJKSA-N -1 3 366.417 2.813 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C[C@H]1C ZINC001206537538 1032333262 /nfs/dbraw/zinc/33/32/62/1032333262.db2.gz YCRIUOYXZRPPQN-CRAIPNDOSA-N -1 3 366.465 2.752 20 30 FFEDHM C[C@@H](NC(=O)c1ccccc1SCC#N)c1nc(C(F)(F)F)n[n-]1 ZINC001179176970 1009280580 /nfs/dbraw/zinc/28/05/80/1009280580.db2.gz OBQJFQCYYVDFPT-MRVPVSSYSA-N -1 3 355.345 2.930 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001179276558 1009307248 /nfs/dbraw/zinc/30/72/48/1009307248.db2.gz BGIZDRNTNDDEGL-ORAYPTAESA-N -1 3 357.410 2.849 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1[O-] ZINC000887734565 1009546016 /nfs/dbraw/zinc/54/60/16/1009546016.db2.gz DMDBNYROECFELZ-IBGZPJMESA-N -1 3 350.374 2.680 20 30 FFEDHM C=C[C@@](C)(O)CC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316826 1012853674 /nfs/dbraw/zinc/85/36/74/1012853674.db2.gz ZAMWZEUBPGDWKV-YVEFUNNKSA-N -1 3 370.371 2.513 20 30 FFEDHM CCCCc1noc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000926018594 1017940802 /nfs/dbraw/zinc/94/08/02/1017940802.db2.gz LTVCJWBAPLISIY-UHFFFAOYSA-N -1 3 358.398 2.677 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000133269847 1018871018 /nfs/dbraw/zinc/87/10/18/1018871018.db2.gz DDWJFPWDICUAPS-HUUCEWRRSA-N -1 3 371.462 2.973 20 30 FFEDHM O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N([O-])Cc1ccc(F)cc1 ZINC000901373032 1019014625 /nfs/dbraw/zinc/01/46/25/1019014625.db2.gz RLEJANQWPKXIHO-UHFFFAOYSA-N -1 3 362.313 2.927 20 30 FFEDHM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375056 1019016557 /nfs/dbraw/zinc/01/65/57/1019016557.db2.gz ARDIJFNDRHZEHY-LJQANCHMSA-N -1 3 369.396 2.772 20 30 FFEDHM C=CCOC[C@@H](NCc1cc2ccccc2nc1N1CCCCC1)C(=O)[O-] ZINC000901808621 1019490644 /nfs/dbraw/zinc/49/06/44/1019490644.db2.gz ICUWSDFPVMFDNO-LJQANCHMSA-N -1 3 369.465 2.971 20 30 FFEDHM C#CCCCN1CCCC[C@@]12CC(=O)N(Cc1ccc(C(=O)[O-])cc1)C2 ZINC001276382733 1019657886 /nfs/dbraw/zinc/65/78/86/1019657886.db2.gz AZVXXDVWFMEQGG-NRFANRHFSA-N -1 3 354.450 2.755 20 30 FFEDHM C#CCCCN1CCCC[C@]12CC(=O)N(Cc1ccc(C(=O)[O-])cc1)C2 ZINC001276382736 1019662052 /nfs/dbraw/zinc/66/20/52/1019662052.db2.gz AZVXXDVWFMEQGG-OAQYLSRUSA-N -1 3 354.450 2.755 20 30 FFEDHM CN(CCC#N)c1ccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900069819 1020168360 /nfs/dbraw/zinc/16/83/60/1020168360.db2.gz AIEDCHLUQFQMTC-MRXNPFEDSA-N -1 3 353.426 2.556 20 30 FFEDHM N#CCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC001117805551 1021906516 /nfs/dbraw/zinc/90/65/16/1021906516.db2.gz XJHPHMDGWFEZMX-UHFFFAOYSA-N -1 3 353.753 2.726 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)nc(N(C)C)c2)c1 ZINC000113652385 1021932397 /nfs/dbraw/zinc/93/23/97/1021932397.db2.gz KXCADQSRIBRMOZ-CQSZACIVSA-N -1 3 372.812 2.771 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2cn3ccccc3c2C#N)cc1 ZINC000115497516 1022336049 /nfs/dbraw/zinc/33/60/49/1022336049.db2.gz FXZQBFLMFYETBK-UHFFFAOYSA-N -1 3 369.402 2.539 20 30 FFEDHM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC001119434972 1022763485 /nfs/dbraw/zinc/76/34/85/1022763485.db2.gz KDCKZYSBQDEDBJ-IBGZPJMESA-N -1 3 372.446 2.509 20 30 FFEDHM C=CC[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC001119580007 1022872860 /nfs/dbraw/zinc/87/28/60/1022872860.db2.gz IMQXAJLWZATFOT-WMLDXEAASA-N -1 3 370.371 2.587 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(N2CCCC2)nn1 ZINC001122413774 1023251688 /nfs/dbraw/zinc/25/16/88/1023251688.db2.gz ZZVUHTWDQJQWHF-GFCCVEGCSA-N -1 3 369.812 2.691 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC001122492643 1023303295 /nfs/dbraw/zinc/30/32/95/1023303295.db2.gz WXIWKSSCNNIRAE-GDBMZVCRSA-N -1 3 368.462 2.643 20 30 FFEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c(C)n1C ZINC000754911419 1023537657 /nfs/dbraw/zinc/53/76/57/1023537657.db2.gz CQTLNRHLTKYKNP-MRXNPFEDSA-N -1 3 369.450 2.917 20 30 FFEDHM C=CCC[C@H]1CCCN1c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCOC1 ZINC001123161828 1023663722 /nfs/dbraw/zinc/66/37/22/1023663722.db2.gz VUFMDBFQNCTSND-KBPBESRZSA-N -1 3 359.430 2.610 20 30 FFEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N1CCO[C@@H](C#N)C1 ZINC001121586011 1023865669 /nfs/dbraw/zinc/86/56/69/1023865669.db2.gz MQRRVQAOINOSNO-INIZCTEOSA-N -1 3 365.437 2.684 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001121607282 1023878388 /nfs/dbraw/zinc/87/83/88/1023878388.db2.gz LFJJMBOYMZWARA-JGGQBBKZSA-N -1 3 354.458 2.950 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001121652013 1023904815 /nfs/dbraw/zinc/90/48/15/1023904815.db2.gz DWTLVDJYCCHTPA-YGRLFVJLSA-N -1 3 370.240 2.845 20 30 FFEDHM C#CCOc1ccc([C@@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000759329506 1024564507 /nfs/dbraw/zinc/56/45/07/1024564507.db2.gz IGPHMXFYSOXVDO-CQSZACIVSA-N -1 3 373.430 2.988 20 30 FFEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001141609551 1026666195 /nfs/dbraw/zinc/66/61/95/1026666195.db2.gz NCEIZDBWEZYKCP-INIZCTEOSA-N -1 3 360.211 2.713 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)cc1 ZINC001141956942 1027219629 /nfs/dbraw/zinc/21/96/29/1027219629.db2.gz JDCHQVRPCHDKHW-UHFFFAOYSA-N -1 3 358.419 2.690 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC001160174977 1027621630 /nfs/dbraw/zinc/62/16/30/1027621630.db2.gz SOFDLGLVJYSBKA-BBRMVZONSA-N -1 3 361.405 2.854 20 30 FFEDHM C#CC1CCN(C(=O)c2c[n-]c3cc(Br)ccc3c2=O)CC1 ZINC001153877236 1028039173 /nfs/dbraw/zinc/03/91/73/1028039173.db2.gz JQGNEMLMFMEJEY-UHFFFAOYSA-N -1 3 359.223 2.776 20 30 FFEDHM COC(=O)c1cc(C#N)cc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)c1 ZINC001155186416 1028619136 /nfs/dbraw/zinc/61/91/36/1028619136.db2.gz LBSKJEQUACBAFG-UHFFFAOYSA-N -1 3 355.741 2.522 20 30 FFEDHM COC(=O)c1cc(C#N)cc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)c1 ZINC001155186416 1028619142 /nfs/dbraw/zinc/61/91/42/1028619142.db2.gz LBSKJEQUACBAFG-UHFFFAOYSA-N -1 3 355.741 2.522 20 30 FFEDHM COC(=O)c1cc(C#N)cc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)c1 ZINC001155186416 1028619154 /nfs/dbraw/zinc/61/91/54/1028619154.db2.gz LBSKJEQUACBAFG-UHFFFAOYSA-N -1 3 355.741 2.522 20 30 FFEDHM CN(C)C(=O)c1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC001163771170 1029057743 /nfs/dbraw/zinc/05/77/43/1029057743.db2.gz YNZAOJYJAGYYLW-UHFFFAOYSA-N -1 3 368.315 2.930 20 30 FFEDHM N#CCc1ccc(OCc2ccc(NCCCc3c[n-][nH]c3=O)nc2)cc1 ZINC001156284091 1029127080 /nfs/dbraw/zinc/12/70/80/1029127080.db2.gz CZOMPTHGRJGOKA-QGZVFWFLSA-N -1 3 363.421 2.651 20 30 FFEDHM CC(=N[S@](=O)C(C)(C)C)c1ccc(NCCCc2c[n-][nH]c2=O)cc1 ZINC001164406137 1029277399 /nfs/dbraw/zinc/27/73/99/1029277399.db2.gz CDXUHHHJZUDVPF-HWZBAMCNSA-N -1 3 362.499 2.882 20 30 FFEDHM COC(=O)c1sc2[n-]c(CSc3ccncc3C#N)nc(=O)c2c1C ZINC001166494456 1030422712 /nfs/dbraw/zinc/42/27/12/1030422712.db2.gz KYJRJJYWGIYQMH-UHFFFAOYSA-N -1 3 372.431 2.639 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc([O-])c(Nc2cc(F)c(C#N)c(F)c2)c1 ZINC001203681697 1030823705 /nfs/dbraw/zinc/82/37/05/1030823705.db2.gz KMFKKMIOULCYFZ-UHFFFAOYSA-N -1 3 353.350 2.536 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2c1C[C@@H](C)CC2 ZINC000842687063 1030901303 /nfs/dbraw/zinc/90/13/03/1030901303.db2.gz UBDXSEUFAZMCTM-UONOGXRCSA-N -1 3 366.421 2.825 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C3CCC3)nn2)cc1Cl ZINC000842689587 1030901609 /nfs/dbraw/zinc/90/16/09/1030901609.db2.gz AOEOCDBEKAZMLK-GFCCVEGCSA-N -1 3 373.800 2.626 20 30 FFEDHM N#Cc1cccc(N2CCN(Cc3cn(CC(=O)[O-])c4ccccc34)CC2)c1 ZINC001138195814 1033941445 /nfs/dbraw/zinc/94/14/45/1033941445.db2.gz GEFWCAUXKZZPHV-UHFFFAOYSA-N -1 3 374.444 2.920 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)[n-]1 ZINC001225466675 1034265742 /nfs/dbraw/zinc/26/57/42/1034265742.db2.gz FZQGCGHDNOMJRB-CYBMUJFWSA-N -1 3 369.368 2.991 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2[n-]c(=S)ncc2C2CC2)C[C@H]1C#N ZINC001226118140 1034532842 /nfs/dbraw/zinc/53/28/42/1034532842.db2.gz ARCHVTJTDHVBAL-NWDGAFQWSA-N -1 3 362.455 2.923 20 30 FFEDHM C=CCN1C[C@@]2(F)CN(Cc3cc(Cl)c(C)cc3[O-])C[C@@]2(F)C1=O ZINC001277213405 1035576479 /nfs/dbraw/zinc/57/64/79/1035576479.db2.gz NROQRJYHDNITOI-DLBZAZTESA-N -1 3 356.800 2.614 20 30 FFEDHM N#Cc1cccnc1N1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227743809 1035710093 /nfs/dbraw/zinc/71/00/93/1035710093.db2.gz YQNCFIVJFRWQMC-UHFFFAOYSA-N -1 3 364.365 2.786 20 30 FFEDHM N#Cc1cccnc1N1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227743809 1035710114 /nfs/dbraw/zinc/71/01/14/1035710114.db2.gz YQNCFIVJFRWQMC-UHFFFAOYSA-N -1 3 364.365 2.786 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)[C@H](C#N)C1 ZINC001227747177 1035713366 /nfs/dbraw/zinc/71/33/66/1035713366.db2.gz XYKJCZBCWIENNZ-YGRLFVJLSA-N -1 3 373.369 2.609 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)[C@H](C#N)C1 ZINC001227747177 1035713386 /nfs/dbraw/zinc/71/33/86/1035713386.db2.gz XYKJCZBCWIENNZ-YGRLFVJLSA-N -1 3 373.369 2.609 20 30 FFEDHM CC(C)n1nc(CN(C)C)c2c1CN(Cc1cc(C#N)ccc1[O-])CC2 ZINC001232675035 1035933956 /nfs/dbraw/zinc/93/39/56/1035933956.db2.gz KEKCPKBKPNZFNR-UHFFFAOYSA-N -1 3 353.470 2.661 20 30 FFEDHM C=CCOC(=O)N1CCCC2(CCN(Cc3ccc(C(=O)[O-])o3)CC2)C1 ZINC001140942245 1036504480 /nfs/dbraw/zinc/50/44/80/1036504480.db2.gz RPHLNVGESWWNQD-UHFFFAOYSA-N -1 3 362.426 2.978 20 30 FFEDHM N#Cc1ccc(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)c([O-])c1 ZINC001233384664 1036584223 /nfs/dbraw/zinc/58/42/23/1036584223.db2.gz DIIVCARVTQKIDC-CEWLAPEOSA-N -1 3 365.433 2.607 20 30 FFEDHM N#Cc1ccc(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)c([O-])c1 ZINC001233384665 1036586139 /nfs/dbraw/zinc/58/61/39/1036586139.db2.gz DIIVCARVTQKIDC-SESVDKBCSA-N -1 3 365.433 2.607 20 30 FFEDHM COC(=O)c1cc(Br)cc([O-])c1OC1=C(C)O[C@@H](C)C1=O ZINC001229585612 1036764665 /nfs/dbraw/zinc/76/46/65/1036764665.db2.gz RCVFSYHNEGFZRT-LURJTMIESA-N -1 3 357.156 2.539 20 30 FFEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001234511590 1037066970 /nfs/dbraw/zinc/06/69/70/1037066970.db2.gz RMWWJOGSNJKTJU-LLVKDONJSA-N -1 3 370.409 2.841 20 30 FFEDHM CC(C)OC(=O)N1CCC(Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234510648 1037067277 /nfs/dbraw/zinc/06/72/77/1037067277.db2.gz DEPGBHIZUSRVLO-UHFFFAOYSA-N -1 3 356.382 2.595 20 30 FFEDHM C[C@@H]1C[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CN1C(=O)OC(C)(C)C ZINC001234511157 1037067738 /nfs/dbraw/zinc/06/77/38/1037067738.db2.gz KTQLBOWKVJSWLH-YPMHNXCESA-N -1 3 370.409 2.984 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001207108096 1037152921 /nfs/dbraw/zinc/15/29/21/1037152921.db2.gz XCKUQIFTCUOOAJ-RDTXWAMCSA-N -1 3 370.497 2.765 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN2C[C@@H](Oc3ccccc3C=N[O-])C[C@H]2C1 ZINC001234822677 1037191805 /nfs/dbraw/zinc/19/18/05/1037191805.db2.gz NHSYZYCGOZDYCP-HOTGVXAUSA-N -1 3 361.442 2.567 20 30 FFEDHM N#Cc1cccnc1N1CCC(Oc2nc(=O)[n-]c3c2SCCC3)CC1 ZINC001234920116 1037241204 /nfs/dbraw/zinc/24/12/04/1037241204.db2.gz GUWXRGBJOCBJLY-UHFFFAOYSA-N -1 3 369.450 2.535 20 30 FFEDHM C=C(C)[C@@H]1CC=C(CN2CCN(CCCCS(=O)(=O)[O-])CC2)CC1 ZINC001208178330 1038118126 /nfs/dbraw/zinc/11/81/26/1038118126.db2.gz QBOQCPRNOBCFFD-GOSISDBHSA-N -1 3 356.532 2.575 20 30 FFEDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1c(F)cc(C#N)cc1F)C(=O)C2 ZINC001258986056 1039639807 /nfs/dbraw/zinc/63/98/07/1039639807.db2.gz WABUXLSIFDKXFI-PIGZYNQJSA-N -1 3 368.405 2.974 20 30 FFEDHM N#Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001259061275 1039678261 /nfs/dbraw/zinc/67/82/61/1039678261.db2.gz XCECOORTVVQPRD-UHFFFAOYSA-N -1 3 371.281 2.903 20 30 FFEDHM CC(C)(O)C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC001259356974 1039937459 /nfs/dbraw/zinc/93/74/59/1039937459.db2.gz GWGVNCQOJJOSRS-UHFFFAOYSA-N -1 3 357.431 2.545 20 30 FFEDHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259418980 1039987831 /nfs/dbraw/zinc/98/78/31/1039987831.db2.gz AYGXCPOISNSYGB-UHFFFAOYSA-N -1 3 352.318 2.563 20 30 FFEDHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)cc1C#N ZINC001259431011 1039998517 /nfs/dbraw/zinc/99/85/17/1039998517.db2.gz PYURWBWCZDPOOH-UHFFFAOYSA-N -1 3 354.334 2.969 20 30 FFEDHM COc1ccc(OCCCS(=O)(=O)[N-]c2cc(C#N)ccc2F)cc1 ZINC001259648320 1040134607 /nfs/dbraw/zinc/13/46/07/1040134607.db2.gz RADVHJDZZIWARP-UHFFFAOYSA-N -1 3 364.398 2.917 20 30 FFEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)[C@@H](C)CC ZINC001260835731 1040839563 /nfs/dbraw/zinc/83/95/63/1040839563.db2.gz GNCUPZDMYLNLBN-WFASDCNBSA-N -1 3 359.875 2.903 20 30 FFEDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2F)c1 ZINC001260845377 1040847035 /nfs/dbraw/zinc/84/70/35/1040847035.db2.gz NMJFBXWBMNVKTR-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CCCCCCS ZINC001261065622 1040968091 /nfs/dbraw/zinc/96/80/91/1040968091.db2.gz YRWWLWZMHXJBGI-UHFFFAOYSA-N -1 3 371.933 2.957 20 30 FFEDHM C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C ZINC001538021969 1070318650 /nfs/dbraw/zinc/31/86/50/1070318650.db2.gz JTMLRULSTODYKS-UHFFFAOYSA-N -1 3 368.474 2.776 20 30 FFEDHM CCCCCCCCc1nnc(NC(=O)N[C@@H]2CCCN([O-])C2=O)s1 ZINC001214371410 1041400679 /nfs/dbraw/zinc/40/06/79/1041400679.db2.gz JNSCUABEMDOJTO-GFCCVEGCSA-N -1 3 369.491 2.943 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@@H](C)[C@H](C(=O)OC)C3)n2C)c1[O-] ZINC001262918350 1041959875 /nfs/dbraw/zinc/95/98/75/1041959875.db2.gz MXRWRNWZNVLJAZ-CZUORRHYSA-N -1 3 370.453 2.552 20 30 FFEDHM Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2cccc(Cl)c2[O-])cc1C#N ZINC001279443066 1043118304 /nfs/dbraw/zinc/11/83/04/1043118304.db2.gz VSBVFMVMAISSPB-CALCHBBNSA-N -1 3 356.857 2.714 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)cc1F)c1ccc(F)cc1 ZINC001309523919 1043420768 /nfs/dbraw/zinc/42/07/68/1043420768.db2.gz OMSQHVTXHCHBMP-AWEZNQCLSA-N -1 3 355.337 2.765 20 30 FFEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC001310108631 1043638094 /nfs/dbraw/zinc/63/80/94/1043638094.db2.gz UANQAOPOCUMIMR-QZTJIDSGSA-N -1 3 364.405 2.844 20 30 FFEDHM O=C(OCc1ccccc1-c1cc([O-])cc(F)c1)ON1C(=O)CCC1=O ZINC001241271363 1044498283 /nfs/dbraw/zinc/49/82/83/1044498283.db2.gz DTZXLPIMESRTDE-UHFFFAOYSA-N -1 3 359.309 2.916 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2Cl)ccc1F ZINC001318909064 1044934483 /nfs/dbraw/zinc/93/44/83/1044934483.db2.gz DXYODBYUXBQMFH-UHFFFAOYSA-N -1 3 369.805 2.591 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OCC ZINC001320435848 1045408155 /nfs/dbraw/zinc/40/81/55/1045408155.db2.gz BZLFTRGWGFYBKC-SNVBAGLBSA-N -1 3 352.239 2.780 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(N(C)C)cc1 ZINC001321215615 1045589542 /nfs/dbraw/zinc/58/95/42/1045589542.db2.gz YPPOICUENSDDJO-UHFFFAOYSA-N -1 3 366.465 2.633 20 30 FFEDHM C#Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC001289617067 1047710069 /nfs/dbraw/zinc/71/00/69/1047710069.db2.gz CYCYIOPLIXJLIH-UHFFFAOYSA-N -1 3 360.410 2.746 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001341755392 1050371619 /nfs/dbraw/zinc/37/16/19/1050371619.db2.gz FHZLIMVBOPOXGF-LBPRGKRZSA-N -1 3 365.869 2.544 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001341755392 1050371632 /nfs/dbraw/zinc/37/16/32/1050371632.db2.gz FHZLIMVBOPOXGF-LBPRGKRZSA-N -1 3 365.869 2.544 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC(OCC(F)F)C3)n2C)c1[O-] ZINC001341826244 1050437996 /nfs/dbraw/zinc/43/79/96/1050437996.db2.gz JUNQSCAOHGHXMF-UHFFFAOYSA-N -1 3 364.396 2.777 20 30 FFEDHM Cc1ccc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCCN([O-])C3=O)c2c1 ZINC001298543129 1050470579 /nfs/dbraw/zinc/47/05/79/1050470579.db2.gz LZSJHSHHMFCASM-MRXNPFEDSA-N -1 3 365.389 2.913 20 30 FFEDHM C=C1CCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2ccccc2)CC1 ZINC001342183840 1050776883 /nfs/dbraw/zinc/77/68/83/1050776883.db2.gz PGILFKWASAYJPO-UHFFFAOYSA-N -1 3 362.437 2.954 20 30 FFEDHM COc1cccc2cc(C[N-]S(=O)(=O)c3cccc(F)c3C#N)oc21 ZINC001340973615 1051306638 /nfs/dbraw/zinc/30/66/38/1051306638.db2.gz UUXNZXCPGBVXAF-UHFFFAOYSA-N -1 3 360.366 2.931 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1Cc2ccc(C(C)=O)cc2C1 ZINC001342855159 1051462735 /nfs/dbraw/zinc/46/27/35/1051462735.db2.gz ZVNYZHVPGGRNAI-UHFFFAOYSA-N -1 3 365.393 2.938 20 30 FFEDHM CS(=O)(=O)Nc1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001306894960 1052215066 /nfs/dbraw/zinc/21/50/66/1052215066.db2.gz TYSFPRCNIHBVJL-UHFFFAOYSA-N -1 3 354.815 2.743 20 30 FFEDHM CCCCN([O-])C(=O)C1=NO[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001306897272 1052215498 /nfs/dbraw/zinc/21/54/98/1052215498.db2.gz GOHAKBVMDUDKST-KRWDZBQOSA-N -1 3 355.435 2.550 20 30 FFEDHM C=CCN(C)c1nnc(-c2sc3ncccc3c2[O-])n1C[C@@H]1CCOC1 ZINC001343988793 1052531319 /nfs/dbraw/zinc/53/13/19/1052531319.db2.gz VJGJSACTORJNIR-LBPRGKRZSA-N -1 3 371.466 2.919 20 30 FFEDHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CCOC ZINC001343993819 1052534392 /nfs/dbraw/zinc/53/43/92/1052534392.db2.gz MIUSIRVULJOFBY-UHFFFAOYSA-N -1 3 359.455 2.919 20 30 FFEDHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)c(C)n1 ZINC001346241069 1052800589 /nfs/dbraw/zinc/80/05/89/1052800589.db2.gz ZUYRKGAFAUERNN-AWEZNQCLSA-N -1 3 354.410 2.961 20 30 FFEDHM C=CC1CCN(c2nnc(-c3c[n-]oc3=O)n2C[C@@H]2CCCCO2)CC1 ZINC001347146187 1053663932 /nfs/dbraw/zinc/66/39/32/1053663932.db2.gz AKNBZMAKYGDFFR-AWEZNQCLSA-N -1 3 359.430 2.610 20 30 FFEDHM C=CCSc1ccccc1C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001349221175 1055148333 /nfs/dbraw/zinc/14/83/33/1055148333.db2.gz DCMFNQVWOIPEHI-CQSZACIVSA-N -1 3 370.478 2.777 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@H]3CCOC[C@H]3OC)n2C)c1[O-] ZINC001338678184 1055724218 /nfs/dbraw/zinc/72/42/18/1055724218.db2.gz YVFFBROKRLAXLI-DLBZAZTESA-N -1 3 372.469 2.546 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2sc(Cl)cc2C1 ZINC001338834517 1055857422 /nfs/dbraw/zinc/85/74/22/1055857422.db2.gz OLVZVEDIYDWMKI-UHFFFAOYSA-N -1 3 374.857 2.904 20 30 FFEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@@H](OC)C1 ZINC001339117909 1056110192 /nfs/dbraw/zinc/11/01/92/1056110192.db2.gz JMEDGCMZMIGXIK-CQSZACIVSA-N -1 3 362.861 2.833 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccsc2[C@H]1C ZINC001339606017 1056629093 /nfs/dbraw/zinc/62/90/93/1056629093.db2.gz FBIIKVMMDYAEIO-LLVKDONJSA-N -1 3 354.439 2.812 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](CC(F)(F)F)C1 ZINC001339655748 1056681837 /nfs/dbraw/zinc/68/18/37/1056681837.db2.gz BGHHGVQYZFRHAV-JTQLQIEISA-N -1 3 357.336 2.994 20 30 FFEDHM N#CCSc1ccccc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001450903598 1059061657 /nfs/dbraw/zinc/06/16/57/1059061657.db2.gz WXNMJPULCLJRIH-UHFFFAOYSA-N -1 3 350.407 2.658 20 30 FFEDHM N#CCSc1ccccc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001450903598 1059061674 /nfs/dbraw/zinc/06/16/74/1059061674.db2.gz WXNMJPULCLJRIH-UHFFFAOYSA-N -1 3 350.407 2.658 20 30 FFEDHM N#Cc1ccccc1-c1ccccc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001452719653 1059283122 /nfs/dbraw/zinc/28/31/22/1059283122.db2.gz BHZIAIJGOPAREL-UHFFFAOYSA-N -1 3 362.414 2.940 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ncc(CC)s1 ZINC001520576782 1059822553 /nfs/dbraw/zinc/82/25/53/1059822553.db2.gz ZSAJQSRZNZDAGG-UHFFFAOYSA-N -1 3 371.470 2.590 20 30 FFEDHM CCn1c2ccccc2n(CC(=O)N([O-])Cc2ccccc2Cl)c1=O ZINC001458001700 1060488392 /nfs/dbraw/zinc/48/83/92/1060488392.db2.gz FVIHJFUBEDYLTI-UHFFFAOYSA-N -1 3 359.813 2.894 20 30 FFEDHM C#CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC001475617792 1061167004 /nfs/dbraw/zinc/16/70/04/1061167004.db2.gz DXKMXNNSPICOCN-UHFFFAOYSA-N -1 3 373.228 2.582 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1OC(F)F ZINC001462811414 1061788160 /nfs/dbraw/zinc/78/81/60/1061788160.db2.gz UOCQIMPICRMSGQ-UHFFFAOYSA-N -1 3 374.390 2.708 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)c(F)c1 ZINC001463031143 1061899797 /nfs/dbraw/zinc/89/97/97/1061899797.db2.gz KOKBFJPKBCKJCL-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC001463395613 1062084918 /nfs/dbraw/zinc/08/49/18/1062084918.db2.gz XLDZGBGKUPJTAM-JTQLQIEISA-N -1 3 373.276 2.515 20 30 FFEDHM N#Cc1cc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)co1 ZINC001434914860 1062351540 /nfs/dbraw/zinc/35/15/40/1062351540.db2.gz MCRNKPXFCDRJGI-UHFFFAOYSA-N -1 3 372.182 2.806 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001523776978 1062618119 /nfs/dbraw/zinc/61/81/19/1062618119.db2.gz HHZJXGKMGSYYDW-OAHLLOKOSA-N -1 3 372.473 2.577 20 30 FFEDHM CCC[C@H](C#N)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001442585935 1063543028 /nfs/dbraw/zinc/54/30/28/1063543028.db2.gz YFXDZCUUAXSCEG-SECBINFHSA-N -1 3 353.300 2.849 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC001575187543 1078114105 /nfs/dbraw/zinc/11/41/05/1078114105.db2.gz CZIDLBSIANRKKO-QMMMGPOBSA-N -1 3 373.829 2.666 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC001575187543 1078114107 /nfs/dbraw/zinc/11/41/07/1078114107.db2.gz CZIDLBSIANRKKO-QMMMGPOBSA-N -1 3 373.829 2.666 20 30 FFEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001472620615 1065112454 /nfs/dbraw/zinc/11/24/54/1065112454.db2.gz JDHMWLBQDITXPH-CYBMUJFWSA-N -1 3 354.834 2.585 20 30 FFEDHM O=C([C@@H]1CN(Cc2ccccc2)CCO1)N([O-])Cc1ccccc1Cl ZINC001472620084 1065113139 /nfs/dbraw/zinc/11/31/39/1065113139.db2.gz NYWOWPSVTSHCKT-SFHVURJKSA-N -1 3 360.841 2.959 20 30 FFEDHM CCC1(CC)NC(=O)N(CC(=O)N([O-])Cc2cccc3ccccc32)C1=O ZINC001472622739 1065114637 /nfs/dbraw/zinc/11/46/37/1065114637.db2.gz OYVFWJAINZXDEZ-UHFFFAOYSA-N -1 3 369.421 2.668 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNc2ncc(-c3nnn[n-]3)cc2F)c1 ZINC001576484700 1078234469 /nfs/dbraw/zinc/23/44/69/1078234469.db2.gz QDGTXALPVZDXKZ-ZDUSSCGKSA-N -1 3 353.361 2.694 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNc2ncc(-c3nn[n-]n3)cc2F)c1 ZINC001576484700 1078234471 /nfs/dbraw/zinc/23/44/71/1078234471.db2.gz QDGTXALPVZDXKZ-ZDUSSCGKSA-N -1 3 353.361 2.694 20 30 FFEDHM CCOC(=O)Nc1ccc(NCC#Cc2ccccc2)cc1-c1nnn[n-]1 ZINC001578248391 1078455257 /nfs/dbraw/zinc/45/52/57/1078455257.db2.gz BQFXJZPGNOZYGF-UHFFFAOYSA-N -1 3 362.393 2.899 20 30 FFEDHM CCOC(=O)Nc1ccc(NCC#Cc2ccccc2)cc1-c1nn[n-]n1 ZINC001578248391 1078455262 /nfs/dbraw/zinc/45/52/62/1078455262.db2.gz BQFXJZPGNOZYGF-UHFFFAOYSA-N -1 3 362.393 2.899 20 30 FFEDHM COc1cc(C#N)ccc1C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001579888794 1078709032 /nfs/dbraw/zinc/70/90/32/1078709032.db2.gz OYLZZGCKICIGPW-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM COc1cc(C#N)ccc1C(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001579888794 1078709037 /nfs/dbraw/zinc/70/90/37/1078709037.db2.gz OYLZZGCKICIGPW-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)cc(C#N)c1 ZINC001584720421 1079382393 /nfs/dbraw/zinc/38/23/93/1079382393.db2.gz HNYMXAIXYJLNGX-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)cc(C#N)c1 ZINC001584720421 1079382398 /nfs/dbraw/zinc/38/23/98/1079382398.db2.gz HNYMXAIXYJLNGX-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ncc1C(N)=O ZINC001559031255 1076117619 /nfs/dbraw/zinc/11/76/19/1076117619.db2.gz XZXPJVJFBOLWCC-UHFFFAOYSA-N -1 3 354.193 2.827 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001561590556 1076396107 /nfs/dbraw/zinc/39/61/07/1076396107.db2.gz PJKRDYPOQOKNSE-CQSZACIVSA-N -1 3 366.345 2.834 20 30 FFEDHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C(=O)OC ZINC001561929086 1076448142 /nfs/dbraw/zinc/44/81/42/1076448142.db2.gz FSNAWPFLUARMRI-CQSZACIVSA-N -1 3 363.838 2.796 20 30 FFEDHM O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC001562059779 1076473633 /nfs/dbraw/zinc/47/36/33/1076473633.db2.gz VIUUIJMMDFFAMQ-OAHLLOKOSA-N -1 3 366.377 2.997 20 30 FFEDHM Cc1cc2n[n-]c(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)c2c(=O)n1C ZINC001570572438 1077216147 /nfs/dbraw/zinc/21/61/47/1077216147.db2.gz FDONRVORWQYRJS-UHFFFAOYSA-N -1 3 374.322 2.579 20 30 FFEDHM Cc1cc2[n-]nc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)c2c(=O)n1C ZINC001570572438 1077216150 /nfs/dbraw/zinc/21/61/50/1077216150.db2.gz FDONRVORWQYRJS-UHFFFAOYSA-N -1 3 374.322 2.579 20 30 FFEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588327715 1079983740 /nfs/dbraw/zinc/98/37/40/1079983740.db2.gz PJGWVCVHTSLDQI-VIFPVBQESA-N -1 3 368.319 2.689 20 30 FFEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588327715 1079983745 /nfs/dbraw/zinc/98/37/45/1079983745.db2.gz PJGWVCVHTSLDQI-VIFPVBQESA-N -1 3 368.319 2.689 20 30 FFEDHM C#C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001588328436 1079984093 /nfs/dbraw/zinc/98/40/93/1079984093.db2.gz HAXGUOJZQDGZHS-CYBMUJFWSA-N -1 3 355.745 2.610 20 30 FFEDHM C#C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001588328436 1079984095 /nfs/dbraw/zinc/98/40/95/1079984095.db2.gz HAXGUOJZQDGZHS-CYBMUJFWSA-N -1 3 355.745 2.610 20 30 FFEDHM C#C[C@@H](C)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588325574 1079984121 /nfs/dbraw/zinc/98/41/21/1079984121.db2.gz PBAKADASUBTPBY-GFCCVEGCSA-N -1 3 363.381 2.539 20 30 FFEDHM C#C[C@@H](C)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588325574 1079984128 /nfs/dbraw/zinc/98/41/28/1079984128.db2.gz PBAKADASUBTPBY-GFCCVEGCSA-N -1 3 363.381 2.539 20 30 FFEDHM C#C[C@@H](NC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001588329370 1079984995 /nfs/dbraw/zinc/98/49/95/1079984995.db2.gz FAUYDUYZXUFKLK-RTBURBONSA-N -1 3 372.432 2.918 20 30 FFEDHM C#C[C@@H](NC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001588329370 1079984999 /nfs/dbraw/zinc/98/49/99/1079984999.db2.gz FAUYDUYZXUFKLK-RTBURBONSA-N -1 3 372.432 2.918 20 30 FFEDHM C#C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329242 1079985413 /nfs/dbraw/zinc/98/54/13/1079985413.db2.gz BCMKTPHPFBLIHA-RDTXWAMCSA-N -1 3 360.421 2.944 20 30 FFEDHM C#C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329242 1079985420 /nfs/dbraw/zinc/98/54/20/1079985420.db2.gz BCMKTPHPFBLIHA-RDTXWAMCSA-N -1 3 360.421 2.944 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccc(F)cc1 ZINC001588329314 1079986202 /nfs/dbraw/zinc/98/62/02/1079986202.db2.gz DARRNRZWCBLOKC-OAHLLOKOSA-N -1 3 350.357 2.810 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccc(F)cc1 ZINC001588329314 1079986208 /nfs/dbraw/zinc/98/62/08/1079986208.db2.gz DARRNRZWCBLOKC-OAHLLOKOSA-N -1 3 350.357 2.810 20 30 FFEDHM C#C[C@@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588329520 1079986217 /nfs/dbraw/zinc/98/62/17/1079986217.db2.gz IBTGRRKMSMZPSF-MRXNPFEDSA-N -1 3 360.352 2.591 20 30 FFEDHM C#C[C@@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588329520 1079986223 /nfs/dbraw/zinc/98/62/23/1079986223.db2.gz IBTGRRKMSMZPSF-MRXNPFEDSA-N -1 3 360.352 2.591 20 30 FFEDHM C#CC[C@@H]1CCCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001588337125 1079988444 /nfs/dbraw/zinc/98/84/44/1079988444.db2.gz JOLYQSBVIXHJLE-CQSZACIVSA-N -1 3 361.409 2.689 20 30 FFEDHM C#CC[C@@H]1CCCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001588337125 1079988449 /nfs/dbraw/zinc/98/84/49/1079988449.db2.gz JOLYQSBVIXHJLE-CQSZACIVSA-N -1 3 361.409 2.689 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588335532 1079989013 /nfs/dbraw/zinc/98/90/13/1079989013.db2.gz QCMIMRBZYSFCBG-KSSFIOAISA-N -1 3 364.453 2.689 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588335532 1079989017 /nfs/dbraw/zinc/98/90/17/1079989017.db2.gz QCMIMRBZYSFCBG-KSSFIOAISA-N -1 3 364.453 2.689 20 30 FFEDHM C#CCCCCC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588341494 1079990023 /nfs/dbraw/zinc/99/00/23/1079990023.db2.gz JIAAGSPSTZXLSD-UHFFFAOYSA-N -1 3 370.432 2.601 20 30 FFEDHM C#CCCCCC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588341494 1079990031 /nfs/dbraw/zinc/99/00/31/1079990031.db2.gz JIAAGSPSTZXLSD-UHFFFAOYSA-N -1 3 370.432 2.601 20 30 FFEDHM C#CCN(C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC001588347075 1079990293 /nfs/dbraw/zinc/99/02/93/1079990293.db2.gz HUNYWSCPIVCCQP-HNNXBMFYSA-N -1 3 351.454 2.840 20 30 FFEDHM C#CCN(C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001588347075 1079990297 /nfs/dbraw/zinc/99/02/97/1079990297.db2.gz HUNYWSCPIVCCQP-HNNXBMFYSA-N -1 3 351.454 2.840 20 30 FFEDHM C=C(Br)CNc1c(Br)cccc1-c1nnn[n-]1 ZINC001588391219 1080003253 /nfs/dbraw/zinc/00/32/53/1080003253.db2.gz GEMVZGIVIDBZOY-UHFFFAOYSA-N -1 3 359.025 2.950 20 30 FFEDHM C=C(Br)CNc1c(Br)cccc1-c1nn[n-]n1 ZINC001588391219 1080003263 /nfs/dbraw/zinc/00/32/63/1080003263.db2.gz GEMVZGIVIDBZOY-UHFFFAOYSA-N -1 3 359.025 2.950 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588393118 1080005595 /nfs/dbraw/zinc/00/55/95/1080005595.db2.gz NJPAVJPCRPXHLK-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588393118 1080005606 /nfs/dbraw/zinc/00/56/06/1080005606.db2.gz NJPAVJPCRPXHLK-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588394955 1080007511 /nfs/dbraw/zinc/00/75/11/1080007511.db2.gz ZQHSNZAEBDIMMP-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588394955 1080007517 /nfs/dbraw/zinc/00/75/17/1080007517.db2.gz ZQHSNZAEBDIMMP-ZDUSSCGKSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588400683 1080009951 /nfs/dbraw/zinc/00/99/51/1080009951.db2.gz DOPPKUNIVSKFHL-XKQJLSEDSA-N -1 3 370.457 2.550 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588400683 1080009961 /nfs/dbraw/zinc/00/99/61/1080009961.db2.gz DOPPKUNIVSKFHL-XKQJLSEDSA-N -1 3 370.457 2.550 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2OC)nnc1N(CC)CC ZINC001588436308 1080026826 /nfs/dbraw/zinc/02/68/26/1080026826.db2.gz IUTPRHFXSFJXEP-UHFFFAOYSA-N -1 3 368.445 2.556 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2OC)nnc1N(CC)CC ZINC001588436308 1080026831 /nfs/dbraw/zinc/02/68/31/1080026831.db2.gz IUTPRHFXSFJXEP-UHFFFAOYSA-N -1 3 368.445 2.556 20 30 FFEDHM C=C(Cl)COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001588447920 1080031636 /nfs/dbraw/zinc/03/16/36/1080031636.db2.gz NJSLAIAJLRZRLA-UHFFFAOYSA-N -1 3 360.757 2.948 20 30 FFEDHM C=C(Cl)COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001588447920 1080031646 /nfs/dbraw/zinc/03/16/46/1080031646.db2.gz NJSLAIAJLRZRLA-UHFFFAOYSA-N -1 3 360.757 2.948 20 30 FFEDHM C=C1CCC(CNC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001588462385 1080037015 /nfs/dbraw/zinc/03/70/15/1080037015.db2.gz MOIAJXNAYBMWBT-QGZVFWFLSA-N -1 3 352.442 2.900 20 30 FFEDHM C=C1CCC(CNC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001588462385 1080037026 /nfs/dbraw/zinc/03/70/26/1080037026.db2.gz MOIAJXNAYBMWBT-QGZVFWFLSA-N -1 3 352.442 2.900 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC[C@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001588469057 1080039432 /nfs/dbraw/zinc/03/94/32/1080039432.db2.gz UWTSLAMBSAGBDL-HNNXBMFYSA-N -1 3 371.489 2.759 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC[C@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001588469057 1080039439 /nfs/dbraw/zinc/03/94/39/1080039439.db2.gz UWTSLAMBSAGBDL-HNNXBMFYSA-N -1 3 371.489 2.759 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588484443 1080048571 /nfs/dbraw/zinc/04/85/71/1080048571.db2.gz DDTBDQNYFDGFQK-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588484443 1080048579 /nfs/dbraw/zinc/04/85/79/1080048579.db2.gz DDTBDQNYFDGFQK-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588485089 1080049611 /nfs/dbraw/zinc/04/96/11/1080049611.db2.gz WTCTWCDSYKGGTN-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588485089 1080049623 /nfs/dbraw/zinc/04/96/23/1080049623.db2.gz WTCTWCDSYKGGTN-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588488135 1080052207 /nfs/dbraw/zinc/05/22/07/1080052207.db2.gz XNGUJIYBCMFTGL-INIZCTEOSA-N -1 3 354.458 2.626 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588488135 1080052210 /nfs/dbraw/zinc/05/22/10/1080052210.db2.gz XNGUJIYBCMFTGL-INIZCTEOSA-N -1 3 354.458 2.626 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588491962 1080053410 /nfs/dbraw/zinc/05/34/10/1080053410.db2.gz MPFWENJUMQLFOO-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588491962 1080053418 /nfs/dbraw/zinc/05/34/18/1080053418.db2.gz MPFWENJUMQLFOO-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588492343 1080054986 /nfs/dbraw/zinc/05/49/86/1080054986.db2.gz RCWNIWQSHRGHFF-AUUYWEPGSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588492343 1080054995 /nfs/dbraw/zinc/05/49/95/1080054995.db2.gz RCWNIWQSHRGHFF-AUUYWEPGSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588518787 1080070325 /nfs/dbraw/zinc/07/03/25/1080070325.db2.gz LKACWQCMGRBUCQ-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588518787 1080070333 /nfs/dbraw/zinc/07/03/33/1080070333.db2.gz LKACWQCMGRBUCQ-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588531793 1080081085 /nfs/dbraw/zinc/08/10/85/1080081085.db2.gz IPBOREGOGDQVRD-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588531793 1080081093 /nfs/dbraw/zinc/08/10/93/1080081093.db2.gz IPBOREGOGDQVRD-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588532455 1080082608 /nfs/dbraw/zinc/08/26/08/1080082608.db2.gz WOSSCPKBYLLMBU-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588532455 1080082612 /nfs/dbraw/zinc/08/26/12/1080082612.db2.gz WOSSCPKBYLLMBU-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588539612 1080085706 /nfs/dbraw/zinc/08/57/06/1080085706.db2.gz RICKIPXAOOQNIR-UHFFFAOYSA-N -1 3 365.441 2.693 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588539612 1080085716 /nfs/dbraw/zinc/08/57/16/1080085716.db2.gz RICKIPXAOOQNIR-UHFFFAOYSA-N -1 3 365.441 2.693 20 30 FFEDHM C=CCC(C)(C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001588539510 1080086085 /nfs/dbraw/zinc/08/60/85/1080086085.db2.gz NZVXEOMLKMEGOO-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=CCC(C)(C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001588539510 1080086093 /nfs/dbraw/zinc/08/60/93/1080086093.db2.gz NZVXEOMLKMEGOO-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588545299 1080088629 /nfs/dbraw/zinc/08/86/29/1080088629.db2.gz DXHJVHYFRAQPLY-INIZCTEOSA-N -1 3 363.421 2.793 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588545299 1080088640 /nfs/dbraw/zinc/08/86/40/1080088640.db2.gz DXHJVHYFRAQPLY-INIZCTEOSA-N -1 3 363.421 2.793 20 30 FFEDHM C=CCC1(NC(=O)NCCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001588556691 1080095248 /nfs/dbraw/zinc/09/52/48/1080095248.db2.gz DIIJPPLRYGOMOU-UHFFFAOYSA-N -1 3 354.458 2.987 20 30 FFEDHM C=CCC1(NC(=O)NCCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001588556691 1080095255 /nfs/dbraw/zinc/09/52/55/1080095255.db2.gz DIIJPPLRYGOMOU-UHFFFAOYSA-N -1 3 354.458 2.987 20 30 FFEDHM C=CCCC(=O)N[C@H](CNc1snc(C)c1-c1nnn[n-]1)CC(C)C ZINC001588571783 1080102766 /nfs/dbraw/zinc/10/27/66/1080102766.db2.gz NYFRAJBUWKKYLG-LBPRGKRZSA-N -1 3 363.491 2.541 20 30 FFEDHM C=CCCC[C@H](C(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001588594969 1080116713 /nfs/dbraw/zinc/11/67/13/1080116713.db2.gz WXFZBUKGYYDIER-AWEZNQCLSA-N -1 3 351.414 2.977 20 30 FFEDHM C=CCCCCNC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001588596621 1080117449 /nfs/dbraw/zinc/11/74/49/1080117449.db2.gz XEPXIQZECCDBSN-UHFFFAOYSA-N -1 3 350.220 2.715 20 30 FFEDHM C=CCCCCNC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001588596621 1080117453 /nfs/dbraw/zinc/11/74/53/1080117453.db2.gz XEPXIQZECCDBSN-UHFFFAOYSA-N -1 3 350.220 2.715 20 30 FFEDHM C=CCCO[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588608039 1080121935 /nfs/dbraw/zinc/12/19/35/1080121935.db2.gz CYJBYMJKAUJKCT-OAHLLOKOSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCCO[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588608039 1080121939 /nfs/dbraw/zinc/12/19/39/1080121939.db2.gz CYJBYMJKAUJKCT-OAHLLOKOSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1=Cc2ccccc2OC1 ZINC001588639457 1080132281 /nfs/dbraw/zinc/13/22/81/1080132281.db2.gz RITZNEOIQFZKIG-UHFFFAOYSA-N -1 3 373.416 2.857 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1=Cc2ccccc2OC1 ZINC001588639457 1080132287 /nfs/dbraw/zinc/13/22/87/1080132287.db2.gz RITZNEOIQFZKIG-UHFFFAOYSA-N -1 3 373.416 2.857 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)n1ccc(C)n1 ZINC001588640158 1080133575 /nfs/dbraw/zinc/13/35/75/1080133575.db2.gz MZLSPVHUUSBUGK-HNNXBMFYSA-N -1 3 365.441 2.538 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)n1ccc(C)n1 ZINC001588640158 1080133579 /nfs/dbraw/zinc/13/35/79/1080133579.db2.gz MZLSPVHUUSBUGK-HNNXBMFYSA-N -1 3 365.441 2.538 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1[nH]nc2ccccc21 ZINC001588640423 1080133896 /nfs/dbraw/zinc/13/38/96/1080133896.db2.gz QJYCVLJZOCCGQO-UHFFFAOYSA-N -1 3 373.420 2.500 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sccc1-c1nnn[n-]1 ZINC001588653382 1080143526 /nfs/dbraw/zinc/14/35/26/1080143526.db2.gz FQIAIPAGVRNNMB-UHFFFAOYSA-N -1 3 370.394 2.665 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1sccc1-c1nn[n-]n1 ZINC001588653382 1080143528 /nfs/dbraw/zinc/14/35/28/1080143528.db2.gz FQIAIPAGVRNNMB-UHFFFAOYSA-N -1 3 370.394 2.665 20 30 FFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588659318 1080145661 /nfs/dbraw/zinc/14/56/61/1080145661.db2.gz KPNNGDKINNFJBP-ZDUSSCGKSA-N -1 3 364.409 2.762 20 30 FFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588659318 1080145665 /nfs/dbraw/zinc/14/56/65/1080145665.db2.gz KPNNGDKINNFJBP-ZDUSSCGKSA-N -1 3 364.409 2.762 20 30 FFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)cc1 ZINC001588690187 1080155744 /nfs/dbraw/zinc/15/57/44/1080155744.db2.gz WDRQTSAZZYHZIO-UHFFFAOYSA-N -1 3 372.406 2.508 20 30 FFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)cc1 ZINC001588690187 1080155747 /nfs/dbraw/zinc/15/57/47/1080155747.db2.gz WDRQTSAZZYHZIO-UHFFFAOYSA-N -1 3 372.406 2.508 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC001588689266 1080155799 /nfs/dbraw/zinc/15/57/99/1080155799.db2.gz BYKGCHCQBCMHCY-UHFFFAOYSA-N -1 3 356.411 2.815 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC001588689266 1080155803 /nfs/dbraw/zinc/15/58/03/1080155803.db2.gz BYKGCHCQBCMHCY-UHFFFAOYSA-N -1 3 356.411 2.815 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001588690000 1080156629 /nfs/dbraw/zinc/15/66/29/1080156629.db2.gz SCHJCEBXXGGOJM-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001588690000 1080156635 /nfs/dbraw/zinc/15/66/35/1080156635.db2.gz SCHJCEBXXGGOJM-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=C[C@@H](N[C@@H](C)c1ccc(Br)cc1OCCCO)C(=O)[O-] ZINC001588692446 1080158232 /nfs/dbraw/zinc/15/82/32/1080158232.db2.gz BTUBPTUJBCXDDH-GXFFZTMASA-N -1 3 358.232 2.500 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)Cc1ccco1 ZINC001588695566 1080159617 /nfs/dbraw/zinc/15/96/17/1080159617.db2.gz FSUZVSHHRLEJBS-UHFFFAOYSA-N -1 3 362.397 2.541 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)Cc1ccco1 ZINC001588695566 1080159620 /nfs/dbraw/zinc/15/96/20/1080159620.db2.gz FSUZVSHHRLEJBS-UHFFFAOYSA-N -1 3 362.397 2.541 20 30 FFEDHM C=CC[C@H](CO)NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001588745433 1080178585 /nfs/dbraw/zinc/17/85/85/1080178585.db2.gz ZFHJRFCSISGNPH-LLVKDONJSA-N -1 3 370.236 2.904 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC001588838331 1080214258 /nfs/dbraw/zinc/21/42/58/1080214258.db2.gz CTILEUBCHBHAEC-UHFFFAOYSA-N -1 3 361.442 2.944 20 30 FFEDHM C[C@@H](C#N)CN(C)c1c(Br)cc(Cl)cc1-c1nnn[n-]1 ZINC001588931454 1080270119 /nfs/dbraw/zinc/27/01/19/1080270119.db2.gz ZRQIIQROPAFKSX-ZETCQYMHSA-N -1 3 355.627 2.878 20 30 FFEDHM C[C@@H](C#N)CN(C)c1c(Br)cc(Cl)cc1-c1nn[n-]n1 ZINC001588931454 1080270124 /nfs/dbraw/zinc/27/01/24/1080270124.db2.gz ZRQIIQROPAFKSX-ZETCQYMHSA-N -1 3 355.627 2.878 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnccc1-c1nnn[n-]1 ZINC001588934389 1080270492 /nfs/dbraw/zinc/27/04/92/1080270492.db2.gz KRPXYWNJVZYGHO-NSHDSACASA-N -1 3 365.422 2.766 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnccc1-c1nn[n-]n1 ZINC001588934389 1080270497 /nfs/dbraw/zinc/27/04/97/1080270497.db2.gz KRPXYWNJVZYGHO-NSHDSACASA-N -1 3 365.422 2.766 20 30 FFEDHM CC(C)(C#N)CC(=O)OCc1cc(Br)cc(-c2nnn[n-]2)c1 ZINC001589033959 1080315979 /nfs/dbraw/zinc/31/59/79/1080315979.db2.gz NKAPEGFMVQWZKV-UHFFFAOYSA-N -1 3 364.203 2.612 20 30 FFEDHM CC(C)(C#N)CC(=O)OCc1cc(Br)cc(-c2nn[n-]n2)c1 ZINC001589033959 1080315987 /nfs/dbraw/zinc/31/59/87/1080315987.db2.gz NKAPEGFMVQWZKV-UHFFFAOYSA-N -1 3 364.203 2.612 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001589035938 1080317325 /nfs/dbraw/zinc/31/73/25/1080317325.db2.gz DGOMBZWDHYUBKY-GOSISDBHSA-N -1 3 372.432 2.565 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001589035938 1080317329 /nfs/dbraw/zinc/31/73/29/1080317329.db2.gz DGOMBZWDHYUBKY-GOSISDBHSA-N -1 3 372.432 2.565 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)o2)cc1-c1nnn[n-]1 ZINC001589203280 1080415683 /nfs/dbraw/zinc/41/56/83/1080415683.db2.gz NBUKARDFIXMKIY-UHFFFAOYSA-N -1 3 352.354 2.761 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C#N)o2)cc1-c1nn[n-]n1 ZINC001589203280 1080415687 /nfs/dbraw/zinc/41/56/87/1080415687.db2.gz NBUKARDFIXMKIY-UHFFFAOYSA-N -1 3 352.354 2.761 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC(C)(C)CC#N ZINC001589488381 1080559215 /nfs/dbraw/zinc/55/92/15/1080559215.db2.gz NGWRSWXIUSOONB-OAHLLOKOSA-N -1 3 357.414 2.753 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC(C)(C)CC#N ZINC001589488381 1080559225 /nfs/dbraw/zinc/55/92/25/1080559225.db2.gz NGWRSWXIUSOONB-OAHLLOKOSA-N -1 3 357.414 2.753 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CC[C@@H](C#N)C1 ZINC001589488550 1080559750 /nfs/dbraw/zinc/55/97/50/1080559750.db2.gz STSAQOBRXHCZGV-IOASZLSFSA-N -1 3 355.398 2.506 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CC[C@@H](C#N)C1 ZINC001589488550 1080559761 /nfs/dbraw/zinc/55/97/61/1080559761.db2.gz STSAQOBRXHCZGV-IOASZLSFSA-N -1 3 355.398 2.506 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CC[C@H](C#N)C1 ZINC001589488552 1080560498 /nfs/dbraw/zinc/56/04/98/1080560498.db2.gz STSAQOBRXHCZGV-XEZPLFJOSA-N -1 3 355.398 2.506 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CC[C@H](C#N)C1 ZINC001589488552 1080560506 /nfs/dbraw/zinc/56/05/06/1080560506.db2.gz STSAQOBRXHCZGV-XEZPLFJOSA-N -1 3 355.398 2.506 20 30 FFEDHM C[C@@H](CCc1ccc2c(c1)OCO2)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589835820 1080786555 /nfs/dbraw/zinc/78/65/55/1080786555.db2.gz GVQVUJMYVJZSMJ-ZDUSSCGKSA-N -1 3 364.409 2.540 20 30 FFEDHM C[C@@H](CCc1ccc2c(c1)OCO2)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589835820 1080786562 /nfs/dbraw/zinc/78/65/62/1080786562.db2.gz GVQVUJMYVJZSMJ-ZDUSSCGKSA-N -1 3 364.409 2.540 20 30 FFEDHM C[C@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccc(C#N)cc1 ZINC001589931451 1080873492 /nfs/dbraw/zinc/87/34/92/1080873492.db2.gz LZPRDMCSRMDERY-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccc(C#N)cc1 ZINC001589931451 1080873497 /nfs/dbraw/zinc/87/34/97/1080873497.db2.gz LZPRDMCSRMDERY-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1nnc(-c2ccc(C#N)cc2)o1 ZINC001590023147 1080948884 /nfs/dbraw/zinc/94/88/84/1080948884.db2.gz KYIDVWKAGHKQCD-NSHDSACASA-N -1 3 359.349 2.928 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ncc(C#N)cc1Cl ZINC001590043849 1080970569 /nfs/dbraw/zinc/97/05/69/1080970569.db2.gz QLHNZYZSOYTUSG-JTQLQIEISA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ncc(C#N)cc1Cl ZINC001590043849 1080970572 /nfs/dbraw/zinc/97/05/72/1080970572.db2.gz QLHNZYZSOYTUSG-JTQLQIEISA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001590055057 1080982059 /nfs/dbraw/zinc/98/20/59/1080982059.db2.gz OZDOUUNXPWTDJR-SFHVURJKSA-N -1 3 362.397 2.579 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001590055057 1080982062 /nfs/dbraw/zinc/98/20/62/1080982062.db2.gz OZDOUUNXPWTDJR-SFHVURJKSA-N -1 3 362.397 2.579 20 30 FFEDHM C[C@@H]1CC[C@H](OC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC001590241754 1081116820 /nfs/dbraw/zinc/11/68/20/1081116820.db2.gz XYBZQVYTLAGOME-KFZJALRRSA-N -1 3 353.426 2.917 20 30 FFEDHM C[C@@H]1CC[C@H](OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC001590241754 1081116822 /nfs/dbraw/zinc/11/68/22/1081116822.db2.gz XYBZQVYTLAGOME-KFZJALRRSA-N -1 3 353.426 2.917 20 30 FFEDHM C[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC001590285207 1081140058 /nfs/dbraw/zinc/14/00/58/1081140058.db2.gz PLWVGHCKWOZOLY-KSSFIOAISA-N -1 3 372.432 2.695 20 30 FFEDHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(C)c1 ZINC000272973752 252179757 /nfs/dbraw/zinc/17/97/57/252179757.db2.gz HWGTUEHXMBIQOF-UHFFFAOYSA-N -1 3 371.462 2.542 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)cc1C#N ZINC000331150664 258178493 /nfs/dbraw/zinc/17/84/93/258178493.db2.gz OHXREYXQNXKYHW-SMDDNHRTSA-N -1 3 361.389 2.909 20 30 FFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427763577 514305730 /nfs/dbraw/zinc/30/57/30/514305730.db2.gz JZMWVAQNLYDYEM-GFCCVEGCSA-N -1 3 352.309 2.695 20 30 FFEDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000032435376 506253123 /nfs/dbraw/zinc/25/31/23/506253123.db2.gz NZYLBONXFJNFBY-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065817024 506372628 /nfs/dbraw/zinc/37/26/28/506372628.db2.gz DULIYZVUTBRIGS-UHFFFAOYSA-N -1 3 365.389 2.799 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055465753 506759421 /nfs/dbraw/zinc/75/94/21/506759421.db2.gz LZAJYOAGHPPPSF-GFCCVEGCSA-N -1 3 368.393 2.582 20 30 FFEDHM CCOc1ccccc1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000067849804 507027038 /nfs/dbraw/zinc/02/70/38/507027038.db2.gz NWLQQNYZRNCTPU-UHFFFAOYSA-N -1 3 367.449 2.554 20 30 FFEDHM CCOc1cc(F)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000046519971 507149521 /nfs/dbraw/zinc/14/95/21/507149521.db2.gz VRGCOHXYVGCFPL-UHFFFAOYSA-N -1 3 357.385 2.973 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000047189476 507280099 /nfs/dbraw/zinc/28/00/99/507280099.db2.gz UQJKCVBDLBITKL-ACJLOTCBSA-N -1 3 359.470 2.508 20 30 FFEDHM C=C(C)CN1CCC(Nc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000068702343 507304013 /nfs/dbraw/zinc/30/40/13/507304013.db2.gz YUKHPBQNVKXDPF-UHFFFAOYSA-N -1 3 353.470 2.847 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCN(C)c2ccccc21 ZINC000078150788 507840294 /nfs/dbraw/zinc/84/02/94/507840294.db2.gz CFHPIZQYDHOHCX-UHFFFAOYSA-N -1 3 364.449 2.669 20 30 FFEDHM CS(=O)(=O)Cc1c2ccccc2oc1C([O-])=C(C#N)c1ccccn1 ZINC000102595590 508278193 /nfs/dbraw/zinc/27/81/93/508278193.db2.gz IBKSKGZJUOKWBP-ZDUSSCGKSA-N -1 3 354.387 2.862 20 30 FFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CN1Cc1ccccc1 ZINC000128122021 508550616 /nfs/dbraw/zinc/55/06/16/508550616.db2.gz SLCNQBWZFYEBEO-YOEHRIQHSA-N -1 3 373.453 2.639 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1ccc(F)cc1 ZINC000122653510 508567424 /nfs/dbraw/zinc/56/74/24/508567424.db2.gz CWGNMEJTOSVBPL-LLVKDONJSA-N -1 3 352.362 2.582 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000122794276 508587104 /nfs/dbraw/zinc/58/71/04/508587104.db2.gz OGDUOOYUUXFFNF-UHFFFAOYSA-N -1 3 371.387 2.659 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000157778745 508610621 /nfs/dbraw/zinc/61/06/21/508610621.db2.gz PNAHTOOOSUOIAN-INIZCTEOSA-N -1 3 371.418 2.766 20 30 FFEDHM N#CC(=C([O-])c1ccc(Br)cc1-n1cncn1)c1ccccn1 ZINC000136538883 508699824 /nfs/dbraw/zinc/69/98/24/508699824.db2.gz FOXGQWKROWEDCD-ZDUSSCGKSA-N -1 3 368.194 2.915 20 30 FFEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000123711571 508728304 /nfs/dbraw/zinc/72/83/04/508728304.db2.gz HJIKPYGBBCSEHD-UHFFFAOYSA-N -1 3 350.783 2.784 20 30 FFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)NCCOc1ccc(C#N)cc1)c2=O ZINC000154751677 508848124 /nfs/dbraw/zinc/84/81/24/508848124.db2.gz IVRDTLDZBWLURQ-UHFFFAOYSA-N -1 3 365.364 2.656 20 30 FFEDHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000124963423 508911274 /nfs/dbraw/zinc/91/12/74/508911274.db2.gz NKSLLMBHAVUMMQ-NWDGAFQWSA-N -1 3 369.468 2.809 20 30 FFEDHM N#Cc1ccsc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000151229686 508982608 /nfs/dbraw/zinc/98/26/08/508982608.db2.gz ACPGGQYRQQSPOZ-UHFFFAOYSA-N -1 3 355.419 2.816 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2nc3ccccc3s2)c1 ZINC000120459334 509001361 /nfs/dbraw/zinc/00/13/61/509001361.db2.gz OSNDQGCUIDFKCK-UHFFFAOYSA-N -1 3 361.423 2.927 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)[nH]1 ZINC000126517760 509089364 /nfs/dbraw/zinc/08/93/64/509089364.db2.gz GHLGZZXSRULNQC-UHFFFAOYSA-N -1 3 372.328 2.529 20 30 FFEDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000191791480 509182466 /nfs/dbraw/zinc/18/24/66/509182466.db2.gz DKYOJVWOBWAGAQ-MEDUHNTESA-N -1 3 351.428 2.962 20 30 FFEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1nc(C)cs1 ZINC000185763049 509343448 /nfs/dbraw/zinc/34/34/48/509343448.db2.gz RWGAJGXEZIGXMC-INIZCTEOSA-N -1 3 365.480 2.936 20 30 FFEDHM O=S(=O)([N-]CC(F)(F)C(F)F)c1cccc(OC(F)(F)F)c1 ZINC000192134978 509363959 /nfs/dbraw/zinc/36/39/59/509363959.db2.gz WRBGZWBVLLSRHD-UHFFFAOYSA-N -1 3 355.231 2.764 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1Cc1ccc(F)cc1F ZINC000192195871 509398127 /nfs/dbraw/zinc/39/81/27/509398127.db2.gz ODHXZZMCQLWSHZ-AWEZNQCLSA-N -1 3 353.332 2.798 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)CC2CC2)c1 ZINC000179480341 509469672 /nfs/dbraw/zinc/46/96/72/509469672.db2.gz NITWMENSMWIPKU-UHFFFAOYSA-N -1 3 368.393 2.707 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)c1 ZINC000186409051 509695115 /nfs/dbraw/zinc/69/51/15/509695115.db2.gz JHFSZJGWIJSFFZ-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccc(F)c1F ZINC000264867582 509747781 /nfs/dbraw/zinc/74/77/81/509747781.db2.gz QEGDDYGYEDSGET-UHFFFAOYSA-N -1 3 359.376 2.845 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000176969790 509789332 /nfs/dbraw/zinc/78/93/32/509789332.db2.gz UVWKNVPZTHPTAZ-IBGZPJMESA-N -1 3 369.446 2.631 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(O[C@H]2CCOC2)c1 ZINC000183451342 509798726 /nfs/dbraw/zinc/79/87/26/509798726.db2.gz ZVHIZMGYMZQATN-LSDHHAIUSA-N -1 3 362.389 2.626 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1F ZINC000183644172 509902902 /nfs/dbraw/zinc/90/29/02/509902902.db2.gz GKXZXWUPDZPIEC-UHFFFAOYSA-N -1 3 368.817 2.880 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000183669750 509917025 /nfs/dbraw/zinc/91/70/25/509917025.db2.gz BFNUVTJXOZUWKQ-GOSISDBHSA-N -1 3 356.447 2.610 20 30 FFEDHM COCc1nc(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)n[n-]1 ZINC000268503878 509974546 /nfs/dbraw/zinc/97/45/46/509974546.db2.gz TWDFAVIRUJUQQO-UHFFFAOYSA-N -1 3 359.455 2.607 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000184325133 510262217 /nfs/dbraw/zinc/26/22/17/510262217.db2.gz CFYQALABOHNRHH-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM C=CC[C@@H](C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000187485542 510294262 /nfs/dbraw/zinc/29/42/62/510294262.db2.gz OJWNDNUAKIIGJW-MSOLQXFVSA-N -1 3 363.417 2.736 20 30 FFEDHM C=CC[C@@H](C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000187811920 510449069 /nfs/dbraw/zinc/44/90/69/510449069.db2.gz NTYXSPAATLEHOO-OAHLLOKOSA-N -1 3 364.492 2.632 20 30 FFEDHM N#CC(=C([O-])c1ccc2nncn2c1)c1nc2ccccc2n1C(F)F ZINC000172021972 510504784 /nfs/dbraw/zinc/50/47/84/510504784.db2.gz NTIATNMZFWOREH-LLVKDONJSA-N -1 3 352.304 2.964 20 30 FFEDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000194756818 510512625 /nfs/dbraw/zinc/51/26/25/510512625.db2.gz PXPJFRZRDLFSCI-UHFFFAOYSA-N -1 3 368.393 2.960 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000178538590 510652756 /nfs/dbraw/zinc/65/27/56/510652756.db2.gz IZTCSYMQTRYDMP-UHFFFAOYSA-N -1 3 364.405 2.562 20 30 FFEDHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185083588 510675864 /nfs/dbraw/zinc/67/58/64/510675864.db2.gz PJCKDCFYDIBZNK-MZFXBISCSA-N -1 3 374.915 2.570 20 30 FFEDHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000182019588 510714185 /nfs/dbraw/zinc/71/41/85/510714185.db2.gz DAUWMXJVNHBPNJ-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185389661 510832294 /nfs/dbraw/zinc/83/22/94/510832294.db2.gz MPJMQJBZVZLSSZ-VIFPVBQESA-N -1 3 353.831 2.899 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)[C@H]1OCCc2sccc21 ZINC000330205532 510938047 /nfs/dbraw/zinc/93/80/47/510938047.db2.gz DNNDJUBLYNRDGB-SWLSCSKDSA-N -1 3 354.497 2.754 20 30 FFEDHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)C2=CCCCC2)cn1 ZINC000331088928 511041259 /nfs/dbraw/zinc/04/12/59/511041259.db2.gz UFUFQPBACXADTF-UHFFFAOYSA-N -1 3 351.472 2.821 20 30 FFEDHM C[C@@H](CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)N1CCC(C)CC1 ZINC000331159006 511045709 /nfs/dbraw/zinc/04/57/09/511045709.db2.gz JVSOAEOOQUNHKJ-JTQLQIEISA-N -1 3 365.425 2.511 20 30 FFEDHM COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(CCC#N)CCC(C)C ZINC000287550757 511052840 /nfs/dbraw/zinc/05/28/40/511052840.db2.gz AVZMLFWWHFWPJL-UHFFFAOYSA-N -1 3 365.455 2.570 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000294811052 511185344 /nfs/dbraw/zinc/18/53/44/511185344.db2.gz FDVHAUCIZBUGMD-AWEZNQCLSA-N -1 3 358.335 2.783 20 30 FFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)o1 ZINC000292052401 511446900 /nfs/dbraw/zinc/44/69/00/511446900.db2.gz NTCIDLQVZSWRHW-UHFFFAOYSA-N -1 3 353.831 2.939 20 30 FFEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295854734 511537466 /nfs/dbraw/zinc/53/74/66/511537466.db2.gz XMGCEVPKFIASNS-QWRGUYRKSA-N -1 3 373.272 2.818 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc(N3CCCC3=O)c2)c1[O-] ZINC000299259567 511569574 /nfs/dbraw/zinc/56/95/74/511569574.db2.gz FPXUDQFMVCANTR-YSRRJJCPSA-N -1 3 353.422 2.895 20 30 FFEDHM C#CCCN1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000299490988 511657799 /nfs/dbraw/zinc/65/77/99/511657799.db2.gz AUAWNDOAYLMTKP-UHFFFAOYSA-N -1 3 368.462 2.798 20 30 FFEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C#N)c(Br)c1 ZINC000296919713 511950604 /nfs/dbraw/zinc/95/06/04/511950604.db2.gz FQOYKBSCQPXZEJ-UHFFFAOYSA-N -1 3 370.203 2.716 20 30 FFEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000296919713 511950609 /nfs/dbraw/zinc/95/06/09/511950609.db2.gz FQOYKBSCQPXZEJ-UHFFFAOYSA-N -1 3 370.203 2.716 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000284970865 511951422 /nfs/dbraw/zinc/95/14/22/511951422.db2.gz CZTLWMUVHVFRFI-SNVBAGLBSA-N -1 3 369.331 2.743 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)CC2(C#N)CCCC2)OCCc2sccc21 ZINC000329495650 512056795 /nfs/dbraw/zinc/05/67/95/512056795.db2.gz FRELSJBFOURLLK-HNNXBMFYSA-N -1 3 354.497 2.539 20 30 FFEDHM Cc1n[nH]cc1C1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000375967263 512593057 /nfs/dbraw/zinc/59/30/57/512593057.db2.gz BIBWOSUOXNLIHY-UHFFFAOYSA-N -1 3 367.453 2.646 20 30 FFEDHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NC1CC(F)(F)C1 ZINC000411462506 512648393 /nfs/dbraw/zinc/64/83/93/512648393.db2.gz KLUWIBGKTWHWOU-SNVBAGLBSA-N -1 3 372.240 2.598 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)Nc3nnc(-c4ccco4)[n-]3)C2)c(F)c1 ZINC000376190448 512702605 /nfs/dbraw/zinc/70/26/05/512702605.db2.gz VQAUYZXJFKYEPE-GFCCVEGCSA-N -1 3 366.356 2.540 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)Nc3nc(-c4ccco4)n[n-]3)C2)c(F)c1 ZINC000376190448 512702609 /nfs/dbraw/zinc/70/26/09/512702609.db2.gz VQAUYZXJFKYEPE-GFCCVEGCSA-N -1 3 366.356 2.540 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)Nc3n[n-]c(-c4ccco4)n3)C2)c(F)c1 ZINC000376190448 512702611 /nfs/dbraw/zinc/70/26/11/512702611.db2.gz VQAUYZXJFKYEPE-GFCCVEGCSA-N -1 3 366.356 2.540 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000374450683 512838931 /nfs/dbraw/zinc/83/89/31/512838931.db2.gz HAPZUQXKRUXBLM-OAHLLOKOSA-N -1 3 354.859 2.839 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC000368347309 512908579 /nfs/dbraw/zinc/90/85/79/512908579.db2.gz JTAJDPKCOOMNGT-HNNXBMFYSA-N -1 3 373.359 2.736 20 30 FFEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000421165835 513130130 /nfs/dbraw/zinc/13/01/30/513130130.db2.gz NWJDFGLYKZAKAS-MRXNPFEDSA-N -1 3 359.451 2.599 20 30 FFEDHM N#C[C@@H]1CC[C@@H](Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)C1 ZINC000450782068 513338907 /nfs/dbraw/zinc/33/89/07/513338907.db2.gz VXVZKXDUFDQNNK-BXKDBHETSA-N -1 3 369.450 2.889 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)C)C3)nn1 ZINC000415740090 513404771 /nfs/dbraw/zinc/40/47/71/513404771.db2.gz HZMOXBPNVXLFIL-LBPRGKRZSA-N -1 3 373.482 2.871 20 30 FFEDHM COCCOc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429580407 513416342 /nfs/dbraw/zinc/41/63/42/513416342.db2.gz UIEKNNFSAUSYOD-HNNXBMFYSA-N -1 3 350.378 2.782 20 30 FFEDHM CCOC(=O)c1ccc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000450993539 513444198 /nfs/dbraw/zinc/44/41/98/513444198.db2.gz VYCMJSANUJVCHS-KDOFPFPSSA-N -1 3 364.467 2.755 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000429982043 513519661 /nfs/dbraw/zinc/51/96/61/513519661.db2.gz MWLQGGOCKYMGIY-UHFFFAOYSA-N -1 3 364.448 2.660 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000435424007 513579312 /nfs/dbraw/zinc/57/93/12/513579312.db2.gz TUUTWNSCEASGBR-UHFFFAOYSA-N -1 3 373.253 2.566 20 30 FFEDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccccc2SCCC#N)CC1 ZINC000436473995 513864087 /nfs/dbraw/zinc/86/40/87/513864087.db2.gz BDHHOBDTJVGSKP-UHFFFAOYSA-N -1 3 368.480 2.920 20 30 FFEDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451656862 513893393 /nfs/dbraw/zinc/89/33/93/513893393.db2.gz VAPJSJUTYQHOFX-VIFPVBQESA-N -1 3 370.780 2.847 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Cc1ccccc1 ZINC000451671160 513902018 /nfs/dbraw/zinc/90/20/18/513902018.db2.gz LEYQGRZVSANZNQ-KRWDZBQOSA-N -1 3 350.484 2.638 20 30 FFEDHM COC(=O)[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451694572 513915624 /nfs/dbraw/zinc/91/56/24/513915624.db2.gz LMOLWFKCQVOSOZ-OCCSQVGLSA-N -1 3 370.858 2.612 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)c(F)cc1F ZINC000448871043 513943998 /nfs/dbraw/zinc/94/39/98/513943998.db2.gz FULPHKHXIPDSQG-VFZGTOFNSA-N -1 3 357.382 2.605 20 30 FFEDHM C[C@@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443350342 513945407 /nfs/dbraw/zinc/94/54/07/513945407.db2.gz XIPYRLIHUVNGFC-YPMHNXCESA-N -1 3 351.428 2.960 20 30 FFEDHM N#Cc1ccc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000436704295 513949775 /nfs/dbraw/zinc/94/97/75/513949775.db2.gz LDUJXOPQDVNYFF-UHFFFAOYSA-N -1 3 366.377 2.889 20 30 FFEDHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000451811632 513994820 /nfs/dbraw/zinc/99/48/20/513994820.db2.gz BKALCGOKEPIKRZ-SWLSCSKDSA-N -1 3 356.875 2.941 20 30 FFEDHM N#CC1(NC(=O)c2c([O-])cccc2F)CCN(Cc2ccccc2)CC1 ZINC000436893954 514024041 /nfs/dbraw/zinc/02/40/41/514024041.db2.gz PSBNQDFVNDTMMI-UHFFFAOYSA-N -1 3 353.397 2.819 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1cc(Br)cc(C(=O)OC)c1C ZINC000416959554 514067986 /nfs/dbraw/zinc/06/79/86/514067986.db2.gz VAVUGHVEUVFECL-UHFFFAOYSA-N -1 3 362.245 2.862 20 30 FFEDHM CC1(C)CCCN(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443959865 514082869 /nfs/dbraw/zinc/08/28/69/514082869.db2.gz MYKSQFVSHPWUND-UHFFFAOYSA-N -1 3 355.891 2.612 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCCN(C)C)c(C)c1 ZINC000414389023 514085574 /nfs/dbraw/zinc/08/55/74/514085574.db2.gz OHLFYFCGUQDIAV-UHFFFAOYSA-N -1 3 373.478 2.916 20 30 FFEDHM C=CCN(C)C(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1 ZINC000432809930 514291540 /nfs/dbraw/zinc/29/15/40/514291540.db2.gz RUBCHPMMQJPKPB-UHFFFAOYSA-N -1 3 360.439 2.673 20 30 FFEDHM Cn1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1C#N ZINC000417555166 514406815 /nfs/dbraw/zinc/40/68/15/514406815.db2.gz LHFBDFSZOWQHDQ-HNNXBMFYSA-N -1 3 362.227 2.965 20 30 FFEDHM COc1ccc2c(c1)CCC[C@]2(NCc1ccc(C#N)c(OC)c1)C(=O)[O-] ZINC000417575270 514415984 /nfs/dbraw/zinc/41/59/84/514415984.db2.gz FLNJQMJHHJATGK-OAQYLSRUSA-N -1 3 366.417 2.981 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCOc1ccc2ccccc2c1 ZINC000428389166 514464178 /nfs/dbraw/zinc/46/41/78/514464178.db2.gz KVFJSRCQIJMMCP-UHFFFAOYSA-N -1 3 367.430 2.854 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000428400275 514466695 /nfs/dbraw/zinc/46/66/95/514466695.db2.gz CUMCRQFWBHJMDT-CYBMUJFWSA-N -1 3 363.826 2.799 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461110862 514516406 /nfs/dbraw/zinc/51/64/06/514516406.db2.gz IQJXBOXPUFFYPF-CYBMUJFWSA-N -1 3 359.289 2.849 20 30 FFEDHM CCc1ccc([O-])c(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000461201412 514538761 /nfs/dbraw/zinc/53/87/61/514538761.db2.gz WZOXEINEKTZZQV-UHFFFAOYSA-N -1 3 356.451 2.554 20 30 FFEDHM C=CCC1(CNC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CCCC1 ZINC000455483113 514550193 /nfs/dbraw/zinc/55/01/93/514550193.db2.gz UKXTWELRVATOJN-UHFFFAOYSA-N -1 3 371.528 2.592 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000508083452 514660641 /nfs/dbraw/zinc/66/06/41/514660641.db2.gz KIALDEVGPRWLHX-GFCCVEGCSA-N -1 3 370.780 2.956 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCCC1 ZINC000461792122 514740503 /nfs/dbraw/zinc/74/05/03/514740503.db2.gz RURONDDXOMUEQK-ZDUSSCGKSA-N -1 3 356.875 2.679 20 30 FFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000489210984 514754446 /nfs/dbraw/zinc/75/44/46/514754446.db2.gz CRYPPRXFQAETHS-UHFFFAOYSA-N -1 3 353.444 2.930 20 30 FFEDHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475772183 514801867 /nfs/dbraw/zinc/80/18/67/514801867.db2.gz NTKUYOAROPWXAR-LLVKDONJSA-N -1 3 350.827 2.827 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000480112122 514845439 /nfs/dbraw/zinc/84/54/39/514845439.db2.gz UCJXARIUAWTZRL-QWHCGFSZSA-N -1 3 357.439 2.744 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000456025969 514910514 /nfs/dbraw/zinc/91/05/14/514910514.db2.gz PVFWVBUHQJVPAK-UHFFFAOYSA-N -1 3 351.332 2.580 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000456025969 514910528 /nfs/dbraw/zinc/91/05/28/514910528.db2.gz PVFWVBUHQJVPAK-UHFFFAOYSA-N -1 3 351.332 2.580 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000456025969 514910539 /nfs/dbraw/zinc/91/05/39/514910539.db2.gz PVFWVBUHQJVPAK-UHFFFAOYSA-N -1 3 351.332 2.580 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1c(C)nn(C)c1C ZINC000476301924 514990526 /nfs/dbraw/zinc/99/05/26/514990526.db2.gz DQMTVDFZYDQJBP-CQSZACIVSA-N -1 3 366.874 2.992 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)cs1 ZINC000476314184 514998401 /nfs/dbraw/zinc/99/84/01/514998401.db2.gz LQODKDGNCRJBPN-LBPRGKRZSA-N -1 3 357.501 2.744 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(Br)cc1 ZINC000504002613 515194332 /nfs/dbraw/zinc/19/43/32/515194332.db2.gz AWFDCLIIQMTCNR-ZDUSSCGKSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(Br)cc1 ZINC000504002613 515194341 /nfs/dbraw/zinc/19/43/41/515194341.db2.gz AWFDCLIIQMTCNR-ZDUSSCGKSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Br)cc1 ZINC000504002613 515194345 /nfs/dbraw/zinc/19/43/45/515194345.db2.gz AWFDCLIIQMTCNR-ZDUSSCGKSA-N -1 3 374.173 2.854 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccnc2c1nnn2C ZINC000509479786 515197066 /nfs/dbraw/zinc/19/70/66/515197066.db2.gz NYTXPCMCVBHMMP-NSHDSACASA-N -1 3 352.423 2.867 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1cc(C)cc(C)c1 ZINC000468811005 515531063 /nfs/dbraw/zinc/53/10/63/515531063.db2.gz DNXXNMRNYCUQDI-GOSISDBHSA-N -1 3 372.446 2.676 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1 ZINC000464416380 515814839 /nfs/dbraw/zinc/81/48/39/515814839.db2.gz ICGMTHLZRLAWQI-MRXNPFEDSA-N -1 3 356.419 2.609 20 30 FFEDHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000484137102 516303342 /nfs/dbraw/zinc/30/33/42/516303342.db2.gz RUZUXAPBDBNBIN-ZDUSSCGKSA-N -1 3 369.377 2.614 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2cc(S(C)(=O)=O)cc(C)c2C)nc(C)n1 ZINC000535406090 516341280 /nfs/dbraw/zinc/34/12/80/516341280.db2.gz ZUBWKDCMAKDJKA-INIZCTEOSA-N -1 3 357.435 2.604 20 30 FFEDHM CCCN(CCN1CCCCC1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000557630910 516345933 /nfs/dbraw/zinc/34/59/33/516345933.db2.gz SPTLBZBMTSQLSE-UHFFFAOYSA-N -1 3 362.499 2.719 20 30 FFEDHM COC(=O)[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000535455023 516360744 /nfs/dbraw/zinc/36/07/44/516360744.db2.gz RJNVXWDDJRGOMM-XJKSGUPXSA-N -1 3 370.858 2.612 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000539952035 516369022 /nfs/dbraw/zinc/36/90/22/516369022.db2.gz FLGCWYXTTWIIEG-UHFFFAOYSA-N -1 3 360.277 2.985 20 30 FFEDHM CCC1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCOCC1 ZINC000535615926 516423381 /nfs/dbraw/zinc/42/33/81/516423381.db2.gz GHHYLMGXKZARHG-UHFFFAOYSA-N -1 3 362.373 2.815 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)sc1Cl ZINC000551202553 516604195 /nfs/dbraw/zinc/60/41/95/516604195.db2.gz FDWKTWIOVGHKRU-UHFFFAOYSA-N -1 3 354.840 2.743 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000558135615 516610455 /nfs/dbraw/zinc/61/04/55/516610455.db2.gz RSCMFJIQUZKQBW-LBPRGKRZSA-N -1 3 368.256 2.968 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000561502356 516619790 /nfs/dbraw/zinc/61/97/90/516619790.db2.gz WHWNRQLZFSXFHA-UHFFFAOYSA-N -1 3 359.366 2.922 20 30 FFEDHM COc1cc(=NC(=O)c2cccc(COc3ccccc3C#N)c2)[n-]n1C ZINC000548144513 516792290 /nfs/dbraw/zinc/79/22/90/516792290.db2.gz YANNAPOAFTYWBU-UHFFFAOYSA-N -1 3 362.389 2.554 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)c1 ZINC000555413559 516915458 /nfs/dbraw/zinc/91/54/58/516915458.db2.gz SNUZCTVNVUOGRK-AWEZNQCLSA-N -1 3 356.875 2.679 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)c(F)c1 ZINC000555418250 516919063 /nfs/dbraw/zinc/91/90/63/516919063.db2.gz IQXSDJGYLBNVNP-UHFFFAOYSA-N -1 3 374.315 2.916 20 30 FFEDHM CCN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000525260219 516983164 /nfs/dbraw/zinc/98/31/64/516983164.db2.gz GLYDNVODYRGAMF-CQSZACIVSA-N -1 3 351.406 2.603 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)C1 ZINC000519522495 517023544 /nfs/dbraw/zinc/02/35/44/517023544.db2.gz UCAXMRFMODTKGR-JQWIXIFHSA-N -1 3 367.858 2.585 20 30 FFEDHM CCOc1cc(C[N-]S(=O)(=O)c2ccc(C#N)o2)ccc1OC(F)F ZINC000514828815 517076942 /nfs/dbraw/zinc/07/69/42/517076942.db2.gz KMRQIIZKNARTDC-UHFFFAOYSA-N -1 3 372.349 2.630 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCOCC2)c(F)c1 ZINC000562550344 517186723 /nfs/dbraw/zinc/18/67/23/517186723.db2.gz USHFZNLNVLWSSZ-UHFFFAOYSA-N -1 3 374.437 2.768 20 30 FFEDHM Cc1cc(C#N)ccc1-c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000545528539 517281551 /nfs/dbraw/zinc/28/15/51/517281551.db2.gz SKAXRIHIQLLYNK-FQEVSTJZSA-N -1 3 373.372 2.638 20 30 FFEDHM Cc1ncc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c(=O)[n-]1 ZINC000542387572 517536033 /nfs/dbraw/zinc/53/60/33/517536033.db2.gz ZLVYWDSMNHULKJ-UHFFFAOYSA-N -1 3 374.400 2.871 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@@]1(C#N)CCC[C@H](C)C1)c2=O ZINC000538323631 517564893 /nfs/dbraw/zinc/56/48/93/517564893.db2.gz QEVBESIDHQBLRK-WLRWDXFRSA-N -1 3 357.385 2.878 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000542819723 517764604 /nfs/dbraw/zinc/76/46/04/517764604.db2.gz KVKARZGCPSIJSR-ZDUSSCGKSA-N -1 3 352.268 2.991 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000530729414 517946967 /nfs/dbraw/zinc/94/69/67/517946967.db2.gz HUYKRUHDZWOFDU-HNNXBMFYSA-N -1 3 352.362 2.502 20 30 FFEDHM N#CC(=C([O-])c1cccc2c1OC(F)(F)O2)c1nnc2n1CCCCC2 ZINC000563548372 517975880 /nfs/dbraw/zinc/97/58/80/517975880.db2.gz DMDOSDRVCLUYSD-NSHDSACASA-N -1 3 360.320 2.816 20 30 FFEDHM N#CC(=C([O-])c1cccc2c1OC(F)(F)O2)c1nnc2n1CCCCC2 ZINC000563548371 517976221 /nfs/dbraw/zinc/97/62/21/517976221.db2.gz DMDOSDRVCLUYSD-LLVKDONJSA-N -1 3 360.320 2.816 20 30 FFEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C3(c4cccc(C#N)c4)CC3)cn21 ZINC000517018612 517979713 /nfs/dbraw/zinc/97/97/13/517979713.db2.gz HBVGTVCTENCXBD-CYBMUJFWSA-N -1 3 356.451 2.620 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539337902 518000753 /nfs/dbraw/zinc/00/07/53/518000753.db2.gz ZCLZNAOJTMCQLO-ZDUSSCGKSA-N -1 3 368.393 2.994 20 30 FFEDHM Cc1ncc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)c(=O)[n-]1 ZINC000543315344 518019662 /nfs/dbraw/zinc/01/96/62/518019662.db2.gz FWSSAWFYSLHRBL-UHFFFAOYSA-N -1 3 374.400 2.871 20 30 FFEDHM Cc1nc(SCC(=O)N=c2cc3ccccn3[n-]2)c(C#N)c(C)c1C ZINC000557533608 518060676 /nfs/dbraw/zinc/06/06/76/518060676.db2.gz MMAWXEBESHQQHE-UHFFFAOYSA-N -1 3 351.435 2.679 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000535051716 518137729 /nfs/dbraw/zinc/13/77/29/518137729.db2.gz AKXTYPDNSPZBAX-PEGIJTEDSA-N -1 3 362.373 2.811 20 30 FFEDHM COc1ccc(-c2nc(C(=O)[N-]c3ccncc3C#N)cs2)cc1OC ZINC000522719538 518154459 /nfs/dbraw/zinc/15/44/59/518154459.db2.gz UPMJPJXKJVPSKD-UHFFFAOYSA-N -1 3 366.402 2.768 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000581306682 518221454 /nfs/dbraw/zinc/22/14/54/518221454.db2.gz SLODPSADABWUMV-UWVGGRQHSA-N -1 3 366.302 2.688 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000581381258 518258823 /nfs/dbraw/zinc/25/88/23/518258823.db2.gz VVGOTLVSUQQHBQ-QMMMGPOBSA-N -1 3 365.224 2.567 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]1c1ccccc1 ZINC000581896853 518492090 /nfs/dbraw/zinc/49/20/90/518492090.db2.gz BGDGOCYEZXHVLW-YJBOKZPZSA-N -1 3 371.418 2.939 20 30 FFEDHM C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000573154764 518530771 /nfs/dbraw/zinc/53/07/71/518530771.db2.gz OLYGYZGEIVWPDC-QWHZDKJVSA-N -1 3 373.478 2.586 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000586756109 518630040 /nfs/dbraw/zinc/63/00/40/518630040.db2.gz RPUCBANIMAZSKK-LBPRGKRZSA-N -1 3 368.402 2.650 20 30 FFEDHM C[C@H]1CC([N-]S(=O)(=O)c2cccc(Br)c2C#N)C[C@H](C)O1 ZINC000588121488 518729145 /nfs/dbraw/zinc/72/91/45/518729145.db2.gz HJVBOAYGNRLTRD-UWVGGRQHSA-N -1 3 373.272 2.555 20 30 FFEDHM N#CCCC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000567901656 518777087 /nfs/dbraw/zinc/77/70/87/518777087.db2.gz QQGTVHRVBLMIJO-KRWDZBQOSA-N -1 3 355.438 2.539 20 30 FFEDHM Cc1[n-][nH]c(=NC(=O)c2ccccc2OCCN2CCCC[C@@H]2C)c1C#N ZINC000588718063 518814781 /nfs/dbraw/zinc/81/47/81/518814781.db2.gz RCUOSRUITGBSFD-AWEZNQCLSA-N -1 3 367.453 2.517 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(c2ccccc2F)C1 ZINC000568460119 519046677 /nfs/dbraw/zinc/04/66/77/519046677.db2.gz KRBDEZNABLAEFD-UHFFFAOYSA-N -1 3 353.397 2.973 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn([C@H]4CCOC4)nn3)sc2C1 ZINC000571829091 519295274 /nfs/dbraw/zinc/29/52/74/519295274.db2.gz IQQHZIDGZUAPPQ-MNOVXSKESA-N -1 3 357.439 2.550 20 30 FFEDHM CO[C@@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000569564535 519612564 /nfs/dbraw/zinc/61/25/64/519612564.db2.gz QYPWYBDTOIFSLQ-IAGOWNOFSA-N -1 3 357.454 2.624 20 30 FFEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](N)CCCCC#N)[nH][n-]1 ZINC000594466607 519979613 /nfs/dbraw/zinc/97/96/13/519979613.db2.gz BCCWMEYLTUTEJJ-CYBMUJFWSA-N -1 3 361.833 2.510 20 30 FFEDHM CCOC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C1CCCCCC1 ZINC000594481444 519990938 /nfs/dbraw/zinc/99/09/38/519990938.db2.gz BUGBYVRKNGNXJX-OAHLLOKOSA-N -1 3 358.504 2.748 20 30 FFEDHM N#CCn1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc2ccccc21 ZINC000591862595 520064926 /nfs/dbraw/zinc/06/49/26/520064926.db2.gz XQLGHOPNRAPJCU-OAHLLOKOSA-N -1 3 358.405 2.973 20 30 FFEDHM C=CCCC1(C[N-]S(=O)(=O)c2cccnc2C(=O)OC)CCCC1 ZINC000594799336 520164583 /nfs/dbraw/zinc/16/45/83/520164583.db2.gz SMAIECGKEWXDNU-UHFFFAOYSA-N -1 3 352.456 2.673 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OC(C)(C)C ZINC000592099325 520182581 /nfs/dbraw/zinc/18/25/81/520182581.db2.gz FPCUVPOAKWWRGH-LBPRGKRZSA-N -1 3 358.847 2.610 20 30 FFEDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1 ZINC000594851186 520187179 /nfs/dbraw/zinc/18/71/79/520187179.db2.gz HBSVENLNZYJAPL-MFKMUULPSA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(CO)CCCC(C)(C)C1 ZINC000600369003 520228211 /nfs/dbraw/zinc/22/82/11/520228211.db2.gz ZPPUGUGGZJZEAK-FQEVSTJZSA-N -1 3 359.470 2.656 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000617039731 520298353 /nfs/dbraw/zinc/29/83/53/520298353.db2.gz KYDWCIUTUVXXLF-JOTOCRJQSA-N -1 3 355.438 2.606 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600529432 520308216 /nfs/dbraw/zinc/30/82/16/520308216.db2.gz NNBIMQJISSMLAJ-CYBMUJFWSA-N -1 3 351.403 2.575 20 30 FFEDHM N#CCC1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000598030170 520386148 /nfs/dbraw/zinc/38/61/48/520386148.db2.gz NDZBQPAACSQXJG-LJQANCHMSA-N -1 3 363.417 2.625 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595368945 520434172 /nfs/dbraw/zinc/43/41/72/520434172.db2.gz BZRYKLGZMJHRLH-LBPRGKRZSA-N -1 3 365.282 2.886 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)c1nccn1C ZINC000595382218 520440851 /nfs/dbraw/zinc/44/08/51/520440851.db2.gz DHLDYDPYJPWEAM-LLVKDONJSA-N -1 3 360.464 2.854 20 30 FFEDHM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000595391639 520444680 /nfs/dbraw/zinc/44/46/80/520444680.db2.gz OEKDQDJAHNPUQI-WBVHZDCISA-N -1 3 350.484 2.544 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)OC2(CCCC2)C1 ZINC000592736167 520550914 /nfs/dbraw/zinc/55/09/14/520550914.db2.gz RXCAHRPRZOPAAO-ZDUSSCGKSA-N -1 3 357.454 2.768 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cn2cccn2)c2ccccc2)c(F)c1 ZINC000610161875 520564566 /nfs/dbraw/zinc/56/45/66/520564566.db2.gz OYNYWPRNWIWVFQ-QGZVFWFLSA-N -1 3 370.409 2.614 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1ccc(F)cc1 ZINC000610269746 520615756 /nfs/dbraw/zinc/61/57/56/520615756.db2.gz SROLJSQXIVHPTK-NSHDSACASA-N -1 3 352.362 2.582 20 30 FFEDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000610339235 520642473 /nfs/dbraw/zinc/64/24/73/520642473.db2.gz NWETUXLBKPTKER-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM CCOc1cccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000613934834 520732069 /nfs/dbraw/zinc/73/20/69/520732069.db2.gz NVJXCMWVERVZSA-UHFFFAOYSA-N -1 3 365.842 2.526 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000595844963 520761600 /nfs/dbraw/zinc/76/16/00/520761600.db2.gz JLKMTJDBDFAVST-TXEJJXNPSA-N -1 3 359.451 2.763 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ccc(C#N)s3)sc2C1 ZINC000598888650 520902756 /nfs/dbraw/zinc/90/27/56/520902756.db2.gz ODDHVZLALDNLKH-UHFFFAOYSA-N -1 3 356.432 2.710 20 30 FFEDHM CCN1CCN(c2ccccc2NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614358679 520923798 /nfs/dbraw/zinc/92/37/98/520923798.db2.gz LGFAUHMTXOIFSQ-UHFFFAOYSA-N -1 3 350.422 2.658 20 30 FFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)s1 ZINC000611114185 520991899 /nfs/dbraw/zinc/99/18/99/520991899.db2.gz GZIAKICOXIKLJS-FZMZJTMJSA-N -1 3 369.512 2.696 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)cc1F ZINC000618363371 521032263 /nfs/dbraw/zinc/03/22/63/521032263.db2.gz DIXADEDQODFLEU-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM Cc1nc([N-]C(=O)c2c(F)ccc(C)c2F)n(-c2ccc(C#N)cc2)n1 ZINC000611228842 521047010 /nfs/dbraw/zinc/04/70/10/521047010.db2.gz RIOCHAPZOKNRFN-UHFFFAOYSA-N -1 3 353.332 2.708 20 30 FFEDHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593532609 521056201 /nfs/dbraw/zinc/05/62/01/521056201.db2.gz YJEZJIGWKZWEFM-UHFFFAOYSA-N -1 3 350.465 2.928 20 30 FFEDHM CN(CCC[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1F ZINC000593535117 521057027 /nfs/dbraw/zinc/05/70/27/521057027.db2.gz HUQLCCOPKRCMQS-UHFFFAOYSA-N -1 3 353.444 2.564 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccccc1Br ZINC000615132841 521286743 /nfs/dbraw/zinc/28/67/43/521286743.db2.gz IXRDGRQBWRTRCQ-CYBMUJFWSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccccc1Br ZINC000615132841 521286749 /nfs/dbraw/zinc/28/67/49/521286749.db2.gz IXRDGRQBWRTRCQ-CYBMUJFWSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1Br ZINC000615132841 521286756 /nfs/dbraw/zinc/28/67/56/521286756.db2.gz IXRDGRQBWRTRCQ-CYBMUJFWSA-N -1 3 356.183 2.715 20 30 FFEDHM C=CCC1(C(=O)N=c2[n-]n(C)cc2I)CCCC1 ZINC000602389253 521315644 /nfs/dbraw/zinc/31/56/44/521315644.db2.gz FQUKRXLCKZRZDB-UHFFFAOYSA-N -1 3 359.211 2.522 20 30 FFEDHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000619166688 521427137 /nfs/dbraw/zinc/42/71/37/521427137.db2.gz WALCMWDMAHACIT-PBHICJAKSA-N -1 3 355.417 2.573 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3ccc4[nH][n-]c(=O)c4c3)CC2)cc1 ZINC000597149836 521538346 /nfs/dbraw/zinc/53/83/46/521538346.db2.gz SGOHYVYPVUWSDA-UHFFFAOYSA-N -1 3 362.389 2.824 20 30 FFEDHM CCOc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)CCO2 ZINC000619548514 521764660 /nfs/dbraw/zinc/76/46/60/521764660.db2.gz USJVYLIJVRQKLV-AWEZNQCLSA-N -1 3 364.448 2.821 20 30 FFEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H](OCC)C2CC2)cc1 ZINC000629286648 522085533 /nfs/dbraw/zinc/08/55/33/522085533.db2.gz YQIAIQYTKOSWKG-INIZCTEOSA-N -1 3 367.471 2.551 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)C2CCCC2)c(C(F)(F)F)c1 ZINC000625548044 523524317 /nfs/dbraw/zinc/52/43/17/523524317.db2.gz ZRWXEYBRWJIEHM-UHFFFAOYSA-N -1 3 360.357 2.615 20 30 FFEDHM Cc1[n-][nH]c(=NC(=O)c2ccnc(C#N)c2)c1-c1ccc2c(c1)OCCO2 ZINC000480364397 561207893 /nfs/dbraw/zinc/20/78/93/561207893.db2.gz MUENSQRAOXWPGG-UHFFFAOYSA-N -1 3 361.361 2.675 20 30 FFEDHM Cc1cc(C)n2[n-]c(=NC(=O)C(C#N)c3nc4ccccc4s3)nc2n1 ZINC000523228964 562209947 /nfs/dbraw/zinc/20/99/47/562209947.db2.gz KOFSCFZFULAFHJ-LLVKDONJSA-N -1 3 363.406 2.597 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473859723 561059515 /nfs/dbraw/zinc/05/95/15/561059515.db2.gz VMYIYYDMKSDXHV-HNNXBMFYSA-N -1 3 370.409 2.939 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(-c3nnn[n-]3)cn2)ccc1OC ZINC000736310289 598829802 /nfs/dbraw/zinc/82/98/02/598829802.db2.gz XFHMBEVXYDKCSX-AWEZNQCLSA-N -1 3 365.397 2.563 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)cn2)ccc1OC ZINC000736310289 598829805 /nfs/dbraw/zinc/82/98/05/598829805.db2.gz XFHMBEVXYDKCSX-AWEZNQCLSA-N -1 3 365.397 2.563 20 30 FFEDHM CC(C)(C)c1nc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cs1 ZINC000735657057 598916433 /nfs/dbraw/zinc/91/64/33/598916433.db2.gz NUDIEZOROIZONA-UHFFFAOYSA-N -1 3 367.438 2.674 20 30 FFEDHM CC(C)(C)c1nc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cs1 ZINC000735657057 598916434 /nfs/dbraw/zinc/91/64/34/598916434.db2.gz NUDIEZOROIZONA-UHFFFAOYSA-N -1 3 367.438 2.674 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc(-n3cccc3)cc2)ccc1-c1nnn[n-]1 ZINC000737708013 598913604 /nfs/dbraw/zinc/91/36/04/598913604.db2.gz CJALQFSXLZPZNX-UHFFFAOYSA-N -1 3 369.388 2.710 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc(-n3cccc3)cc2)ccc1-c1nn[n-]n1 ZINC000737708013 598913605 /nfs/dbraw/zinc/91/36/05/598913605.db2.gz CJALQFSXLZPZNX-UHFFFAOYSA-N -1 3 369.388 2.710 20 30 FFEDHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737594376 598915744 /nfs/dbraw/zinc/91/57/44/598915744.db2.gz USFQOTHSWQFABK-UHFFFAOYSA-N -1 3 362.180 2.636 20 30 FFEDHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737594376 598915746 /nfs/dbraw/zinc/91/57/46/598915746.db2.gz USFQOTHSWQFABK-UHFFFAOYSA-N -1 3 362.180 2.636 20 30 FFEDHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736190661 598925008 /nfs/dbraw/zinc/92/50/08/598925008.db2.gz WYYHEEDTYQDYPD-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736190661 598925010 /nfs/dbraw/zinc/92/50/10/598925010.db2.gz WYYHEEDTYQDYPD-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c(C)nn(C(C)C)c1C ZINC000819772887 607254138 /nfs/dbraw/zinc/25/41/38/607254138.db2.gz MGOOFUUDTWUSRB-UHFFFAOYSA-N -1 3 352.446 2.775 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(C)nn(C(C)C)c1C ZINC000819772887 607254139 /nfs/dbraw/zinc/25/41/39/607254139.db2.gz MGOOFUUDTWUSRB-UHFFFAOYSA-N -1 3 352.446 2.775 20 30 FFEDHM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1OC ZINC000821786882 607254540 /nfs/dbraw/zinc/25/45/40/607254540.db2.gz KURIXZIDWDMXMH-UHFFFAOYSA-N -1 3 372.816 2.661 20 30 FFEDHM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1OC ZINC000821786882 607254541 /nfs/dbraw/zinc/25/45/41/607254541.db2.gz KURIXZIDWDMXMH-UHFFFAOYSA-N -1 3 372.816 2.661 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735380410 599093223 /nfs/dbraw/zinc/09/32/23/599093223.db2.gz GQXLXUJUUJFSTB-YFHOEESVSA-N -1 3 363.352 2.670 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735380410 599093226 /nfs/dbraw/zinc/09/32/26/599093226.db2.gz GQXLXUJUUJFSTB-YFHOEESVSA-N -1 3 363.352 2.670 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OC(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737708654 599114716 /nfs/dbraw/zinc/11/47/16/599114716.db2.gz HTVJRMOIFJRPOP-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OC(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737708654 599114717 /nfs/dbraw/zinc/11/47/17/599114717.db2.gz HTVJRMOIFJRPOP-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735635900 599127463 /nfs/dbraw/zinc/12/74/63/599127463.db2.gz KISMNBLAUSAUAT-CYBMUJFWSA-N -1 3 371.445 2.959 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735635900 599127467 /nfs/dbraw/zinc/12/74/67/599127467.db2.gz KISMNBLAUSAUAT-CYBMUJFWSA-N -1 3 371.445 2.959 20 30 FFEDHM COc1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2C)cc1-c1nnn[n-]1 ZINC000737081510 599157026 /nfs/dbraw/zinc/15/70/26/599157026.db2.gz OGETWLPPRRNMQG-DAXSKMNVSA-N -1 3 365.349 2.988 20 30 FFEDHM COc1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2C)cc1-c1nn[n-]n1 ZINC000737081510 599157029 /nfs/dbraw/zinc/15/70/29/599157029.db2.gz OGETWLPPRRNMQG-DAXSKMNVSA-N -1 3 365.349 2.988 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1-c1nnn[n-]1 ZINC000737719623 599195418 /nfs/dbraw/zinc/19/54/18/599195418.db2.gz TWNQQOPREJKPOD-UHFFFAOYSA-N -1 3 350.407 2.931 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1-c1nn[n-]n1 ZINC000737719623 599195421 /nfs/dbraw/zinc/19/54/21/599195421.db2.gz TWNQQOPREJKPOD-UHFFFAOYSA-N -1 3 350.407 2.931 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)ccc1-c1nnn[n-]1 ZINC000737706296 599196489 /nfs/dbraw/zinc/19/64/89/599196489.db2.gz XAFCDKCEEMYQRH-UONOGXRCSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)ccc1-c1nn[n-]n1 ZINC000737706296 599196491 /nfs/dbraw/zinc/19/64/91/599196491.db2.gz XAFCDKCEEMYQRH-UONOGXRCSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000822830133 607263124 /nfs/dbraw/zinc/26/31/24/607263124.db2.gz VPGIJDRYOFTONB-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000822830133 607263125 /nfs/dbraw/zinc/26/31/25/607263125.db2.gz VPGIJDRYOFTONB-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM CC1CCN([C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c2ccccc2)CC1 ZINC000820238327 597636999 /nfs/dbraw/zinc/63/69/99/597636999.db2.gz MZPLEDIPEVZDMG-XLIONFOSSA-N -1 3 357.454 2.580 20 30 FFEDHM C[C@H](C#N)COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819857342 607323063 /nfs/dbraw/zinc/32/30/63/607323063.db2.gz RIUNBWULICGGIT-CYBMUJFWSA-N -1 3 363.377 2.762 20 30 FFEDHM O=C1Nc2ccccc2C1=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738320247 598314593 /nfs/dbraw/zinc/31/45/93/598314593.db2.gz SDNHVPBXBWHFEN-UHFFFAOYSA-N -1 3 373.298 2.654 20 30 FFEDHM O=C1Nc2ccccc2C1=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000738320247 598314595 /nfs/dbraw/zinc/31/45/95/598314595.db2.gz SDNHVPBXBWHFEN-UHFFFAOYSA-N -1 3 373.298 2.654 20 30 FFEDHM Oc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1O ZINC000738395956 598315507 /nfs/dbraw/zinc/31/55/07/598315507.db2.gz AVQZDQPHDDTJSA-UHFFFAOYSA-N -1 3 364.287 2.743 20 30 FFEDHM Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1O ZINC000738395956 598315509 /nfs/dbraw/zinc/31/55/09/598315509.db2.gz AVQZDQPHDDTJSA-UHFFFAOYSA-N -1 3 364.287 2.743 20 30 FFEDHM CCc1cc(N=NCc2ccc(-c3nn[n-]n3)cc2)nc(-c2ccccn2)n1 ZINC000736676139 598419503 /nfs/dbraw/zinc/41/95/03/598419503.db2.gz APAZSPCQXOYRPD-UHFFFAOYSA-N -1 3 371.408 2.727 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735436299 598705500 /nfs/dbraw/zinc/70/55/00/598705500.db2.gz IMLJQKGMEHQXKE-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735436299 598705501 /nfs/dbraw/zinc/70/55/01/598705501.db2.gz IMLJQKGMEHQXKE-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)nc1 ZINC000735390335 598734408 /nfs/dbraw/zinc/73/44/08/598734408.db2.gz XNAGTIDGBXQPEK-SNVBAGLBSA-N -1 3 364.434 2.682 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)nc1 ZINC000735390335 598734409 /nfs/dbraw/zinc/73/44/09/598734409.db2.gz XNAGTIDGBXQPEK-SNVBAGLBSA-N -1 3 364.434 2.682 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](Sc3ccccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822829905 599350917 /nfs/dbraw/zinc/35/09/17/599350917.db2.gz OPYFVSALFQHMOC-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](Sc3ccccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822829905 599350920 /nfs/dbraw/zinc/35/09/20/599350920.db2.gz OPYFVSALFQHMOC-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM Fc1ccccc1C=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822795634 599383141 /nfs/dbraw/zinc/38/31/41/599383141.db2.gz DQJPRRXTFBIDGB-UHFFFAOYSA-N -1 3 365.328 2.607 20 30 FFEDHM Fc1ccccc1C=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822795634 599383143 /nfs/dbraw/zinc/38/31/43/599383143.db2.gz DQJPRRXTFBIDGB-UHFFFAOYSA-N -1 3 365.328 2.607 20 30 FFEDHM C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339880 599470235 /nfs/dbraw/zinc/47/02/35/599470235.db2.gz HSODAWSDAFVTGA-CYBMUJFWSA-N -1 3 361.409 2.641 20 30 FFEDHM C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339880 599470236 /nfs/dbraw/zinc/47/02/36/599470236.db2.gz HSODAWSDAFVTGA-CYBMUJFWSA-N -1 3 361.409 2.641 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCN(C)C(=O)[O-] ZINC000737266851 599911807 /nfs/dbraw/zinc/91/18/07/599911807.db2.gz JSXXAMVXOLWSGW-HNNXBMFYSA-N -1 3 359.426 2.849 20 30 FFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000819817749 607455690 /nfs/dbraw/zinc/45/56/90/607455690.db2.gz LCXKHFQNIZQHOK-BQYQJAHWSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000819817749 607455692 /nfs/dbraw/zinc/45/56/92/607455692.db2.gz LCXKHFQNIZQHOK-BQYQJAHWSA-N -1 3 351.341 2.860 20 30 FFEDHM CN(C)C(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000830563392 600753769 /nfs/dbraw/zinc/75/37/69/600753769.db2.gz JLFRTAWCCZFFIK-KRWDZBQOSA-N -1 3 352.394 2.567 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000830519400 601323848 /nfs/dbraw/zinc/32/38/48/601323848.db2.gz QXQNPKXSMGQKEC-HOTGVXAUSA-N -1 3 359.426 2.625 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000823845020 607519099 /nfs/dbraw/zinc/51/90/99/607519099.db2.gz NEYSSGWEPHCSKZ-UHFFFAOYSA-N -1 3 351.385 2.650 20 30 FFEDHM COc1ccc(C=C2Cc3c(c(F)ccc3F)C2=O)cc1-c1nnn[n-]1 ZINC000826191109 607529403 /nfs/dbraw/zinc/52/94/03/607529403.db2.gz XIZDJTVJEOZBKI-POHAHGRESA-N -1 3 354.316 2.976 20 30 FFEDHM COc1ccc(C=C2Cc3c(c(F)ccc3F)C2=O)cc1-c1nn[n-]n1 ZINC000826191109 607529404 /nfs/dbraw/zinc/52/94/04/607529404.db2.gz XIZDJTVJEOZBKI-POHAHGRESA-N -1 3 354.316 2.976 20 30 FFEDHM FC(F)(F)c1ccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000826369330 607533384 /nfs/dbraw/zinc/53/33/84/607533384.db2.gz XYJBVFQOLZLKJR-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM FC(F)(F)c1ccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000826369330 607533386 /nfs/dbraw/zinc/53/33/86/607533386.db2.gz XYJBVFQOLZLKJR-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM CC1(C)CN(C(=O)[O-])CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000825728834 604095690 /nfs/dbraw/zinc/09/56/90/604095690.db2.gz BXFVXUILKNRLFY-LBPRGKRZSA-N -1 3 372.450 2.547 20 30 FFEDHM N#Cc1ccc(-c2ccn(CN3C[C@@H]4CCC[C@@H](NC(=O)[O-])[C@H]4C3)n2)cc1 ZINC000833974700 605326073 /nfs/dbraw/zinc/32/60/73/605326073.db2.gz NMJCQWYDBMBCIJ-JENIJYKNSA-N -1 3 365.437 2.747 20 30 FFEDHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820937646 606127154 /nfs/dbraw/zinc/12/71/54/606127154.db2.gz AZXOFRMAFHIZBS-MRXNPFEDSA-N -1 3 362.393 2.843 20 30 FFEDHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820937646 606127155 /nfs/dbraw/zinc/12/71/55/606127155.db2.gz AZXOFRMAFHIZBS-MRXNPFEDSA-N -1 3 362.393 2.843 20 30 FFEDHM C#CC[C@H](OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC000819689014 606135284 /nfs/dbraw/zinc/13/52/84/606135284.db2.gz SLGVOASEURXOET-HNNXBMFYSA-N -1 3 372.425 2.625 20 30 FFEDHM C#CC[C@H](OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC000819689014 606135285 /nfs/dbraw/zinc/13/52/85/606135285.db2.gz SLGVOASEURXOET-HNNXBMFYSA-N -1 3 372.425 2.625 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548629 606352931 /nfs/dbraw/zinc/35/29/31/606352931.db2.gz DGSKCZBODJCPLW-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548629 606352932 /nfs/dbraw/zinc/35/29/32/606352932.db2.gz DGSKCZBODJCPLW-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821703300 606386975 /nfs/dbraw/zinc/38/69/75/606386975.db2.gz YNQLMHJIZVCIFI-GQCTYLIASA-N -1 3 372.406 2.850 20 30 FFEDHM N#CCOc1cc(F)ccc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822811440 606708721 /nfs/dbraw/zinc/70/87/21/606708721.db2.gz YXZVBNIJRVXSLZ-UHFFFAOYSA-N -1 3 368.372 2.789 20 30 FFEDHM C=C[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819729118 606800159 /nfs/dbraw/zinc/80/01/59/606800159.db2.gz COYQKOCLOWCDHM-LLVKDONJSA-N -1 3 354.439 2.969 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(OC)cc1O ZINC000821702929 606835813 /nfs/dbraw/zinc/83/58/13/606835813.db2.gz HTQKUIMQWKMTMG-HWKANZROSA-N -1 3 358.379 2.547 20 30 FFEDHM N#CCc1ccnc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822815386 606836781 /nfs/dbraw/zinc/83/67/81/606836781.db2.gz QHPXVAXZTVRATP-UHFFFAOYSA-N -1 3 370.829 2.790 20 30 FFEDHM N#CCc1ccnc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822815386 606836783 /nfs/dbraw/zinc/83/67/83/606836783.db2.gz QHPXVAXZTVRATP-UHFFFAOYSA-N -1 3 370.829 2.790 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc2c(s1)CCC2 ZINC000822935221 606977889 /nfs/dbraw/zinc/97/78/89/606977889.db2.gz HHMXQBYXEREGCA-WAYWQWQTSA-N -1 3 362.418 2.961 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc2c(s1)CCC2 ZINC000822935221 606977891 /nfs/dbraw/zinc/97/78/91/606977891.db2.gz HHMXQBYXEREGCA-WAYWQWQTSA-N -1 3 362.418 2.961 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1-c1nnn[n-]1 ZINC000822823138 607238578 /nfs/dbraw/zinc/23/85/78/607238578.db2.gz LRVJTIBDLIJYQC-UHFFFAOYSA-N -1 3 356.748 2.712 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1-c1nn[n-]n1 ZINC000822823138 607238579 /nfs/dbraw/zinc/23/85/79/607238579.db2.gz LRVJTIBDLIJYQC-UHFFFAOYSA-N -1 3 356.748 2.712 20 30 FFEDHM N#Cc1ccc(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822832930 607248097 /nfs/dbraw/zinc/24/80/97/607248097.db2.gz IWKFLEXWQGUPLJ-UHFFFAOYSA-N -1 3 369.381 2.716 20 30 FFEDHM N#Cc1ccc(OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822832930 607248098 /nfs/dbraw/zinc/24/80/98/607248098.db2.gz IWKFLEXWQGUPLJ-UHFFFAOYSA-N -1 3 369.381 2.716 20 30 FFEDHM CN(C(=O)c1cc2ccccc2n1CC#N)c1ccccc1-c1nnn[n-]1 ZINC000825825589 607788006 /nfs/dbraw/zinc/78/80/06/607788006.db2.gz FRIDASNDSXKQKF-UHFFFAOYSA-N -1 3 357.377 2.622 20 30 FFEDHM CN(C(=O)c1cc2ccccc2n1CC#N)c1ccccc1-c1nn[n-]n1 ZINC000825825589 607788007 /nfs/dbraw/zinc/78/80/07/607788007.db2.gz FRIDASNDSXKQKF-UHFFFAOYSA-N -1 3 357.377 2.622 20 30 FFEDHM N#Cc1c(F)cccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826383085 607865728 /nfs/dbraw/zinc/86/57/28/607865728.db2.gz JPHIMFVLFPCXMG-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1c(F)cccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826383085 607865729 /nfs/dbraw/zinc/86/57/29/607865729.db2.gz JPHIMFVLFPCXMG-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1c(F)cccc1OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826383405 607866661 /nfs/dbraw/zinc/86/66/61/607866661.db2.gz ZAMYCIFQAKSZMY-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1c(F)cccc1OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826383405 607866662 /nfs/dbraw/zinc/86/66/62/607866662.db2.gz ZAMYCIFQAKSZMY-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM C=C(Br)CNc1ccc(-c2nn[n-]n2)cc1Br ZINC000823874094 608048384 /nfs/dbraw/zinc/04/83/84/608048384.db2.gz SHBDOAJLZZNXHT-UHFFFAOYSA-N -1 3 359.025 2.950 20 30 FFEDHM N#Cc1cccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826386508 608446756 /nfs/dbraw/zinc/44/67/56/608446756.db2.gz HVWYIQJJAQYDDV-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1cccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826386508 608446758 /nfs/dbraw/zinc/44/67/58/608446758.db2.gz HVWYIQJJAQYDDV-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000826384753 608480550 /nfs/dbraw/zinc/48/05/50/608480550.db2.gz IDQLJPPCAHBDIA-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000826384753 608480551 /nfs/dbraw/zinc/48/05/51/608480551.db2.gz IDQLJPPCAHBDIA-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM C[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(C#N)c1 ZINC000824633633 608480888 /nfs/dbraw/zinc/48/08/88/608480888.db2.gz PTBXASSMWMQRLD-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccc(C#N)c1 ZINC000824633633 608480890 /nfs/dbraw/zinc/48/08/90/608480890.db2.gz PTBXASSMWMQRLD-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C=CCOc1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823932085 608536803 /nfs/dbraw/zinc/53/68/03/608536803.db2.gz NXBBKPLUWJTYTQ-UHFFFAOYSA-N -1 3 355.789 2.926 20 30 FFEDHM C=CCOc1ccccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823932085 608536805 /nfs/dbraw/zinc/53/68/05/608536805.db2.gz NXBBKPLUWJTYTQ-UHFFFAOYSA-N -1 3 355.789 2.926 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNc2cnccc2-c2nnn[n-]2)ccc1OC ZINC000825039324 608783263 /nfs/dbraw/zinc/78/32/63/608783263.db2.gz PLLOYINGUJGJBX-CYBMUJFWSA-N -1 3 365.397 2.563 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNc2cnccc2-c2nn[n-]n2)ccc1OC ZINC000825039324 608783266 /nfs/dbraw/zinc/78/32/66/608783266.db2.gz PLLOYINGUJGJBX-CYBMUJFWSA-N -1 3 365.397 2.563 20 30 FFEDHM N#Cc1c(F)cccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383098 608866492 /nfs/dbraw/zinc/86/64/92/608866492.db2.gz KCRUMRFRLLWOOH-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM N#Cc1c(F)cccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383098 608866494 /nfs/dbraw/zinc/86/64/94/608866494.db2.gz KCRUMRFRLLWOOH-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(C#N)CCCC1 ZINC000824173455 609156240 /nfs/dbraw/zinc/15/62/40/609156240.db2.gz ZXMKCSARIDBRCJ-UHFFFAOYSA-N -1 3 355.398 2.651 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C#N)CCCC1 ZINC000824173455 609156241 /nfs/dbraw/zinc/15/62/41/609156241.db2.gz ZXMKCSARIDBRCJ-UHFFFAOYSA-N -1 3 355.398 2.651 20 30 FFEDHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccn1 ZINC000825076610 609186292 /nfs/dbraw/zinc/18/62/92/609186292.db2.gz WVOPSKZZJRDVNK-LLVKDONJSA-N -1 3 363.381 2.563 20 30 FFEDHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccn1 ZINC000825076610 609186294 /nfs/dbraw/zinc/18/62/94/609186294.db2.gz WVOPSKZZJRDVNK-LLVKDONJSA-N -1 3 363.381 2.563 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1-c1nnn[n-]1 ZINC000826385470 609186785 /nfs/dbraw/zinc/18/67/85/609186785.db2.gz NSRVGOMACYVZDN-UHFFFAOYSA-N -1 3 355.361 2.546 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1-c1nn[n-]n1 ZINC000826385470 609186787 /nfs/dbraw/zinc/18/67/87/609186787.db2.gz NSRVGOMACYVZDN-UHFFFAOYSA-N -1 3 355.361 2.546 20 30 FFEDHM N#CC1(c2ccc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)cc2)CC1 ZINC000826379827 609237654 /nfs/dbraw/zinc/23/76/54/609237654.db2.gz CWPYEOOIVCHSIV-UHFFFAOYSA-N -1 3 370.416 2.841 20 30 FFEDHM N#CC1(c2ccc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)cc2)CC1 ZINC000826379827 609237656 /nfs/dbraw/zinc/23/76/56/609237656.db2.gz CWPYEOOIVCHSIV-UHFFFAOYSA-N -1 3 370.416 2.841 20 30 FFEDHM N#CC1(c2ccc(COC(=O)c3cc(-c4nnn[n-]4)cs3)cc2)CC1 ZINC000826380937 609244632 /nfs/dbraw/zinc/24/46/32/609244632.db2.gz QZMMBKDCUPMKDK-UHFFFAOYSA-N -1 3 351.391 2.840 20 30 FFEDHM N#CC1(c2ccc(COC(=O)c3cc(-c4nn[n-]n4)cs3)cc2)CC1 ZINC000826380937 609244633 /nfs/dbraw/zinc/24/46/33/609244633.db2.gz QZMMBKDCUPMKDK-UHFFFAOYSA-N -1 3 351.391 2.840 20 30 FFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826355787 609270449 /nfs/dbraw/zinc/27/04/49/609270449.db2.gz NGPLUSXPWQSRQW-PLNGDYQASA-N -1 3 367.171 2.942 20 30 FFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826355787 609270452 /nfs/dbraw/zinc/27/04/52/609270452.db2.gz NGPLUSXPWQSRQW-PLNGDYQASA-N -1 3 367.171 2.942 20 30 FFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401159 609272803 /nfs/dbraw/zinc/27/28/03/609272803.db2.gz RAFMYDWSWZMQCY-FNORWQNLSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401159 609272804 /nfs/dbraw/zinc/27/28/04/609272804.db2.gz RAFMYDWSWZMQCY-FNORWQNLSA-N -1 3 352.325 2.673 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953613 609273550 /nfs/dbraw/zinc/27/35/50/609273550.db2.gz ITPJORHZLKCZJX-UHFFFAOYSA-N -1 3 373.392 2.856 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953613 609273551 /nfs/dbraw/zinc/27/35/51/609273551.db2.gz ITPJORHZLKCZJX-UHFFFAOYSA-N -1 3 373.392 2.856 20 30 FFEDHM N#Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826384587 609279300 /nfs/dbraw/zinc/27/93/00/609279300.db2.gz BHNOYRALHWLBNY-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM C#CCCCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823842215 609290166 /nfs/dbraw/zinc/29/01/66/609290166.db2.gz ZBPWVFYDDCNOAQ-UHFFFAOYSA-N -1 3 367.388 2.714 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000823909756 609377242 /nfs/dbraw/zinc/37/72/42/609377242.db2.gz PLRZRTCCQIBJMG-YJBOKZPZSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000823909756 609377243 /nfs/dbraw/zinc/37/72/43/609377243.db2.gz PLRZRTCCQIBJMG-YJBOKZPZSA-N -1 3 369.469 2.977 20 30 FFEDHM COCCOc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826163155 609476485 /nfs/dbraw/zinc/47/64/85/609476485.db2.gz IOOSIFKWWOBEDI-UHFFFAOYSA-N -1 3 372.816 2.991 20 30 FFEDHM COCCOc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826163155 609476488 /nfs/dbraw/zinc/47/64/88/609476488.db2.gz IOOSIFKWWOBEDI-UHFFFAOYSA-N -1 3 372.816 2.991 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000824777955 609494095 /nfs/dbraw/zinc/49/40/95/609494095.db2.gz LSKNLEHWXANNGZ-QGZVFWFLSA-N -1 3 356.434 2.581 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000824777955 609494098 /nfs/dbraw/zinc/49/40/98/609494098.db2.gz LSKNLEHWXANNGZ-QGZVFWFLSA-N -1 3 356.434 2.581 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823894635 609570632 /nfs/dbraw/zinc/57/06/32/609570632.db2.gz VHAYSHWYGJFCHP-SNVBAGLBSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823894635 609570633 /nfs/dbraw/zinc/57/06/33/609570633.db2.gz VHAYSHWYGJFCHP-SNVBAGLBSA-N -1 3 355.851 2.543 20 30 FFEDHM C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000028297690 727884761 /nfs/dbraw/zinc/88/47/61/727884761.db2.gz CLPHOMWMRXONIR-SSDOTTSWSA-N -1 3 363.222 2.503 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2C)ccc1F ZINC000029005489 727889167 /nfs/dbraw/zinc/88/91/67/727889167.db2.gz UEUKCLUEGHHUNW-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CC2(C)C)ccc1F ZINC000746652629 735501476 /nfs/dbraw/zinc/50/14/76/735501476.db2.gz CSAQRPAMSDKBKU-GFCCVEGCSA-N -1 3 354.447 2.551 20 30 FFEDHM O=C(CN1C(=O)CSc2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973905 728229270 /nfs/dbraw/zinc/22/92/70/728229270.db2.gz LUHGKPYVFGRKHL-UHFFFAOYSA-N -1 3 355.379 2.792 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)ccc1F ZINC000097167768 728482282 /nfs/dbraw/zinc/48/22/82/728482282.db2.gz RJGHUPSCMGBSOH-STQMWFEESA-N -1 3 368.474 2.845 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000125708783 728686423 /nfs/dbraw/zinc/68/64/23/728686423.db2.gz STJGCEGHENZMAJ-UHFFFAOYSA-N -1 3 354.291 2.690 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCCC#Cc2ccccc2)ccc1F ZINC000129441780 728711551 /nfs/dbraw/zinc/71/15/51/728711551.db2.gz OILDFVSIHGBOSL-UHFFFAOYSA-N -1 3 361.394 2.796 20 30 FFEDHM C=C(Br)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000164821114 728968763 /nfs/dbraw/zinc/96/87/63/728968763.db2.gz IONKBIAYBSBZFU-UHFFFAOYSA-N -1 3 364.037 2.863 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(F)c(Br)c1 ZINC000174011008 729060647 /nfs/dbraw/zinc/06/06/47/729060647.db2.gz IJBGAVJQDYSMRS-JTQLQIEISA-N -1 3 362.158 2.944 20 30 FFEDHM CCOCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000857010781 730372393 /nfs/dbraw/zinc/37/23/93/730372393.db2.gz WTVMRCWGBPAVKG-OAHLLOKOSA-N -1 3 360.801 2.534 20 30 FFEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)CC(C)(C)C(F)(F)CC)c1 ZINC000858911658 730436442 /nfs/dbraw/zinc/43/64/42/730436442.db2.gz MPWMFEPDSUWRQB-UHFFFAOYSA-N -1 3 372.437 2.597 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC23CC3)ccc1F ZINC000863776707 730807596 /nfs/dbraw/zinc/80/75/96/730807596.db2.gz CDXOKOYPPZGYSZ-AWEZNQCLSA-N -1 3 366.458 2.600 20 30 FFEDHM C=CCC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCOCC1 ZINC000648430847 730808241 /nfs/dbraw/zinc/80/82/41/730808241.db2.gz AENPGMQTMWZOMH-UHFFFAOYSA-N -1 3 351.756 2.832 20 30 FFEDHM Cc1noc([C@@H]2OCC[C@@H]2/N=C/c2cc(Br)ccc2[O-])n1 ZINC000864345633 730840637 /nfs/dbraw/zinc/84/06/37/730840637.db2.gz BFXNJTDXWKMSBB-GTTBJYQFSA-N -1 3 352.188 2.795 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1c(Br)cccc1OC ZINC000872003876 731716106 /nfs/dbraw/zinc/71/61/06/731716106.db2.gz AAXRQFRWKJUPRD-JTQLQIEISA-N -1 3 361.261 2.569 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000657148045 731738807 /nfs/dbraw/zinc/73/88/07/731738807.db2.gz PRWGZJWAIRAIFW-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM O=C(Nc1ccc(Cl)cc1Br)N[C@H]1CCCN([O-])C1=O ZINC000878949226 732620886 /nfs/dbraw/zinc/62/08/86/732620886.db2.gz BCGWRIRQPQBMEJ-JTQLQIEISA-N -1 3 362.611 2.604 20 30 FFEDHM C=C1CCC(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000926545198 738628443 /nfs/dbraw/zinc/62/84/43/738628443.db2.gz VJCVYQUKXNFSTA-AWEZNQCLSA-N -1 3 361.408 2.833 20 30 FFEDHM N#CCCOCCN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879467270 732706615 /nfs/dbraw/zinc/70/66/15/732706615.db2.gz FOMZCCLJSLSNCE-ZDUSSCGKSA-N -1 3 355.360 2.589 20 30 FFEDHM O=C(Nc1cc(Cl)ccc1C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000879547506 732720085 /nfs/dbraw/zinc/72/00/85/732720085.db2.gz QSOLUMCNSSOLAD-SECBINFHSA-N -1 3 351.712 2.861 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1cccc(C#N)c1 ZINC000881956271 733142848 /nfs/dbraw/zinc/14/28/48/733142848.db2.gz IAJJERKYKXGFLY-ZAMGYDSWSA-N -1 3 369.512 2.884 20 30 FFEDHM O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1cc([O-])cc(C(F)(F)F)c1 ZINC000882557099 733245160 /nfs/dbraw/zinc/24/51/60/733245160.db2.gz QVZCDJOJCJIOQE-MRVPVSSYSA-N -1 3 367.192 2.699 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OCC ZINC000882644627 733264102 /nfs/dbraw/zinc/26/41/02/733264102.db2.gz LYUOVAJMSPUGDW-MRXNPFEDSA-N -1 3 362.451 2.552 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OCC ZINC000882645452 733264259 /nfs/dbraw/zinc/26/42/59/733264259.db2.gz VAWUUHPWQCYSEY-AWEZNQCLSA-N -1 3 361.410 2.942 20 30 FFEDHM C[C@H](C(=O)[N-]CC(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674459565 733709028 /nfs/dbraw/zinc/70/90/28/733709028.db2.gz LYAKMUHJOZBOFY-FSDSQADBSA-N -1 3 360.220 2.726 20 30 FFEDHM C=CCCCCCOC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000783340986 738801172 /nfs/dbraw/zinc/80/11/72/738801172.db2.gz IPTLZMUDWWMXOG-UHFFFAOYSA-N -1 3 351.877 2.969 20 30 FFEDHM CC(C)N(CCC#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000726532401 734432334 /nfs/dbraw/zinc/43/23/34/734432334.db2.gz IJKASMQKHXQOFY-UHFFFAOYSA-N -1 3 369.462 2.667 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000734503058 734900655 /nfs/dbraw/zinc/90/06/55/734900655.db2.gz WNOHZAJETUSAOX-AWEZNQCLSA-N -1 3 351.359 2.725 20 30 FFEDHM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000741659559 735155219 /nfs/dbraw/zinc/15/52/19/735155219.db2.gz JGIAGFAXLAAQIV-UHFFFAOYSA-N -1 3 360.410 2.553 20 30 FFEDHM Cc1cc(Br)c(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c(C#N)c1 ZINC000897345791 735222836 /nfs/dbraw/zinc/22/28/36/735222836.db2.gz PAHUNWTYOKXWDG-LBPRGKRZSA-N -1 3 374.242 2.816 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C/C=C\c2ccc(F)cc2)cc1 ZINC000747753836 735587728 /nfs/dbraw/zinc/58/77/28/735587728.db2.gz NYMNKXWZCVUFBI-XCSJNYROSA-N -1 3 363.370 2.853 20 30 FFEDHM CS(=O)(=O)CC1(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000901378119 735772341 /nfs/dbraw/zinc/77/23/41/735772341.db2.gz CRSXFCVPNIUSOM-UHFFFAOYSA-N -1 3 366.266 2.926 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1C1CC1)C1CCOCC1 ZINC000901965304 735880997 /nfs/dbraw/zinc/88/09/97/735880997.db2.gz AVYXNEUQOPISAH-GOSISDBHSA-N -1 3 364.467 2.619 20 30 FFEDHM C[C@]1(CS(=O)(=O)[N-]c2nc3cc(C#N)ccc3[nH]2)CC1(Cl)Cl ZINC000903197062 736053574 /nfs/dbraw/zinc/05/35/74/736053574.db2.gz JFDHBSCPOJDPNU-GFCCVEGCSA-N -1 3 359.238 2.760 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)CC1 ZINC000908946767 736862073 /nfs/dbraw/zinc/86/20/73/736862073.db2.gz QGZAVTLAVBUYSL-IBGZPJMESA-N -1 3 351.491 2.750 20 30 FFEDHM C=CCN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC000908945137 736862221 /nfs/dbraw/zinc/86/22/21/736862221.db2.gz BBOCEIQECGJNLD-OAHLLOKOSA-N -1 3 369.824 2.554 20 30 FFEDHM N#Cc1cc(Cl)c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(Cl)c1 ZINC000911851259 737237615 /nfs/dbraw/zinc/23/76/15/737237615.db2.gz BZZWVNVZTNMKBF-VIFPVBQESA-N -1 3 351.193 2.923 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)ccc1C#N ZINC000766546212 737240052 /nfs/dbraw/zinc/24/00/52/737240052.db2.gz ATJBSUUCCQAPCB-UHFFFAOYSA-N -1 3 356.382 2.992 20 30 FFEDHM COc1cc(C=NNC(=S)N[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000767032108 737285487 /nfs/dbraw/zinc/28/54/87/737285487.db2.gz ANCJSKNCPZDWFO-CMPLNLGQSA-N -1 3 366.443 2.686 20 30 FFEDHM O=S1(=O)CCC(CC/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000768270163 737409711 /nfs/dbraw/zinc/40/97/11/737409711.db2.gz WSTHNNRLSXFFLW-MHWRWJLKSA-N -1 3 360.273 2.789 20 30 FFEDHM C[C@H](C#N)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000770942128 737677791 /nfs/dbraw/zinc/67/77/91/737677791.db2.gz JAMZZJVRUSBNQA-GFCCVEGCSA-N -1 3 362.382 2.943 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](CC)CC[C@@H]2C)ccc1F ZINC000772446075 737813022 /nfs/dbraw/zinc/81/30/22/737813022.db2.gz ROOVZSLGVHXDEE-GXTWGEPZSA-N -1 3 354.447 2.693 20 30 FFEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000929911716 739036784 /nfs/dbraw/zinc/03/67/84/739036784.db2.gz XPUFFAUBOXWGOA-ZDUSSCGKSA-N -1 3 353.444 2.639 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCCN2C2CCCC2)n1 ZINC000786879607 739084823 /nfs/dbraw/zinc/08/48/23/739084823.db2.gz OBIPGEWVTTWPKC-CABCVRRESA-N -1 3 361.467 2.578 20 30 FFEDHM COc1ccc(C=NN[C@H](CO)c2ccccc2)c(Br)c1[O-] ZINC000788470804 739247968 /nfs/dbraw/zinc/24/79/68/739247968.db2.gz ZOSCICSZOIHCGT-CYBMUJFWSA-N -1 3 365.227 2.820 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788605734 739262795 /nfs/dbraw/zinc/26/27/95/739262795.db2.gz CPUZXBRBPUJIRG-UHFFFAOYSA-N -1 3 369.917 2.694 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)c(Cl)c2)cc1 ZINC000793125176 739742048 /nfs/dbraw/zinc/74/20/48/739742048.db2.gz MVBUZOHNSNCMKO-CYBMUJFWSA-N -1 3 359.769 2.713 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(C)C ZINC000798472225 740335842 /nfs/dbraw/zinc/33/58/42/740335842.db2.gz JFKRWSBMVXOJEJ-GFCCVEGCSA-N -1 3 351.449 2.624 20 30 FFEDHM C=CCN1CC[C@H](N(C)Cc2cc(C)cc(Br)c2[O-])C1=O ZINC000798956945 740377234 /nfs/dbraw/zinc/37/72/34/740377234.db2.gz QYKULFTWQCVYLN-AWEZNQCLSA-N -1 3 353.260 2.682 20 30 FFEDHM CCCC[C@H](C)N(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000812381103 741615653 /nfs/dbraw/zinc/61/56/53/741615653.db2.gz OGARISRVGXQJQY-KBPBESRZSA-N -1 3 365.499 2.541 20 30 FFEDHM Cc1ccc(Sc2ncccc2C(=O)N[C@H]2CCN([O-])C2=O)c(C)c1 ZINC000816692172 742053634 /nfs/dbraw/zinc/05/36/34/742053634.db2.gz IFMGPKWNUAJQRM-AWEZNQCLSA-N -1 3 357.435 2.570 20 30 FFEDHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816756966 742059496 /nfs/dbraw/zinc/05/94/96/742059496.db2.gz JOJQNFYJVOODJN-KCJUWKMLSA-N -1 3 363.266 2.970 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000817456655 742148398 /nfs/dbraw/zinc/14/83/98/742148398.db2.gz APFIQFFYGPFQQW-UHFFFAOYSA-N -1 3 372.437 2.738 20 30 FFEDHM C=CCn1cc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)nn1 ZINC000823207133 742852915 /nfs/dbraw/zinc/85/29/15/742852915.db2.gz PHBLWYYGDAOIRX-UHFFFAOYSA-N -1 3 356.760 2.534 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)nc1 ZINC000824556523 743104167 /nfs/dbraw/zinc/10/41/67/743104167.db2.gz WVDFGQRJWRFPIS-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM N#C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000826380316 743383386 /nfs/dbraw/zinc/38/33/86/743383386.db2.gz VIILPILPCGKLAT-HNNXBMFYSA-N -1 3 357.439 2.974 20 30 FFEDHM N#C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000826380316 743383393 /nfs/dbraw/zinc/38/33/93/743383393.db2.gz VIILPILPCGKLAT-HNNXBMFYSA-N -1 3 357.439 2.974 20 30 FFEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)[C@H]1CCCO1 ZINC000828852059 745127103 /nfs/dbraw/zinc/12/71/03/745127103.db2.gz KBAJBBZJLDETCO-QWHCGFSZSA-N -1 3 358.182 2.838 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000836829595 746314362 /nfs/dbraw/zinc/31/43/62/746314362.db2.gz ZZPIQGUIYKVJBR-UHFFFAOYSA-N -1 3 356.463 2.845 20 30 FFEDHM C=CCO[N-]C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000837044307 746355560 /nfs/dbraw/zinc/35/55/60/746355560.db2.gz LBALACXITWJPHB-UHFFFAOYSA-N -1 3 358.217 2.727 20 30 FFEDHM C#CCC[C@@H](C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000839036578 746759998 /nfs/dbraw/zinc/75/99/98/746759998.db2.gz WULRLTSENWVKJX-CQSZACIVSA-N -1 3 353.440 2.561 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)ccc1F ZINC000839444707 746829366 /nfs/dbraw/zinc/82/93/66/746829366.db2.gz JBHHNEQKYZPVON-JSGCOSHPSA-N -1 3 366.414 2.529 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000840706848 747163755 /nfs/dbraw/zinc/16/37/55/747163755.db2.gz LIOJSYUCHMDGRA-XGTDKWECSA-N -1 3 351.447 2.700 20 30 FFEDHM C#C[C@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000848281860 748893291 /nfs/dbraw/zinc/89/32/91/748893291.db2.gz KVQBKXTVOMYAJB-NSHDSACASA-N -1 3 359.223 2.776 20 30 FFEDHM CS(=O)(=O)CC1(CC/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000849170720 749065282 /nfs/dbraw/zinc/06/52/82/749065282.db2.gz SYMBAEZGCUWLDC-SXGWCWSVSA-N -1 3 360.273 2.789 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823894111 946502017 /nfs/dbraw/zinc/50/20/17/946502017.db2.gz HURGRXSYFNAYTF-PBHICJAKSA-N -1 3 370.457 2.694 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823894111 946502024 /nfs/dbraw/zinc/50/20/24/946502024.db2.gz HURGRXSYFNAYTF-PBHICJAKSA-N -1 3 370.457 2.694 20 30 FFEDHM C#C[C@H](NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573280139 946655459 /nfs/dbraw/zinc/65/54/59/946655459.db2.gz NRPZDSRRSVQLBD-IBGZPJMESA-N -1 3 372.432 2.939 20 30 FFEDHM C#C[C@H](NC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573280139 946655464 /nfs/dbraw/zinc/65/54/64/946655464.db2.gz NRPZDSRRSVQLBD-IBGZPJMESA-N -1 3 372.432 2.939 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](C)N(C)c2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001573326089 947369230 /nfs/dbraw/zinc/36/92/30/947369230.db2.gz KMJJBVNIAYXHLP-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](C)N(C)c2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001573326089 947369239 /nfs/dbraw/zinc/36/92/39/947369239.db2.gz KMJJBVNIAYXHLP-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)ccc21 ZINC000826011130 947402643 /nfs/dbraw/zinc/40/26/43/947402643.db2.gz YNVMNEOWKIIWKB-YFHOEESVSA-N -1 3 359.389 2.672 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)ccc21 ZINC000826011130 947402653 /nfs/dbraw/zinc/40/26/53/947402653.db2.gz YNVMNEOWKIIWKB-YFHOEESVSA-N -1 3 359.389 2.672 20 30 FFEDHM C=CCN(CC=C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(C)C ZINC001573340943 947525472 /nfs/dbraw/zinc/52/54/72/947525472.db2.gz DUGYUWZQWDMQBY-UHFFFAOYSA-N -1 3 364.457 2.960 20 30 FFEDHM C=CCN(CC=C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(C)C ZINC001573340943 947525483 /nfs/dbraw/zinc/52/54/83/947525483.db2.gz DUGYUWZQWDMQBY-UHFFFAOYSA-N -1 3 364.457 2.960 20 30 FFEDHM C[C@H](CC#N)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001574472480 949551185 /nfs/dbraw/zinc/55/11/85/949551185.db2.gz VLECHIIECSGUQU-LLVKDONJSA-N -1 3 352.423 2.761 20 30 FFEDHM C#CC(C)(C)C(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001276014260 1013286534 /nfs/dbraw/zinc/28/65/34/1013286534.db2.gz GFYHPVBFXYFGEX-WYRIXSBYSA-N -1 3 369.446 2.591 20 30 FFEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1ccccc1OC(F)(F)F ZINC000255421311 965603189 /nfs/dbraw/zinc/60/31/89/965603189.db2.gz FJOVMMLVLVXKOI-DGMVEKRQSA-N -1 3 363.295 2.924 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CO[C@@H]1c1ccccc1 ZINC000893646624 976836079 /nfs/dbraw/zinc/83/60/79/976836079.db2.gz AZBLLZWQYZFSEH-IEBWSBKVSA-N -1 3 352.390 2.892 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000726322298 978179022 /nfs/dbraw/zinc/17/90/22/978179022.db2.gz UKBYLMYJUVPLCP-CQSZACIVSA-N -1 3 369.333 2.573 20 30 FFEDHM C#CCN1CC[C@]2(CCCN2C(=O)c2cc(C(C)(C)C)ccc2[O-])C1=O ZINC001271964538 979369508 /nfs/dbraw/zinc/36/95/08/979369508.db2.gz UTZQVELUZVGWBG-OAQYLSRUSA-N -1 3 354.450 2.530 20 30 FFEDHM CC(=O)[C@@H](C)CCCCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904184510 980204728 /nfs/dbraw/zinc/20/47/28/980204728.db2.gz RYDLJNWWIPGAEQ-AWEZNQCLSA-N -1 3 374.437 2.676 20 30 FFEDHM COc1ccc([C@H](CC(=O)N([O-])Cc2ccc(F)cc2)NC(C)=O)cc1 ZINC000904174796 980206861 /nfs/dbraw/zinc/20/68/61/980206861.db2.gz JKYGEJIFKKGFDS-SFHVURJKSA-N -1 3 360.385 2.820 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H](C)c2nc(-c3ccccc3)no2)c1[O-] ZINC000760226815 980436631 /nfs/dbraw/zinc/43/66/31/980436631.db2.gz JRTQCSAMNDMCIU-QDBSGRMGSA-N -1 3 352.394 2.861 20 30 FFEDHM C=CCNC(=O)c1cccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)c1 ZINC000436922160 980565885 /nfs/dbraw/zinc/56/58/85/980565885.db2.gz WWCIYOULZOKBDU-UHFFFAOYSA-N -1 3 365.345 2.754 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NC[C@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908808842 981541768 /nfs/dbraw/zinc/54/17/68/981541768.db2.gz FFTIKSZWHSUJQS-RBUKOAKNSA-N -1 3 373.497 2.932 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)c1ccc(Cl)cc1 ZINC001212074658 981572972 /nfs/dbraw/zinc/57/29/72/981572972.db2.gz GPXJQRLFKXKLLD-ZDUSSCGKSA-N -1 3 367.810 2.681 20 30 FFEDHM C#CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C1CC1 ZINC000764449336 984499699 /nfs/dbraw/zinc/49/96/99/984499699.db2.gz MQKRQLXCRCMAIO-UHFFFAOYSA-N -1 3 369.446 2.576 20 30 FFEDHM O=C1CCCC(=O)N1Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000761013606 984640514 /nfs/dbraw/zinc/64/05/14/984640514.db2.gz AGEGCFOWOSVOLU-UHFFFAOYSA-N -1 3 354.362 2.593 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(C)c1 ZINC000129806428 984699515 /nfs/dbraw/zinc/69/95/15/984699515.db2.gz FUSXQCSTELSKBE-CYBMUJFWSA-N -1 3 353.334 2.873 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1c(Cl)nc2ccccn21 ZINC000129927303 985046534 /nfs/dbraw/zinc/04/65/34/985046534.db2.gz SVHYGSDMVNOMMA-LLVKDONJSA-N -1 3 368.780 2.957 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)ccc1OC(C)C ZINC000138981726 985180941 /nfs/dbraw/zinc/18/09/41/985180941.db2.gz IWYJDFIZTPGMSO-CQSZACIVSA-N -1 3 353.378 2.839 20 30 FFEDHM C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CC[C@H]1C(=O)[O-] ZINC001599927594 985232198 /nfs/dbraw/zinc/23/21/98/985232198.db2.gz FNPBNWGVAYIRFJ-YNEHKIRRSA-N -1 3 357.435 2.515 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccnc(OCC(F)(F)F)c1 ZINC000173966020 986024929 /nfs/dbraw/zinc/02/49/29/986024929.db2.gz QGPYANAEBMHUAY-CYBMUJFWSA-N -1 3 363.295 2.984 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccnc(OCC(F)(F)F)c1 ZINC000173966006 986024988 /nfs/dbraw/zinc/02/49/88/986024988.db2.gz QGPYANAEBMHUAY-ZDUSSCGKSA-N -1 3 363.295 2.984 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)cc1OC ZINC000130055797 986356085 /nfs/dbraw/zinc/35/60/85/986356085.db2.gz XZQUKXPRJDMEKO-GFCCVEGCSA-N -1 3 360.316 2.943 20 30 FFEDHM COc1cc2c(cc1OC)C(=N[N-]c1ncccc1C(F)(F)F)C(=O)N2 ZINC000915960630 989712004 /nfs/dbraw/zinc/71/20/04/989712004.db2.gz MPYJDQLQRRURGD-UHFFFAOYSA-N -1 3 366.299 2.886 20 30 FFEDHM COc1cccc(COc2cccc(Cl)c2C=NN2CC(=O)[N-]C2=O)c1 ZINC000917541518 990237407 /nfs/dbraw/zinc/23/74/07/990237407.db2.gz IHEMWZUVMHQBKD-UHFFFAOYSA-N -1 3 373.796 2.813 20 30 FFEDHM Cc1nn(Cc2ccc(C)cc2)c(C)c1C=[NH+][N-]c1ncnc2[n-]cnc21 ZINC000917553957 990242989 /nfs/dbraw/zinc/24/29/89/990242989.db2.gz AKPUMGHKFYYSFE-UHFFFAOYSA-N -1 3 360.425 2.969 20 30 FFEDHM COC(=O)/C=C/c1ccc(OCCOC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811185069 995050985 /nfs/dbraw/zinc/05/09/85/995050985.db2.gz HDMOBPJGJQAQOD-QPJJXVBHSA-N -1 3 367.357 2.686 20 30 FFEDHM CCc1ccc([C@H](C)NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186938 995052304 /nfs/dbraw/zinc/05/23/04/995052304.db2.gz DOUJGQFTUHEIKW-ZDUSSCGKSA-N -1 3 352.390 2.860 20 30 FFEDHM CCCOc1cccc(CNC(=O)COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811187633 995053904 /nfs/dbraw/zinc/05/39/04/995053904.db2.gz VGELYCMQEPMLOX-UHFFFAOYSA-N -1 3 368.389 2.526 20 30 FFEDHM C[C@@]1(C(=O)[O-])CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC001593777535 996485390 /nfs/dbraw/zinc/48/53/90/996485390.db2.gz ZEEDGEMWQJAQEC-KZULUSFZSA-N -1 3 357.435 2.659 20 30 FFEDHM C=CCNC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccc(C)cc1 ZINC000732177828 998525138 /nfs/dbraw/zinc/52/51/38/998525138.db2.gz QMFIKJXATAICSA-UHFFFAOYSA-O -1 3 369.470 2.572 20 30 FFEDHM N#Cc1ccc(F)cc1CN[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001085178746 999072877 /nfs/dbraw/zinc/07/28/77/999072877.db2.gz SNXRVFVCAVMZBZ-IAGOWNOFSA-N -1 3 368.412 2.629 20 30 FFEDHM COC(=O)Nc1ccc(C(=O)OCCOc2ccccc2C#N)cc1[O-] ZINC000745655848 999923408 /nfs/dbraw/zinc/92/34/08/999923408.db2.gz NXYPJWVGYNQIIA-UHFFFAOYSA-N -1 3 356.334 2.678 20 30 FFEDHM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccc([O-])c(C(C)=O)c1)CC2 ZINC001148663320 1001194182 /nfs/dbraw/zinc/19/41/82/1001194182.db2.gz WYRIXPWOLFFXGI-NRFANRHFSA-N -1 3 370.449 2.768 20 30 FFEDHM COc1ccc2c(c1)C(C)(C)CC2N=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000788715184 1001852078 /nfs/dbraw/zinc/85/20/78/1001852078.db2.gz BBXKFAFRURNNKV-UHFFFAOYSA-N -1 3 352.398 2.575 20 30 FFEDHM CCN(CC)Cc1c(Br)cccc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171368326 1001925232 /nfs/dbraw/zinc/92/52/32/1001925232.db2.gz DFKRMJDSWHXMLJ-NHYWBVRUSA-N -1 3 370.291 2.939 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1CC1CCCC1 ZINC000789404075 1002072071 /nfs/dbraw/zinc/07/20/71/1002072071.db2.gz PJXFFINRGIQVQN-MRXNPFEDSA-N -1 3 351.410 2.738 20 30 FFEDHM CC(C)(C)C1CC(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C1 ZINC001184272970 1002534609 /nfs/dbraw/zinc/53/46/09/1002534609.db2.gz MWNBCQDCSOXFSL-UHFFFAOYSA-N -1 3 358.438 2.963 20 30 FFEDHM N#Cc1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000791321603 1002652276 /nfs/dbraw/zinc/65/22/76/1002652276.db2.gz LMXDXRBCIMWISF-KRWDZBQOSA-N -1 3 368.364 2.751 20 30 FFEDHM N#CC1(c2ccccc2)CCC(n2c3[n-]c(=O)sc3c(=O)nc2N)CC1 ZINC001170360000 1003124488 /nfs/dbraw/zinc/12/44/88/1003124488.db2.gz LXRYWKVKWFAKKL-UHFFFAOYSA-N -1 3 367.434 2.960 20 30 FFEDHM N#C[C@H]1CCCCN1C(=O)c1cc([O-])cc(I)c1 ZINC001196408841 1003770825 /nfs/dbraw/zinc/77/08/25/1003770825.db2.gz KOYXRVRHKHALBA-LLVKDONJSA-N -1 3 356.163 2.515 20 30 FFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cncnc1Br ZINC001196647941 1003900898 /nfs/dbraw/zinc/90/08/98/1003900898.db2.gz LWDBTLJMXYERJQ-UHFFFAOYSA-N -1 3 373.619 2.565 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1c(C)nc(Cl)cc1Cl ZINC001196694159 1003915631 /nfs/dbraw/zinc/91/56/31/1003915631.db2.gz LFXVZGQBDZCMKX-UHFFFAOYSA-N -1 3 354.153 2.632 20 30 FFEDHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)c(C#N)c2)c1 ZINC001196798140 1003961138 /nfs/dbraw/zinc/96/11/38/1003961138.db2.gz VZQIGLGPAWWTCK-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3ncc(F)cn3)c(C#N)c21 ZINC001197199076 1004118916 /nfs/dbraw/zinc/11/89/16/1004118916.db2.gz OLOROXVPVAWHBS-JTQLQIEISA-N -1 3 374.397 2.784 20 30 FFEDHM COC(=O)c1cc(C#N)cc([N-]C(=O)c2c(C)noc2C(F)(F)F)c1 ZINC001197598526 1004293427 /nfs/dbraw/zinc/29/34/27/1004293427.db2.gz BLIWFEHGDKTJNG-UHFFFAOYSA-N -1 3 353.256 2.912 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(Cl)cnc1Br ZINC001193271947 1004430804 /nfs/dbraw/zinc/43/08/04/1004430804.db2.gz VZKHPPMHMQLQJX-UHFFFAOYSA-N -1 3 369.606 2.937 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cccc(C#N)c1[O-])[C@H]2C ZINC001193643742 1004532827 /nfs/dbraw/zinc/53/28/27/1004532827.db2.gz BWKQTWYTWOXCDH-AWEZNQCLSA-N -1 3 367.453 2.518 20 30 FFEDHM CS(=O)(=O)c1cc(C(=O)[N-]c2c(C#N)ccc(F)c2F)ccc1F ZINC001194379826 1004727956 /nfs/dbraw/zinc/72/79/56/1004727956.db2.gz QXAGJMLQRUEJCC-UHFFFAOYSA-N -1 3 354.309 2.631 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccc(OC(F)F)n1 ZINC001199301086 1004898047 /nfs/dbraw/zinc/89/80/47/1004898047.db2.gz FEFIGVMQGNKLRC-UHFFFAOYSA-N -1 3 353.306 2.655 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001195135718 1004900195 /nfs/dbraw/zinc/90/01/95/1004900195.db2.gz CHYSXRORXVTIQY-UHFFFAOYSA-N -1 3 374.315 2.900 20 30 FFEDHM C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776280709 1005345761 /nfs/dbraw/zinc/34/57/61/1005345761.db2.gz WNBUHYREUHWPDT-CYBMUJFWSA-N -1 3 350.374 2.789 20 30 FFEDHM N#Cc1ccc(NN=C2[N-]S(=O)(=O)c3ccccc32)cc1C(F)(F)F ZINC001116196232 1032185723 /nfs/dbraw/zinc/18/57/23/1032185723.db2.gz TWOXOFPURHRBJI-UHFFFAOYSA-N -1 3 366.324 2.643 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(C)(C)CC)ccc1F ZINC000855368321 1007306768 /nfs/dbraw/zinc/30/67/68/1007306768.db2.gz LRNWVXZFRNENIR-LBPRGKRZSA-N -1 3 356.463 2.845 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(-c3ccccc3)nc2O)c([O-])cc1F ZINC001190269744 1007549741 /nfs/dbraw/zinc/54/97/41/1007549741.db2.gz HHLPVFNYLVREQY-UHFFFAOYSA-N -1 3 350.309 2.818 20 30 FFEDHM C=CCCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000856030004 1007671486 /nfs/dbraw/zinc/67/14/86/1007671486.db2.gz LYGGSVOIKGNGGM-CYBMUJFWSA-N -1 3 368.380 2.764 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(I)s1 ZINC001190532337 1007674941 /nfs/dbraw/zinc/67/49/41/1007674941.db2.gz WSGSNXZMJGHKHY-UHFFFAOYSA-N -1 3 357.238 2.597 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCOc3c(F)cc(F)cc32)c1 ZINC001190676900 1007744928 /nfs/dbraw/zinc/74/49/28/1007744928.db2.gz KIYCJXBYININOH-AWEZNQCLSA-N -1 3 368.336 2.778 20 30 FFEDHM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1ccccc1CC#N)c1ccccc1 ZINC000885845857 1007800641 /nfs/dbraw/zinc/80/06/41/1007800641.db2.gz UVTDBWMSFPASIG-LJQANCHMSA-N -1 3 372.446 2.509 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@@](C)(O)c1ccccc1 ZINC000819702550 1008211171 /nfs/dbraw/zinc/21/11/71/1008211171.db2.gz HKIFBKDFYJKDPQ-OAQYLSRUSA-N -1 3 367.449 2.574 20 30 FFEDHM O=C(Cc1cccc(OCc2ccccc2Cl)c1)N[C@@H]1CCN([O-])C1=O ZINC000820156366 1008294417 /nfs/dbraw/zinc/29/44/17/1008294417.db2.gz GZHHQZMZMRXPTA-QGZVFWFLSA-N -1 3 374.824 2.568 20 30 FFEDHM CC(C)(C(=O)Nc1ccc([O-])c(C#N)c1)c1ncc(Br)cn1 ZINC001177811992 1008757450 /nfs/dbraw/zinc/75/74/50/1008757450.db2.gz JOFDFCUCVZNGIE-UHFFFAOYSA-N -1 3 361.199 2.733 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2cc(C)ccn2)c(C)c1[O-] ZINC001178268867 1008932440 /nfs/dbraw/zinc/93/24/40/1008932440.db2.gz NMKYVWWKXKCQNF-UHFFFAOYSA-N -1 3 353.378 2.634 20 30 FFEDHM C#CCN1CC[C@]2(CCCN2C(=O)c2ccc(C(C)(C)C)cc2[O-])C1=O ZINC001274150811 1009462137 /nfs/dbraw/zinc/46/21/37/1009462137.db2.gz YGXUZNSYRBQRPT-OAQYLSRUSA-N -1 3 354.450 2.530 20 30 FFEDHM COc1ccc(C2(C(=O)Nc3ccc([O-])c(C#N)c3)CCOCC2)cc1 ZINC001180597369 1009765764 /nfs/dbraw/zinc/76/57/64/1009765764.db2.gz JFQZHQQFLJGPMI-UHFFFAOYSA-N -1 3 352.390 2.959 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000794580534 1010377495 /nfs/dbraw/zinc/37/74/95/1010377495.db2.gz ABMGWOVNIRBJOO-UHFFFAOYSA-N -1 3 373.409 2.819 20 30 FFEDHM C=CCN1CC[C@]2(CCCN2C(=O)c2cc(C(F)(F)F)ccc2[O-])C1=O ZINC001274551116 1011504950 /nfs/dbraw/zinc/50/49/50/1011504950.db2.gz HONQKPDFYVOQPP-QGZVFWFLSA-N -1 3 368.355 2.804 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN2Cc2cccc([O-])c2Br)C1=O ZINC001275208265 1012078664 /nfs/dbraw/zinc/07/86/64/1012078664.db2.gz FTTYVOJTLDRLKI-KRWDZBQOSA-N -1 3 365.271 2.908 20 30 FFEDHM COCc1sccc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000870143524 1012195832 /nfs/dbraw/zinc/19/58/32/1012195832.db2.gz UZJVSLXKUUVOJQ-ZDUSSCGKSA-N -1 3 374.418 2.873 20 30 FFEDHM CO[C@H]1CCn2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)nc2C1 ZINC000870378289 1012342157 /nfs/dbraw/zinc/34/21/57/1012342157.db2.gz FGGMVVAHVXRCMA-RYUDHWBXSA-N -1 3 364.327 2.748 20 30 FFEDHM N#CCCCN1CCC2(CCN(Cc3cc(F)c([O-])c(F)c3)CC2)C1=O ZINC001275433824 1012458420 /nfs/dbraw/zinc/45/84/20/1012458420.db2.gz TXQQYQDBNBBEQM-UHFFFAOYSA-N -1 3 363.408 2.789 20 30 FFEDHM C=CCCOCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871314050 1012847161 /nfs/dbraw/zinc/84/71/61/1012847161.db2.gz DWXWGGFFVBZUER-CYBMUJFWSA-N -1 3 370.371 2.778 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CCNc1ncccc1C#N ZINC001053266690 1018230170 /nfs/dbraw/zinc/23/01/70/1018230170.db2.gz JXSMBRVHNRZHFQ-GDBMZVCRSA-N -1 3 350.422 2.869 20 30 FFEDHM O=C(Cn1nnnc1-c1ccsc1)N([O-])Cc1cccc2ccccc21 ZINC000901370652 1019012182 /nfs/dbraw/zinc/01/21/82/1019012182.db2.gz CDYJBELITUNLER-UHFFFAOYSA-N -1 3 365.418 2.973 20 30 FFEDHM O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)N([O-])Cc1ccc(F)cc1 ZINC000900677736 1020579216 /nfs/dbraw/zinc/57/92/16/1020579216.db2.gz CYURFAWXZOGBDX-UHFFFAOYSA-N -1 3 373.306 2.532 20 30 FFEDHM N#Cc1ccc([C@H]2CN(Cc3nnc(-c4ccccc4[O-])o3)CCO2)cc1 ZINC000933633035 1021056315 /nfs/dbraw/zinc/05/63/15/1021056315.db2.gz UUBPYLHGKCSLBL-GOSISDBHSA-N -1 3 362.389 2.887 20 30 FFEDHM N#Cc1ccc([C@@H]2CN(Cc3nnc(-c4ccccc4[O-])o3)CCO2)cc1 ZINC000933633036 1021056420 /nfs/dbraw/zinc/05/64/20/1021056420.db2.gz UUBPYLHGKCSLBL-SFHVURJKSA-N -1 3 362.389 2.887 20 30 FFEDHM N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)c3ncccc3[O-])C2)s1 ZINC001098803484 1021163589 /nfs/dbraw/zinc/16/35/89/1021163589.db2.gz SIFHCZVXYXRGLI-DJJJIMSYSA-N -1 3 368.462 2.505 20 30 FFEDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3ccc(C#N)cc3)CC2)c1[O-] ZINC000750820654 1022584428 /nfs/dbraw/zinc/58/44/28/1022584428.db2.gz VJLZZPWGQQZPAN-UHFFFAOYSA-N -1 3 367.424 2.923 20 30 FFEDHM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001122449612 1023276749 /nfs/dbraw/zinc/27/67/49/1023276749.db2.gz UJQAJXWWGVYFJA-GOSISDBHSA-N -1 3 365.433 2.904 20 30 FFEDHM Cc1coc([N-]C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c1C#N ZINC001149088268 1023288265 /nfs/dbraw/zinc/28/82/65/1023288265.db2.gz NNTZGCPYKKTJPW-UHFFFAOYSA-N -1 3 374.205 2.666 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC(F)(F)CC1 ZINC001122481579 1023296120 /nfs/dbraw/zinc/29/61/20/1023296120.db2.gz GBRUUQKWUONVSI-UHFFFAOYSA-N -1 3 364.400 2.951 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001122566116 1023342836 /nfs/dbraw/zinc/34/28/36/1023342836.db2.gz CDPCEPLHOLWISR-HNNXBMFYSA-N -1 3 368.363 2.796 20 30 FFEDHM COCc1ccsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000779196611 1023346251 /nfs/dbraw/zinc/34/62/51/1023346251.db2.gz DQSWMMFZDRBBOA-CYBMUJFWSA-N -1 3 374.418 2.873 20 30 FFEDHM COc1cc(C(=O)OCc2cn3ccccc3c2C#N)cc(OC)c1[O-] ZINC000754277887 1023449338 /nfs/dbraw/zinc/44/93/38/1023449338.db2.gz UTPVNZNGKOVRMJ-UHFFFAOYSA-N -1 3 352.346 2.891 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2cc3c(cc2OC(F)F)OCO3)c1[O-] ZINC000756772315 1023754233 /nfs/dbraw/zinc/75/42/33/1023754233.db2.gz MBYPSNNINKQUAW-IOXNKQMXSA-N -1 3 366.320 2.537 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2ccc(Cl)cc2)n1 ZINC000757406761 1023820092 /nfs/dbraw/zinc/82/00/92/1023820092.db2.gz RBPPTDFEPCPZTN-CQSZACIVSA-N -1 3 365.780 2.882 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1cccnc1 ZINC000759236806 1024527633 /nfs/dbraw/zinc/52/76/33/1024527633.db2.gz IRQLREORMKNNSS-KIUWMYQTSA-N -1 3 365.389 2.808 20 30 FFEDHM COC(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1[O-] ZINC000759706159 1024730508 /nfs/dbraw/zinc/73/05/08/1024730508.db2.gz BGHIXNHIBOLCGL-UHFFFAOYSA-N -1 3 365.345 2.995 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001141462980 1026352095 /nfs/dbraw/zinc/35/20/95/1026352095.db2.gz AYZIALJBXDEBDI-YTRUQHMWSA-N -1 3 364.270 2.651 20 30 FFEDHM N#C[C@H]1CCCN(C(=O)c2c[n-]c3cc(Br)ccc3c2=O)C1 ZINC001153877099 1028041516 /nfs/dbraw/zinc/04/15/16/1028041516.db2.gz UEYGUHWBHPLODI-SNVBAGLBSA-N -1 3 360.211 2.666 20 30 FFEDHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802325 1028318187 /nfs/dbraw/zinc/31/81/87/1028318187.db2.gz RAZPGXSAOFGJQF-XJKSGUPXSA-N -1 3 358.438 2.963 20 30 FFEDHM COc1ccc2ncc([O-])c(C(=O)NC3(C#N)Cc4ccccc4C3)c2c1 ZINC001154517561 1028331083 /nfs/dbraw/zinc/33/10/83/1028331083.db2.gz JOLUJZUHSJKFFK-UHFFFAOYSA-N -1 3 359.385 2.740 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCc2ccc3nnc(C)n3c2)n1 ZINC001162134699 1028447521 /nfs/dbraw/zinc/44/75/21/1028447521.db2.gz FHQLGTWCLUKOKI-UBKPWBPPSA-N -1 3 363.834 2.623 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3scnc3[nH]2)c(C)c1[O-] ZINC001155521028 1028774015 /nfs/dbraw/zinc/77/40/15/1028774015.db2.gz VELCGZCVUINKMH-UHFFFAOYSA-N -1 3 370.390 2.939 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cnc2cc(C3CC3)nn2c1 ZINC001155855839 1028944945 /nfs/dbraw/zinc/94/49/45/1028944945.db2.gz MWAVQRQDAQRTDC-UHFFFAOYSA-N -1 3 367.390 2.579 20 30 FFEDHM Cc1ccnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1C(N)=O ZINC001155908953 1028971253 /nfs/dbraw/zinc/97/12/53/1028971253.db2.gz DZPIIBGWDBVYPP-UHFFFAOYSA-N -1 3 354.288 2.635 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000782195030 1029607225 /nfs/dbraw/zinc/60/72/25/1029607225.db2.gz ZRVOIDXWZDLLHJ-KEBOPYBWSA-N -1 3 363.458 2.843 20 30 FFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(Cc2cccnc2)nn1 ZINC000783702541 1030243774 /nfs/dbraw/zinc/24/37/74/1030243774.db2.gz ZDKNKVZYXCWKKE-NGPAHMQLSA-N -1 3 350.353 2.950 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](O/C(=N\[O-])c2ccccn2)C1 ZINC001223982755 1033670438 /nfs/dbraw/zinc/67/04/38/1033670438.db2.gz YELWDBSEXSRWGW-HLBVEJKMSA-N -1 3 357.357 2.879 20 30 FFEDHM CC1=C(Oc2cc(C)cc([O-])c2I)C(=O)[C@H](C)O1 ZINC001225509959 1034283689 /nfs/dbraw/zinc/28/36/89/1034283689.db2.gz ADIGGGOEDVBPGO-ZETCQYMHSA-N -1 3 360.147 2.903 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC2(CCC2)O1 ZINC000832344484 1034740190 /nfs/dbraw/zinc/74/01/90/1034740190.db2.gz BRXMMQIDZWIBEU-OAHLLOKOSA-N -1 3 357.454 2.816 20 30 FFEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232270827 1035541205 /nfs/dbraw/zinc/54/12/05/1035541205.db2.gz JQMPMWKOWUFBQN-CYBMUJFWSA-N -1 3 354.834 2.931 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2nc3ccc(C(=O)OCC)cc3[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001227706200 1035687799 /nfs/dbraw/zinc/68/77/99/1035687799.db2.gz GGZRMUKLGVZMLE-QBYUYEEZSA-N -1 3 374.393 2.549 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2nc3cc(C(=O)OCC)ccc3[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001227706200 1035687807 /nfs/dbraw/zinc/68/78/07/1035687807.db2.gz GGZRMUKLGVZMLE-QBYUYEEZSA-N -1 3 374.393 2.549 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227747175 1035714441 /nfs/dbraw/zinc/71/44/41/1035714441.db2.gz XYKJCZBCWIENNZ-QMTHXVAHSA-N -1 3 373.369 2.609 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227747175 1035714457 /nfs/dbraw/zinc/71/44/57/1035714457.db2.gz XYKJCZBCWIENNZ-QMTHXVAHSA-N -1 3 373.369 2.609 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(C#N)cc1[O-])[C@H]2C ZINC001233384797 1036586376 /nfs/dbraw/zinc/58/63/76/1036586376.db2.gz ITTFUDWZVAULSS-HNNXBMFYSA-N -1 3 353.470 2.877 20 30 FFEDHM CCCC#CC(=O)N1CC2(C[C@H]2C(=O)Nc2nc3c(cccc3[O-])s2)C1 ZINC001277875679 1037135879 /nfs/dbraw/zinc/13/58/79/1037135879.db2.gz FLFMBGBHCXPGGG-LBPRGKRZSA-N -1 3 369.446 2.592 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562980 1037686841 /nfs/dbraw/zinc/68/68/41/1037686841.db2.gz KXIVMKGKPYUXRZ-QUCCMNQESA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562980 1037686846 /nfs/dbraw/zinc/68/68/46/1037686846.db2.gz KXIVMKGKPYUXRZ-QUCCMNQESA-N -1 3 361.438 2.664 20 30 FFEDHM COc1cc(C#N)ccc1CN1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001231621427 1037744667 /nfs/dbraw/zinc/74/46/67/1037744667.db2.gz YOJSVAVLPWJYMP-HNNXBMFYSA-N -1 3 359.426 2.583 20 30 FFEDHM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(Cl)c1Cl ZINC001277992515 1038170603 /nfs/dbraw/zinc/17/06/03/1038170603.db2.gz IXFZVCJLIUAKQL-ZIAGYGMSSA-N -1 3 353.249 2.898 20 30 FFEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1sccc1C(=O)[O-] ZINC001276569763 1038431729 /nfs/dbraw/zinc/43/17/29/1038431729.db2.gz TYIIZQHNDAPQNY-GOSISDBHSA-N -1 3 361.467 2.707 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(-c2cnc(OC)c([O-])c2)nc1C(F)(F)F ZINC001244843271 1038791716 /nfs/dbraw/zinc/79/17/16/1038791716.db2.gz JZQJRXOKWRLKBP-UHFFFAOYSA-N -1 3 367.283 2.925 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)cnc1F ZINC001258196267 1039262063 /nfs/dbraw/zinc/26/20/63/1039262063.db2.gz CXBLKUMEFIDBMV-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259115321 1039724482 /nfs/dbraw/zinc/72/44/82/1039724482.db2.gz JRQXVOUQMVEFGQ-DAXSKMNVSA-N -1 3 352.721 2.525 20 30 FFEDHM COc1cc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc(Cl)c1[O-] ZINC001259421613 1039991024 /nfs/dbraw/zinc/99/10/24/1039991024.db2.gz FTHCSDNLKQMKPU-UHFFFAOYSA-N -1 3 370.789 2.543 20 30 FFEDHM N#Cc1ccc(-c2noc(-c3cc(=O)c(OCc4ccccc4)c[n-]3)n2)nc1 ZINC001213228451 1040353615 /nfs/dbraw/zinc/35/36/15/1040353615.db2.gz ZGSOJIQJEYEPKN-UHFFFAOYSA-N -1 3 371.356 2.938 20 30 FFEDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)c1 ZINC001260846241 1040849682 /nfs/dbraw/zinc/84/96/82/1040849682.db2.gz IVSSXVRPRDNNNE-UHFFFAOYSA-N -1 3 370.308 2.563 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NCC#Cc1cccc(Cl)c1 ZINC001214493603 1041457825 /nfs/dbraw/zinc/45/78/25/1041457825.db2.gz RGPGZSHTQQSSOC-RHSMWYFYSA-N -1 3 369.852 2.542 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc([O-])c(Nc2cccc(Cl)c2C#N)c1 ZINC001216128369 1041959382 /nfs/dbraw/zinc/95/93/82/1041959382.db2.gz VCJFOFXVRCYMLK-UHFFFAOYSA-N -1 3 351.815 2.911 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccns1 ZINC001309738433 1043503035 /nfs/dbraw/zinc/50/30/35/1043503035.db2.gz WGDDUZFEYYHAAW-MRVPVSSYSA-N -1 3 372.269 2.817 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(OCC(F)(F)F)n2)c1[O-] ZINC001322139435 1045965778 /nfs/dbraw/zinc/96/57/78/1045965778.db2.gz BOBQIVNUBAZMMB-IFRROFPPSA-N -1 3 355.316 2.543 20 30 FFEDHM C#CC1CCN(c2nnc(-c3cnc[n-]c3=O)n2CCc2ccccc2)CC1 ZINC001341557248 1050185166 /nfs/dbraw/zinc/18/51/66/1050185166.db2.gz OKTXONQKWTVUTP-UHFFFAOYSA-N -1 3 374.448 2.533 20 30 FFEDHM CCOCCOc1cc(C)ccc1C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001340222299 1050630604 /nfs/dbraw/zinc/63/06/04/1050630604.db2.gz PCFKKPZLRYWQDI-UHFFFAOYSA-N -1 3 374.462 2.649 20 30 FFEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](CF)C1 ZINC001342196402 1050788207 /nfs/dbraw/zinc/78/82/07/1050788207.db2.gz RFGWFKXHOLDIGQ-GFCCVEGCSA-N -1 3 358.421 2.690 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC1CC1)CC1CCC1 ZINC001340716633 1051077387 /nfs/dbraw/zinc/07/73/87/1051077387.db2.gz TWDHTEODJYDVDF-UHFFFAOYSA-N -1 3 354.458 2.952 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccc1-n1cncn1 ZINC001342581068 1051186881 /nfs/dbraw/zinc/18/68/81/1051186881.db2.gz WMMKPOZMXQRBTC-HNNXBMFYSA-N -1 3 369.388 2.591 20 30 FFEDHM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc(N)c2ccccc2n1 ZINC001342608802 1051215502 /nfs/dbraw/zinc/21/55/02/1051215502.db2.gz YSZHMIXCDIJIJT-OAHLLOKOSA-N -1 3 373.372 2.659 20 30 FFEDHM COC(=O)c1cc(NC(=O)[C@H](CC#N)c2ccccc2)c([O-])c(OC)c1 ZINC001304506226 1051627189 /nfs/dbraw/zinc/62/71/89/1051627189.db2.gz WDSSJUGOUZWOQF-CQSZACIVSA-N -1 3 354.362 2.823 20 30 FFEDHM C#CCC1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@@H]3C2)CCC1 ZINC001345003649 1052192907 /nfs/dbraw/zinc/19/29/07/1052192907.db2.gz NIQQEZPTRBBJFG-SJORKVTESA-N -1 3 366.461 2.506 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)cc1OC(F)F ZINC001309370763 1052607117 /nfs/dbraw/zinc/60/71/17/1052607117.db2.gz LHCVGNJIEOMGBA-SECBINFHSA-N -1 3 371.340 2.733 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(F)c1Br ZINC001337906065 1055094520 /nfs/dbraw/zinc/09/45/20/1055094520.db2.gz DVOCKSYVDGUDQW-SECBINFHSA-N -1 3 351.179 2.882 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C1Cc2ccccc2C1 ZINC001356133414 1055319788 /nfs/dbraw/zinc/31/97/88/1055319788.db2.gz HEAWLJYOTGZFME-UHFFFAOYSA-N -1 3 362.437 2.539 20 30 FFEDHM COC(=O)c1cc([N-]C(=O)c2occc2COc2cccc(C#N)c2)on1 ZINC001544056187 1071588359 /nfs/dbraw/zinc/58/83/59/1071588359.db2.gz TZBKRTDSUDSKIF-UHFFFAOYSA-N -1 3 367.317 2.757 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(C(C)(C)C)n1 ZINC000847623815 1056196715 /nfs/dbraw/zinc/19/67/15/1056196715.db2.gz GVNPGTOLPWQOIN-ZDUSSCGKSA-N -1 3 354.410 2.998 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H]1c1csc(C)n1 ZINC001339605911 1056629201 /nfs/dbraw/zinc/62/92/01/1056629201.db2.gz BLBGHNYXKDUWHL-CQSZACIVSA-N -1 3 369.454 2.733 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(SC)n1 ZINC001544529946 1071655905 /nfs/dbraw/zinc/65/59/05/1071655905.db2.gz QJSNMHGTIWXLEU-QMMMGPOBSA-N -1 3 361.855 2.501 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)CC(F)(F)C(F)F)C1=O ZINC001448742653 1058815149 /nfs/dbraw/zinc/81/51/49/1058815149.db2.gz DCNBWZHSDTUWKU-AWEZNQCLSA-N -1 3 369.359 2.979 20 30 FFEDHM O=C(CC(Cc1ccccc1)Cc1ccccc1)N[C@H]1CCCN([O-])C1=O ZINC000848135953 1059107426 /nfs/dbraw/zinc/10/74/26/1059107426.db2.gz JRKFINOYOCNXOM-FQEVSTJZSA-N -1 3 366.461 2.975 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CCCOC ZINC001520197993 1059476482 /nfs/dbraw/zinc/47/64/82/1059476482.db2.gz LJKVNWJMFSUSPS-UHFFFAOYSA-N -1 3 359.455 2.919 20 30 FFEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)Cc1ccc2ccccc2c1 ZINC001520271764 1059556362 /nfs/dbraw/zinc/55/63/62/1059556362.db2.gz JOUMMSGFGDVYPB-UHFFFAOYSA-N -1 3 374.452 2.552 20 30 FFEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)Cc1ccc2ccccc2c1 ZINC001520271764 1059556378 /nfs/dbraw/zinc/55/63/78/1059556378.db2.gz JOUMMSGFGDVYPB-UHFFFAOYSA-N -1 3 374.452 2.552 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001520596221 1059853207 /nfs/dbraw/zinc/85/32/07/1059853207.db2.gz LBYJSFRPOCJKML-GFCCVEGCSA-N -1 3 365.869 2.688 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001520596221 1059853229 /nfs/dbraw/zinc/85/32/29/1059853229.db2.gz LBYJSFRPOCJKML-GFCCVEGCSA-N -1 3 365.869 2.688 20 30 FFEDHM O=C(CNC(=O)c1cc(Cl)ccn1)N([O-])CCCCc1ccccc1 ZINC001457991374 1060486116 /nfs/dbraw/zinc/48/61/16/1060486116.db2.gz FACMNMADNRMGJH-UHFFFAOYSA-N -1 3 361.829 2.706 20 30 FFEDHM Cc1nn(CCC#N)c(C)c1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001463286029 1062033740 /nfs/dbraw/zinc/03/37/40/1062033740.db2.gz IJKWNYOECLCOAO-UHFFFAOYSA-N -1 3 367.409 2.541 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)nc1 ZINC001463550446 1062155647 /nfs/dbraw/zinc/15/56/47/1062155647.db2.gz CNFMUAFDPGLFQD-CYBMUJFWSA-N -1 3 355.341 2.578 20 30 FFEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3ccc(Cl)nc3F)CC2)c1 ZINC001463692178 1062213215 /nfs/dbraw/zinc/21/32/15/1062213215.db2.gz WUHIQWCETAOMDJ-UHFFFAOYSA-N -1 3 351.790 2.713 20 30 FFEDHM C=CCCCCCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC001463821721 1062280948 /nfs/dbraw/zinc/28/09/48/1062280948.db2.gz TYMQSADSUKDEAQ-UHFFFAOYSA-N -1 3 364.309 2.988 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1Br ZINC001464620140 1062719627 /nfs/dbraw/zinc/71/96/27/1062719627.db2.gz JMGIODOVHWQKIP-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1Br ZINC001464620140 1062719643 /nfs/dbraw/zinc/71/96/43/1062719643.db2.gz JMGIODOVHWQKIP-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM CCC[C@@H](C#N)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001442585937 1063543890 /nfs/dbraw/zinc/54/38/90/1063543890.db2.gz YFXDZCUUAXSCEG-VIFPVBQESA-N -1 3 353.300 2.849 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001581858718 1079009820 /nfs/dbraw/zinc/00/98/20/1079009820.db2.gz SLJIBZWCCXFUET-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001581858718 1079009826 /nfs/dbraw/zinc/00/98/26/1079009826.db2.gz SLJIBZWCCXFUET-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc(OCc2ccccc2)cc1 ZINC001584708294 1079380707 /nfs/dbraw/zinc/38/07/07/1079380707.db2.gz CYVWNGRJASIRMN-SFHVURJKSA-N -1 3 360.373 2.756 20 30 FFEDHM C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001556527789 1075749790 /nfs/dbraw/zinc/74/97/90/1075749790.db2.gz GBYVWLRTIKNOMH-DZKIICNBSA-N -1 3 366.421 2.564 20 30 FFEDHM N#Cc1ccc2c(c1)CN(C(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)C2 ZINC001557207064 1075822376 /nfs/dbraw/zinc/82/23/76/1075822376.db2.gz PPYMEDBRNHSTEK-UHFFFAOYSA-N -1 3 351.312 2.834 20 30 FFEDHM CCO[C@H]1C[C@@H](N(C)Cc2cc(=O)n3[n-]cc(C#N)c3n2)C12CCCCC2 ZINC001559574396 1076174373 /nfs/dbraw/zinc/17/43/73/1076174373.db2.gz YLVJSLXKXPKIAI-SJORKVTESA-N -1 3 369.469 2.866 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573307851 1077666080 /nfs/dbraw/zinc/66/60/80/1077666080.db2.gz WHXDJGWVCVFGOU-DNVCBOLYSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573307851 1077666082 /nfs/dbraw/zinc/66/60/82/1077666082.db2.gz WHXDJGWVCVFGOU-DNVCBOLYSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573307849 1077666237 /nfs/dbraw/zinc/66/62/37/1077666237.db2.gz WHXDJGWVCVFGOU-BEFAXECRSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573307849 1077666239 /nfs/dbraw/zinc/66/62/39/1077666239.db2.gz WHXDJGWVCVFGOU-BEFAXECRSA-N -1 3 371.489 2.725 20 30 FFEDHM CC(C)(NC(=O)NCc1ccc(C#N)s1)c1cccc(-c2nnn[n-]2)c1 ZINC001573920013 1077847234 /nfs/dbraw/zinc/84/72/34/1077847234.db2.gz MBUHZMHNCNVRAO-UHFFFAOYSA-N -1 3 367.438 2.534 20 30 FFEDHM CC(C)(NC(=O)NCc1ccc(C#N)s1)c1cccc(-c2nn[n-]n2)c1 ZINC001573920013 1077847236 /nfs/dbraw/zinc/84/72/36/1077847236.db2.gz MBUHZMHNCNVRAO-UHFFFAOYSA-N -1 3 367.438 2.534 20 30 FFEDHM C#C[C@H](C)N(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C/C=C/CC ZINC001588325984 1079983615 /nfs/dbraw/zinc/98/36/15/1079983615.db2.gz AXDJJXAQVFYEDF-NPQIQWPPSA-N -1 3 362.441 2.549 20 30 FFEDHM C#C[C@H](C)N(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C/C=C/CC ZINC001588325984 1079983621 /nfs/dbraw/zinc/98/36/21/1079983621.db2.gz AXDJJXAQVFYEDF-NPQIQWPPSA-N -1 3 362.441 2.549 20 30 FFEDHM C#C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Br)c1ccccc1 ZINC001588329016 1079985877 /nfs/dbraw/zinc/98/58/77/1079985877.db2.gz VZGABFAKVAIUOL-ZDUSSCGKSA-N -1 3 355.199 2.811 20 30 FFEDHM C#C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC001588329016 1079985882 /nfs/dbraw/zinc/98/58/82/1079985882.db2.gz VZGABFAKVAIUOL-ZDUSSCGKSA-N -1 3 355.199 2.811 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588334145 1079987759 /nfs/dbraw/zinc/98/77/59/1079987759.db2.gz PIAYHGYIIWYUEH-IBGZPJMESA-N -1 3 374.448 2.643 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588334145 1079987760 /nfs/dbraw/zinc/98/77/60/1079987760.db2.gz PIAYHGYIIWYUEH-IBGZPJMESA-N -1 3 374.448 2.643 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC001588337299 1079989376 /nfs/dbraw/zinc/98/93/76/1079989376.db2.gz MRICVYLILRAJEV-CYBMUJFWSA-N -1 3 354.414 2.531 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC001588337299 1079989380 /nfs/dbraw/zinc/98/93/80/1079989380.db2.gz MRICVYLILRAJEV-CYBMUJFWSA-N -1 3 354.414 2.531 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001588336783 1079989432 /nfs/dbraw/zinc/98/94/32/1079989432.db2.gz FLDPZVHVCLITCU-JTQLQIEISA-N -1 3 364.331 2.763 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001588336783 1079989434 /nfs/dbraw/zinc/98/94/34/1079989434.db2.gz FLDPZVHVCLITCU-JTQLQIEISA-N -1 3 364.331 2.763 20 30 FFEDHM C#CCCCC(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588338827 1079989956 /nfs/dbraw/zinc/98/99/56/1079989956.db2.gz HIOAFYHOZGXVTG-AWEZNQCLSA-N -1 3 370.432 2.602 20 30 FFEDHM C#CCCCC(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588338827 1079989962 /nfs/dbraw/zinc/98/99/62/1079989962.db2.gz HIOAFYHOZGXVTG-AWEZNQCLSA-N -1 3 370.432 2.602 20 30 FFEDHM C#CCCCCCCn1cc(COc2ccccc2-c2nnn[n-]2)nn1 ZINC001588345793 1079990231 /nfs/dbraw/zinc/99/02/31/1079990231.db2.gz LHKGNBBSXTXYAC-UHFFFAOYSA-N -1 3 351.414 2.621 20 30 FFEDHM C#CCCCCCCn1cc(COc2ccccc2-c2nn[n-]n2)nn1 ZINC001588345793 1079990234 /nfs/dbraw/zinc/99/02/34/1079990234.db2.gz LHKGNBBSXTXYAC-UHFFFAOYSA-N -1 3 351.414 2.621 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001588345910 1079990542 /nfs/dbraw/zinc/99/05/42/1079990542.db2.gz VSMPTFQBNFQOMA-DLBZAZTESA-N -1 3 374.452 2.527 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H]2CCC[C@H]21 ZINC001588345910 1079990546 /nfs/dbraw/zinc/99/05/46/1079990546.db2.gz VSMPTFQBNFQOMA-DLBZAZTESA-N -1 3 374.452 2.527 20 30 FFEDHM C#CCCCCC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588343878 1079990624 /nfs/dbraw/zinc/99/06/24/1079990624.db2.gz VFFMMOZXAPNXEQ-CQSZACIVSA-N -1 3 351.332 2.780 20 30 FFEDHM C#CCCCCC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588343878 1079990629 /nfs/dbraw/zinc/99/06/29/1079990629.db2.gz VFFMMOZXAPNXEQ-CQSZACIVSA-N -1 3 351.332 2.780 20 30 FFEDHM C#CCCC[C@H](C)OC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588342420 1079990807 /nfs/dbraw/zinc/99/08/07/1079990807.db2.gz YTKOPDZKBHWNJM-VIFPVBQESA-N -1 3 353.304 2.629 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588350580 1079992145 /nfs/dbraw/zinc/99/21/45/1079992145.db2.gz GDRFPWUSAIVSHX-UHFFFAOYSA-N -1 3 366.425 2.838 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588350580 1079992149 /nfs/dbraw/zinc/99/21/49/1079992149.db2.gz GDRFPWUSAIVSHX-UHFFFAOYSA-N -1 3 366.425 2.838 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001588359973 1079992507 /nfs/dbraw/zinc/99/25/07/1079992507.db2.gz DOCLZDMAIIQQEI-CYBMUJFWSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001588359973 1079992515 /nfs/dbraw/zinc/99/25/15/1079992515.db2.gz DOCLZDMAIIQQEI-CYBMUJFWSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588360588 1079992628 /nfs/dbraw/zinc/99/26/28/1079992628.db2.gz RIDRMNWYBPHVPM-ZDUSSCGKSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588360588 1079992636 /nfs/dbraw/zinc/99/26/36/1079992636.db2.gz RIDRMNWYBPHVPM-ZDUSSCGKSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCSCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001588364122 1079993261 /nfs/dbraw/zinc/99/32/61/1079993261.db2.gz VIAIZXNOGRWCPP-UHFFFAOYSA-N -1 3 356.224 2.547 20 30 FFEDHM C#CCSCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001588364122 1079993266 /nfs/dbraw/zinc/99/32/66/1079993266.db2.gz VIAIZXNOGRWCPP-UHFFFAOYSA-N -1 3 356.224 2.547 20 30 FFEDHM C#CCSCCNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001588363863 1079993354 /nfs/dbraw/zinc/99/33/54/1079993354.db2.gz GBFPRSYXHLYXDB-UHFFFAOYSA-N -1 3 367.482 2.571 20 30 FFEDHM C#CCSCCNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001588363863 1079993363 /nfs/dbraw/zinc/99/33/63/1079993363.db2.gz GBFPRSYXHLYXDB-UHFFFAOYSA-N -1 3 367.482 2.571 20 30 FFEDHM C#CCOc1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588362279 1079993572 /nfs/dbraw/zinc/99/35/72/1079993572.db2.gz ZZHFKPNJTJUPBR-UHFFFAOYSA-N -1 3 368.328 2.538 20 30 FFEDHM C#CCOc1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588362279 1079993576 /nfs/dbraw/zinc/99/35/76/1079993576.db2.gz ZZHFKPNJTJUPBR-UHFFFAOYSA-N -1 3 368.328 2.538 20 30 FFEDHM C#CCOc1cccc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001588362942 1079994005 /nfs/dbraw/zinc/99/40/05/1079994005.db2.gz ACFKGBFAUOFVRL-UHFFFAOYSA-N -1 3 351.322 2.888 20 30 FFEDHM C#CCOc1cccc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001588362942 1079994008 /nfs/dbraw/zinc/99/40/08/1079994008.db2.gz ACFKGBFAUOFVRL-UHFFFAOYSA-N -1 3 351.322 2.888 20 30 FFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccccc2-c2nnn[n-]2)c1 ZINC001588375358 1079997742 /nfs/dbraw/zinc/99/77/42/1079997742.db2.gz QRDSTTYJMXBPLR-UHFFFAOYSA-N -1 3 361.434 2.559 20 30 FFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccccc2-c2nn[n-]n2)c1 ZINC001588375358 1079997748 /nfs/dbraw/zinc/99/77/48/1079997748.db2.gz QRDSTTYJMXBPLR-UHFFFAOYSA-N -1 3 361.434 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588392668 1080004683 /nfs/dbraw/zinc/00/46/83/1080004683.db2.gz FRFYGOBGAVUAGH-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588392668 1080004694 /nfs/dbraw/zinc/00/46/94/1080004694.db2.gz FRFYGOBGAVUAGH-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC001588401145 1080010671 /nfs/dbraw/zinc/01/06/71/1080010671.db2.gz METCPLQKKYTBRW-DYZYQPBXSA-N -1 3 372.379 2.508 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC001588401145 1080010678 /nfs/dbraw/zinc/01/06/78/1080010678.db2.gz METCPLQKKYTBRW-DYZYQPBXSA-N -1 3 372.379 2.508 20 30 FFEDHM C=C(C)CCC(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588409100 1080012670 /nfs/dbraw/zinc/01/26/70/1080012670.db2.gz AREJQKXFQPPKOL-UHFFFAOYSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCC(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588409100 1080012678 /nfs/dbraw/zinc/01/26/78/1080012678.db2.gz AREJQKXFQPPKOL-UHFFFAOYSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCOC(=O)COc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588424925 1080023432 /nfs/dbraw/zinc/02/34/32/1080023432.db2.gz RFPZWIIBPBJCCM-UHFFFAOYSA-N -1 3 367.203 2.517 20 30 FFEDHM C=C(C)CCOC(=O)COc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588424925 1080023440 /nfs/dbraw/zinc/02/34/40/1080023440.db2.gz RFPZWIIBPBJCCM-UHFFFAOYSA-N -1 3 367.203 2.517 20 30 FFEDHM C=C(C)CN(CC)C(=O)COc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588426055 1080023839 /nfs/dbraw/zinc/02/38/39/1080023839.db2.gz JETIPAVSHNVKTM-UHFFFAOYSA-N -1 3 369.347 2.689 20 30 FFEDHM C=C(C)CN(CC)C(=O)COc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588426055 1080023845 /nfs/dbraw/zinc/02/38/45/1080023845.db2.gz JETIPAVSHNVKTM-UHFFFAOYSA-N -1 3 369.347 2.689 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCCCC1 ZINC001588436598 1080027345 /nfs/dbraw/zinc/02/73/45/1080027345.db2.gz MYGFDNCMMZGCGS-UHFFFAOYSA-N -1 3 350.430 2.692 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCCCC1 ZINC001588436598 1080027351 /nfs/dbraw/zinc/02/73/51/1080027351.db2.gz MYGFDNCMMZGCGS-UHFFFAOYSA-N -1 3 350.430 2.692 20 30 FFEDHM C=C[C@H](C(=O)NCCNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC001588469003 1080039274 /nfs/dbraw/zinc/03/92/74/1080039274.db2.gz ZQNMMQZWCAKJDX-AWEZNQCLSA-N -1 3 366.400 2.504 20 30 FFEDHM C=C[C@H](C(=O)NCCNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC001588469003 1080039281 /nfs/dbraw/zinc/03/92/81/1080039281.db2.gz ZQNMMQZWCAKJDX-AWEZNQCLSA-N -1 3 366.400 2.504 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](C)CCCNc1snc(C)c1-c1nnn[n-]1 ZINC001588475823 1080041250 /nfs/dbraw/zinc/04/12/50/1080041250.db2.gz OGNFBEGHPDMYSR-SNVBAGLBSA-N -1 3 363.491 2.541 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)CC(C)C ZINC001588492017 1080053489 /nfs/dbraw/zinc/05/34/89/1080053489.db2.gz NOKMRFIECISUST-BEFAXECRSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)CC(C)C ZINC001588492017 1080053493 /nfs/dbraw/zinc/05/34/93/1080053493.db2.gz NOKMRFIECISUST-BEFAXECRSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588492479 1080054456 /nfs/dbraw/zinc/05/44/56/1080054456.db2.gz RTZHLWMUVJQTFO-KPZWWZAWSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588492479 1080054467 /nfs/dbraw/zinc/05/44/67/1080054467.db2.gz RTZHLWMUVJQTFO-KPZWWZAWSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588494229 1080058396 /nfs/dbraw/zinc/05/83/96/1080058396.db2.gz PXSGRUAYCCQOMC-GOSISDBHSA-N -1 3 369.473 2.562 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588494229 1080058404 /nfs/dbraw/zinc/05/84/04/1080058404.db2.gz PXSGRUAYCCQOMC-GOSISDBHSA-N -1 3 369.473 2.562 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588496117 1080058674 /nfs/dbraw/zinc/05/86/74/1080058674.db2.gz NIVFDAXAMREGTR-CLCXKQKWSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588496117 1080058683 /nfs/dbraw/zinc/05/86/83/1080058683.db2.gz NIVFDAXAMREGTR-CLCXKQKWSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588521238 1080073856 /nfs/dbraw/zinc/07/38/56/1080073856.db2.gz KBGZPWHEZUTFGZ-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588521238 1080073863 /nfs/dbraw/zinc/07/38/63/1080073863.db2.gz KBGZPWHEZUTFGZ-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588525656 1080078680 /nfs/dbraw/zinc/07/86/80/1080078680.db2.gz ZOCKNOAJGAJVMW-SOUVJXGZSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588525656 1080078687 /nfs/dbraw/zinc/07/86/87/1080078687.db2.gz ZOCKNOAJGAJVMW-SOUVJXGZSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCCN(c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588537867 1080085144 /nfs/dbraw/zinc/08/51/44/1080085144.db2.gz AUZBJBDLKATMFU-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCCN(c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588537867 1080085148 /nfs/dbraw/zinc/08/51/48/1080085148.db2.gz AUZBJBDLKATMFU-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588551824 1080092044 /nfs/dbraw/zinc/09/20/44/1080092044.db2.gz ISZVEBRPNAFHLY-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588551824 1080092052 /nfs/dbraw/zinc/09/20/52/1080092052.db2.gz ISZVEBRPNAFHLY-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(CNC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588557613 1080095454 /nfs/dbraw/zinc/09/54/54/1080095454.db2.gz QAIISUZQJUXSLZ-AWEZNQCLSA-N -1 3 355.442 2.887 20 30 FFEDHM C=CCC1(CN[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001588557850 1080096652 /nfs/dbraw/zinc/09/66/52/1080096652.db2.gz VRUWKOJNZPWVCP-INIZCTEOSA-N -1 3 355.442 2.807 20 30 FFEDHM C=CCC1(CN[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001588557850 1080096661 /nfs/dbraw/zinc/09/66/61/1080096661.db2.gz VRUWKOJNZPWVCP-INIZCTEOSA-N -1 3 355.442 2.807 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588566899 1080101587 /nfs/dbraw/zinc/10/15/87/1080101587.db2.gz OHKVRUGMXVOIRN-ZBFHGGJFSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588566899 1080101589 /nfs/dbraw/zinc/10/15/89/1080101589.db2.gz OHKVRUGMXVOIRN-ZBFHGGJFSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCC(=O)N[C@H](C)CCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588570653 1080102709 /nfs/dbraw/zinc/10/27/09/1080102709.db2.gz AFSHJTDZLSLELG-LLVKDONJSA-N -1 3 363.853 2.578 20 30 FFEDHM C=CCCC(=O)N[C@H](C)CCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588570653 1080102714 /nfs/dbraw/zinc/10/27/14/1080102714.db2.gz AFSHJTDZLSLELG-LLVKDONJSA-N -1 3 363.853 2.578 20 30 FFEDHM C=CCCCC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588583271 1080108763 /nfs/dbraw/zinc/10/87/63/1080108763.db2.gz WORXRHIKPZQOHA-UHFFFAOYSA-N -1 3 360.437 2.647 20 30 FFEDHM C=CCCCC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588583271 1080108766 /nfs/dbraw/zinc/10/87/66/1080108766.db2.gz WORXRHIKPZQOHA-UHFFFAOYSA-N -1 3 360.437 2.647 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588588716 1080112723 /nfs/dbraw/zinc/11/27/23/1080112723.db2.gz XNEXZKVBENWFTE-ZBFHGGJFSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588588716 1080112726 /nfs/dbraw/zinc/11/27/26/1080112726.db2.gz XNEXZKVBENWFTE-ZBFHGGJFSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCCCCCNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588594217 1080116695 /nfs/dbraw/zinc/11/66/95/1080116695.db2.gz PWXSVBRWOQKJOY-UHFFFAOYSA-N -1 3 363.487 2.980 20 30 FFEDHM C=CCCCCCCCNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588594217 1080116697 /nfs/dbraw/zinc/11/66/97/1080116697.db2.gz PWXSVBRWOQKJOY-UHFFFAOYSA-N -1 3 363.487 2.980 20 30 FFEDHM C=CCCCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001588596579 1080116934 /nfs/dbraw/zinc/11/69/34/1080116934.db2.gz UZLCWFMMOORKHS-UHFFFAOYSA-N -1 3 358.471 2.947 20 30 FFEDHM C=CCCOCCNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001588617989 1080123815 /nfs/dbraw/zinc/12/38/15/1080123815.db2.gz LUFFWLBZFVYSIO-UHFFFAOYSA-N -1 3 367.457 2.797 20 30 FFEDHM C=CCCOCCNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001588617989 1080123820 /nfs/dbraw/zinc/12/38/20/1080123820.db2.gz LUFFWLBZFVYSIO-UHFFFAOYSA-N -1 3 367.457 2.797 20 30 FFEDHM C=CCCSCCNc1ncc(-c2nnn[n-]2)cc1Br ZINC001588620733 1080123947 /nfs/dbraw/zinc/12/39/47/1080123947.db2.gz FHVYJOWYDJXDPA-UHFFFAOYSA-N -1 3 355.265 2.745 20 30 FFEDHM C=CCCSCCNc1ncc(-c2nn[n-]n2)cc1Br ZINC001588620733 1080123953 /nfs/dbraw/zinc/12/39/53/1080123953.db2.gz FHVYJOWYDJXDPA-UHFFFAOYSA-N -1 3 355.265 2.745 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1c(C)noc1C ZINC001588639653 1080133521 /nfs/dbraw/zinc/13/35/21/1080133521.db2.gz DNVNMNAXVGTEHP-UHFFFAOYSA-N -1 3 366.425 2.619 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1c(C)noc1C ZINC001588639653 1080133525 /nfs/dbraw/zinc/13/35/25/1080133525.db2.gz DNVNMNAXVGTEHP-UHFFFAOYSA-N -1 3 366.425 2.619 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001588641357 1080134523 /nfs/dbraw/zinc/13/45/23/1080134523.db2.gz DJMZZDVOCNOSGT-DJIMGWMZSA-N -1 3 352.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001588641357 1080134530 /nfs/dbraw/zinc/13/45/30/1080134530.db2.gz DJMZZDVOCNOSGT-DJIMGWMZSA-N -1 3 352.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc2[nH]ccc2c1 ZINC001588647777 1080138431 /nfs/dbraw/zinc/13/84/31/1080138431.db2.gz DXLKNPXAIWKWCZ-UHFFFAOYSA-N -1 3 359.393 2.523 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc2[nH]ccc2c1 ZINC001588647777 1080138437 /nfs/dbraw/zinc/13/84/37/1080138437.db2.gz DXLKNPXAIWKWCZ-UHFFFAOYSA-N -1 3 359.393 2.523 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001588649137 1080140111 /nfs/dbraw/zinc/14/01/11/1080140111.db2.gz IZWUBPAPIMMYPI-RHSMWYFYSA-N -1 3 352.442 2.919 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001588649137 1080140113 /nfs/dbraw/zinc/14/01/13/1080140113.db2.gz IZWUBPAPIMMYPI-RHSMWYFYSA-N -1 3 352.442 2.919 20 30 FFEDHM C=CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC001588658836 1080144164 /nfs/dbraw/zinc/14/41/64/1080144164.db2.gz VJPMOIAUYKOAGP-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC001588658836 1080144169 /nfs/dbraw/zinc/14/41/69/1080144169.db2.gz VJPMOIAUYKOAGP-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCOCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588683203 1080152519 /nfs/dbraw/zinc/15/25/19/1080152519.db2.gz ZIKYQEDUXWJJJO-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM C=CCOCCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588683203 1080152524 /nfs/dbraw/zinc/15/25/24/1080152524.db2.gz ZIKYQEDUXWJJJO-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM C=CCSc1ccccc1C(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001588694791 1080159563 /nfs/dbraw/zinc/15/95/63/1080159563.db2.gz NOJXGLISOPNUMF-UHFFFAOYSA-N -1 3 368.422 2.801 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001588697801 1080160460 /nfs/dbraw/zinc/16/04/60/1080160460.db2.gz ZMXYHOHCRWMSKR-ZSHCYNCHSA-N -1 3 362.441 2.546 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001588697801 1080160464 /nfs/dbraw/zinc/16/04/64/1080160464.db2.gz ZMXYHOHCRWMSKR-ZSHCYNCHSA-N -1 3 362.441 2.546 20 30 FFEDHM CC(=NNCCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001588777445 1080191943 /nfs/dbraw/zinc/19/19/43/1080191943.db2.gz XSHNTQYHMOBQOG-UHFFFAOYSA-N -1 3 356.455 2.849 20 30 FFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1cn2ccccc2c1C#N ZINC001588919670 1080267133 /nfs/dbraw/zinc/26/71/33/1080267133.db2.gz GSVUBIOKEYLEJQ-UHFFFAOYSA-N -1 3 358.361 2.773 20 30 FFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1cn2ccccc2c1C#N ZINC001588919670 1080267141 /nfs/dbraw/zinc/26/71/41/1080267141.db2.gz GSVUBIOKEYLEJQ-UHFFFAOYSA-N -1 3 358.361 2.773 20 30 FFEDHM CC(C)(C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(C#N)c1 ZINC001589061518 1080332302 /nfs/dbraw/zinc/33/23/02/1080332302.db2.gz BWILLKVRQQHUDT-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)(C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(C#N)c1 ZINC001589061518 1080332309 /nfs/dbraw/zinc/33/23/09/1080332309.db2.gz BWILLKVRQQHUDT-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)(C)[C@H](C#N)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001589086306 1080344630 /nfs/dbraw/zinc/34/46/30/1080344630.db2.gz XVHFSMVVVUFSTQ-HNNXBMFYSA-N -1 3 352.442 2.733 20 30 FFEDHM CC(C)(C)[C@H](C#N)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001589086306 1080344634 /nfs/dbraw/zinc/34/46/34/1080344634.db2.gz XVHFSMVVVUFSTQ-HNNXBMFYSA-N -1 3 352.442 2.733 20 30 FFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001589221526 1080428430 /nfs/dbraw/zinc/42/84/30/1080428430.db2.gz GDEWVOCWRRUPAU-INIZCTEOSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001589221526 1080428437 /nfs/dbraw/zinc/42/84/37/1080428437.db2.gz GDEWVOCWRRUPAU-INIZCTEOSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)C#CC(=O)N[C@H]1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589386925 1080511596 /nfs/dbraw/zinc/51/15/96/1080511596.db2.gz FQVRCIGBJYWPQG-KBPBESRZSA-N -1 3 370.432 2.505 20 30 FFEDHM CC(C)C#CC(=O)N[C@H]1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589386925 1080511602 /nfs/dbraw/zinc/51/16/02/1080511602.db2.gz FQVRCIGBJYWPQG-KBPBESRZSA-N -1 3 370.432 2.505 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC001589752985 1080703775 /nfs/dbraw/zinc/70/37/75/1080703775.db2.gz MXMPDYRMDAAUGK-DZGCQCFKSA-N -1 3 369.429 2.810 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC001589752985 1080703778 /nfs/dbraw/zinc/70/37/78/1080703778.db2.gz MXMPDYRMDAAUGK-DZGCQCFKSA-N -1 3 369.429 2.810 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589897003 1080844586 /nfs/dbraw/zinc/84/45/86/1080844586.db2.gz MHXDXICREUIPQS-UONOGXRCSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589897003 1080844591 /nfs/dbraw/zinc/84/45/91/1080844591.db2.gz MHXDXICREUIPQS-UONOGXRCSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001589897001 1080844989 /nfs/dbraw/zinc/84/49/89/1080844989.db2.gz MHXDXICREUIPQS-KGLIPLIRSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001589897001 1080844994 /nfs/dbraw/zinc/84/49/94/1080844994.db2.gz MHXDXICREUIPQS-KGLIPLIRSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589918477 1080859154 /nfs/dbraw/zinc/85/91/54/1080859154.db2.gz SPHFRNYOSBNNRL-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589918477 1080859160 /nfs/dbraw/zinc/85/91/60/1080859160.db2.gz SPHFRNYOSBNNRL-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)NCCC#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001589932764 1080875876 /nfs/dbraw/zinc/87/58/76/1080875876.db2.gz DEVZEZWBMNSFQX-ZDUSSCGKSA-N -1 3 361.409 2.808 20 30 FFEDHM C[C@H](NC(=O)NCCC#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001589932764 1080875885 /nfs/dbraw/zinc/87/58/85/1080875885.db2.gz DEVZEZWBMNSFQX-ZDUSSCGKSA-N -1 3 361.409 2.808 20 30 FFEDHM C[C@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1ccc(-c2nnn[n-]2)cc1 ZINC001589941812 1080885559 /nfs/dbraw/zinc/88/55/59/1080885559.db2.gz YAJVXBFXYLRYKC-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1ccc(-c2nn[n-]n2)cc1 ZINC001589941812 1080885563 /nfs/dbraw/zinc/88/55/63/1080885563.db2.gz YAJVXBFXYLRYKC-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC001590035849 1080961656 /nfs/dbraw/zinc/96/16/56/1080961656.db2.gz KPOZFOOALPWNGO-QFYYESIMSA-N -1 3 362.434 2.541 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC#Cc1ccccc1 ZINC001590046150 1080974730 /nfs/dbraw/zinc/97/47/30/1080974730.db2.gz ZQFRRYIIKWIIHS-OAHLLOKOSA-N -1 3 360.421 2.621 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCC#Cc1ccccc1 ZINC001590046150 1080974736 /nfs/dbraw/zinc/97/47/36/1080974736.db2.gz ZQFRRYIIKWIIHS-OAHLLOKOSA-N -1 3 360.421 2.621 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001590050831 1080979930 /nfs/dbraw/zinc/97/99/30/1080979930.db2.gz UXIBKXIVWVHLRS-ZDUSSCGKSA-N -1 3 365.466 2.683 20 30 FFEDHM CC1(C)CCC[C@H]1CCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590095554 1081008131 /nfs/dbraw/zinc/00/81/31/1081008131.db2.gz LQLLFKKGRYLEIT-SJORKVTESA-N -1 3 366.469 2.882 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1(C)C ZINC001590146529 1081050136 /nfs/dbraw/zinc/05/01/36/1081050136.db2.gz CNHZLOCBUIBLIE-JKSUJKDBSA-N -1 3 373.453 2.919 20 30 FFEDHM CC(C)(C)OC(=O)NCc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001590224136 1081106089 /nfs/dbraw/zinc/10/60/89/1081106089.db2.gz QFYPGKWMLDRCRS-UHFFFAOYSA-N -1 3 373.453 2.902 20 30 FFEDHM C[C@@H]1CCCC[C@@H]1COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590254565 1081125693 /nfs/dbraw/zinc/12/56/93/1081125693.db2.gz WTSQVMJFHYYWQP-KBRIMQKVSA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@@H]1CCCC[C@@H]1COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590254565 1081125695 /nfs/dbraw/zinc/12/56/95/1081125695.db2.gz WTSQVMJFHYYWQP-KBRIMQKVSA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@H]1CCc2nc(NC(=O)c3csc(-c4nnn[n-]4)c3)c(C#N)cc2C1 ZINC001590280290 1081137697 /nfs/dbraw/zinc/13/76/97/1081137697.db2.gz LUUGKKQXAZRKEJ-VIFPVBQESA-N -1 3 365.422 2.572 20 30 FFEDHM Cc1nnnn1-c1ccc(F)c([N-]C(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000131982241 251036218 /nfs/dbraw/zinc/03/62/18/251036218.db2.gz UORSCSWBTQKACH-UHFFFAOYSA-N -1 3 358.283 2.512 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(OC)c(OC)c1 ZINC000286821401 257056959 /nfs/dbraw/zinc/05/69/59/257056959.db2.gz VIENNACBYCPULS-CYBMUJFWSA-N -1 3 350.396 2.598 20 30 FFEDHM Cc1nc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)cc1C#N ZINC000291032687 257375336 /nfs/dbraw/zinc/37/53/36/257375336.db2.gz XKFJTIONJHKTEY-UHFFFAOYSA-N -1 3 356.813 2.583 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000290511223 257337062 /nfs/dbraw/zinc/33/70/62/257337062.db2.gz GRRXKGKQSHAXAV-WMZOPIPTSA-N -1 3 357.454 2.624 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000291277726 257395187 /nfs/dbraw/zinc/39/51/87/257395187.db2.gz RVAGYGXZZZKQMX-HKUYNNGSSA-N -1 3 369.465 2.768 20 30 FFEDHM N#Cc1cc2c(nc1NCCCNC(=O)c1cccc([O-])c1)CCCC2 ZINC000301906292 258074288 /nfs/dbraw/zinc/07/42/88/258074288.db2.gz ZDKYLJHTEPRURI-UHFFFAOYSA-N -1 3 350.422 2.770 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3F)C2)s1 ZINC000331635903 258194535 /nfs/dbraw/zinc/19/45/35/258194535.db2.gz QZERCXUDCLHBGR-GFCCVEGCSA-N -1 3 365.455 2.706 20 30 FFEDHM COCCN(Cc1cccs1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000052843736 506261851 /nfs/dbraw/zinc/26/18/51/506261851.db2.gz UDEHWYWMCFNXBV-UHFFFAOYSA-N -1 3 373.478 2.533 20 30 FFEDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055580615 506786200 /nfs/dbraw/zinc/78/62/00/506786200.db2.gz CMXQQEHUAYUWKD-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM CC(C)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c([O-])c1 ZINC000069541013 507512362 /nfs/dbraw/zinc/51/23/62/507512362.db2.gz YKAOAFJCWIXVBD-UHFFFAOYSA-N -1 3 350.422 2.745 20 30 FFEDHM CC(=O)N[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C)cc1 ZINC000026252624 507572980 /nfs/dbraw/zinc/57/29/80/507572980.db2.gz YVNAMYQCACSVFD-NSHDSACASA-N -1 3 355.320 2.987 20 30 FFEDHM CC(=O)N[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C)cc1 ZINC000026252624 507572984 /nfs/dbraw/zinc/57/29/84/507572984.db2.gz YVNAMYQCACSVFD-NSHDSACASA-N -1 3 355.320 2.987 20 30 FFEDHM COc1cc(C(C)=O)ccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000060951576 507587544 /nfs/dbraw/zinc/58/75/44/507587544.db2.gz LRLVJUKHSPDITM-UHFFFAOYSA-N -1 3 368.389 2.613 20 30 FFEDHM CCCO[C@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000108234603 507882245 /nfs/dbraw/zinc/88/22/45/507882245.db2.gz ONEMNBIZDAEJST-INIZCTEOSA-N -1 3 359.470 2.604 20 30 FFEDHM N#Cc1cc2c(nc1[N-]C(=O)c1csc(-c3cnccn3)n1)CCCC2 ZINC000121868390 508436233 /nfs/dbraw/zinc/43/62/33/508436233.db2.gz JNQVRZXQYSWRAF-UHFFFAOYSA-N -1 3 362.418 2.998 20 30 FFEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1ccco1 ZINC000152719565 508501291 /nfs/dbraw/zinc/50/12/91/508501291.db2.gz RIGASHYYSFNKFE-GOSISDBHSA-N -1 3 369.402 2.623 20 30 FFEDHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cs1 ZINC000157068221 508517947 /nfs/dbraw/zinc/51/79/47/508517947.db2.gz QOSGGBOCEYRVTN-UHFFFAOYSA-N -1 3 355.872 2.752 20 30 FFEDHM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128176440 508558730 /nfs/dbraw/zinc/55/87/30/508558730.db2.gz AFIFNZGKYXRVAN-UHFFFAOYSA-N -1 3 362.382 2.861 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000128301875 508575678 /nfs/dbraw/zinc/57/56/78/508575678.db2.gz LPPVBJHMOHMULB-LBPRGKRZSA-N -1 3 354.391 2.648 20 30 FFEDHM N#CCCN(C(=O)CSc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000117116547 508580193 /nfs/dbraw/zinc/58/01/93/508580193.db2.gz UORUZFOJRNUBRH-UHFFFAOYSA-N -1 3 364.434 2.906 20 30 FFEDHM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4n3C)c12 ZINC000122887334 508602008 /nfs/dbraw/zinc/60/20/08/508602008.db2.gz WYWPGJZKZDYFEX-CQSZACIVSA-N -1 3 358.405 2.962 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1c(C)nn(C)c1C ZINC000123220950 508654249 /nfs/dbraw/zinc/65/42/49/508654249.db2.gz BYIMHANXRXTVIS-CQSZACIVSA-N -1 3 366.874 2.992 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc(C(C)C)cs1 ZINC000129061246 508677111 /nfs/dbraw/zinc/67/71/11/508677111.db2.gz LSPJJMIHYYGKNJ-UHFFFAOYSA-N -1 3 358.467 2.692 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1CCO[C@@H]1CCCCO1 ZINC000136539420 508700055 /nfs/dbraw/zinc/70/00/55/508700055.db2.gz KFFLFKXRPSWLIY-CRAIPNDOSA-N -1 3 354.410 2.620 20 30 FFEDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000158809505 508755304 /nfs/dbraw/zinc/75/53/04/508755304.db2.gz YRPQNDSVPHTIAQ-SECBINFHSA-N -1 3 353.831 2.899 20 30 FFEDHM CC(C)CSCCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000159019454 508781945 /nfs/dbraw/zinc/78/19/45/508781945.db2.gz KGWWFHGLOLLISW-UHFFFAOYSA-N -1 3 357.457 2.524 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000124330491 508816783 /nfs/dbraw/zinc/81/67/83/508816783.db2.gz FYJTWSVGYPBPDH-HUUCEWRRSA-N -1 3 364.858 2.870 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000151017563 508940857 /nfs/dbraw/zinc/94/08/57/508940857.db2.gz FAEVCWIEZAPURU-SFHVURJKSA-N -1 3 373.453 2.813 20 30 FFEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1c(C)noc1C ZINC000160705357 509022799 /nfs/dbraw/zinc/02/27/99/509022799.db2.gz GEGVZYCRBVMQII-MRXNPFEDSA-N -1 3 356.426 2.668 20 30 FFEDHM N#Cc1cc(F)c(S(=O)(=O)[N-]C2CCN(C3CCCC3)CC2)c(F)c1 ZINC000125953947 509048460 /nfs/dbraw/zinc/04/84/60/509048460.db2.gz UVKXLTSNXFUJCZ-UHFFFAOYSA-N -1 3 369.437 2.522 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccncc2F)c1 ZINC000120863052 509078100 /nfs/dbraw/zinc/07/81/00/509078100.db2.gz UBIODCBRTFAJEI-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM C[C@H]1CCCC[C@@H]1[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cccc([O-])c1 ZINC000151928431 509112462 /nfs/dbraw/zinc/11/24/62/509112462.db2.gz NSXAYWVJCIHQBA-BBRMVZONSA-O -1 3 373.502 2.520 20 30 FFEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2nc(Br)cs2)n1 ZINC000191914198 509245158 /nfs/dbraw/zinc/24/51/58/509245158.db2.gz LQKXOBWKFBEUFD-UHFFFAOYSA-N -1 3 354.233 2.981 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000185641976 509282035 /nfs/dbraw/zinc/28/20/35/509282035.db2.gz IRVSGYLVFPDGLQ-UHFFFAOYSA-N -1 3 356.831 2.631 20 30 FFEDHM C=C[C@@H](CC(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000179357758 509397181 /nfs/dbraw/zinc/39/71/81/509397181.db2.gz KMSJBXYPUUOUSN-INIZCTEOSA-N -1 3 352.434 2.988 20 30 FFEDHM CCC[C@]1(COC)CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000192750179 509627428 /nfs/dbraw/zinc/62/74/28/509627428.db2.gz KUONPRKDIYXWTN-HXUWFJFHSA-N -1 3 359.470 2.604 20 30 FFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)C2CC2)s1 ZINC000173487422 509631758 /nfs/dbraw/zinc/63/17/58/509631758.db2.gz RBGTZVPBMFSBKL-CQSZACIVSA-N -1 3 351.428 2.892 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000186424170 509702143 /nfs/dbraw/zinc/70/21/43/509702143.db2.gz AMXFUVKTSOFKSY-MRVPVSSYSA-N -1 3 351.306 2.584 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)c(Cl)c1 ZINC000180070799 509737138 /nfs/dbraw/zinc/73/71/38/509737138.db2.gz OOVTVBGOYLBCJJ-HUUCEWRRSA-N -1 3 364.858 2.870 20 30 FFEDHM COc1cccc(N2CCC[C@@H](/N=C/c3c([O-])c(C)ncc3CO)C2)c1 ZINC000265275862 509962856 /nfs/dbraw/zinc/96/28/56/509962856.db2.gz DRYSUCCNEZDVBG-CNPYVQQSSA-N -1 3 355.438 2.684 20 30 FFEDHM CN(CCSCc1cc(=O)n2[n-]cc(C#N)c2n1)Cc1ccccc1 ZINC000193633196 510000106 /nfs/dbraw/zinc/00/01/06/510000106.db2.gz KSXFMRCOMTUOHN-UHFFFAOYSA-N -1 3 353.451 2.672 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000174702669 510259996 /nfs/dbraw/zinc/25/99/96/510259996.db2.gz ZUNGCYCFNGNUDY-UHFFFAOYSA-N -1 3 364.448 2.750 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177846083 510285850 /nfs/dbraw/zinc/28/58/50/510285850.db2.gz FASAUROHECMLIT-OAQYLSRUSA-N -1 3 369.465 2.950 20 30 FFEDHM O=C(CN[C@@H](c1cccc(F)c1F)C(F)(F)F)[N-]CC(F)(F)F ZINC000181218651 510307971 /nfs/dbraw/zinc/30/79/71/510307971.db2.gz VLZLBSSEKNTVTQ-JTQLQIEISA-N -1 3 350.209 2.836 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3coc(Br)c3)n2)cc1 ZINC000177996786 510366402 /nfs/dbraw/zinc/36/64/02/510366402.db2.gz KZCQUHHUKSFWHL-UHFFFAOYSA-N -1 3 372.182 2.806 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000190864278 510380824 /nfs/dbraw/zinc/38/08/24/510380824.db2.gz XDQOWHWZWNFBET-YPMHNXCESA-N -1 3 360.863 2.724 20 30 FFEDHM O=C(c1ccc2c(c1)CCC2)C(C(=S)[N-]C1CC1)[n+]1cc([O-])ccc1F ZINC000269403309 510388460 /nfs/dbraw/zinc/38/84/60/510388460.db2.gz HAULVSYPXVDDTG-UHFFFAOYSA-O -1 3 371.457 2.998 20 30 FFEDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000191130845 510517424 /nfs/dbraw/zinc/51/74/24/510517424.db2.gz DPDMMXIKNHVBKH-UHFFFAOYSA-N -1 3 351.450 2.900 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000263221659 510617952 /nfs/dbraw/zinc/61/79/52/510617952.db2.gz KUMPWSWKXXBMBU-IBGZPJMESA-N -1 3 373.497 2.802 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)C2(C)CC2)ccc1F ZINC000175635039 510703799 /nfs/dbraw/zinc/70/37/99/510703799.db2.gz POUYRWFNCODVPS-GFCCVEGCSA-N -1 3 354.447 2.551 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000182046348 510729155 /nfs/dbraw/zinc/72/91/55/510729155.db2.gz MIAKGFQKNNKPBC-LBPRGKRZSA-N -1 3 364.405 2.726 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000185282783 510789531 /nfs/dbraw/zinc/78/95/31/510789531.db2.gz CODYPBBJMQSLKS-IUODEOHRSA-N -1 3 372.899 2.545 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000276402319 510937678 /nfs/dbraw/zinc/93/76/78/510937678.db2.gz OVYHJPMSBAXYPX-OAHLLOKOSA-N -1 3 359.426 2.590 20 30 FFEDHM C#CCO[N-]C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000291362181 511166257 /nfs/dbraw/zinc/16/62/57/511166257.db2.gz YKAMMZOJKOITKN-UHFFFAOYSA-N -1 3 371.315 2.511 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccc(C)o1 ZINC000295253650 511337580 /nfs/dbraw/zinc/33/75/80/511337580.db2.gz ZLQMBIRALMZOHN-MRXNPFEDSA-N -1 3 366.414 2.796 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000333752213 511344693 /nfs/dbraw/zinc/34/46/93/511344693.db2.gz XYMIGZNBGGIAEE-ZDUSSCGKSA-N -1 3 354.859 2.839 20 30 FFEDHM CCCc1c(NC([O-])=NOC[C@@H]2CCOC2)cnn1-c1cccc(C#N)c1 ZINC000365290529 511362557 /nfs/dbraw/zinc/36/25/57/511362557.db2.gz MBYRETHRDUMEPG-OAHLLOKOSA-N -1 3 369.425 2.786 20 30 FFEDHM CCCc1c(NC(=O)[N-]OC[C@@H]2CCOC2)cnn1-c1cccc(C#N)c1 ZINC000365290529 511362562 /nfs/dbraw/zinc/36/25/62/511362562.db2.gz MBYRETHRDUMEPG-OAHLLOKOSA-N -1 3 369.425 2.786 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000298679948 511372486 /nfs/dbraw/zinc/37/24/86/511372486.db2.gz WHUFTRRDBKEKEX-ZNJFNICZSA-N -1 3 369.465 2.948 20 30 FFEDHM [O-]c1c(O)ccc(/C=N/CC2(c3ccc4c(c3)OCO4)CCOCC2)c1O ZINC000299218485 511556246 /nfs/dbraw/zinc/55/62/46/511556246.db2.gz PPNUYRAXKRMIHX-UFFVCSGVSA-N -1 3 371.389 2.699 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000292336039 511557838 /nfs/dbraw/zinc/55/78/38/511557838.db2.gz OREFINFRRSDWKF-MSOLQXFVSA-N -1 3 356.447 2.684 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000292434945 511595979 /nfs/dbraw/zinc/59/59/79/511595979.db2.gz WKGRMFOXWXGQMK-UHFFFAOYSA-N -1 3 354.300 2.901 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000365800270 511659369 /nfs/dbraw/zinc/65/93/69/511659369.db2.gz VJJVECHDVBFGON-UHFFFAOYSA-N -1 3 351.797 2.990 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3c(F)cccc3C#N)n2)cc1 ZINC000349926642 511685654 /nfs/dbraw/zinc/68/56/54/511685654.db2.gz CWJWESZUOLXJJD-UHFFFAOYSA-N -1 3 372.381 2.710 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000274730114 511924168 /nfs/dbraw/zinc/92/41/68/511924168.db2.gz ICTVPVUMZZBUSY-HNNXBMFYSA-N -1 3 374.890 2.972 20 30 FFEDHM C[C@H]1CN(Cc2cccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)c2)C[C@H](C)O1 ZINC000328992827 511963392 /nfs/dbraw/zinc/96/33/92/511963392.db2.gz SUXZVGNWKSVKHE-HUBLWGQQSA-N -1 3 360.414 2.527 20 30 FFEDHM Cn1nccc1[C@H]1[C@@H](C(=O)Nc2cc(F)ccc2[O-])CCC(=O)N1C1CC1 ZINC000329009786 511966592 /nfs/dbraw/zinc/96/65/92/511966592.db2.gz ZISAVIGXXUGYFG-SCLBCKFNSA-N -1 3 372.400 2.995 20 30 FFEDHM C[C@H]1C[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC(=O)N1 ZINC000329363160 512034446 /nfs/dbraw/zinc/03/44/46/512034446.db2.gz ZJCPMLDBHQFTPY-VHSXEESVSA-N -1 3 369.418 2.609 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421252860 513178269 /nfs/dbraw/zinc/17/82/69/513178269.db2.gz VQVJBNNHNMSQEJ-CYBMUJFWSA-N -1 3 368.789 2.538 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429886533 513491049 /nfs/dbraw/zinc/49/10/49/513491049.db2.gz OLZJFVVAJHEKIG-UHFFFAOYSA-N -1 3 362.279 2.732 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)(F)F ZINC000451074440 513499372 /nfs/dbraw/zinc/49/93/72/513499372.db2.gz WFMGSSBVBKJJDT-ZETCQYMHSA-N -1 3 353.188 2.643 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nccn2CCc2ccccc2)s1 ZINC000435443198 513591083 /nfs/dbraw/zinc/59/10/83/513591083.db2.gz MOTZTVHEYWLAAK-UHFFFAOYSA-N -1 3 372.475 2.537 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1ccccc1F ZINC000435447422 513592845 /nfs/dbraw/zinc/59/28/45/513592845.db2.gz OYRPEHQNCRACQY-LLVKDONJSA-N -1 3 354.428 2.895 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000435581796 513624531 /nfs/dbraw/zinc/62/45/31/513624531.db2.gz XQRRWRLWLIHZGT-YGRLFVJLSA-N -1 3 360.819 2.508 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)s1 ZINC000435590300 513627843 /nfs/dbraw/zinc/62/78/43/513627843.db2.gz YBDNBEXXCOKZQP-JOYOIKCWSA-N -1 3 358.366 2.871 20 30 FFEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(NC(C)=O)c1OC ZINC000442596351 513742276 /nfs/dbraw/zinc/74/22/76/513742276.db2.gz IQVQLIZYGVWUAE-LBPRGKRZSA-N -1 3 359.407 2.917 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000416465303 513786727 /nfs/dbraw/zinc/78/67/27/513786727.db2.gz LDGNKHODTBWXMJ-OCCSQVGLSA-N -1 3 361.492 2.747 20 30 FFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000416527007 513817655 /nfs/dbraw/zinc/81/76/55/513817655.db2.gz FEZTVXGEMNIRKU-UHFFFAOYSA-N -1 3 354.325 2.942 20 30 FFEDHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443065113 513860426 /nfs/dbraw/zinc/86/04/26/513860426.db2.gz DXJLGPFJKNCOFU-QWHCGFSZSA-N -1 3 351.428 2.960 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCOc1ccccc1 ZINC000443098361 513871288 /nfs/dbraw/zinc/87/12/88/513871288.db2.gz ZSCPCZCECOBPGW-UHFFFAOYSA-N -1 3 350.827 2.959 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC[C@H]1CCc2ccccc21 ZINC000451639149 513877867 /nfs/dbraw/zinc/87/78/67/513877867.db2.gz HESMGHGJSLNNCE-CQSZACIVSA-N -1 3 371.418 2.865 20 30 FFEDHM C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443128576 513881883 /nfs/dbraw/zinc/88/18/83/513881883.db2.gz LVGUPJRBZQVPOI-STQMWFEESA-N -1 3 351.428 2.961 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CCCCC2)c(Cl)c1 ZINC000416648230 513886819 /nfs/dbraw/zinc/88/68/19/513886819.db2.gz AHZFHKCFBXRIRT-CQSZACIVSA-N -1 3 356.875 2.821 20 30 FFEDHM Cc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1[O-] ZINC000436541978 513890573 /nfs/dbraw/zinc/89/05/73/513890573.db2.gz BIPNCICXRZUHJG-INIZCTEOSA-N -1 3 367.430 2.726 20 30 FFEDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OC ZINC000451671831 513902038 /nfs/dbraw/zinc/90/20/38/513902038.db2.gz GUZJGRHDELVUIO-GXFFZTMASA-N -1 3 364.389 2.916 20 30 FFEDHM COc1cc(CNc2n[nH]c(C3CC3)c2C#N)cc(Br)c1[O-] ZINC000419771302 513916561 /nfs/dbraw/zinc/91/65/61/513916561.db2.gz FTJDYPKYOJBAKY-UHFFFAOYSA-N -1 3 363.215 2.669 20 30 FFEDHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000443289885 513922030 /nfs/dbraw/zinc/92/20/30/513922030.db2.gz WRWXICCZBKMDHZ-NSHDSACASA-N -1 3 364.389 2.652 20 30 FFEDHM Cc1c(C#N)cccc1C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436636613 513926307 /nfs/dbraw/zinc/92/63/07/513926307.db2.gz VWVHYJIGSSBZQO-UHFFFAOYSA-N -1 3 363.417 2.607 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c(F)cc1F ZINC000448871036 513943468 /nfs/dbraw/zinc/94/34/68/513943468.db2.gz FULPHKHXIPDSQG-BJOHPYRUSA-N -1 3 357.382 2.605 20 30 FFEDHM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000443345083 513944269 /nfs/dbraw/zinc/94/42/69/513944269.db2.gz QCGBVFUSZPZLCS-CMPLNLGQSA-N -1 3 364.389 2.652 20 30 FFEDHM C=CCC1(C[N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CCCC1 ZINC000451950919 514088201 /nfs/dbraw/zinc/08/82/01/514088201.db2.gz IYNYQFHYVQVUBK-UHFFFAOYSA-N -1 3 373.496 2.958 20 30 FFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000452046068 514158928 /nfs/dbraw/zinc/15/89/28/514158928.db2.gz UYWCTTZWRFCIDY-UHFFFAOYSA-N -1 3 352.225 2.841 20 30 FFEDHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CCNCC1(F)F ZINC000423874277 514272750 /nfs/dbraw/zinc/27/27/50/514272750.db2.gz JJQOZDZUSHBZGJ-GZMMTYOYSA-N -1 3 358.257 2.929 20 30 FFEDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433004705 514348065 /nfs/dbraw/zinc/34/80/65/514348065.db2.gz GQFMCUUILRPRSZ-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)nn1 ZINC000414966774 514379785 /nfs/dbraw/zinc/37/97/85/514379785.db2.gz DWONKASBEHODMM-UHFFFAOYSA-N -1 3 359.455 2.769 20 30 FFEDHM CCO[C@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000444973503 514380708 /nfs/dbraw/zinc/38/07/08/514380708.db2.gz FCZTYYFZDJJSNQ-GOSISDBHSA-N -1 3 362.426 2.895 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(OC(F)F)cc1 ZINC000428236321 514428964 /nfs/dbraw/zinc/42/89/64/514428964.db2.gz FDVZKMNEXSQKHS-JTQLQIEISA-N -1 3 353.350 2.594 20 30 FFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N(CCC#N)Cc1cccnc1)c2=O ZINC000433317114 514458192 /nfs/dbraw/zinc/45/81/92/514458192.db2.gz KASRBTFLJXNMCI-UHFFFAOYSA-N -1 3 364.380 2.927 20 30 FFEDHM CO[C@](C)(CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000452758983 514487214 /nfs/dbraw/zinc/48/72/14/514487214.db2.gz WEIMQCCXCCNILU-OAQYLSRUSA-N -1 3 367.449 2.886 20 30 FFEDHM CC(C)(CC#N)CNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000457995705 514521367 /nfs/dbraw/zinc/52/13/67/514521367.db2.gz QYAZWBDUJIKOMM-UHFFFAOYSA-N -1 3 372.450 2.700 20 30 FFEDHM C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n[n-]c1=O ZINC000470833648 514631480 /nfs/dbraw/zinc/63/14/80/514631480.db2.gz XDHXYOMHMASCMS-VIFPVBQESA-N -1 3 363.830 2.814 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000508066847 514652748 /nfs/dbraw/zinc/65/27/48/514652748.db2.gz FRIIJNKEVLZAIW-ZDUSSCGKSA-N -1 3 351.255 2.899 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000508069828 514655381 /nfs/dbraw/zinc/65/53/81/514655381.db2.gz UBUDEZKSNKOUMW-LBPRGKRZSA-N -1 3 370.780 2.956 20 30 FFEDHM CCCn1c(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n[n-]c1=O ZINC000484489236 514667072 /nfs/dbraw/zinc/66/70/72/514667072.db2.gz NDSFLAMFVKLIAI-AWEZNQCLSA-N -1 3 357.439 2.553 20 30 FFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000508115898 514675203 /nfs/dbraw/zinc/67/52/03/514675203.db2.gz JUBHBMXKDFCPOF-CQSZACIVSA-N -1 3 357.457 2.525 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)(C)C)nc2)nc(C)n1 ZINC000453583151 514702249 /nfs/dbraw/zinc/70/22/49/514702249.db2.gz ORCNPWJNYMUSCD-AWEZNQCLSA-N -1 3 351.410 2.963 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)c(OCCOC(C)C)c1 ZINC000475526980 514703722 /nfs/dbraw/zinc/70/37/22/514703722.db2.gz NRBWIZWZEWXOHG-MRXNPFEDSA-N -1 3 355.394 2.779 20 30 FFEDHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000475574870 514720685 /nfs/dbraw/zinc/72/06/85/514720685.db2.gz LYKBWKHYJAOCBJ-UHFFFAOYSA-N -1 3 363.483 2.581 20 30 FFEDHM CC[C@@H](c1nnc([N-]C(=O)c2cnn(C)c2C#N)s1)c1ccccc1 ZINC000475763648 514799247 /nfs/dbraw/zinc/79/92/47/514799247.db2.gz ZVGWEJPVFOVZRJ-GFCCVEGCSA-N -1 3 352.423 2.937 20 30 FFEDHM O=C(CNC(=O)c1cccc([O-])c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000471415071 514878422 /nfs/dbraw/zinc/87/84/22/514878422.db2.gz GOTURFCAVOXWLQ-UHFFFAOYSA-N -1 3 371.396 2.556 20 30 FFEDHM N#CCCN(Cc1ccco1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000485370948 515012735 /nfs/dbraw/zinc/01/27/35/515012735.db2.gz DTPLXRPCZDQMKA-UHFFFAOYSA-N -1 3 357.316 2.955 20 30 FFEDHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000480742551 515067273 /nfs/dbraw/zinc/06/72/73/515067273.db2.gz CJGSBISEJHLFIT-NSHDSACASA-N -1 3 358.847 2.610 20 30 FFEDHM C=CCOc1cccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000480812432 515091065 /nfs/dbraw/zinc/09/10/65/515091065.db2.gz NDKJHMGZVDYUBB-UHFFFAOYSA-N -1 3 369.421 2.899 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000503844300 515151890 /nfs/dbraw/zinc/15/18/90/515151890.db2.gz IUKNPVRNUNWITQ-CMPLNLGQSA-N -1 3 362.373 2.670 20 30 FFEDHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000490465993 515224311 /nfs/dbraw/zinc/22/43/11/515224311.db2.gz XRRJQODGJJKGJU-UHFFFAOYSA-N -1 3 370.887 2.708 20 30 FFEDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000486638105 515574525 /nfs/dbraw/zinc/57/45/25/515574525.db2.gz FEOJDWXXNOMSLO-ZJUUUORDSA-N -1 3 367.862 2.883 20 30 FFEDHM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000510734092 515651446 /nfs/dbraw/zinc/65/14/46/515651446.db2.gz UBWBEQXOZZHPQS-XYJFISCASA-N -1 3 371.462 2.583 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469306728 515762539 /nfs/dbraw/zinc/76/25/39/515762539.db2.gz FFVSHROEAHCUMZ-CQSZACIVSA-N -1 3 373.902 2.982 20 30 FFEDHM C=C(C)CCNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000454834247 515776313 /nfs/dbraw/zinc/77/63/13/515776313.db2.gz JLJFDZUWPRLSAH-UHFFFAOYSA-N -1 3 365.377 2.615 20 30 FFEDHM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464410510 515813409 /nfs/dbraw/zinc/81/34/09/515813409.db2.gz XCVKCUXPTPLOPV-ZDUSSCGKSA-N -1 3 362.311 2.759 20 30 FFEDHM N#CCc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511389532 515887713 /nfs/dbraw/zinc/88/77/13/515887713.db2.gz DAWVQNHDSAWYNS-UHFFFAOYSA-N -1 3 355.195 2.837 20 30 FFEDHM C=C(C)Cn1c([N-]c2ccn(C)n2)nnc1C(=O)Nc1ccc(C)c(C)c1 ZINC000460564191 516193078 /nfs/dbraw/zinc/19/30/78/516193078.db2.gz WLJREXIJLOZRIV-UHFFFAOYSA-N -1 3 365.441 2.622 20 30 FFEDHM CCn1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc2cccnc21 ZINC000554264285 516350805 /nfs/dbraw/zinc/35/08/05/516350805.db2.gz WRAHLQAJEPXROD-UHFFFAOYSA-N -1 3 364.409 2.612 20 30 FFEDHM CCc1cccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1[O-] ZINC000531355277 516425338 /nfs/dbraw/zinc/42/53/38/516425338.db2.gz GJDJJYHYUODOTI-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(C#N)s3)C2)cc1F ZINC000554552771 516504846 /nfs/dbraw/zinc/50/48/46/516504846.db2.gz QFVQALLMOWLJDP-HAQNSBGRSA-N -1 3 366.439 2.992 20 30 FFEDHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000540486821 516578845 /nfs/dbraw/zinc/57/88/45/516578845.db2.gz VQJMUKDAYQISKJ-IAGOWNOFSA-N -1 3 360.410 2.930 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc2C1 ZINC000558095269 516590943 /nfs/dbraw/zinc/59/09/43/516590943.db2.gz KQLKRJXSMXYGDA-GFCCVEGCSA-N -1 3 366.801 2.633 20 30 FFEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1 ZINC000551226018 516614073 /nfs/dbraw/zinc/61/40/73/516614073.db2.gz AGPMFKIFNYFWMV-UHFFFAOYSA-N -1 3 352.337 2.943 20 30 FFEDHM N#CCc1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000561750950 516748092 /nfs/dbraw/zinc/74/80/92/516748092.db2.gz AMGPRVLAHOBXCO-XMMPIXPASA-N -1 3 355.341 2.716 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000524883631 516858951 /nfs/dbraw/zinc/85/89/51/516858951.db2.gz XZBJHWHCFBVJAC-UHFFFAOYSA-N -1 3 374.422 2.972 20 30 FFEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548470494 517004293 /nfs/dbraw/zinc/00/42/93/517004293.db2.gz FHIHSYIZVOQPCS-UHFFFAOYSA-N -1 3 355.316 2.687 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)c(F)c1 ZINC000537866676 517386120 /nfs/dbraw/zinc/38/61/20/517386120.db2.gz DQKZHDDSNJMLBQ-CRAIPNDOSA-N -1 3 360.410 2.753 20 30 FFEDHM C=CCN(CC=C)[C@H](CN=c1[n-]nc(C2CCOCC2)s1)C(C)C ZINC000549106997 517401557 /nfs/dbraw/zinc/40/15/57/517401557.db2.gz AKIJADHDJWRYHN-MRXNPFEDSA-N -1 3 350.532 2.965 20 30 FFEDHM Cc1ncc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)c(=O)[n-]1 ZINC000542385147 517534484 /nfs/dbraw/zinc/53/44/84/517534484.db2.gz LXIBVSGZHPJVAY-UHFFFAOYSA-N -1 3 374.400 2.871 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000538283809 517540502 /nfs/dbraw/zinc/54/05/02/517540502.db2.gz PTXGYSSOMYYCAS-GTNSWQLSSA-N -1 3 366.389 2.891 20 30 FFEDHM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc4c(cc3[O-])CCCC4)C2)nc1 ZINC000553243262 517596190 /nfs/dbraw/zinc/59/61/90/517596190.db2.gz LHPHVDVVROHLFX-QGZVFWFLSA-N -1 3 363.417 2.831 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cc(C(F)(F)F)ccn1 ZINC000549524042 517599764 /nfs/dbraw/zinc/59/97/64/517599764.db2.gz DAQRTAULMOGOKO-UHFFFAOYSA-N -1 3 373.331 2.632 20 30 FFEDHM Cc1[n-][nH]c(=NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2CC(C)C)c1C#N ZINC000530265383 517667082 /nfs/dbraw/zinc/66/70/82/517667082.db2.gz DQKBAZYHSPSQKQ-IEBWSBKVSA-N -1 3 365.481 2.745 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CO)C1CCCCC1 ZINC000549910470 517774555 /nfs/dbraw/zinc/77/45/55/517774555.db2.gz HINPZLZAFNHPSH-ZDUSSCGKSA-N -1 3 356.875 2.679 20 30 FFEDHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000572821254 518375713 /nfs/dbraw/zinc/37/57/13/518375713.db2.gz QOHIVUXSXVNXKX-DOTOQJQBSA-N -1 3 360.410 2.930 20 30 FFEDHM COCCC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000584672223 518423249 /nfs/dbraw/zinc/42/32/49/518423249.db2.gz HEYYTOCZSGNUAT-UHFFFAOYSA-N -1 3 373.272 2.558 20 30 FFEDHM CC(C)(C)CCOc1cnccc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000567389967 518501471 /nfs/dbraw/zinc/50/14/71/518501471.db2.gz XBCHPSLFIHVMIL-UHFFFAOYSA-N -1 3 363.439 2.840 20 30 FFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C#N)c(OC)c2)c1 ZINC000570249908 518515127 /nfs/dbraw/zinc/51/51/27/518515127.db2.gz IOVFLVMPKANMOC-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000576402070 518575694 /nfs/dbraw/zinc/57/56/94/518575694.db2.gz AXJZMEGWRSFYPA-UHFFFAOYSA-N -1 3 353.835 2.602 20 30 FFEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1F ZINC000570394051 518583846 /nfs/dbraw/zinc/58/38/46/518583846.db2.gz DLBCBSMKMMYHNS-ZDUSSCGKSA-N -1 3 355.373 2.592 20 30 FFEDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc(Cl)cc3C#N)cn2c1 ZINC000567656954 518635231 /nfs/dbraw/zinc/63/52/31/518635231.db2.gz YJBDIQKJNVTVHE-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000570577402 518677478 /nfs/dbraw/zinc/67/74/78/518677478.db2.gz ZZHPXHOASSYXJG-WDEREUQCSA-N -1 3 373.272 2.557 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC(C)(C)CCC#N)s1 ZINC000588143359 518734707 /nfs/dbraw/zinc/73/47/07/518734707.db2.gz ZFKBQOGKPPDKBA-LLVKDONJSA-N -1 3 357.501 2.553 20 30 FFEDHM C[C@@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000570699081 518737929 /nfs/dbraw/zinc/73/79/29/518737929.db2.gz OZXRYYVXHGFXOI-ZDUSSCGKSA-N -1 3 355.891 2.610 20 30 FFEDHM CC[C@]1(C[N-]S(=O)(=O)CC2(C#N)CCCC2)OCCc2ccccc21 ZINC000582454769 518758923 /nfs/dbraw/zinc/75/89/23/518758923.db2.gz PGFODZANALASPZ-LJQANCHMSA-N -1 3 362.495 2.868 20 30 FFEDHM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)C2CC2)no1 ZINC000570759738 518765279 /nfs/dbraw/zinc/76/52/79/518765279.db2.gz MCPFOMDCIKBVDE-HNNXBMFYSA-N -1 3 366.830 2.507 20 30 FFEDHM N#CCCC[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000582468104 518766957 /nfs/dbraw/zinc/76/69/57/518766957.db2.gz FQFRNYMBIDKYDM-GOSISDBHSA-N -1 3 351.406 2.673 20 30 FFEDHM CC(C)C[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc(C#N)o2)ccn1 ZINC000579971873 518944522 /nfs/dbraw/zinc/94/45/22/518944522.db2.gz RXCRLTZDWNMWID-ZDUSSCGKSA-N -1 3 363.439 2.838 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(OCCN(C)C)c1 ZINC000589585077 519035109 /nfs/dbraw/zinc/03/51/09/519035109.db2.gz MYZBZKKKQODHIB-UHFFFAOYSA-N -1 3 373.478 2.802 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000589597588 519037702 /nfs/dbraw/zinc/03/77/02/519037702.db2.gz RDYSJPZZQQUTTG-MRXNPFEDSA-N -1 3 364.448 2.658 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccsc1 ZINC000571574255 519162660 /nfs/dbraw/zinc/16/26/60/519162660.db2.gz SHSXRLPEZRBFAD-UHFFFAOYSA-N -1 3 357.254 2.861 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn([C@@H]4CCOC4)nn3)sc2C1 ZINC000571829089 519295436 /nfs/dbraw/zinc/29/54/36/519295436.db2.gz IQQHZIDGZUAPPQ-GHMZBOCLSA-N -1 3 357.439 2.550 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000583533690 519295902 /nfs/dbraw/zinc/29/59/02/519295902.db2.gz GATJEMLAJOFXGB-LBPRGKRZSA-N -1 3 373.272 2.601 20 30 FFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000578074043 519403053 /nfs/dbraw/zinc/40/30/53/519403053.db2.gz IFFCNNHJNRBHCQ-CQSZACIVSA-N -1 3 370.272 2.927 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000569382851 519522196 /nfs/dbraw/zinc/52/21/96/519522196.db2.gz IJOYZEOVLHPIRA-IAGOWNOFSA-N -1 3 360.410 2.896 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@H]12 ZINC000594482540 519991069 /nfs/dbraw/zinc/99/10/69/519991069.db2.gz BIWYCWGJGSKEHV-LSDHHAIUSA-N -1 3 353.875 2.507 20 30 FFEDHM N#CC1(CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CCCCC1 ZINC000597383772 519991623 /nfs/dbraw/zinc/99/16/23/519991623.db2.gz UEQQACPUDJISCV-UHFFFAOYSA-N -1 3 355.438 2.541 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594485103 519994914 /nfs/dbraw/zinc/99/49/14/519994914.db2.gz WKKMTQSCJVZFNB-CABCVRRESA-N -1 3 353.875 2.507 20 30 FFEDHM N#CCc1ccc(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000603044652 520043957 /nfs/dbraw/zinc/04/39/57/520043957.db2.gz ROGRXHFMOQYHFU-UHFFFAOYSA-N -1 3 371.750 2.908 20 30 FFEDHM C=CCN(C(=O)Cc1cncc([O-])c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000597535049 520087857 /nfs/dbraw/zinc/08/78/57/520087857.db2.gz VZBONJIUUIRMCY-IBGZPJMESA-N -1 3 368.433 2.519 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)[C@@H]1CCOC1 ZINC000594756906 520137499 /nfs/dbraw/zinc/13/74/99/520137499.db2.gz DIJHAEJHWUYLLP-DGCLKSJQSA-N -1 3 350.465 2.785 20 30 FFEDHM CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000597616054 520138790 /nfs/dbraw/zinc/13/87/90/520138790.db2.gz CDNQNXCXGRAFHY-GOSISDBHSA-N -1 3 373.497 2.597 20 30 FFEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C(C)(C)c3cccc(C#N)c3)cn21 ZINC000594808553 520167569 /nfs/dbraw/zinc/16/75/69/520167569.db2.gz MNPIGVQOJHPAIA-CYBMUJFWSA-N -1 3 358.467 2.866 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OC(C)(C)C ZINC000592101485 520185814 /nfs/dbraw/zinc/18/58/14/520185814.db2.gz YMXXYZIFDONRPR-LBPRGKRZSA-N -1 3 358.847 2.610 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1(F)F ZINC000594850726 520187023 /nfs/dbraw/zinc/18/70/23/520187023.db2.gz FBKLLBMKAFEGLS-NSHDSACASA-N -1 3 365.199 2.644 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C12CCC2 ZINC000594862332 520195851 /nfs/dbraw/zinc/19/58/51/520195851.db2.gz BFVKEYPFJCERRI-HUUCEWRRSA-N -1 3 362.476 2.663 20 30 FFEDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000595353644 520423350 /nfs/dbraw/zinc/42/33/50/520423350.db2.gz KHQRLYBLJMLOEH-JKSUJKDBSA-N -1 3 350.465 2.656 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2cn(C3CCC3)nn2)c(C#N)c1C ZINC000592572735 520459551 /nfs/dbraw/zinc/45/95/51/520459551.db2.gz PEHYURHITCETMY-UHFFFAOYSA-N -1 3 359.411 2.674 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000598252521 520521296 /nfs/dbraw/zinc/52/12/96/520521296.db2.gz UXKAVQLJYKWTQA-GOSISDBHSA-N -1 3 351.406 2.718 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc3cccnc32)c(F)c1 ZINC000610082136 520531832 /nfs/dbraw/zinc/53/18/32/520531832.db2.gz JJMJNLWVKZRVCX-UHFFFAOYSA-N -1 3 355.394 2.767 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1cc(-c2ccccc2)[nH][nH]1 ZINC000604459403 520569035 /nfs/dbraw/zinc/56/90/35/520569035.db2.gz NPMYOOSTCNUQOI-UHFFFAOYSA-N -1 3 361.405 2.659 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000598355116 520572799 /nfs/dbraw/zinc/57/27/99/520572799.db2.gz VNWDLRHALPYHNC-ZDUSSCGKSA-N -1 3 357.454 2.768 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)cs1 ZINC000601366535 520759059 /nfs/dbraw/zinc/75/90/59/520759059.db2.gz DQRGIAOHIQJWCA-SNVBAGLBSA-N -1 3 369.443 2.648 20 30 FFEDHM COc1ccccc1-c1cc(=NC(=O)c2c(F)cc(C#N)cc2F)[nH][n-]1 ZINC000610674025 520791691 /nfs/dbraw/zinc/79/16/91/520791691.db2.gz VPJMPHOBSHIFNB-UHFFFAOYSA-N -1 3 354.316 2.909 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(=O)c2ccccc21 ZINC000605362325 520846143 /nfs/dbraw/zinc/84/61/43/520846143.db2.gz BKTUQTVJMLQEEL-AWEZNQCLSA-N -1 3 371.400 2.793 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(=O)c2ccccc21 ZINC000605362326 520847557 /nfs/dbraw/zinc/84/75/57/520847557.db2.gz BKTUQTVJMLQEEL-CQSZACIVSA-N -1 3 371.400 2.793 20 30 FFEDHM N#Cc1[n-]c(=NCCCN2CCN(c3ccccc3)CC2)sc1Cl ZINC000596079183 520899848 /nfs/dbraw/zinc/89/98/48/520899848.db2.gz KNJQBUQHDUWKGH-UHFFFAOYSA-N -1 3 361.902 2.714 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc2C1 ZINC000611018174 520949204 /nfs/dbraw/zinc/94/92/04/520949204.db2.gz VJYXEMUWUNPROF-CYBMUJFWSA-N -1 3 371.418 2.550 20 30 FFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000611113717 520991844 /nfs/dbraw/zinc/99/18/44/520991844.db2.gz GNXFBBGXJXJJHF-LLVKDONJSA-N -1 3 361.261 2.674 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000593532924 521055246 /nfs/dbraw/zinc/05/52/46/521055246.db2.gz GCOBSMHXGJUFLL-UHFFFAOYSA-N -1 3 350.465 2.547 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)c(Cl)c1 ZINC000611538927 521208792 /nfs/dbraw/zinc/20/87/92/521208792.db2.gz DVLQUNCCYFTXAX-INIZCTEOSA-N -1 3 362.838 2.804 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000599481730 521248858 /nfs/dbraw/zinc/24/88/58/521248858.db2.gz ILYNAXNGMNBXIH-ZFWWWQNUSA-N -1 3 362.476 2.927 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594203295 521467815 /nfs/dbraw/zinc/46/78/15/521467815.db2.gz KPWLTBOWPQUFBN-OAHLLOKOSA-N -1 3 357.454 2.816 20 30 FFEDHM N#Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2ccccc2n1 ZINC000615691172 521503596 /nfs/dbraw/zinc/50/35/96/521503596.db2.gz MGMJXUYKVDZFTO-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000619475900 521587312 /nfs/dbraw/zinc/58/73/12/521587312.db2.gz GLCZJTPWCIMQSK-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000619488303 521593888 /nfs/dbraw/zinc/59/38/88/521593888.db2.gz NPBZNUDPNKAMSD-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1ccc(C)c(C)c1 ZINC000619497241 521598860 /nfs/dbraw/zinc/59/88/60/521598860.db2.gz WRNGYUPZUQWMLS-SFHVURJKSA-N -1 3 372.446 2.562 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)F ZINC000619503095 521600730 /nfs/dbraw/zinc/60/07/30/521600730.db2.gz OPKQHEAWJHNTJW-UHFFFAOYSA-N -1 3 353.188 2.643 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cn2cccn2)c2ccccc2)s1 ZINC000619547937 521764618 /nfs/dbraw/zinc/76/46/18/521764618.db2.gz CBBGTXPLPDAQJV-OAHLLOKOSA-N -1 3 358.448 2.536 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3ccccc3CC#N)CCCCC2)no1 ZINC000619572332 521775745 /nfs/dbraw/zinc/77/57/45/521775745.db2.gz XPLUTSOEEQDSEI-UHFFFAOYSA-N -1 3 360.439 2.582 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000619594539 521788428 /nfs/dbraw/zinc/78/84/28/521788428.db2.gz FRCODCSIDOQCKD-UHFFFAOYSA-N -1 3 351.653 2.931 20 30 FFEDHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619752881 521854311 /nfs/dbraw/zinc/85/43/11/521854311.db2.gz CCCVISLPHASVBB-UHFFFAOYSA-N -1 3 352.847 2.543 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1c(Cl)cccc1Cl ZINC000737676761 598826187 /nfs/dbraw/zinc/82/61/87/598826187.db2.gz XMARJNRDAGFUMG-GFCCVEGCSA-N -1 3 374.191 2.563 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1c(Cl)cccc1Cl ZINC000737676761 598826188 /nfs/dbraw/zinc/82/61/88/598826188.db2.gz XMARJNRDAGFUMG-GFCCVEGCSA-N -1 3 374.191 2.563 20 30 FFEDHM C#CCN(CC)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735374884 598905983 /nfs/dbraw/zinc/90/59/83/598905983.db2.gz OMMGZZIRVPIZIR-UHFFFAOYSA-N -1 3 366.450 2.760 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737703041 598915519 /nfs/dbraw/zinc/91/55/19/598915519.db2.gz ADFFAAIUOUOFGE-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000737703041 598915520 /nfs/dbraw/zinc/91/55/20/598915520.db2.gz ADFFAAIUOUOFGE-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM CC(C)c1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735928724 598921868 /nfs/dbraw/zinc/92/18/68/598921868.db2.gz RUUCDLUQJFKXSV-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM CC(C)c1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735928724 598921869 /nfs/dbraw/zinc/92/18/69/598921869.db2.gz RUUCDLUQJFKXSV-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM CCCn1c(C=NNCc2ccc(-c3nnn[n-]3)cc2)nc2ccccc21 ZINC000821142694 607254421 /nfs/dbraw/zinc/25/44/21/607254421.db2.gz LUAXRDYIQMQCDS-UHFFFAOYSA-N -1 3 360.425 2.750 20 30 FFEDHM CCCn1c(C=NNCc2ccc(-c3nn[n-]n3)cc2)nc2ccccc21 ZINC000821142694 607254422 /nfs/dbraw/zinc/25/44/22/607254422.db2.gz LUAXRDYIQMQCDS-UHFFFAOYSA-N -1 3 360.425 2.750 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737710897 599055904 /nfs/dbraw/zinc/05/59/04/599055904.db2.gz CVIDCXDEMBRNSH-UHFFFAOYSA-N -1 3 363.278 2.903 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737710897 599055906 /nfs/dbraw/zinc/05/59/06/599055906.db2.gz CVIDCXDEMBRNSH-UHFFFAOYSA-N -1 3 363.278 2.903 20 30 FFEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000736192928 599063644 /nfs/dbraw/zinc/06/36/44/599063644.db2.gz NPRMPWYBTXYHGW-NSHDSACASA-N -1 3 374.445 2.829 20 30 FFEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1(C#N)CCCCC1 ZINC000736192928 599063646 /nfs/dbraw/zinc/06/36/46/599063646.db2.gz NPRMPWYBTXYHGW-NSHDSACASA-N -1 3 374.445 2.829 20 30 FFEDHM O=C1C(=Cc2ccc(-n3cncn3)cc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504457 599115174 /nfs/dbraw/zinc/11/51/74/599115174.db2.gz QHUUQKFULIFDTD-OQLLNIDSSA-N -1 3 369.388 2.660 20 30 FFEDHM O=C1C(=Cc2ccc(-n3cncn3)cc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504457 599115175 /nfs/dbraw/zinc/11/51/75/599115175.db2.gz QHUUQKFULIFDTD-OQLLNIDSSA-N -1 3 369.388 2.660 20 30 FFEDHM O=C1C(=Cc2cn(-c3ccccc3)nn2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505254 599115349 /nfs/dbraw/zinc/11/53/49/599115349.db2.gz ZFBFMKWMJZQJKW-SDNWHVSQSA-N -1 3 369.388 2.660 20 30 FFEDHM O=C1C(=Cc2cn(-c3ccccc3)nn2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505254 599115350 /nfs/dbraw/zinc/11/53/50/599115350.db2.gz ZFBFMKWMJZQJKW-SDNWHVSQSA-N -1 3 369.388 2.660 20 30 FFEDHM COc1ccc(C=NNC(=S)Nc2ccccc2C)cc1-c1nnn[n-]1 ZINC000737080654 599125234 /nfs/dbraw/zinc/12/52/34/599125234.db2.gz FQGLFUYZNADCPH-UHFFFAOYSA-N -1 3 367.438 2.504 20 30 FFEDHM COc1ccc(C=NNC(=S)Nc2ccccc2C)cc1-c1nn[n-]n1 ZINC000737080654 599125236 /nfs/dbraw/zinc/12/52/36/599125236.db2.gz FQGLFUYZNADCPH-UHFFFAOYSA-N -1 3 367.438 2.504 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737723513 599171948 /nfs/dbraw/zinc/17/19/48/599171948.db2.gz UYXYIIAKKJGOHQ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737723513 599171951 /nfs/dbraw/zinc/17/19/51/599171951.db2.gz UYXYIIAKKJGOHQ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM CC(C)c1noc2ncc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc21 ZINC000735953968 599195610 /nfs/dbraw/zinc/19/56/10/599195610.db2.gz OUDSMNVDRBAKME-UHFFFAOYSA-N -1 3 374.364 2.650 20 30 FFEDHM CC(C)c1noc2ncc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc21 ZINC000735953968 599195612 /nfs/dbraw/zinc/19/56/12/599195612.db2.gz OUDSMNVDRBAKME-UHFFFAOYSA-N -1 3 374.364 2.650 20 30 FFEDHM N#CCn1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000737705027 598289311 /nfs/dbraw/zinc/28/93/11/598289311.db2.gz JNYXXMZHICXTJT-UHFFFAOYSA-N -1 3 358.361 2.702 20 30 FFEDHM N#CCn1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000737705027 598289312 /nfs/dbraw/zinc/28/93/12/598289312.db2.gz JNYXXMZHICXTJT-UHFFFAOYSA-N -1 3 358.361 2.702 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201704 598377171 /nfs/dbraw/zinc/37/71/71/598377171.db2.gz HNRMXAIPIOLAGQ-TWGQIWQCSA-N -1 3 364.365 2.727 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201704 598377174 /nfs/dbraw/zinc/37/71/74/598377174.db2.gz HNRMXAIPIOLAGQ-TWGQIWQCSA-N -1 3 364.365 2.727 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000736675191 598515879 /nfs/dbraw/zinc/51/58/79/598515879.db2.gz GBWYKAPAHBHJDW-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000736675191 598515881 /nfs/dbraw/zinc/51/58/81/598515881.db2.gz GBWYKAPAHBHJDW-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735691168 598689555 /nfs/dbraw/zinc/68/95/55/598689555.db2.gz MZMOCEIIAOKHDQ-KRWDZBQOSA-N -1 3 362.393 2.937 20 30 FFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735691168 598689557 /nfs/dbraw/zinc/68/95/57/598689557.db2.gz MZMOCEIIAOKHDQ-KRWDZBQOSA-N -1 3 362.393 2.937 20 30 FFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2ccccc2n1CC#N ZINC000736817566 598817760 /nfs/dbraw/zinc/81/77/60/598817760.db2.gz DKRVHGUXEHLPML-UHFFFAOYSA-N -1 3 371.404 2.617 20 30 FFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc2ccccc2n1CC#N ZINC000736817566 598817762 /nfs/dbraw/zinc/81/77/62/598817762.db2.gz DKRVHGUXEHLPML-UHFFFAOYSA-N -1 3 371.404 2.617 20 30 FFEDHM CCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736502900 599308849 /nfs/dbraw/zinc/30/88/49/599308849.db2.gz QMDWBAXXDVHZHN-CYBMUJFWSA-N -1 3 362.393 2.559 20 30 FFEDHM C=CCN(Cc1csc(COC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745592 599566355 /nfs/dbraw/zinc/56/63/55/599566355.db2.gz LEUPJMPEARSEKQ-UHFFFAOYSA-N -1 3 356.455 2.658 20 30 FFEDHM C=CCN(Cc1csc(COC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745592 599566358 /nfs/dbraw/zinc/56/63/58/599566358.db2.gz LEUPJMPEARSEKQ-UHFFFAOYSA-N -1 3 356.455 2.658 20 30 FFEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963592 599566726 /nfs/dbraw/zinc/56/67/26/599566726.db2.gz HZLRVIPOZLHEIK-ZDUSSCGKSA-N -1 3 361.409 2.984 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCC#Cc1ccccc1 ZINC000820549662 599625238 /nfs/dbraw/zinc/62/52/38/599625238.db2.gz PXQXXXZZBVCRLR-HNNXBMFYSA-N -1 3 362.389 2.619 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCC#Cc1ccccc1 ZINC000820549662 599625239 /nfs/dbraw/zinc/62/52/39/599625239.db2.gz PXQXXXZZBVCRLR-HNNXBMFYSA-N -1 3 362.389 2.619 20 30 FFEDHM COCCN(CCC#N)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821689101 599640322 /nfs/dbraw/zinc/64/03/22/599640322.db2.gz KNWMHVUSCWYODD-UHFFFAOYSA-N -1 3 362.437 2.896 20 30 FFEDHM COCCN(CCC#N)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821689101 599640323 /nfs/dbraw/zinc/64/03/23/599640323.db2.gz KNWMHVUSCWYODD-UHFFFAOYSA-N -1 3 362.437 2.896 20 30 FFEDHM C#CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@@H]1CCc2ccccc21 ZINC000819701370 607442397 /nfs/dbraw/zinc/44/23/97/607442397.db2.gz DYPQVIMZSPXZDA-LJQANCHMSA-N -1 3 369.432 2.637 20 30 FFEDHM C#CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)[C@@H]1CCc2ccccc21 ZINC000819701370 607442398 /nfs/dbraw/zinc/44/23/98/607442398.db2.gz DYPQVIMZSPXZDA-LJQANCHMSA-N -1 3 369.432 2.637 20 30 FFEDHM N#Cc1ccc([C@H](NCc2ccc(N3CCCCC3=O)cc2)C(=O)[O-])cc1 ZINC000739105934 600596088 /nfs/dbraw/zinc/59/60/88/600596088.db2.gz JTQBCBLQVWFKGM-FQEVSTJZSA-N -1 3 363.417 2.991 20 30 FFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000833073964 601313006 /nfs/dbraw/zinc/31/30/06/601313006.db2.gz LDBFMJIHQQONNP-LJQANCHMSA-N -1 3 369.465 2.845 20 30 FFEDHM COc1cc(C#N)ccc1OCCN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000831861067 601543154 /nfs/dbraw/zinc/54/31/54/601543154.db2.gz MUBSBLABXYKPCB-IBGZPJMESA-N -1 3 352.390 2.630 20 30 FFEDHM CN(C(=O)[O-])[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000739586646 601965865 /nfs/dbraw/zinc/96/58/65/601965865.db2.gz SVXNBVXWJLROCV-STQMWFEESA-N -1 3 372.450 2.547 20 30 FFEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823888019 607766593 /nfs/dbraw/zinc/76/65/93/607766593.db2.gz CVLNBKYCQYPBPF-SNVBAGLBSA-N -1 3 359.390 2.521 20 30 FFEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823888019 607766594 /nfs/dbraw/zinc/76/65/94/607766594.db2.gz CVLNBKYCQYPBPF-SNVBAGLBSA-N -1 3 359.390 2.521 20 30 FFEDHM Cc1oc(NC(=O)CN[C@]2(CNC(=O)[O-])CCCC[C@@H]2C)c(C#N)c1C ZINC000833934431 605763415 /nfs/dbraw/zinc/76/34/15/605763415.db2.gz JZGQLGQYWBRHGB-VOJFVSQTSA-N -1 3 362.430 2.513 20 30 FFEDHM O=C1c2ccc(F)cc2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823505200 606155257 /nfs/dbraw/zinc/15/52/57/606155257.db2.gz ZANHOHUEMUDORV-WQLSENKSSA-N -1 3 360.352 2.866 20 30 FFEDHM O=C1c2ccc(F)cc2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000823505200 606155258 /nfs/dbraw/zinc/15/52/58/606155258.db2.gz ZANHOHUEMUDORV-WQLSENKSSA-N -1 3 360.352 2.866 20 30 FFEDHM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)[C@@H]1C ZINC000820696730 606204043 /nfs/dbraw/zinc/20/40/43/606204043.db2.gz BOWSCIXSTFHQPY-GIPNMCIBSA-N -1 3 363.516 2.551 20 30 FFEDHM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)[C@@H]1C ZINC000820696730 606204044 /nfs/dbraw/zinc/20/40/44/606204044.db2.gz BOWSCIXSTFHQPY-GIPNMCIBSA-N -1 3 363.516 2.551 20 30 FFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000822655818 606209674 /nfs/dbraw/zinc/20/96/74/606209674.db2.gz YWKJJNLKSULTEA-UHFFFAOYSA-N -1 3 367.438 2.660 20 30 FFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000822655818 606209675 /nfs/dbraw/zinc/20/96/75/606209675.db2.gz YWKJJNLKSULTEA-UHFFFAOYSA-N -1 3 367.438 2.660 20 30 FFEDHM N#Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1 ZINC000822825940 606222108 /nfs/dbraw/zinc/22/21/08/606222108.db2.gz RBQUWOUWYAGQLF-UHFFFAOYSA-N -1 3 363.331 2.599 20 30 FFEDHM N#Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1 ZINC000822825940 606222109 /nfs/dbraw/zinc/22/21/09/606222109.db2.gz RBQUWOUWYAGQLF-UHFFFAOYSA-N -1 3 363.331 2.599 20 30 FFEDHM COc1cccc(C(C)=CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000821857982 606254919 /nfs/dbraw/zinc/25/49/19/606254919.db2.gz CBBFHXZJVHWNMM-WQLSENKSSA-N -1 3 360.377 2.789 20 30 FFEDHM COc1cccc(C(C)=CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000821857982 606254920 /nfs/dbraw/zinc/25/49/20/606254920.db2.gz CBBFHXZJVHWNMM-WQLSENKSSA-N -1 3 360.377 2.789 20 30 FFEDHM N#Cc1cc(F)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822823471 606266637 /nfs/dbraw/zinc/26/66/37/606266637.db2.gz RNJKWLJDSLMQRQ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1cc(F)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822823471 606266639 /nfs/dbraw/zinc/26/66/39/606266639.db2.gz RNJKWLJDSLMQRQ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM C[C@H](C#N)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819854228 606287772 /nfs/dbraw/zinc/28/77/72/606287772.db2.gz BCQWHGWMSZWVNG-GFCCVEGCSA-N -1 3 364.434 2.907 20 30 FFEDHM C[C@H](C#N)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819854228 606287774 /nfs/dbraw/zinc/28/77/74/606287774.db2.gz BCQWHGWMSZWVNG-GFCCVEGCSA-N -1 3 364.434 2.907 20 30 FFEDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000820555905 606326908 /nfs/dbraw/zinc/32/69/08/606326908.db2.gz QSKUVSQIKLQSDE-LBPRGKRZSA-N -1 3 356.455 2.690 20 30 FFEDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000820555905 606326910 /nfs/dbraw/zinc/32/69/10/606326910.db2.gz QSKUVSQIKLQSDE-LBPRGKRZSA-N -1 3 356.455 2.690 20 30 FFEDHM S=C(NN=Cc1ccc(-c2nnn[n-]2)s1)Nc1cccc(Cl)c1 ZINC000823732930 606369827 /nfs/dbraw/zinc/36/98/27/606369827.db2.gz QCILYOVRVBHNQB-UHFFFAOYSA-N -1 3 363.859 2.902 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822801125 606445452 /nfs/dbraw/zinc/44/54/52/606445452.db2.gz FBZCSMNTNDISMQ-MSOLQXFVSA-N -1 3 358.405 2.779 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801125 606445453 /nfs/dbraw/zinc/44/54/53/606445453.db2.gz FBZCSMNTNDISMQ-MSOLQXFVSA-N -1 3 358.405 2.779 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1cccc(C#N)c1 ZINC000821699380 606494040 /nfs/dbraw/zinc/49/40/40/606494040.db2.gz OETWNGBYYRBYOL-UHFFFAOYSA-N -1 3 369.768 2.548 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1cccc(C#N)c1 ZINC000821699380 606494042 /nfs/dbraw/zinc/49/40/42/606494042.db2.gz OETWNGBYYRBYOL-UHFFFAOYSA-N -1 3 369.768 2.548 20 30 FFEDHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000822436777 606681019 /nfs/dbraw/zinc/68/10/19/606681019.db2.gz QVULQKXWJFUYPZ-UHFFFAOYSA-N -1 3 367.438 2.954 20 30 FFEDHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000822436777 606681020 /nfs/dbraw/zinc/68/10/20/606681020.db2.gz QVULQKXWJFUYPZ-UHFFFAOYSA-N -1 3 367.438 2.954 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](OCC)C(C)C ZINC000819742943 606714760 /nfs/dbraw/zinc/71/47/60/606714760.db2.gz CFCPZTMAYLMGNN-QGZVFWFLSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](OCC)C(C)C ZINC000819742943 606714761 /nfs/dbraw/zinc/71/47/61/606714761.db2.gz CFCPZTMAYLMGNN-QGZVFWFLSA-N -1 3 357.458 2.833 20 30 FFEDHM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820938643 606732482 /nfs/dbraw/zinc/73/24/82/606732482.db2.gz KZPZTNDDSZJUNK-MRXNPFEDSA-N -1 3 354.414 2.805 20 30 FFEDHM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820938643 606732484 /nfs/dbraw/zinc/73/24/84/606732484.db2.gz KZPZTNDDSZJUNK-MRXNPFEDSA-N -1 3 354.414 2.805 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2N(C)C)cc1-c1nnn[n-]1 ZINC000821786617 606977399 /nfs/dbraw/zinc/97/73/99/606977399.db2.gz GPBNNAQCANDSMZ-YWEYNIOJSA-N -1 3 367.384 2.977 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2N(C)C)cc1-c1nn[n-]n1 ZINC000821786617 606977400 /nfs/dbraw/zinc/97/74/00/606977400.db2.gz GPBNNAQCANDSMZ-YWEYNIOJSA-N -1 3 367.384 2.977 20 30 FFEDHM COc1cccc(CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000826215586 607783201 /nfs/dbraw/zinc/78/32/01/607783201.db2.gz TZEAVBZLFHHVDD-UHFFFAOYSA-N -1 3 362.437 2.974 20 30 FFEDHM COc1cccc(CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000826215586 607783202 /nfs/dbraw/zinc/78/32/02/607783202.db2.gz TZEAVBZLFHHVDD-UHFFFAOYSA-N -1 3 362.437 2.974 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825399083 607833092 /nfs/dbraw/zinc/83/30/92/607833092.db2.gz ILTZVAJUOQXZQS-QMMMGPOBSA-N -1 3 353.213 2.795 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000825399083 607833093 /nfs/dbraw/zinc/83/30/93/607833093.db2.gz ILTZVAJUOQXZQS-QMMMGPOBSA-N -1 3 353.213 2.795 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)nnn1-c1ccc(C)cc1 ZINC000826281109 607884914 /nfs/dbraw/zinc/88/49/14/607884914.db2.gz FKLNMNCKTXOJLN-FMIVXFBMSA-N -1 3 371.404 2.960 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)nnn1-c1ccc(C)cc1 ZINC000826281109 607884915 /nfs/dbraw/zinc/88/49/15/607884915.db2.gz FKLNMNCKTXOJLN-FMIVXFBMSA-N -1 3 371.404 2.960 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC)OCC ZINC000823873985 607904224 /nfs/dbraw/zinc/90/42/24/607904224.db2.gz QTRGFEOBJRFLDZ-MRXNPFEDSA-N -1 3 358.446 2.998 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)OCC ZINC000823874139 607908145 /nfs/dbraw/zinc/90/81/45/607908145.db2.gz TYUTUUINYPDHFQ-MRXNPFEDSA-N -1 3 359.430 2.964 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)OCC ZINC000823874139 607908146 /nfs/dbraw/zinc/90/81/46/607908146.db2.gz TYUTUUINYPDHFQ-MRXNPFEDSA-N -1 3 359.430 2.964 20 30 FFEDHM CN(C(=O)c1ccc(CC#N)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825829669 608006358 /nfs/dbraw/zinc/00/63/58/608006358.db2.gz IOTMZSJXZHYQHZ-UHFFFAOYSA-N -1 3 352.785 2.863 20 30 FFEDHM CN(C(=O)c1ccc(CC#N)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825829669 608006359 /nfs/dbraw/zinc/00/63/59/608006359.db2.gz IOTMZSJXZHYQHZ-UHFFFAOYSA-N -1 3 352.785 2.863 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(C(F)F)c1 ZINC000823914983 608270399 /nfs/dbraw/zinc/27/03/99/608270399.db2.gz QPQDWFWANUFJIN-UHFFFAOYSA-N -1 3 374.355 2.678 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(C(F)F)c1 ZINC000823914983 608270401 /nfs/dbraw/zinc/27/04/01/608270401.db2.gz QPQDWFWANUFJIN-UHFFFAOYSA-N -1 3 374.355 2.678 20 30 FFEDHM COc1ccc(CNc2nc3c(cc2C#N)CCCC3)cc1-c1nnn[n-]1 ZINC000826204434 608298605 /nfs/dbraw/zinc/29/86/05/608298605.db2.gz KUKBZDLKRYCKOS-UHFFFAOYSA-N -1 3 361.409 2.633 20 30 FFEDHM COc1ccc(CNc2nc3c(cc2C#N)CCCC3)cc1-c1nn[n-]n1 ZINC000826204434 608298606 /nfs/dbraw/zinc/29/86/06/608298606.db2.gz KUKBZDLKRYCKOS-UHFFFAOYSA-N -1 3 361.409 2.633 20 30 FFEDHM Cc1nn(-c2ccccc2)c(CN(CC#N)C2CCCC2)c1-c1nnn[n-]1 ZINC000826332058 608315228 /nfs/dbraw/zinc/31/52/28/608315228.db2.gz IKSFIIZZGRUHDL-UHFFFAOYSA-N -1 3 362.441 2.629 20 30 FFEDHM Clc1ccc2nc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)cn2c1 ZINC000826352942 608536560 /nfs/dbraw/zinc/53/65/60/608536560.db2.gz UOAWQOJRVFEMSV-UHFFFAOYSA-N -1 3 374.195 2.662 20 30 FFEDHM Clc1ccc2nc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)cn2c1 ZINC000826352942 608536561 /nfs/dbraw/zinc/53/65/61/608536561.db2.gz UOAWQOJRVFEMSV-UHFFFAOYSA-N -1 3 374.195 2.662 20 30 FFEDHM Clc1nc2ccccn2c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826349955 608543023 /nfs/dbraw/zinc/54/30/23/608543023.db2.gz BDHDLASOXSVSIA-UHFFFAOYSA-N -1 3 374.195 2.662 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)cc1O ZINC000826177152 608879200 /nfs/dbraw/zinc/87/92/00/608879200.db2.gz UOHJEKIILMFUNV-GQCTYLIASA-N -1 3 370.340 2.625 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953663 609157353 /nfs/dbraw/zinc/15/73/53/609157353.db2.gz KUHHDAYVMFGRPU-UHFFFAOYSA-N -1 3 373.392 2.856 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953663 609157354 /nfs/dbraw/zinc/15/73/54/609157354.db2.gz KUHHDAYVMFGRPU-UHFFFAOYSA-N -1 3 373.392 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H]1CCCCO1 ZINC000823909803 609210276 /nfs/dbraw/zinc/21/02/76/609210276.db2.gz RCWHVAKWFDXASO-QGZVFWFLSA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@H]1CCCCO1 ZINC000823909803 609210277 /nfs/dbraw/zinc/21/02/77/609210277.db2.gz RCWHVAKWFDXASO-QGZVFWFLSA-N -1 3 370.457 2.524 20 30 FFEDHM C[C@H](NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824634275 609303825 /nfs/dbraw/zinc/30/38/25/609303825.db2.gz VBFZOBQNKJQASA-AWEZNQCLSA-N -1 3 372.436 2.952 20 30 FFEDHM C[C@H](NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824634275 609303827 /nfs/dbraw/zinc/30/38/27/609303827.db2.gz VBFZOBQNKJQASA-AWEZNQCLSA-N -1 3 372.436 2.952 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC000823909755 609377565 /nfs/dbraw/zinc/37/75/65/609377565.db2.gz PLRZRTCCQIBJMG-QAPCUYQASA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC000823909755 609377567 /nfs/dbraw/zinc/37/75/67/609377567.db2.gz PLRZRTCCQIBJMG-QAPCUYQASA-N -1 3 369.469 2.977 20 30 FFEDHM COCCOc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826162873 609471244 /nfs/dbraw/zinc/47/12/44/609471244.db2.gz WDRIMLLZFLFWRK-UHFFFAOYSA-N -1 3 372.816 2.991 20 30 FFEDHM COCCOc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826162873 609471246 /nfs/dbraw/zinc/47/12/46/609471246.db2.gz WDRIMLLZFLFWRK-UHFFFAOYSA-N -1 3 372.816 2.991 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C#N ZINC000826191052 609473809 /nfs/dbraw/zinc/47/38/09/609473809.db2.gz VSPPIHJWLDNNCI-UHFFFAOYSA-N -1 3 353.773 2.846 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C#N ZINC000826191052 609473810 /nfs/dbraw/zinc/47/38/10/609473810.db2.gz VSPPIHJWLDNNCI-UHFFFAOYSA-N -1 3 353.773 2.846 20 30 FFEDHM Cc1nc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccn12 ZINC000826324931 609473942 /nfs/dbraw/zinc/47/39/42/609473942.db2.gz IVHPEPUXINPNRM-UHFFFAOYSA-N -1 3 352.789 2.922 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824034450 609624830 /nfs/dbraw/zinc/62/48/30/609624830.db2.gz JYZFGNALHQMMQE-NHAQELONSA-N -1 3 360.377 2.809 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824034450 609624831 /nfs/dbraw/zinc/62/48/31/609624831.db2.gz JYZFGNALHQMMQE-NHAQELONSA-N -1 3 360.377 2.809 20 30 FFEDHM CC(=NNS(=O)(=O)CCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000743449244 735298593 /nfs/dbraw/zinc/29/85/93/735298593.db2.gz SMPASYXKROCIAH-UHFFFAOYSA-N -1 3 352.843 2.932 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 ZINC000745978662 735456142 /nfs/dbraw/zinc/45/61/42/735456142.db2.gz IJEQSJIUOOERDK-UHFFFAOYSA-N -1 3 359.403 2.594 20 30 FFEDHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000022475295 727838094 /nfs/dbraw/zinc/83/80/94/727838094.db2.gz DWJINSUNXJJRRB-JTQLQIEISA-N -1 3 356.403 2.998 20 30 FFEDHM N#Cc1ccc(CNC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000746568797 735494666 /nfs/dbraw/zinc/49/46/66/735494666.db2.gz QCXLIYFDXJGEQF-UHFFFAOYSA-N -1 3 352.177 2.666 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093912247 728478745 /nfs/dbraw/zinc/47/87/45/728478745.db2.gz IJZUUHVHTBIIFM-UHFFFAOYSA-N -1 3 366.464 2.654 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1 ZINC000108250701 728520679 /nfs/dbraw/zinc/52/06/79/728520679.db2.gz CXKXUKJEEYLSNO-UHFFFAOYSA-N -1 3 358.419 2.848 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cn(C)nc1C ZINC000113652735 728556291 /nfs/dbraw/zinc/55/62/91/728556291.db2.gz YCONEQIEOBHCIA-NSHDSACASA-N -1 3 360.801 2.660 20 30 FFEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cn1 ZINC000114617989 728561914 /nfs/dbraw/zinc/56/19/14/728561914.db2.gz GUACISUQIAJBLY-LBPRGKRZSA-N -1 3 360.801 2.835 20 30 FFEDHM C#CC[C@@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)C(C)C ZINC000747188986 735542454 /nfs/dbraw/zinc/54/24/54/735542454.db2.gz IHMYHILDAKDDQB-QGZVFWFLSA-N -1 3 367.467 2.807 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC23CCCCC3)ccc1F ZINC000180703763 729222008 /nfs/dbraw/zinc/22/20/08/729222008.db2.gz DJQGVEFLLSYNAL-INIZCTEOSA-N -1 3 366.458 2.743 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCOC2(C1)CCCCCC2 ZINC000330161724 729800153 /nfs/dbraw/zinc/80/01/53/729800153.db2.gz UCJXPQPKAOODHX-UHFFFAOYSA-N -1 3 361.368 2.663 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(CC=C)CCCC2)ccc1F ZINC000855927346 730292650 /nfs/dbraw/zinc/29/26/50/730292650.db2.gz JQXQULACUOPLHX-UHFFFAOYSA-N -1 3 366.458 2.909 20 30 FFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000859424664 730454352 /nfs/dbraw/zinc/45/43/52/730454352.db2.gz VGGVCLROJPVCKN-JTQLQIEISA-N -1 3 366.302 2.526 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nnc(C2CC2)s1 ZINC000859478179 730455959 /nfs/dbraw/zinc/45/59/59/730455959.db2.gz SVSKUYVLRJRESE-UHFFFAOYSA-N -1 3 358.423 2.681 20 30 FFEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000645883205 730615985 /nfs/dbraw/zinc/61/59/85/730615985.db2.gz PNQRHCKRYWZKEN-CYBMUJFWSA-N -1 3 370.883 2.516 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)cc2C#N)cs1 ZINC000872461127 731772539 /nfs/dbraw/zinc/77/25/39/731772539.db2.gz OLVLPWRADMQNIL-LLVKDONJSA-N -1 3 351.453 2.509 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1cccc(C#N)c1 ZINC000881956275 733142720 /nfs/dbraw/zinc/14/27/20/733142720.db2.gz IAJJERKYKXGFLY-ZLOXQWCVSA-N -1 3 369.512 2.884 20 30 FFEDHM COC(=O)[C@H](C[C@H]1CCCO1)/N=C/c1cc(Br)ccc1[O-] ZINC000887272958 733903069 /nfs/dbraw/zinc/90/30/69/733903069.db2.gz ZCEDLOUFZCWNDB-OHXOBVGHSA-N -1 3 356.216 2.684 20 30 FFEDHM Cc1ncc(CO)c(C=NNc2ccc(C#N)c(C(F)(F)F)c2)c1[O-] ZINC000726426218 734423525 /nfs/dbraw/zinc/42/35/25/734423525.db2.gz RZWZPCWLOASZIR-UHFFFAOYSA-N -1 3 350.300 2.924 20 30 FFEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000726559891 734434767 /nfs/dbraw/zinc/43/47/67/734434767.db2.gz PHRXVNGXCIDIQQ-CYBMUJFWSA-N -1 3 369.462 2.571 20 30 FFEDHM CC(Cc1cccs1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000729639179 734587880 /nfs/dbraw/zinc/58/78/80/734587880.db2.gz YWOAHFSHJBZXSD-UHFFFAOYSA-N -1 3 353.425 2.694 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(F)c1 ZINC000729854270 734599490 /nfs/dbraw/zinc/59/94/90/734599490.db2.gz XLPGZDFFCDDLDJ-UHFFFAOYSA-N -1 3 370.818 2.538 20 30 FFEDHM C#CCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000733321606 734808924 /nfs/dbraw/zinc/80/89/24/734808924.db2.gz ICXPSRTURNEAII-UHFFFAOYSA-N -1 3 356.163 2.770 20 30 FFEDHM Cc1nc(C)c(CC(=O)OCc2cc(Cl)ccc2OCC#N)c(=O)[n-]1 ZINC000735342998 734942916 /nfs/dbraw/zinc/94/29/16/734942916.db2.gz KBJLNJURQXJABH-UHFFFAOYSA-N -1 3 361.785 2.641 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735380912 734944929 /nfs/dbraw/zinc/94/49/29/734944929.db2.gz NWWUONMZYUUXFL-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735380912 734944932 /nfs/dbraw/zinc/94/49/32/734944932.db2.gz NWWUONMZYUUXFL-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C=CCCCOC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000735523356 734949746 /nfs/dbraw/zinc/94/97/46/734949746.db2.gz KQWPSCBEYJKRNJ-HNNXBMFYSA-N -1 3 364.467 2.649 20 30 FFEDHM CN1CCN(c2ccc(N=Cc3ccc(O)c([O-])c3O)cc2Cl)CC1 ZINC000749103726 735694733 /nfs/dbraw/zinc/69/47/33/735694733.db2.gz ACBWWAOBNHKPTA-UHFFFAOYSA-N -1 3 361.829 2.959 20 30 FFEDHM C=CCn1ncc2ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc21 ZINC000901953496 735877390 /nfs/dbraw/zinc/87/73/90/735877390.db2.gz FMXXSHZAMLBDCY-UHFFFAOYSA-N -1 3 363.361 2.543 20 30 FFEDHM C#Cc1ccc([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)c(Cl)c1 ZINC000901963889 735880421 /nfs/dbraw/zinc/88/04/21/735880421.db2.gz ZHKOXZQHEBSXAX-INIZCTEOSA-N -1 3 357.859 2.647 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H](NCc3ccc(C(=O)[O-])s3)C2=O)cc1 ZINC000903683365 736150572 /nfs/dbraw/zinc/15/05/72/736150572.db2.gz LOALJHOKRDWTLZ-OAHLLOKOSA-N -1 3 355.419 2.603 20 30 FFEDHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NN1CC(=O)[N-]C1=O ZINC000754713190 736190369 /nfs/dbraw/zinc/19/03/69/736190369.db2.gz FEHKQFRWHNXLJZ-UHFFFAOYSA-N -1 3 359.817 2.594 20 30 FFEDHM CCCCN([O-])C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000904212940 736234219 /nfs/dbraw/zinc/23/42/19/736234219.db2.gz ZCBZXTGJIFILCQ-UHFFFAOYSA-N -1 3 355.435 2.550 20 30 FFEDHM COc1ccc(CC2N=NC(=S)N2N=Cc2ccc([O-])c(F)c2)cc1 ZINC000755606949 736264602 /nfs/dbraw/zinc/26/46/02/736264602.db2.gz VUNIQDNBDNDASV-UHFFFAOYSA-N -1 3 358.398 2.893 20 30 FFEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)C(C)(C)CC4)nn2c1 ZINC000906263989 736477367 /nfs/dbraw/zinc/47/73/67/736477367.db2.gz BBXSSVSESJXLSO-UHFFFAOYSA-N -1 3 352.423 2.842 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(F)c(C#N)c2)ccc1F ZINC000758944745 736534634 /nfs/dbraw/zinc/53/46/34/736534634.db2.gz YJVFICFWKFJBHE-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000759307621 736561500 /nfs/dbraw/zinc/56/15/00/736561500.db2.gz WGNMYGKCYAPBHQ-LLVKDONJSA-N -1 3 362.382 2.987 20 30 FFEDHM N#Cc1c(F)ccc(C=N[N-]S(=O)(=O)Cc2ccccc2)c1Cl ZINC000761801826 736761809 /nfs/dbraw/zinc/76/18/09/736761809.db2.gz YPOHMFUFSQUBJQ-UHFFFAOYSA-N -1 3 351.790 2.804 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCc2ccccc2)ccc1F ZINC000914458368 737579630 /nfs/dbraw/zinc/57/96/30/737579630.db2.gz NJHABETZSRAMED-UHFFFAOYSA-N -1 3 363.410 2.690 20 30 FFEDHM COC(=O)COc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1Cl ZINC000771098158 737696236 /nfs/dbraw/zinc/69/62/36/737696236.db2.gz MNTFVPHATHDBKV-UHFFFAOYSA-N -1 3 364.785 2.544 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc(Br)o1 ZINC000917509380 737761631 /nfs/dbraw/zinc/76/16/31/737761631.db2.gz QZZDZQDJICMBHO-QZPNVGJNSA-N -1 3 360.167 2.798 20 30 FFEDHM CCOc1cc(C=NNc2ccccc2S(N)(=O)=O)cc(Cl)c1[O-] ZINC000773114317 737872413 /nfs/dbraw/zinc/87/24/13/737872413.db2.gz WFMXWJJDTWVUPP-UHFFFAOYSA-N -1 3 369.830 2.538 20 30 FFEDHM C=C(CC)COC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773456934 737908578 /nfs/dbraw/zinc/90/85/78/737908578.db2.gz QGIMTJYCMVHOQU-HNNXBMFYSA-N -1 3 364.467 2.793 20 30 FFEDHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000920553464 737914109 /nfs/dbraw/zinc/91/41/09/737914109.db2.gz AVDTWQQKJKKMNJ-GOSISDBHSA-N -1 3 356.447 2.944 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc(C#N)c2F)ccc1F ZINC000774938258 738042535 /nfs/dbraw/zinc/04/25/35/738042535.db2.gz DMUCZOSKMZKNNE-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@H](C#N)C2CCCCC2)ccc1F ZINC000776382571 738188961 /nfs/dbraw/zinc/18/89/61/738188961.db2.gz WOQDVHPJEJAAQS-OAHLLOKOSA-N -1 3 354.403 2.826 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCN2C2CCCC2)n1 ZINC000786879613 739084663 /nfs/dbraw/zinc/08/46/63/739084663.db2.gz OBIPGEWVTTWPKC-LSDHHAIUSA-N -1 3 361.467 2.578 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1 ZINC000931595871 739294657 /nfs/dbraw/zinc/29/46/57/739294657.db2.gz MPXIGRHWXAXCLQ-ZCFIWIBFSA-N -1 3 353.322 2.966 20 30 FFEDHM COc1c([O-])c(C=NNc2cccc(F)c2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000790307010 739436150 /nfs/dbraw/zinc/43/61/50/739436150.db2.gz RDGDWKCPSBCAHP-UHFFFAOYSA-N -1 3 350.262 2.802 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C)c1SC ZINC000791772102 739601232 /nfs/dbraw/zinc/60/12/32/739601232.db2.gz WJQJOBPKYMDNKG-NSHDSACASA-N -1 3 358.423 2.502 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CC2CCC2)ccc1F ZINC000794285295 739871728 /nfs/dbraw/zinc/87/17/28/739871728.db2.gz SQWVRPLTWCZYQR-UHFFFAOYSA-N -1 3 354.447 2.552 20 30 FFEDHM CCOC(=O)c1scnc1/C=C\C(=O)c1cc(OC)c([O-])cc1OC ZINC000794941192 739944591 /nfs/dbraw/zinc/94/45/91/739944591.db2.gz KIUSCXJCRZTJOK-WAYWQWQTSA-N -1 3 363.391 2.939 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000795930629 740081785 /nfs/dbraw/zinc/08/17/85/740081785.db2.gz IDWKCYZPTXLTNH-NEPJUHHUSA-N -1 3 367.776 2.818 20 30 FFEDHM C=C1CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CC1 ZINC000800904047 740562966 /nfs/dbraw/zinc/56/29/66/740562966.db2.gz NRFOMTPODFDQKZ-UHFFFAOYSA-N -1 3 353.444 2.641 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000811043224 741475020 /nfs/dbraw/zinc/47/50/20/741475020.db2.gz YAUPNMBJRXNPRU-YGRLFVJLSA-N -1 3 365.817 2.534 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 ZINC000811188362 741492050 /nfs/dbraw/zinc/49/20/50/741492050.db2.gz GZWZMLWODVLKTA-UHFFFAOYSA-N -1 3 366.160 2.761 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000811186583 741492067 /nfs/dbraw/zinc/49/20/67/741492067.db2.gz QWBMZLWNCLOCSC-MRXNPFEDSA-N -1 3 356.765 2.880 20 30 FFEDHM O=C(CCCCc1ccc(Br)cc1)N[C@H]1CCCN([O-])C1=O ZINC000816759483 742059393 /nfs/dbraw/zinc/05/93/93/742059393.db2.gz NPGNHVRQJBYHRC-AWEZNQCLSA-N -1 3 369.259 2.658 20 30 FFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000832170744 745650716 /nfs/dbraw/zinc/65/07/16/745650716.db2.gz TUIPTFAEKMUMPX-UHFFFAOYSA-N -1 3 363.233 2.848 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CC(C)(C)C2)ccc1F ZINC000838147479 746583994 /nfs/dbraw/zinc/58/39/94/746583994.db2.gz ZPQUPZQILGQTAR-UHFFFAOYSA-N -1 3 354.447 2.551 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC=C(C)C ZINC000839223884 746803051 /nfs/dbraw/zinc/80/30/51/746803051.db2.gz OOFZNKOQHYPJIJ-OAHLLOKOSA-N -1 3 364.467 2.793 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)C2CC(C)(C)C2)ccc1F ZINC000840536998 747119785 /nfs/dbraw/zinc/11/97/85/747119785.db2.gz AZUFDPRMTQXGMG-UHFFFAOYSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000841567198 747404649 /nfs/dbraw/zinc/40/46/49/747404649.db2.gz UBHXMKFQOZKNCE-CQSZACIVSA-N -1 3 353.875 2.848 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)ccc1F ZINC000843620634 747867550 /nfs/dbraw/zinc/86/75/50/747867550.db2.gz XKALPUZXILXIQK-BBRMVZONSA-N -1 3 366.458 2.695 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCSc1ccccn1 ZINC000851133835 749516144 /nfs/dbraw/zinc/51/61/44/749516144.db2.gz YOSVCWMZDLYVQL-UHFFFAOYSA-N -1 3 357.435 2.939 20 30 FFEDHM C[C@@H](CC(=O)O[C@@H](C)C1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000851140121 749517228 /nfs/dbraw/zinc/51/72/28/749517228.db2.gz YRSQGIVDVCOOFX-STQMWFEESA-N -1 3 364.467 2.626 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)CC1 ZINC000908945127 939360759 /nfs/dbraw/zinc/36/07/59/939360759.db2.gz AXYCEZSXPPAISS-SFHVURJKSA-N -1 3 359.470 2.769 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735380653 944643219 /nfs/dbraw/zinc/64/32/19/944643219.db2.gz KOVXISFNDJBNQH-UHFFFAOYSA-N -1 3 368.397 2.827 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735380653 944643224 /nfs/dbraw/zinc/64/32/24/944643224.db2.gz KOVXISFNDJBNQH-UHFFFAOYSA-N -1 3 368.397 2.827 20 30 FFEDHM COc1ccc(Cl)cc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737097517 944956796 /nfs/dbraw/zinc/95/67/96/944956796.db2.gz LOYSCACQYUEUGV-UHFFFAOYSA-N -1 3 368.784 2.582 20 30 FFEDHM COc1ccc(Cl)cc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737097517 944956803 /nfs/dbraw/zinc/95/68/03/944956803.db2.gz LOYSCACQYUEUGV-UHFFFAOYSA-N -1 3 368.784 2.582 20 30 FFEDHM C#CCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823846148 946490589 /nfs/dbraw/zinc/49/05/89/946490589.db2.gz ZTXIVUBMTXDZJO-CQSZACIVSA-N -1 3 360.421 2.917 20 30 FFEDHM C#CCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823846148 946490593 /nfs/dbraw/zinc/49/05/93/946490593.db2.gz ZTXIVUBMTXDZJO-CQSZACIVSA-N -1 3 360.421 2.917 20 30 FFEDHM C=CC[C@H](C)NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823888717 946501304 /nfs/dbraw/zinc/50/13/04/946501304.db2.gz UQSOLSQFVKIHDP-JTQLQIEISA-N -1 3 372.820 2.792 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573292836 946939804 /nfs/dbraw/zinc/93/98/04/946939804.db2.gz DOSSOXFPTQINIR-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573292836 946939815 /nfs/dbraw/zinc/93/98/15/946939815.db2.gz DOSSOXFPTQINIR-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(Cl)CNC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573295237 947011929 /nfs/dbraw/zinc/01/19/29/947011929.db2.gz MTAYYFSVCRKBNI-SNVBAGLBSA-N -1 3 360.727 2.522 20 30 FFEDHM C=C(Cl)CNC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573295237 947011937 /nfs/dbraw/zinc/01/19/37/947011937.db2.gz MTAYYFSVCRKBNI-SNVBAGLBSA-N -1 3 360.727 2.522 20 30 FFEDHM CC[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825038779 947053267 /nfs/dbraw/zinc/05/32/67/947053267.db2.gz ICURZMKMHUIFTI-MRXNPFEDSA-N -1 3 362.393 2.879 20 30 FFEDHM CC[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825038779 947053278 /nfs/dbraw/zinc/05/32/78/947053278.db2.gz ICURZMKMHUIFTI-MRXNPFEDSA-N -1 3 362.393 2.879 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573305516 947157008 /nfs/dbraw/zinc/15/70/08/947157008.db2.gz RHHPLJUMSCJCIP-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573305516 947157011 /nfs/dbraw/zinc/15/70/11/947157011.db2.gz RHHPLJUMSCJCIP-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001573326764 947377658 /nfs/dbraw/zinc/37/76/58/947377658.db2.gz UGHXHZYASTYBMH-AWEZNQCLSA-N -1 3 368.466 2.915 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573334085 947447750 /nfs/dbraw/zinc/44/77/50/947447750.db2.gz JKXXFFDRDWROGW-OAHLLOKOSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573334085 947447757 /nfs/dbraw/zinc/44/77/57/947447757.db2.gz JKXXFFDRDWROGW-OAHLLOKOSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cncc(Cl)c1 ZINC001573342494 947542893 /nfs/dbraw/zinc/54/28/93/947542893.db2.gz ZNEHHOVXHAVUNC-UHFFFAOYSA-N -1 3 354.801 2.744 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cncc(Cl)c1 ZINC001573342494 947542901 /nfs/dbraw/zinc/54/29/01/947542901.db2.gz ZNEHHOVXHAVUNC-UHFFFAOYSA-N -1 3 354.801 2.744 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC2(CCC2)C1 ZINC001573348197 947581924 /nfs/dbraw/zinc/58/19/24/947581924.db2.gz NVSBODGBBSPLSS-UHFFFAOYSA-N -1 3 362.441 2.692 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC2(CCC2)C1 ZINC001573348197 947581935 /nfs/dbraw/zinc/58/19/35/947581935.db2.gz NVSBODGBBSPLSS-UHFFFAOYSA-N -1 3 362.441 2.692 20 30 FFEDHM C=CCO[N-]C(=O)c1c(Cl)ccc(I)c1F ZINC001569150645 1077132433 /nfs/dbraw/zinc/13/24/33/1077132433.db2.gz IBZYLRLMFOCWHO-UHFFFAOYSA-N -1 3 355.534 2.931 20 30 FFEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)s1 ZINC000140361744 965186889 /nfs/dbraw/zinc/18/68/89/965186889.db2.gz NNUGFMAUSINUQS-LBPRGKRZSA-N -1 3 373.434 2.992 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)Cc2cccc(OCC#N)c2)c([O-])c1 ZINC000760564578 975549036 /nfs/dbraw/zinc/54/90/36/975549036.db2.gz VNNKHUVIDLAAEM-UHFFFAOYSA-N -1 3 354.362 2.652 20 30 FFEDHM N#CCCCN1CC[C@@]2(CCCN2C(=O)c2cc([O-])ccc2Cl)C1=O ZINC001271915038 979265172 /nfs/dbraw/zinc/26/51/72/979265172.db2.gz LQKOULTUFKZPSI-SFHVURJKSA-N -1 3 361.829 2.556 20 30 FFEDHM O=C(C1CCC(F)(F)CC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904184714 980204496 /nfs/dbraw/zinc/20/44/96/980204496.db2.gz YZMYMFSEMJGXDX-UHFFFAOYSA-N -1 3 366.364 2.716 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1n[nH]c2c1CCCC2 ZINC000128981804 980420015 /nfs/dbraw/zinc/42/00/15/980420015.db2.gz OQZOPLWKIDFBSH-CYBMUJFWSA-N -1 3 352.394 2.648 20 30 FFEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000908638583 981483604 /nfs/dbraw/zinc/48/36/04/981483604.db2.gz PEUNYCPHDUILHL-QGZVFWFLSA-N -1 3 355.438 2.735 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000129882230 984920513 /nfs/dbraw/zinc/92/05/13/984920513.db2.gz DIPBFKOCRIPOJV-KRWDZBQOSA-N -1 3 374.400 2.901 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001597584516 988389347 /nfs/dbraw/zinc/38/93/47/988389347.db2.gz CZCKXQKFRARGKI-PMPSAXMXSA-N -1 3 356.422 2.960 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccccc1C ZINC000917509366 990234083 /nfs/dbraw/zinc/23/40/83/990234083.db2.gz FAGDBFSHIGTOEA-OAHLLOKOSA-N -1 3 359.389 2.845 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(CC#N)cc2)c([N+](=O)[O-])s1 ZINC001212305046 991633855 /nfs/dbraw/zinc/63/38/55/991633855.db2.gz WTMQLOGAMIYTQK-UHFFFAOYSA-N -1 3 351.409 2.509 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1n[n-]c2c1cccc2OC)c1ccc(C#N)cc1 ZINC000808675027 994218334 /nfs/dbraw/zinc/21/83/34/994218334.db2.gz UONOZACNADTDOE-QGZVFWFLSA-N -1 3 365.345 2.514 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1[n-]nc2c1cccc2OC)c1ccc(C#N)cc1 ZINC000808675027 994218348 /nfs/dbraw/zinc/21/83/48/994218348.db2.gz UONOZACNADTDOE-QGZVFWFLSA-N -1 3 365.345 2.514 20 30 FFEDHM N#CCCCCC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131497715 994317351 /nfs/dbraw/zinc/31/73/51/994317351.db2.gz HADIPXTWSBJCJW-UHFFFAOYSA-N -1 3 366.830 2.918 20 30 FFEDHM N#CCCCCC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001131497715 994317361 /nfs/dbraw/zinc/31/73/61/994317361.db2.gz HADIPXTWSBJCJW-UHFFFAOYSA-N -1 3 366.830 2.918 20 30 FFEDHM Cc1ccc(N2CCC[C@@H](OC(=O)c3cc([O-])cc(C#N)c3)C2=O)cc1 ZINC000811186423 995051628 /nfs/dbraw/zinc/05/16/28/995051628.db2.gz NCZLTUVBXUCQPN-GOSISDBHSA-N -1 3 350.374 2.925 20 30 FFEDHM CC[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(OC)cc1 ZINC000811184562 995051806 /nfs/dbraw/zinc/05/18/06/995051806.db2.gz AEPVLOYOQDWLOK-KRWDZBQOSA-N -1 3 354.362 2.847 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2ccccc2O)c(C)c1[O-] ZINC001144261490 998208561 /nfs/dbraw/zinc/20/85/61/998208561.db2.gz LBOPHLZKYIUCSC-UHFFFAOYSA-N -1 3 354.362 2.636 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(C)(C)Br)c(C)c1[O-] ZINC001144554512 998649097 /nfs/dbraw/zinc/64/90/97/998649097.db2.gz WORHXPOIYDJCKA-UHFFFAOYSA-N -1 3 369.215 2.861 20 30 FFEDHM C[C@H](OCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1nccn1C ZINC000845845175 998663866 /nfs/dbraw/zinc/66/38/66/998663866.db2.gz WCMSJBSTBXFYCH-HOCLYGCPSA-N -1 3 351.406 2.507 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000743045692 999797372 /nfs/dbraw/zinc/79/73/72/999797372.db2.gz UFXSBBFEGKECFH-BVOPITCDSA-N -1 3 356.357 2.957 20 30 FFEDHM Cn1cc(-c2cccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2)cn1 ZINC000744038875 999841830 /nfs/dbraw/zinc/84/18/30/999841830.db2.gz BHUOQCYYVWXCRZ-KRWDZBQOSA-N -1 3 360.421 2.895 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]c1nnc(C)cc1-c1nc(C)cs1 ZINC001169964444 1000091140 /nfs/dbraw/zinc/09/11/40/1000091140.db2.gz BCQFKSPWKCVAMB-UHFFFAOYSA-N -1 3 355.383 2.643 20 30 FFEDHM COc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)c([N+](=O)[O-])cc1[O-] ZINC000767109517 1000099101 /nfs/dbraw/zinc/09/91/01/1000099101.db2.gz LYTWNBWSLKVSDB-UHFFFAOYSA-N -1 3 374.378 2.579 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cncc(OC(C)C)c2)c1 ZINC000770100119 1000677331 /nfs/dbraw/zinc/67/73/31/1000677331.db2.gz OXBFIQCSXAKATP-KRWDZBQOSA-N -1 3 353.378 2.839 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C(C)C)c2)cc1 ZINC000786929567 1001650141 /nfs/dbraw/zinc/65/01/41/1001650141.db2.gz LEIQPBHPGRKZOV-MRXNPFEDSA-N -1 3 368.393 2.602 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CCCN2CC2CC2)c(C)c1[O-] ZINC001182557098 1001948267 /nfs/dbraw/zinc/94/82/67/1001948267.db2.gz BDXBKPMJDMJZTG-INIZCTEOSA-N -1 3 371.437 2.562 20 30 FFEDHM CCCCCCN([O-])C(=O)CNC(=O)c1cccc(Br)c1 ZINC001184305925 1002552779 /nfs/dbraw/zinc/55/27/79/1002552779.db2.gz WTCVKGRUNISELA-UHFFFAOYSA-N -1 3 357.248 2.977 20 30 FFEDHM N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)c(F)c1 ZINC001096823559 1016655201 /nfs/dbraw/zinc/65/52/01/1016655201.db2.gz MDDIZFJLYZHGKU-LZQZEXGQSA-N -1 3 365.408 2.938 20 30 FFEDHM Cc1cccc(-n2cnc(C(=O)[N-]c3nc4ncccc4cc3C#N)n2)c1 ZINC001184667159 1002681163 /nfs/dbraw/zinc/68/11/63/1002681163.db2.gz UXBNJODPPLAYPE-UHFFFAOYSA-N -1 3 355.361 2.643 20 30 FFEDHM CCCCCCCCOC(=O)C[N-]S(=O)(=O)c1cccnc1Cl ZINC001184899442 1002742223 /nfs/dbraw/zinc/74/22/23/1002742223.db2.gz FXQLUEXRXUDQJQ-UHFFFAOYSA-N -1 3 362.879 2.917 20 30 FFEDHM C#CCn1ccc(CN(CCOC)C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000792492173 1003011661 /nfs/dbraw/zinc/01/16/61/1003011661.db2.gz UDJWNXINZYARQP-UHFFFAOYSA-N -1 3 363.417 2.664 20 30 FFEDHM Cc1ccc(C#N)c(N2C[C@@H](C)[C@H](CCNC(=O)c3ccccc3[O-])C2)n1 ZINC001092491855 1003067226 /nfs/dbraw/zinc/06/72/26/1003067226.db2.gz MBDWFRYLINDCJM-RHSMWYFYSA-N -1 3 364.449 2.860 20 30 FFEDHM CCC(C#N)(CC)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186365643 1003290301 /nfs/dbraw/zinc/29/03/01/1003290301.db2.gz BQEOWKDQQHWRKF-UHFFFAOYSA-N -1 3 366.668 2.858 20 30 FFEDHM COc1cccc(F)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196697144 1003916578 /nfs/dbraw/zinc/91/65/78/1003916578.db2.gz BLMHUXLSNFYEFE-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM O=C(NCCCc1c[n-][nH]c1=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001196714004 1003923866 /nfs/dbraw/zinc/92/38/66/1003923866.db2.gz IKSYYFRQUQPDSQ-HNNXBMFYSA-N -1 3 366.446 2.781 20 30 FFEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC001196888639 1003988854 /nfs/dbraw/zinc/98/88/54/1003988854.db2.gz SOGQCYOKDFLJLN-UHFFFAOYSA-N -1 3 374.418 2.771 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc([O-])cc2OC)c(C)c1O ZINC001197171785 1004109990 /nfs/dbraw/zinc/10/99/90/1004109990.db2.gz PNBXGRVBGRQZQY-UHFFFAOYSA-N -1 3 370.361 2.716 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)C(O)(c1ccccc1)c1ccccc1 ZINC001193170175 1004396733 /nfs/dbraw/zinc/39/67/33/1004396733.db2.gz GYOMRHICQIUGHP-APWZRJJASA-N -1 3 372.490 2.779 20 30 FFEDHM COC(=O)c1scc(C#N)c1NC(=O)c1ccc([O-])c(O)c1Cl ZINC001193210105 1004403181 /nfs/dbraw/zinc/40/31/81/1004403181.db2.gz UGPILCKFQXYELY-UHFFFAOYSA-N -1 3 352.755 2.723 20 30 FFEDHM N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CF)c1ccc(F)cc1 ZINC001193925755 1004606376 /nfs/dbraw/zinc/60/63/76/1004606376.db2.gz AGXNJQULHBTGKQ-AWEZNQCLSA-N -1 3 367.333 2.595 20 30 FFEDHM C=C1CC(C(=O)NC23CC(C(=O)Nc4nc5c(cccc5[O-])s4)(C2)C3)C1 ZINC001273768220 1004669904 /nfs/dbraw/zinc/66/99/04/1004669904.db2.gz ISUMUFBUVUBDMJ-UHFFFAOYSA-N -1 3 369.446 2.946 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccc(C#N)cc1[O-])[C@H]2C ZINC001195740503 1005037600 /nfs/dbraw/zinc/03/76/00/1005037600.db2.gz ADAQVQLXUVIFFK-AWEZNQCLSA-N -1 3 367.453 2.518 20 30 FFEDHM Cc1ccc(S(=O)(=O)Nc2ncc([O-])cc2Br)cc1C#N ZINC001201295606 1005196021 /nfs/dbraw/zinc/19/60/21/1005196021.db2.gz WHQRNVMFAOZVRV-UHFFFAOYSA-N -1 3 368.212 2.531 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000776274386 1005340584 /nfs/dbraw/zinc/34/05/84/1005340584.db2.gz NJVMPOUGIJKJAR-NWDGAFQWSA-N -1 3 356.353 2.826 20 30 FFEDHM C#CCC1(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@]3(C)C2)CCC1 ZINC001490205309 1005668389 /nfs/dbraw/zinc/66/83/89/1005668389.db2.gz CCZKPAAQSKSSQV-HRAATJIYSA-N -1 3 366.461 2.506 20 30 FFEDHM C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)CCc1cccc2ccccc21)C(=O)OCC ZINC001187660147 1006188834 /nfs/dbraw/zinc/18/88/34/1006188834.db2.gz VRHJRGXVCAXGPX-XLIONFOSSA-N -1 3 373.474 2.810 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nnsc2C2CC2)c(C)c1[O-] ZINC001188091903 1006407382 /nfs/dbraw/zinc/40/73/82/1006407382.db2.gz AZMASPGZRPBYDA-UHFFFAOYSA-N -1 3 372.406 2.730 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1conc1Cc1ccccc1 ZINC000814859861 1006452359 /nfs/dbraw/zinc/45/23/59/1006452359.db2.gz DFMCKIWPXAMNIM-UHFFFAOYSA-N -1 3 369.446 2.761 20 30 FFEDHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(F)cc1F ZINC001116189682 1032180638 /nfs/dbraw/zinc/18/06/38/1032180638.db2.gz VALCMXBXLNZXIF-UHFFFAOYSA-N -1 3 365.361 2.790 20 30 FFEDHM C[C@H]1CCCN(c2cc(C(=O)N([O-])C(=N)c3ccccc3N)ccn2)C1 ZINC001189629093 1007194315 /nfs/dbraw/zinc/19/43/15/1007194315.db2.gz FBMSFOCCHCQOFP-ZDUSSCGKSA-N -1 3 353.426 2.757 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-]c2ccc3c4c2cccc4C(=O)NC3=O)CC1 ZINC001190813700 1007813606 /nfs/dbraw/zinc/81/36/06/1007813606.db2.gz OLPZKQHGMUKKCM-UHFFFAOYSA-N -1 3 356.403 2.574 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCC(F)F)c2)c1 ZINC000136593025 1008546151 /nfs/dbraw/zinc/54/61/51/1008546151.db2.gz ZTIDZIBDBAGSMQ-CQSZACIVSA-N -1 3 359.332 2.995 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C3CC3)nn2)cc1 ZINC000860470391 1009018012 /nfs/dbraw/zinc/01/80/12/1009018012.db2.gz OZQCJQFTAJHNMS-INIZCTEOSA-N -1 3 351.410 2.917 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)[n-]n1 ZINC000860627969 1009086710 /nfs/dbraw/zinc/08/67/10/1009086710.db2.gz QYLBFFGAWGUZDY-UHFFFAOYSA-N -1 3 352.394 2.909 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)n[n-]1 ZINC000860627969 1009086722 /nfs/dbraw/zinc/08/67/22/1009086722.db2.gz QYLBFFGAWGUZDY-UHFFFAOYSA-N -1 3 352.394 2.909 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1[O-] ZINC000887734566 1009546091 /nfs/dbraw/zinc/54/60/91/1009546091.db2.gz DMDBNYROECFELZ-LJQANCHMSA-N -1 3 350.374 2.680 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CN(C)c2ccccc2)c(C)c1[O-] ZINC001180947902 1009909688 /nfs/dbraw/zinc/90/96/88/1009909688.db2.gz LQSUAHFQZWXAHR-UHFFFAOYSA-N -1 3 367.405 2.824 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1 ZINC000119603163 1010310849 /nfs/dbraw/zinc/31/08/49/1010310849.db2.gz ITLGMATWCCEWRK-MRXNPFEDSA-N -1 3 369.446 2.908 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Cc2nccs2)C1 ZINC000890228965 1010312815 /nfs/dbraw/zinc/31/28/15/1010312815.db2.gz FIFCDILSIDPJLP-CQSZACIVSA-N -1 3 370.478 2.756 20 30 FFEDHM COCCOc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccn1 ZINC000777303045 1010476669 /nfs/dbraw/zinc/47/66/69/1010476669.db2.gz WLDKUXFRHPNXRC-OAHLLOKOSA-N -1 3 373.796 2.721 20 30 FFEDHM C#CCN1CC2(CCC1=O)CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001275686758 1012859823 /nfs/dbraw/zinc/85/98/23/1012859823.db2.gz OSGYFADUGQUHKR-UHFFFAOYSA-N -1 3 360.841 2.524 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000827852928 1018788084 /nfs/dbraw/zinc/78/80/84/1018788084.db2.gz ZINHEDAYJDQGKZ-WWGRRREGSA-N -1 3 369.387 2.866 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(COC)o1 ZINC001116290565 1021156239 /nfs/dbraw/zinc/15/62/39/1021156239.db2.gz JZXOXHYKYLVFOL-UHFFFAOYSA-N -1 3 359.407 2.780 20 30 FFEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnc(C2CC2)o1 ZINC001117197085 1021605729 /nfs/dbraw/zinc/60/57/29/1021605729.db2.gz SSUJREXTQWPESD-ZDUSSCGKSA-N -1 3 360.439 2.773 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2cccc(C(=O)Nc3ccccn3)c2)c1[O-] ZINC000750949138 1022733940 /nfs/dbraw/zinc/73/39/40/1022733940.db2.gz SJYAOZSBMRVKGV-UHFFFAOYSA-N -1 3 362.389 2.986 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](COCC)C1 ZINC001122482703 1023297047 /nfs/dbraw/zinc/29/70/47/1023297047.db2.gz PBEZXCFXMFKPHD-OAHLLOKOSA-N -1 3 372.473 2.578 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC2(C[C@H]1C)CCOCC2 ZINC001122585994 1023353189 /nfs/dbraw/zinc/35/31/89/1023353189.db2.gz GVKKXFAQBSHMQY-CYBMUJFWSA-N -1 3 359.430 2.610 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)cc1 ZINC000754821885 1023523097 /nfs/dbraw/zinc/52/30/97/1023523097.db2.gz FTIJLAORFJZKBZ-HNNXBMFYSA-N -1 3 353.378 2.839 20 30 FFEDHM COC(=O)c1cccc(COC(=O)c2cc(-c3ccco3)[n-]n2)c1C#N ZINC000756165712 1023676903 /nfs/dbraw/zinc/67/69/03/1023676903.db2.gz YCIJCEJQXUYSBC-UHFFFAOYSA-N -1 3 351.318 2.685 20 30 FFEDHM COC(=O)c1cccc(COC(=O)c2cc(-c3ccco3)n[n-]2)c1C#N ZINC000756165712 1023676908 /nfs/dbraw/zinc/67/69/08/1023676908.db2.gz YCIJCEJQXUYSBC-UHFFFAOYSA-N -1 3 351.318 2.685 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2cc3c(cc2OC(F)F)OCO3)c1[O-] ZINC000756772313 1023754289 /nfs/dbraw/zinc/75/42/89/1023754289.db2.gz MBYPSNNINKQUAW-CGOBSMCZSA-N -1 3 366.320 2.537 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)CC[C@@H]1CCCCO1 ZINC000837390005 1025767368 /nfs/dbraw/zinc/76/73/68/1025767368.db2.gz BTMYTFGBRHYGPM-INIZCTEOSA-N -1 3 374.437 2.670 20 30 FFEDHM CS(=O)(=O)c1cc(C(=O)N([O-])Cc2ccccc2Cl)ccc1F ZINC001161808256 1028320713 /nfs/dbraw/zinc/32/07/13/1028320713.db2.gz ZPIVDUWFJFTDBC-UHFFFAOYSA-N -1 3 357.790 2.914 20 30 FFEDHM Cn1c2ccccc2n(CCC(=O)N([O-])CCCCc2ccccc2)c1=O ZINC001161807078 1028321354 /nfs/dbraw/zinc/32/13/54/1028321354.db2.gz BLJGCMXTYOZWOE-UHFFFAOYSA-N -1 3 367.449 2.971 20 30 FFEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC001161842301 1028329859 /nfs/dbraw/zinc/32/98/59/1028329859.db2.gz ACJRGEYCJSBYIC-GFCCVEGCSA-N -1 3 351.399 2.751 20 30 FFEDHM COc1ccc2ncc([O-])c(C(=O)NCc3ccc(C#N)c(F)c3)c2c1 ZINC001154518439 1028331049 /nfs/dbraw/zinc/33/10/49/1028331049.db2.gz RXZZGZVFXJQXTA-UHFFFAOYSA-N -1 3 351.337 2.890 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](O)c3ccc(C#N)cc3)c2)n1 ZINC000780895430 1028852975 /nfs/dbraw/zinc/85/29/75/1028852975.db2.gz SOMHNXSOXUPSLR-LJQANCHMSA-N -1 3 374.400 2.955 20 30 FFEDHM C#CCN(CC#CC)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780954296 1028891095 /nfs/dbraw/zinc/89/10/95/1028891095.db2.gz MTFMMPOWEFOURT-OAQYLSRUSA-N -1 3 374.440 2.739 20 30 FFEDHM CSc1nc(-c2ccccc2)nc(NCCCc2c[n-][nH]c2=O)c1C#N ZINC001156278330 1029123084 /nfs/dbraw/zinc/12/30/84/1029123084.db2.gz HLYUJQGWIPCYLI-CYBMUJFWSA-N -1 3 366.450 2.661 20 30 FFEDHM N#Cc1ccccc1Oc1nc(Cl)ncc1NCCCc1c[n-][nH]c1=O ZINC001156285001 1029125983 /nfs/dbraw/zinc/12/59/83/1029125983.db2.gz BQAPZYCNDSWQJQ-LBPRGKRZSA-N -1 3 370.800 2.718 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CCCCC(=O)OCc2ccccc2)c1[O-] ZINC000781542431 1029267237 /nfs/dbraw/zinc/26/72/37/1029267237.db2.gz DRQQGRRZKMAIMA-MTJSOVHGSA-N -1 3 356.422 2.921 20 30 FFEDHM Cn1nc(C(=O)Nc2ccc([O-])c(C#N)c2)c2cc(Br)cnc21 ZINC001157214304 1029508492 /nfs/dbraw/zinc/50/84/92/1029508492.db2.gz FJYKZCXSNIFEOB-UHFFFAOYSA-N -1 3 372.182 2.560 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3cc[nH]c3n2)c(C)c1[O-] ZINC001151599594 1031995498 /nfs/dbraw/zinc/99/54/98/1031995498.db2.gz YAJAOENDZNJUFG-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](O/C(=N\[O-])c2ccccn2)C(F)(F)C1 ZINC001223977570 1033666518 /nfs/dbraw/zinc/66/65/18/1033666518.db2.gz KZQPYHGTFBBYFH-IDJNSLICSA-N -1 3 357.357 2.879 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](O/C(=N\[O-])c2ccccn2)CC(F)(F)C1 ZINC001223978764 1033669604 /nfs/dbraw/zinc/66/96/04/1033669604.db2.gz ZQROFYMMAWXWEX-PYXNCVKXSA-N -1 3 357.357 2.879 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)[n-]1 ZINC001225470644 1034268155 /nfs/dbraw/zinc/26/81/55/1034268155.db2.gz XWIVSLVGUMUDRB-BEFAXECRSA-N -1 3 353.422 2.636 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001277097527 1034517153 /nfs/dbraw/zinc/51/71/53/1034517153.db2.gz IXLKSNWXNYKYMB-CQSZACIVSA-N -1 3 350.409 2.965 20 30 FFEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1c(F)ccc([O-])c1F ZINC001277129850 1034695684 /nfs/dbraw/zinc/69/56/84/1034695684.db2.gz FJFVTPYSUGHHEG-LJQANCHMSA-N -1 3 363.408 2.931 20 30 FFEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001277131038 1034704981 /nfs/dbraw/zinc/70/49/81/1034704981.db2.gz TZJIJOHERWUYJI-AWEZNQCLSA-N -1 3 363.408 2.692 20 30 FFEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C2(C)CC2)no1 ZINC000834882167 1035469094 /nfs/dbraw/zinc/46/90/94/1035469094.db2.gz JZVAIJBTCWWCBQ-CYBMUJFWSA-N -1 3 374.466 2.947 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2 ZINC000835061012 1035495037 /nfs/dbraw/zinc/49/50/37/1035495037.db2.gz FLMDEBPDXINJRH-CQSZACIVSA-N -1 3 366.421 2.659 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C(C)C)n2)cc1OC ZINC000835064104 1035500158 /nfs/dbraw/zinc/50/01/58/1035500158.db2.gz BHNBMJBBYHTNGZ-CQSZACIVSA-N -1 3 370.409 2.751 20 30 FFEDHM CC[C@@H]1OC(C)=C(Oc2c([O-])cc(Br)cc2C(=O)OC)C1=O ZINC001229582003 1036758774 /nfs/dbraw/zinc/75/87/74/1036758774.db2.gz DKWDOVYLJTTXGZ-NSHDSACASA-N -1 3 371.183 2.930 20 30 FFEDHM C[C@H]1[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CN1C(=O)OC(C)(C)C ZINC001234512891 1037066623 /nfs/dbraw/zinc/06/66/23/1037066623.db2.gz GNIHGCBADVQEQV-GXFFZTMASA-N -1 3 356.382 2.594 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208511666 1038372846 /nfs/dbraw/zinc/37/28/46/1038372846.db2.gz DWBDXHRLQKXDHB-OWDMVUQNSA-N -1 3 358.486 2.598 20 30 FFEDHM C=CCC1(C(=O)N[C@@H]2CN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]2C)CCC1 ZINC001208517197 1038379335 /nfs/dbraw/zinc/37/93/35/1038379335.db2.gz BWKJHRPKBWNGNC-RHSMWYFYSA-N -1 3 370.497 2.743 20 30 FFEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1sccc1C(=O)[O-] ZINC001276569764 1038430742 /nfs/dbraw/zinc/43/07/42/1038430742.db2.gz TYIIZQHNDAPQNY-SFHVURJKSA-N -1 3 361.467 2.707 20 30 FFEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](C)CC ZINC001256527295 1038544700 /nfs/dbraw/zinc/54/47/00/1038544700.db2.gz KWURJGQTMFIKQH-CABZTGNLSA-N -1 3 351.877 2.824 20 30 FFEDHM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001276632624 1038755715 /nfs/dbraw/zinc/75/57/15/1038755715.db2.gz VBIIKRHXKFQADK-HUUCEWRRSA-N -1 3 352.356 2.610 20 30 FFEDHM COc1cccc(-c2nc(C[N-]S(=O)(=O)c3ccccc3C#N)co2)c1 ZINC001258334550 1039317749 /nfs/dbraw/zinc/31/77/49/1039317749.db2.gz BUVPIUAQYFATKR-UHFFFAOYSA-N -1 3 369.402 2.700 20 30 FFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1c(F)cc(C#N)cc1F)C(=O)C2 ZINC001258973138 1039630469 /nfs/dbraw/zinc/63/04/69/1039630469.db2.gz WABUXLSIFDKXFI-GTNSWQLSSA-N -1 3 368.405 2.974 20 30 FFEDHM CC(C)(C)c1cc2ncc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cn2n1 ZINC001260039031 1040370687 /nfs/dbraw/zinc/37/06/87/1040370687.db2.gz LAFDLXIZRBRFCG-UHFFFAOYSA-N -1 3 369.450 2.840 20 30 FFEDHM N#Cc1cnc(C[N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)s1 ZINC001260540794 1040645413 /nfs/dbraw/zinc/64/54/13/1040645413.db2.gz UKFNSPZBSRKZQC-UHFFFAOYSA-N -1 3 362.461 2.617 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]C2=C(Cl)C(=O)c3ccccc3C2=O)s1 ZINC001260686506 1040720984 /nfs/dbraw/zinc/72/09/84/1040720984.db2.gz ICPKPJIPWRKNOE-UHFFFAOYSA-N -1 3 367.835 2.864 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN2Cc2ccc(OC)c([O-])c2Cl)C1=O ZINC001276736040 1041973822 /nfs/dbraw/zinc/97/38/22/1041973822.db2.gz QMIOOXTUOLYNRQ-SFHVURJKSA-N -1 3 350.846 2.807 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC(F)F)C1CCC1 ZINC001262988243 1042012313 /nfs/dbraw/zinc/01/23/13/1042012313.db2.gz OHAFPIGYNSJMRX-UHFFFAOYSA-N -1 3 350.373 2.559 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC)c1[O-] ZINC001263057091 1042073171 /nfs/dbraw/zinc/07/31/71/1042073171.db2.gz SWCJVVOUCKQJIM-OAHLLOKOSA-N -1 3 353.426 2.518 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001263288448 1042223580 /nfs/dbraw/zinc/22/35/80/1042223580.db2.gz SKMDMTBXHKMZCY-VHSXEESVSA-N -1 3 353.883 2.623 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001263288448 1042223582 /nfs/dbraw/zinc/22/35/82/1042223582.db2.gz SKMDMTBXHKMZCY-VHSXEESVSA-N -1 3 353.883 2.623 20 30 FFEDHM O=C(NCCCc1c[n-][nH]c1=O)Nc1ccccc1C#Cc1ccccc1 ZINC001310394701 1043680533 /nfs/dbraw/zinc/68/05/33/1043680533.db2.gz ZLKDBKJGQYBWLY-GOSISDBHSA-N -1 3 360.417 2.720 20 30 FFEDHM COc1ccc(C(=O)[O-])cc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242390197 1044729217 /nfs/dbraw/zinc/72/92/17/1044729217.db2.gz YOYZVBYCUOUWNN-ZDUSSCGKSA-N -1 3 369.377 2.799 20 30 FFEDHM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001318932884 1044945318 /nfs/dbraw/zinc/94/53/18/1044945318.db2.gz GHJBMUNWEDWSMQ-UHFFFAOYSA-N -1 3 360.435 2.703 20 30 FFEDHM CC[C@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)N1CCc2ccccc2C1 ZINC001540748968 1070985982 /nfs/dbraw/zinc/98/59/82/1070985982.db2.gz NQTDFMOBDNLHRO-GOSISDBHSA-N -1 3 364.449 2.534 20 30 FFEDHM N#CCC1(COC(=O)c2ccc(I)c([O-])c2)CC1 ZINC001333217753 1048764806 /nfs/dbraw/zinc/76/48/06/1048764806.db2.gz ZFFQUIHZQVQZMZ-UHFFFAOYSA-N -1 3 357.147 2.847 20 30 FFEDHM CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc[n-]c1=O ZINC001292001853 1049050380 /nfs/dbraw/zinc/05/03/80/1049050380.db2.gz YHDSZLCKMZWKHW-PVAVHDDUSA-N -1 3 374.485 2.795 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1scnc1C ZINC001342521054 1051124105 /nfs/dbraw/zinc/12/41/05/1051124105.db2.gz DOOKFDPCTMSNCZ-UHFFFAOYSA-N -1 3 371.470 2.727 20 30 FFEDHM CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC[C@@H](C#N)C1 ZINC001340890148 1051220086 /nfs/dbraw/zinc/22/00/86/1051220086.db2.gz DVNHTHBFPCQGAI-AWEZNQCLSA-N -1 3 363.425 2.596 20 30 FFEDHM Cc1ccc2ncc(C(=O)N([O-])CCCCc3ccccc3)c(=O)n2c1 ZINC001306895053 1052215157 /nfs/dbraw/zinc/21/51/57/1052215157.db2.gz VFRHRDZSWUUOHP-UHFFFAOYSA-N -1 3 351.406 2.857 20 30 FFEDHM O=C(NCC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC001306899779 1052216051 /nfs/dbraw/zinc/21/60/51/1052216051.db2.gz BFWJNDRHCMUABV-UHFFFAOYSA-N -1 3 370.302 2.992 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(OCC2CC2)CC1 ZINC001343640687 1052351158 /nfs/dbraw/zinc/35/11/58/1052351158.db2.gz NFMVMNRWFBNYEU-UHFFFAOYSA-N -1 3 359.430 2.610 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2nnc(Cl)[n-]2)n1C[C@H]1CCCCO1 ZINC001344254269 1052660121 /nfs/dbraw/zinc/66/01/21/1052660121.db2.gz OITCJUWOERABQK-GFCCVEGCSA-N -1 3 365.869 2.688 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2n[n-]c(Cl)n2)n1C[C@H]1CCCCO1 ZINC001344254269 1052660123 /nfs/dbraw/zinc/66/01/23/1052660123.db2.gz OITCJUWOERABQK-GFCCVEGCSA-N -1 3 365.869 2.688 20 30 FFEDHM C#CCN(C)c1nnc(CCc2cccc(Cl)c2[O-])n1C[C@H]1CCCO1 ZINC001344559172 1052834703 /nfs/dbraw/zinc/83/47/03/1052834703.db2.gz SFPNZEFJAMOXSY-OAHLLOKOSA-N -1 3 374.872 2.671 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]2C(C)(C)C)ccc1F ZINC001336347782 1053940437 /nfs/dbraw/zinc/94/04/37/1053940437.db2.gz ASLQBFNRKBSNJH-OAHLLOKOSA-N -1 3 354.447 2.551 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3nc(C(C)(C)C)ccc3C#N)C2)n1 ZINC001337252008 1054597284 /nfs/dbraw/zinc/59/72/84/1054597284.db2.gz DPOWJZAFZLVRGC-CQSZACIVSA-N -1 3 352.442 2.746 20 30 FFEDHM C=CCO[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC001337709037 1054962539 /nfs/dbraw/zinc/96/25/39/1054962539.db2.gz WQWVAWJHEOXDME-GFCCVEGCSA-N -1 3 355.232 2.641 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001356153092 1055338147 /nfs/dbraw/zinc/33/81/47/1055338147.db2.gz UNCLNYZPYKEPTB-ACJLOTCBSA-N -1 3 367.844 2.681 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001356153092 1055338157 /nfs/dbraw/zinc/33/81/57/1055338157.db2.gz UNCLNYZPYKEPTB-ACJLOTCBSA-N -1 3 367.844 2.681 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCO[C@H](C)C1 ZINC001338635327 1055687385 /nfs/dbraw/zinc/68/73/85/1055687385.db2.gz HGAMGPURQQNAHN-LLVKDONJSA-N -1 3 357.439 2.672 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(CC)CCc1cccs1 ZINC001339607710 1056632338 /nfs/dbraw/zinc/63/23/38/1056632338.db2.gz XUHWZPSLCXCDGT-UHFFFAOYSA-N -1 3 356.455 2.757 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC2(CC2(F)F)CC1 ZINC001515032393 1059240665 /nfs/dbraw/zinc/24/06/65/1059240665.db2.gz VPCCZOHPZQTISG-UHFFFAOYSA-N -1 3 369.807 2.918 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC2(CC2(F)F)CC1 ZINC001515032393 1059240687 /nfs/dbraw/zinc/24/06/87/1059240687.db2.gz VPCCZOHPZQTISG-UHFFFAOYSA-N -1 3 369.807 2.918 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(CSC)CC1 ZINC001520576395 1059821517 /nfs/dbraw/zinc/82/15/17/1059821517.db2.gz UBKQQBRELGPEFT-UHFFFAOYSA-N -1 3 360.487 2.515 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N(CCN(C)C)c2ccccc2)cc1C#N ZINC001516842216 1060247327 /nfs/dbraw/zinc/24/73/27/1060247327.db2.gz LEWWVZDOWWJJTI-UHFFFAOYSA-N -1 3 356.451 2.589 20 30 FFEDHM C=C(C[N-]S(=O)(=O)c1cccc(Br)n1)c1ccccc1 ZINC001475363228 1061062954 /nfs/dbraw/zinc/06/29/54/1061062954.db2.gz AZQXPGYKFLDIJW-UHFFFAOYSA-N -1 3 353.241 2.836 20 30 FFEDHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(C#N)cn2)c(-c2ccccc2)s1 ZINC001463819711 1062280680 /nfs/dbraw/zinc/28/06/80/1062280680.db2.gz PYVNDFBEJKIZRN-UHFFFAOYSA-N -1 3 370.459 2.864 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cscc2Br)s1 ZINC001463913321 1062327391 /nfs/dbraw/zinc/32/73/91/1062327391.db2.gz RVCHUQKHXYMZAM-UHFFFAOYSA-N -1 3 363.283 2.922 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)cc1C#N ZINC001436090340 1062634565 /nfs/dbraw/zinc/63/45/65/1062634565.db2.gz VYYGUHKABRRHQU-UHFFFAOYSA-N -1 3 370.369 2.557 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]C(=O)c2ncc(C#N)cc2Cl)c1F ZINC001524254432 1062776062 /nfs/dbraw/zinc/77/60/62/1062776062.db2.gz WGZRVCQPWVXFKQ-UHFFFAOYSA-N -1 3 351.696 2.924 20 30 FFEDHM O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC001466629896 1063501746 /nfs/dbraw/zinc/50/17/46/1063501746.db2.gz CSPMYASVDKYOAP-MRVPVSSYSA-N -1 3 367.711 2.740 20 30 FFEDHM COc1ccc(/C=C(/C(=O)N[C@@H]2CCCN([O-])C2=O)c2cccs2)cc1 ZINC001468452961 1063988797 /nfs/dbraw/zinc/98/87/97/1063988797.db2.gz LUMDVZDCSVUTSY-ASNKMWSDSA-N -1 3 372.446 2.794 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472112229 1064940006 /nfs/dbraw/zinc/94/00/06/1064940006.db2.gz YNFKNBNZFBHCDB-JTQLQIEISA-N -1 3 351.332 2.732 20 30 FFEDHM C[C@@H]1CC[C@H](C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC001472618643 1065112468 /nfs/dbraw/zinc/11/24/68/1065112468.db2.gz BDWQTOXNMDHYDG-ILXRZTDVSA-N -1 3 358.438 2.963 20 30 FFEDHM O=C([C@H]1CN(Cc2ccccc2)CCO1)N([O-])Cc1ccccc1Cl ZINC001472620083 1065112707 /nfs/dbraw/zinc/11/27/07/1065112707.db2.gz NYWOWPSVTSHCKT-GOSISDBHSA-N -1 3 360.841 2.959 20 30 FFEDHM CCC(=O)c1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001576484182 1078234227 /nfs/dbraw/zinc/23/42/27/1078234227.db2.gz FAKJBHSYBVROAQ-INIZCTEOSA-N -1 3 374.404 2.780 20 30 FFEDHM C[C@H]1Cn2nc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)cc2CN1 ZINC001576873767 1078284359 /nfs/dbraw/zinc/28/43/59/1078284359.db2.gz TXIXQLRFDPTWIU-VIFPVBQESA-N -1 3 355.225 2.713 20 30 FFEDHM CCCCCCCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001577504646 1078370360 /nfs/dbraw/zinc/37/03/60/1078370360.db2.gz BXYQXBASVSSNKQ-UHFFFAOYSA-N -1 3 351.476 2.896 20 30 FFEDHM CCCCCCCCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001577504646 1078370362 /nfs/dbraw/zinc/37/03/62/1078370362.db2.gz BXYQXBASVSSNKQ-UHFFFAOYSA-N -1 3 351.476 2.896 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001580933022 1078894575 /nfs/dbraw/zinc/89/45/75/1078894575.db2.gz FJSFGAKUUKPQTJ-UHFFFAOYSA-N -1 3 361.340 2.920 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001580933022 1078894579 /nfs/dbraw/zinc/89/45/79/1078894579.db2.gz FJSFGAKUUKPQTJ-UHFFFAOYSA-N -1 3 361.340 2.920 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c3cccnc23)cc1-c1nnn[n-]1 ZINC001581873237 1079011345 /nfs/dbraw/zinc/01/13/45/1079011345.db2.gz UDUUEZNUSGHNNG-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c3cccnc23)cc1-c1nn[n-]n1 ZINC001581873237 1079011353 /nfs/dbraw/zinc/01/13/53/1079011353.db2.gz UDUUEZNUSGHNNG-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1cnccc1CN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001581883783 1079012515 /nfs/dbraw/zinc/01/25/15/1079012515.db2.gz WJHNTPFLSSKHBJ-AWEZNQCLSA-N -1 3 359.315 2.527 20 30 FFEDHM N#Cc1cnccc1CN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001581883783 1079012522 /nfs/dbraw/zinc/01/25/22/1079012522.db2.gz WJHNTPFLSSKHBJ-AWEZNQCLSA-N -1 3 359.315 2.527 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001573703195 1077767981 /nfs/dbraw/zinc/76/79/81/1077767981.db2.gz JYWQUYQVXCTMRP-MRUHUIDDSA-N -1 3 356.466 2.915 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3OCC#N)nc21 ZINC001586151881 1079561011 /nfs/dbraw/zinc/56/10/11/1079561011.db2.gz CSRSHFQFPOBFIU-UHFFFAOYSA-N -1 3 364.361 2.894 20 30 FFEDHM C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001588329476 1079985799 /nfs/dbraw/zinc/98/57/99/1079985799.db2.gz HBMJVSYOXTXJPN-RCCFBDPRSA-N -1 3 361.380 2.600 20 30 FFEDHM C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001588329476 1079985804 /nfs/dbraw/zinc/98/58/04/1079985804.db2.gz HBMJVSYOXTXJPN-RCCFBDPRSA-N -1 3 361.380 2.600 20 30 FFEDHM C#C[C@H]1CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588332572 1079987632 /nfs/dbraw/zinc/98/76/32/1079987632.db2.gz NEXPKDHZZFGDKP-VIFPVBQESA-N -1 3 350.209 2.659 20 30 FFEDHM C#C[C@H]1CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588332572 1079987635 /nfs/dbraw/zinc/98/76/35/1079987635.db2.gz NEXPKDHZZFGDKP-VIFPVBQESA-N -1 3 350.209 2.659 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001588345917 1079990205 /nfs/dbraw/zinc/99/02/05/1079990205.db2.gz VSMPTFQBNFQOMA-SJORKVTESA-N -1 3 374.452 2.527 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001588345917 1079990210 /nfs/dbraw/zinc/99/02/10/1079990210.db2.gz VSMPTFQBNFQOMA-SJORKVTESA-N -1 3 374.452 2.527 20 30 FFEDHM C#CCCCc1nnc(N2Cc3cccc(-c4nnn[n-]4)c3C2)n1CC(=C)C ZINC001588345583 1079990484 /nfs/dbraw/zinc/99/04/84/1079990484.db2.gz LSCBDKWNNZLWEA-UHFFFAOYSA-N -1 3 374.452 2.510 20 30 FFEDHM C#CCCCc1nnc(N2Cc3cccc(-c4nn[n-]n4)c3C2)n1CC(=C)C ZINC001588345583 1079990486 /nfs/dbraw/zinc/99/04/86/1079990486.db2.gz LSCBDKWNNZLWEA-UHFFFAOYSA-N -1 3 374.452 2.510 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001588351923 1079991758 /nfs/dbraw/zinc/99/17/58/1079991758.db2.gz POSCPVBTMJVSLB-UHFFFAOYSA-N -1 3 367.359 2.621 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001588351923 1079991764 /nfs/dbraw/zinc/99/17/64/1079991764.db2.gz POSCPVBTMJVSLB-UHFFFAOYSA-N -1 3 367.359 2.621 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@H](C)CC2 ZINC001588360135 1079992092 /nfs/dbraw/zinc/99/20/92/1079992092.db2.gz JHUGJRYGKSHVLZ-OUAUKWLOSA-N -1 3 359.455 2.591 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@H](C)CC2 ZINC001588360135 1079992096 /nfs/dbraw/zinc/99/20/96/1079992096.db2.gz JHUGJRYGKSHVLZ-OUAUKWLOSA-N -1 3 359.455 2.591 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588402762 1080010885 /nfs/dbraw/zinc/01/08/85/1080010885.db2.gz MRMJITPOLAFYRY-ZDUSSCGKSA-N -1 3 374.514 2.611 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001588402933 1080011166 /nfs/dbraw/zinc/01/11/66/1080011166.db2.gz QAQHWSAVJUJBOM-TZMCWYRMSA-N -1 3 372.448 2.549 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001588402933 1080011175 /nfs/dbraw/zinc/01/11/75/1080011175.db2.gz QAQHWSAVJUJBOM-TZMCWYRMSA-N -1 3 372.448 2.549 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588411799 1080015076 /nfs/dbraw/zinc/01/50/76/1080015076.db2.gz KGDMLGHRDRXLID-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588411799 1080015087 /nfs/dbraw/zinc/01/50/87/1080015087.db2.gz KGDMLGHRDRXLID-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588416705 1080020256 /nfs/dbraw/zinc/02/02/56/1080020256.db2.gz YPCLLICYWPHDDR-AWEZNQCLSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588416705 1080020267 /nfs/dbraw/zinc/02/02/67/1080020267.db2.gz YPCLLICYWPHDDR-AWEZNQCLSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588442251 1080028913 /nfs/dbraw/zinc/02/89/13/1080028913.db2.gz HLNVFMCNRBMJAY-AAEUAGOBSA-N -1 3 367.331 2.805 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588442251 1080028922 /nfs/dbraw/zinc/02/89/22/1080028922.db2.gz HLNVFMCNRBMJAY-AAEUAGOBSA-N -1 3 367.331 2.805 20 30 FFEDHM C=C(Cl)C[C@@H](Nc1nc(C)c(-c2nnn[n-]2)cc1Cl)C(=O)OCC ZINC001588448996 1080030528 /nfs/dbraw/zinc/03/05/28/1080030528.db2.gz CUVAWDKKBXXMJV-LLVKDONJSA-N -1 3 371.228 2.710 20 30 FFEDHM C=C(Cl)C[C@@H](Nc1nc(C)c(-c2nn[n-]n2)cc1Cl)C(=O)OCC ZINC001588448996 1080030538 /nfs/dbraw/zinc/03/05/38/1080030538.db2.gz CUVAWDKKBXXMJV-LLVKDONJSA-N -1 3 371.228 2.710 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CCCC)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588474870 1080043199 /nfs/dbraw/zinc/04/31/99/1080043199.db2.gz HLIDHYXOKHPYJC-CQSZACIVSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CCCC)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588474870 1080043209 /nfs/dbraw/zinc/04/32/09/1080043209.db2.gz HLIDHYXOKHPYJC-CQSZACIVSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588481580 1080043984 /nfs/dbraw/zinc/04/39/84/1080043984.db2.gz MCTGCXXZHRIHGT-UHFFFAOYSA-N -1 3 371.489 2.537 20 30 FFEDHM C=CC(C)(C)CC(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588481580 1080043995 /nfs/dbraw/zinc/04/39/95/1080043995.db2.gz MCTGCXXZHRIHGT-UHFFFAOYSA-N -1 3 371.489 2.537 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588483275 1080046072 /nfs/dbraw/zinc/04/60/72/1080046072.db2.gz DRRMEJJUYANGMT-LBPRGKRZSA-N -1 3 360.437 2.772 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588483275 1080046080 /nfs/dbraw/zinc/04/60/80/1080046080.db2.gz DRRMEJJUYANGMT-LBPRGKRZSA-N -1 3 360.437 2.772 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588491300 1080054550 /nfs/dbraw/zinc/05/45/50/1080054550.db2.gz FXKGEFMFMLQDIS-KZULUSFZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588491300 1080054554 /nfs/dbraw/zinc/05/45/54/1080054554.db2.gz FXKGEFMFMLQDIS-KZULUSFZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588494268 1080058795 /nfs/dbraw/zinc/05/87/95/1080058795.db2.gz QNEZAZDNUKLTHQ-KSMMKXTCSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588494268 1080058803 /nfs/dbraw/zinc/05/88/03/1080058803.db2.gz QNEZAZDNUKLTHQ-KSMMKXTCSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588494572 1080058871 /nfs/dbraw/zinc/05/88/71/1080058871.db2.gz UVVGJYQRPQKUFL-YJYMSZOUSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588494572 1080058879 /nfs/dbraw/zinc/05/88/79/1080058879.db2.gz UVVGJYQRPQKUFL-YJYMSZOUSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001588519197 1080071629 /nfs/dbraw/zinc/07/16/29/1080071629.db2.gz VBWOPFAOHHTWQL-HNNXBMFYSA-N -1 3 371.489 2.537 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001588519197 1080071637 /nfs/dbraw/zinc/07/16/37/1080071637.db2.gz VBWOPFAOHHTWQL-HNNXBMFYSA-N -1 3 371.489 2.537 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588521975 1080075331 /nfs/dbraw/zinc/07/53/31/1080075331.db2.gz XFCUZAPFAGFQMV-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588521975 1080075341 /nfs/dbraw/zinc/07/53/41/1080075341.db2.gz XFCUZAPFAGFQMV-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001588523070 1080077090 /nfs/dbraw/zinc/07/70/90/1080077090.db2.gz IGKSWUVUCXOWLR-ZBFHGGJFSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001588523070 1080077097 /nfs/dbraw/zinc/07/70/97/1080077097.db2.gz IGKSWUVUCXOWLR-ZBFHGGJFSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001588527113 1080078563 /nfs/dbraw/zinc/07/85/63/1080078563.db2.gz BULZYRVKKZQWHE-OAHLLOKOSA-N -1 3 372.498 2.850 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001588527113 1080078573 /nfs/dbraw/zinc/07/85/73/1080078573.db2.gz BULZYRVKKZQWHE-OAHLLOKOSA-N -1 3 372.498 2.850 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588532568 1080081333 /nfs/dbraw/zinc/08/13/33/1080081333.db2.gz ZSEFCJMXAPHMSN-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588532568 1080081342 /nfs/dbraw/zinc/08/13/42/1080081342.db2.gz ZSEFCJMXAPHMSN-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588532454 1080081518 /nfs/dbraw/zinc/08/15/18/1080081518.db2.gz WOSSCPKBYLLMBU-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588532454 1080081529 /nfs/dbraw/zinc/08/15/29/1080081529.db2.gz WOSSCPKBYLLMBU-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CNc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001588556091 1080094397 /nfs/dbraw/zinc/09/43/97/1080094397.db2.gz COBXCOQIJWCOAO-GFCCVEGCSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CNc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001588556091 1080094404 /nfs/dbraw/zinc/09/44/04/1080094404.db2.gz COBXCOQIJWCOAO-GFCCVEGCSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588559876 1080096737 /nfs/dbraw/zinc/09/67/37/1080096737.db2.gz LPMKXNFSILYYSR-AWEZNQCLSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588559876 1080096740 /nfs/dbraw/zinc/09/67/40/1080096740.db2.gz LPMKXNFSILYYSR-AWEZNQCLSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2-c2nnn[n-]2)C1 ZINC001588564871 1080100134 /nfs/dbraw/zinc/10/01/34/1080100134.db2.gz SSMZBDBZYXNLHJ-CYBMUJFWSA-N -1 3 355.446 2.671 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2-c2nn[n-]n2)C1 ZINC001588564871 1080100141 /nfs/dbraw/zinc/10/01/41/1080100141.db2.gz SSMZBDBZYXNLHJ-CYBMUJFWSA-N -1 3 355.446 2.671 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588575938 1080105181 /nfs/dbraw/zinc/10/51/81/1080105181.db2.gz DULPXLQWTVBZEK-MRXNPFEDSA-N -1 3 352.442 2.658 20 30 FFEDHM C=CCC[C@@H](CO)NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588577930 1080106559 /nfs/dbraw/zinc/10/65/59/1080106559.db2.gz RHJADDXWMQZRES-JTQLQIEISA-N -1 3 364.475 2.674 20 30 FFEDHM C=CCC[C@@H](CO)NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588577930 1080106562 /nfs/dbraw/zinc/10/65/62/1080106562.db2.gz RHJADDXWMQZRES-JTQLQIEISA-N -1 3 364.475 2.674 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588588291 1080110944 /nfs/dbraw/zinc/11/09/44/1080110944.db2.gz JKZLOKLBRKRVCK-CQSZACIVSA-N -1 3 372.448 2.789 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588588291 1080110946 /nfs/dbraw/zinc/11/09/46/1080110946.db2.gz JKZLOKLBRKRVCK-CQSZACIVSA-N -1 3 372.448 2.789 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588588332 1080111323 /nfs/dbraw/zinc/11/13/23/1080111323.db2.gz KVNRSEOLWDBDPS-XJKSGUPXSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588588332 1080111326 /nfs/dbraw/zinc/11/13/26/1080111326.db2.gz KVNRSEOLWDBDPS-XJKSGUPXSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588600795 1080119437 /nfs/dbraw/zinc/11/94/37/1080119437.db2.gz QHPBTMGSPQRRID-UHFFFAOYSA-N -1 3 350.382 2.750 20 30 FFEDHM C=CCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588600795 1080119443 /nfs/dbraw/zinc/11/94/43/1080119443.db2.gz QHPBTMGSPQRRID-UHFFFAOYSA-N -1 3 350.382 2.750 20 30 FFEDHM C=CCCSCCNC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588618040 1080124042 /nfs/dbraw/zinc/12/40/42/1080124042.db2.gz PCLRKGMIUXOQGI-ZDUSSCGKSA-N -1 3 360.487 2.878 20 30 FFEDHM C=CCCSCCNC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588618040 1080124047 /nfs/dbraw/zinc/12/40/47/1080124047.db2.gz PCLRKGMIUXOQGI-ZDUSSCGKSA-N -1 3 360.487 2.878 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](O)CC[C@H](C)CC ZINC001588639773 1080132877 /nfs/dbraw/zinc/13/28/77/1080132877.db2.gz GLCUZCLSRKXHLW-CRAIPNDOSA-N -1 3 371.485 2.959 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](O)CC[C@H](C)CC ZINC001588639773 1080132884 /nfs/dbraw/zinc/13/28/84/1080132884.db2.gz GLCUZCLSRKXHLW-CRAIPNDOSA-N -1 3 371.485 2.959 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(C)s1 ZINC001588640239 1080133552 /nfs/dbraw/zinc/13/35/52/1080133552.db2.gz NXDXGNGZXMMFKJ-UHFFFAOYSA-N -1 3 353.451 2.994 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(C)s1 ZINC001588640239 1080133555 /nfs/dbraw/zinc/13/35/55/1080133555.db2.gz NXDXGNGZXMMFKJ-UHFFFAOYSA-N -1 3 353.451 2.994 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cccnc1 ZINC001588641442 1080134881 /nfs/dbraw/zinc/13/48/81/1080134881.db2.gz FKMNFQAKEGWFOI-CQSZACIVSA-N -1 3 363.425 2.721 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cccnc1 ZINC001588641442 1080134885 /nfs/dbraw/zinc/13/48/85/1080134885.db2.gz FKMNFQAKEGWFOI-CQSZACIVSA-N -1 3 363.425 2.721 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc2cc[nH]c2c1 ZINC001588648215 1080137893 /nfs/dbraw/zinc/13/78/93/1080137893.db2.gz LKTMWFAAYVSVEP-UHFFFAOYSA-N -1 3 359.393 2.571 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc2cc[nH]c2c1 ZINC001588648215 1080137898 /nfs/dbraw/zinc/13/78/98/1080137898.db2.gz LKTMWFAAYVSVEP-UHFFFAOYSA-N -1 3 359.393 2.571 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC001588648416 1080138113 /nfs/dbraw/zinc/13/81/13/1080138113.db2.gz OTIZFEGOMSBXOK-UHFFFAOYSA-N -1 3 370.394 2.665 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC001588648416 1080138117 /nfs/dbraw/zinc/13/81/17/1080138117.db2.gz OTIZFEGOMSBXOK-UHFFFAOYSA-N -1 3 370.394 2.665 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nccc2occc21 ZINC001588647642 1080138232 /nfs/dbraw/zinc/13/82/32/1080138232.db2.gz APYGFFMGLWRUGU-UHFFFAOYSA-N -1 3 360.377 2.836 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nccc2occc21 ZINC001588647642 1080138238 /nfs/dbraw/zinc/13/82/38/1080138238.db2.gz APYGFFMGLWRUGU-UHFFFAOYSA-N -1 3 360.377 2.836 20 30 FFEDHM C=CCN(Cc1nc(Br)c[nH]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652323 1080142264 /nfs/dbraw/zinc/14/22/64/1080142264.db2.gz SUGYTAUKOITDHT-UHFFFAOYSA-N -1 3 374.246 2.541 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CC(C)C ZINC001588695609 1080159536 /nfs/dbraw/zinc/15/95/36/1080159536.db2.gz GCVLQIKIWWERRM-UHFFFAOYSA-N -1 3 352.446 2.794 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CC(C)C ZINC001588695609 1080159541 /nfs/dbraw/zinc/15/95/41/1080159541.db2.gz GCVLQIKIWWERRM-UHFFFAOYSA-N -1 3 352.446 2.794 20 30 FFEDHM C=CCn1c(C2CC=CC2)nnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588703712 1080162492 /nfs/dbraw/zinc/16/24/92/1080162492.db2.gz SKNXSESKKVIMDA-UHFFFAOYSA-N -1 3 360.425 2.598 20 30 FFEDHM C=CCn1c(C2CC=CC2)nnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588703712 1080162496 /nfs/dbraw/zinc/16/24/96/1080162496.db2.gz SKNXSESKKVIMDA-UHFFFAOYSA-N -1 3 360.425 2.598 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC001588726171 1080171618 /nfs/dbraw/zinc/17/16/18/1080171618.db2.gz VZSLQAKQPRYQHT-OCCSQVGLSA-N -1 3 368.422 2.520 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC001588726171 1080171623 /nfs/dbraw/zinc/17/16/23/1080171623.db2.gz VZSLQAKQPRYQHT-OCCSQVGLSA-N -1 3 368.422 2.520 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588936269 1080272503 /nfs/dbraw/zinc/27/25/03/1080272503.db2.gz FZJQBKLLHQFPNO-LLVKDONJSA-N -1 3 373.376 2.891 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588936269 1080272513 /nfs/dbraw/zinc/27/25/13/1080272513.db2.gz FZJQBKLLHQFPNO-LLVKDONJSA-N -1 3 373.376 2.891 20 30 FFEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC001589036054 1080317274 /nfs/dbraw/zinc/31/72/74/1080317274.db2.gz LUHLNBDVJFIWIS-UHFFFAOYSA-N -1 3 355.373 2.701 20 30 FFEDHM CC(C)CCC[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589596363 1080627651 /nfs/dbraw/zinc/62/76/51/1080627651.db2.gz SEAFTOHWHNMELW-WMLDXEAASA-N -1 3 354.458 2.880 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cscc1-c1nnn[n-]1 ZINC001589754072 1080705234 /nfs/dbraw/zinc/70/52/34/1080705234.db2.gz FQNGUDRRHLKWTL-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cscc1-c1nn[n-]n1 ZINC001589754072 1080705236 /nfs/dbraw/zinc/70/52/36/1080705236.db2.gz FQNGUDRRHLKWTL-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM C[C@@H](CCC(C)(C)C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589804855 1080761036 /nfs/dbraw/zinc/76/10/36/1080761036.db2.gz DHDZJOFLYNFUHN-BBRMVZONSA-N -1 3 354.458 2.880 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589936396 1080880230 /nfs/dbraw/zinc/88/02/30/1080880230.db2.gz AUEAPWHEFQLVDV-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(F)cc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589936396 1080880237 /nfs/dbraw/zinc/88/02/37/1080880237.db2.gz AUEAPWHEFQLVDV-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C=Cc1ccccc1C#N ZINC001590043739 1080970653 /nfs/dbraw/zinc/97/06/53/1080970653.db2.gz LZQQYEHBLUTYTF-VNDWYCCKSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C=Cc1ccccc1C#N ZINC001590043739 1080970658 /nfs/dbraw/zinc/97/06/58/1080970658.db2.gz LZQQYEHBLUTYTF-VNDWYCCKSA-N -1 3 358.405 2.971 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCCOc1ccccc1 ZINC000106147409 250244375 /nfs/dbraw/zinc/24/43/75/250244375.db2.gz KWDGXBDDTNTAIA-UHFFFAOYSA-N -1 3 367.449 2.724 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NN1CCC(C(C)(C)C)CC1 ZINC000277347044 256187771 /nfs/dbraw/zinc/18/77/71/256187771.db2.gz DMZLGIMRUAFTMQ-UHFFFAOYSA-N -1 3 358.486 2.998 20 30 FFEDHM N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000302033625 258083422 /nfs/dbraw/zinc/08/34/22/258083422.db2.gz DFPAPHMTPGQYHO-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000375096741 512161495 /nfs/dbraw/zinc/16/14/95/512161495.db2.gz LDEBKFVOGAZHJV-KRWDZBQOSA-N -1 3 367.405 2.663 20 30 FFEDHM COC(=O)c1[n-]c(=NC2CCC(Oc3ccc(C#N)cn3)CC2)sc1C ZINC000366876489 512229677 /nfs/dbraw/zinc/22/96/77/512229677.db2.gz YHHHCJCMMSGXJV-UHFFFAOYSA-N -1 3 372.450 2.729 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1cccc2cccnc21 ZINC000039540076 506451971 /nfs/dbraw/zinc/45/19/71/506451971.db2.gz ZIJDHOFMUDPGON-UHFFFAOYSA-N -1 3 374.444 2.703 20 30 FFEDHM N#Cc1nncn1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000054746880 506612220 /nfs/dbraw/zinc/61/22/20/506612220.db2.gz XDXQCQXRPRJLKS-UHFFFAOYSA-N -1 3 368.809 2.816 20 30 FFEDHM COC(=O)Nc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000055514750 506767258 /nfs/dbraw/zinc/76/72/58/506767258.db2.gz IGBPZQHSTVAVDX-UHFFFAOYSA-N -1 3 368.393 2.613 20 30 FFEDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000015361931 507036341 /nfs/dbraw/zinc/03/63/41/507036341.db2.gz CSAFDYUKQDAFAP-KRWDZBQOSA-N -1 3 372.446 2.920 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000068081839 507103234 /nfs/dbraw/zinc/10/32/34/507103234.db2.gz PHBRGQUZXDSCSB-LLVKDONJSA-N -1 3 371.890 2.648 20 30 FFEDHM CCOc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000018074146 507135304 /nfs/dbraw/zinc/13/53/04/507135304.db2.gz QRJXNXZRSOIRBI-UHFFFAOYSA-N -1 3 367.449 2.853 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)C2CC2)C2CC2)ccc1F ZINC000047449436 507336233 /nfs/dbraw/zinc/33/62/33/507336233.db2.gz SYTBRPAIWFQGIZ-GFCCVEGCSA-N -1 3 366.458 2.693 20 30 FFEDHM Cc1ccc([O-])c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000029047178 507755531 /nfs/dbraw/zinc/75/55/31/507755531.db2.gz PVVWOFLOVUSRRX-SFHVURJKSA-N -1 3 353.397 2.862 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000029542282 507782679 /nfs/dbraw/zinc/78/26/79/507782679.db2.gz LHUPMTLCOQPJJS-UHFFFAOYSA-N -1 3 350.465 2.948 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000089495699 507843655 /nfs/dbraw/zinc/84/36/55/507843655.db2.gz ZTYCHAYUHLEWQS-UHFFFAOYSA-N -1 3 358.435 2.984 20 30 FFEDHM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccco1 ZINC000108399677 507892304 /nfs/dbraw/zinc/89/23/04/507892304.db2.gz TYHLFVNSBHRYCK-KRWDZBQOSA-N -1 3 362.451 2.985 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)CNC(=O)c2cccc(F)c2)n[n-]1 ZINC000097254158 508221993 /nfs/dbraw/zinc/22/19/93/508221993.db2.gz KBWZLXVKVHNBKW-UHFFFAOYSA-N -1 3 369.356 2.637 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C ZINC000114673434 508335650 /nfs/dbraw/zinc/33/56/50/508335650.db2.gz RVYLNIKSUCFYBL-UHFFFAOYSA-N -1 3 371.462 2.813 20 30 FFEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c1 ZINC000121741658 508407689 /nfs/dbraw/zinc/40/76/89/508407689.db2.gz IUNSHYYYSXXGRW-LBPRGKRZSA-N -1 3 361.261 2.674 20 30 FFEDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000156442996 508421698 /nfs/dbraw/zinc/42/16/98/508421698.db2.gz XPSVHKVIBJYAOF-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000127277980 508425499 /nfs/dbraw/zinc/42/54/99/508425499.db2.gz YCFBZEQBVNQDMW-UHFFFAOYSA-N -1 3 367.224 2.505 20 30 FFEDHM COc1ccc(-c2nc([N-]C(=O)c3sccc3C#N)n[nH]2)c(OC)c1 ZINC000127844098 508508902 /nfs/dbraw/zinc/50/89/02/508508902.db2.gz HCAZGWWDBNFECW-UHFFFAOYSA-N -1 3 355.379 2.674 20 30 FFEDHM C=C(C)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000153067627 508544589 /nfs/dbraw/zinc/54/45/89/508544589.db2.gz SUCUDRWVFATTOS-UHFFFAOYSA-N -1 3 356.494 2.594 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000157327929 508552687 /nfs/dbraw/zinc/55/26/87/508552687.db2.gz XQSWQRCCDXECDD-CQSZACIVSA-N -1 3 361.354 2.571 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)Nc1ccccc1 ZINC000157492184 508574075 /nfs/dbraw/zinc/57/40/75/508574075.db2.gz LKZXPOYYUJGLGE-NSHDSACASA-N -1 3 363.826 2.517 20 30 FFEDHM CC[C@H](CC#N)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000157509981 508576319 /nfs/dbraw/zinc/57/63/19/508576319.db2.gz OEHCWVCTCIBSTR-LLVKDONJSA-N -1 3 370.450 2.716 20 30 FFEDHM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4n3C)c12 ZINC000122887604 508601961 /nfs/dbraw/zinc/60/19/61/508601961.db2.gz WYWPGJZKZDYFEX-AWEZNQCLSA-N -1 3 358.405 2.962 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c(F)c1 ZINC000153671847 508622735 /nfs/dbraw/zinc/62/27/35/508622735.db2.gz BRBSTFXKHKQPBV-UHFFFAOYSA-N -1 3 363.395 2.892 20 30 FFEDHM COc1ccc([C@@H](C#N)N2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000123516994 508698902 /nfs/dbraw/zinc/69/89/02/508698902.db2.gz IZSLRTWYXHNDSP-LJQANCHMSA-N -1 3 365.433 2.732 20 30 FFEDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCC1 ZINC000125051122 508923420 /nfs/dbraw/zinc/92/34/20/508923420.db2.gz WGJFFCAPACCODT-UHFFFAOYSA-N -1 3 354.447 2.963 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)c(F)c1 ZINC000151121791 508961306 /nfs/dbraw/zinc/96/13/06/508961306.db2.gz HJLVSNQMYUQYDS-UHFFFAOYSA-N -1 3 362.426 2.973 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)c(F)c1 ZINC000151132074 508963554 /nfs/dbraw/zinc/96/35/54/508963554.db2.gz ZQVICOWWLUQOQU-UHFFFAOYSA-N -1 3 365.455 2.554 20 30 FFEDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cs1 ZINC000151138120 508964540 /nfs/dbraw/zinc/96/45/40/508964540.db2.gz AVGHMKQSQXXSMD-UHFFFAOYSA-N -1 3 353.444 2.798 20 30 FFEDHM O=C(c1cccc([O-])c1)N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000125408455 508978595 /nfs/dbraw/zinc/97/85/95/508978595.db2.gz XQMHYPFOHHLHNT-UHFFFAOYSA-N -1 3 354.837 2.855 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)s1 ZINC000375635124 512430866 /nfs/dbraw/zinc/43/08/66/512430866.db2.gz OELWDZJAXWHQGL-UHFFFAOYSA-N -1 3 362.461 2.617 20 30 FFEDHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000125714839 509020481 /nfs/dbraw/zinc/02/04/81/509020481.db2.gz DVVIMTRFDISQRQ-JSGCOSHPSA-N -1 3 369.468 2.809 20 30 FFEDHM N#CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000132603182 509051326 /nfs/dbraw/zinc/05/13/26/509051326.db2.gz KXQIAQKAHSQJMC-UHFFFAOYSA-N -1 3 351.334 2.618 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162350479 509204937 /nfs/dbraw/zinc/20/49/37/509204937.db2.gz FAWSAPFPJRDIHY-LLVKDONJSA-N -1 3 365.333 2.830 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000185505681 509212179 /nfs/dbraw/zinc/21/21/79/509212179.db2.gz CXKNIXPMQJVXGA-MAZHCROVSA-N -1 3 366.870 2.838 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1nc(C)cs1 ZINC000185600616 509259131 /nfs/dbraw/zinc/25/91/31/509259131.db2.gz KTZNFWFKMFVWFN-GFCCVEGCSA-N -1 3 351.453 2.761 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1nc(C)cs1 ZINC000185600600 509259646 /nfs/dbraw/zinc/25/96/46/509259646.db2.gz KTZNFWFKMFVWFN-LBPRGKRZSA-N -1 3 351.453 2.761 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H](NCc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000192243775 509422642 /nfs/dbraw/zinc/42/26/42/509422642.db2.gz BGORIVJZVWCBNR-QGZVFWFLSA-N -1 3 355.825 2.808 20 30 FFEDHM C=C1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3CCC)CC1 ZINC000264442044 509528891 /nfs/dbraw/zinc/52/88/91/509528891.db2.gz CAJMNZKEVJBXAK-UHFFFAOYSA-N -1 3 368.437 2.577 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000179777676 509618006 /nfs/dbraw/zinc/61/80/06/509618006.db2.gz XJJZOMJURIHBQS-CYBMUJFWSA-N -1 3 372.469 2.703 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cc([O-])ccc3Br)CC2)nc1 ZINC000179988200 509701204 /nfs/dbraw/zinc/70/12/04/509701204.db2.gz FKUNMUOHTXIAJN-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM CC(C)[C@H](C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000264829540 509728638 /nfs/dbraw/zinc/72/86/38/509728638.db2.gz ZCRVTNKKZDTJIB-ZDUSSCGKSA-N -1 3 371.890 2.695 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOc2ccccc2)c(Cl)c1 ZINC000183435010 509787598 /nfs/dbraw/zinc/78/75/98/509787598.db2.gz NCUFHFGXPWNSGW-UHFFFAOYSA-N -1 3 350.827 2.959 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000180174621 509795315 /nfs/dbraw/zinc/79/53/15/509795315.db2.gz RLUPNAVEXOMPCN-DOMZBBRYSA-N -1 3 372.899 2.545 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CCCCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000174042453 509922071 /nfs/dbraw/zinc/92/20/71/509922071.db2.gz RPYPMADZCQIGBC-NSHDSACASA-N -1 3 352.391 2.550 20 30 FFEDHM CSCc1cccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000187651952 510372153 /nfs/dbraw/zinc/37/21/53/510372153.db2.gz DUNDTYNWXUECKB-UHFFFAOYSA-N -1 3 369.490 2.975 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccccc1OC(F)F ZINC000190913106 510411340 /nfs/dbraw/zinc/41/13/40/510411340.db2.gz ILPFAERVBVBAGB-UHFFFAOYSA-N -1 3 370.352 2.820 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269609490 510483139 /nfs/dbraw/zinc/48/31/39/510483139.db2.gz LIQKPSXUTTVWFU-UHFFFAOYSA-N -1 3 360.417 2.886 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(N2CCCCC2)nc1 ZINC000269638590 510492740 /nfs/dbraw/zinc/49/27/40/510492740.db2.gz CKGVSOHHHOUKKS-UHFFFAOYSA-N -1 3 374.441 2.561 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c1 ZINC000185265573 510780294 /nfs/dbraw/zinc/78/02/94/510780294.db2.gz IXGYCSBUPRDBJC-ZDUSSCGKSA-N -1 3 354.859 2.982 20 30 FFEDHM C=CCCN(C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000276127677 510929055 /nfs/dbraw/zinc/92/90/55/510929055.db2.gz CINDXCIHDRPOEU-UHFFFAOYSA-N -1 3 372.469 2.925 20 30 FFEDHM CC(C)(C)[N-]C(=S)C(C(=O)c1nccs1)[n+]1cc([O-])ccc1F ZINC000278180290 510983463 /nfs/dbraw/zinc/98/34/63/510983463.db2.gz DZWLOHZKXDSYDK-UHFFFAOYSA-O -1 3 354.452 2.602 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000270972849 511043722 /nfs/dbraw/zinc/04/37/22/511043722.db2.gz UCWBHLSLDHYBCN-RDJZCZTQSA-N -1 3 355.438 2.569 20 30 FFEDHM CC[C@H](C#N)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000331405963 511064114 /nfs/dbraw/zinc/06/41/14/511064114.db2.gz FDROFYXMYDOIMS-GFCCVEGCSA-N -1 3 369.512 2.781 20 30 FFEDHM COC(=O)CCCO[N-]C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000288936407 511090369 /nfs/dbraw/zinc/09/03/69/511090369.db2.gz YDZODOKXVRELNT-LBPRGKRZSA-N -1 3 351.428 2.945 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@](C)(CC)OC)no2)ccc1F ZINC000290146391 511129388 /nfs/dbraw/zinc/12/93/88/511129388.db2.gz PHMCXCBLBFBKQE-MRXNPFEDSA-N -1 3 369.418 2.612 20 30 FFEDHM C=C(CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000291408372 511185961 /nfs/dbraw/zinc/18/59/61/511185961.db2.gz YRKNCBZAKRXSPB-AWEZNQCLSA-N -1 3 369.387 2.800 20 30 FFEDHM C=CCN(C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC)C1CC1 ZINC000271446600 511207486 /nfs/dbraw/zinc/20/74/86/511207486.db2.gz UWMFVJRHMXYKOW-UHFFFAOYSA-N -1 3 368.437 2.575 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1nc(-c2cccc(F)c2)no1 ZINC000295278243 511346502 /nfs/dbraw/zinc/34/65/02/511346502.db2.gz SOPLZOIAPAJHNR-NSHDSACASA-N -1 3 366.418 2.796 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295439263 511405640 /nfs/dbraw/zinc/40/56/40/511405640.db2.gz VNINQPAHIGPKAZ-LBPRGKRZSA-N -1 3 368.393 2.994 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc(N3CCOC3=O)c2)c1[O-] ZINC000299275378 511574241 /nfs/dbraw/zinc/57/42/41/511574241.db2.gz QXWKJKVCYKOIDB-FZTAQKCPSA-N -1 3 355.394 2.725 20 30 FFEDHM C#CCN1CCC(C(=O)Nc2c(C)c(Br)ccc2[O-])CC1 ZINC000296247142 511670586 /nfs/dbraw/zinc/67/05/86/511670586.db2.gz XKYLLBGVHZNDAZ-UHFFFAOYSA-N -1 3 351.244 2.747 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1nc(Cc2ccccc2)no1 ZINC000296315236 511695178 /nfs/dbraw/zinc/69/51/78/511695178.db2.gz OKFRVMJMOQHPHK-ZDUSSCGKSA-N -1 3 362.455 2.581 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(I)c1 ZINC000304203207 511756496 /nfs/dbraw/zinc/75/64/96/511756496.db2.gz NYFGLYVSJNAWRK-SNVBAGLBSA-N -1 3 364.208 2.644 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(I)ccc1C ZINC000304180782 511757162 /nfs/dbraw/zinc/75/71/62/511757162.db2.gz AYWVITLTJDLYGA-JTQLQIEISA-N -1 3 364.208 2.644 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000324540999 511837958 /nfs/dbraw/zinc/83/79/58/511837958.db2.gz ALSJWMXDYDNPDU-UHFFFAOYSA-N -1 3 369.761 2.737 20 30 FFEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000326468668 511858444 /nfs/dbraw/zinc/85/84/44/511858444.db2.gz CTLJDHQWIVXQKV-MRXNPFEDSA-N -1 3 363.508 2.981 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cs1 ZINC000274643488 511898115 /nfs/dbraw/zinc/89/81/15/511898115.db2.gz BGTXBNRLEXOZMJ-VIFPVBQESA-N -1 3 371.871 2.854 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000281677516 511928333 /nfs/dbraw/zinc/92/83/33/511928333.db2.gz KHNJBMZLDRODIW-UHFFFAOYSA-N -1 3 364.405 2.584 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351151790 511966747 /nfs/dbraw/zinc/96/67/47/511966747.db2.gz VKMRDDMFZMKNAK-UHFFFAOYSA-N -1 3 355.310 2.612 20 30 FFEDHM C[C@]1(C[C@H]2CCCN2C(=O)NC2CC(C(F)(F)F)C2)NC(=O)[N-]C1=O ZINC000329704814 512088463 /nfs/dbraw/zinc/08/84/63/512088463.db2.gz JQQZOOSNZROAJF-YJYFASPASA-N -1 3 362.352 2.739 20 30 FFEDHM CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000369947323 512695668 /nfs/dbraw/zinc/69/56/68/512695668.db2.gz GCVRBNBEQNGTHH-HIFRSBDPSA-N -1 3 364.496 2.548 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000372931468 513106861 /nfs/dbraw/zinc/10/68/61/513106861.db2.gz MDOWDCUOYCGKLY-KBXCAEBGSA-N -1 3 360.410 2.753 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000434114656 513241792 /nfs/dbraw/zinc/24/17/92/513241792.db2.gz NNHFXTHTPXNPPN-NSHDSACASA-N -1 3 357.439 2.752 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421682310 513368136 /nfs/dbraw/zinc/36/81/36/513368136.db2.gz MSBKFQVEKYATFS-QMMMGPOBSA-N -1 3 370.169 2.550 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@H]3C)nn1 ZINC000415730629 513401560 /nfs/dbraw/zinc/40/15/60/513401560.db2.gz DPXNYCOSZHRHMK-GHMZBOCLSA-N -1 3 359.455 2.796 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)C)C3)nn1 ZINC000415740089 513404756 /nfs/dbraw/zinc/40/47/56/513404756.db2.gz HZMOXBPNVXLFIL-GFCCVEGCSA-N -1 3 373.482 2.871 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)CCCC1 ZINC000429879706 513488245 /nfs/dbraw/zinc/48/82/45/513488245.db2.gz OEPXWAKCDYJTLI-UHFFFAOYSA-N -1 3 350.337 2.746 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432197 513583798 /nfs/dbraw/zinc/58/37/98/513583798.db2.gz HPZVTJHRZIZNAC-MEBBXXQBSA-N -1 3 354.428 2.813 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)s1 ZINC000435432594 513584646 /nfs/dbraw/zinc/58/46/46/513584646.db2.gz JKAQJVPVFPJVKL-ZDUSSCGKSA-N -1 3 352.412 2.951 20 30 FFEDHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435433366 513584919 /nfs/dbraw/zinc/58/49/19/513584919.db2.gz RUSUPGRYGCDOKU-DZGCQCFKSA-N -1 3 361.492 2.734 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000435442111 513589569 /nfs/dbraw/zinc/58/95/69/513589569.db2.gz GRSMSWXLTYXQBN-UHFFFAOYSA-N -1 3 370.377 2.969 20 30 FFEDHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435440427 513589587 /nfs/dbraw/zinc/58/95/87/513589587.db2.gz WPROSAIRTUHMTH-OAHLLOKOSA-N -1 3 364.492 2.936 20 30 FFEDHM Cc1[n-][nH]c(=NC(=O)c2cccc(CC#N)c2)c1-c1ccc2c(c1)OCCO2 ZINC000435711870 513665175 /nfs/dbraw/zinc/66/51/75/513665175.db2.gz UROXTXOGXABULC-UHFFFAOYSA-N -1 3 374.400 2.897 20 30 FFEDHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(F)c(OC(F)F)cc1F)C(F)(F)F ZINC000425794757 513750870 /nfs/dbraw/zinc/75/08/70/513750870.db2.gz ZUQJBUMVLVHAGB-SCSAIBSYSA-N -1 3 362.201 2.572 20 30 FFEDHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416408505 513756391 /nfs/dbraw/zinc/75/63/91/513756391.db2.gz QLPFKXGNINDAED-OLZOCXBDSA-N -1 3 373.272 2.557 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000436149308 513776109 /nfs/dbraw/zinc/77/61/09/513776109.db2.gz CQLVQMBVJFYVAZ-ROUUACIJSA-N -1 3 374.400 2.874 20 30 FFEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000451528930 513811367 /nfs/dbraw/zinc/81/13/67/513811367.db2.gz CLKJLEOAURXTRZ-UHFFFAOYSA-N -1 3 350.337 2.849 20 30 FFEDHM COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1[O-] ZINC000442965293 513829352 /nfs/dbraw/zinc/82/93/52/513829352.db2.gz IIHYWTLPCFGGAO-OAHLLOKOSA-N -1 3 369.396 2.810 20 30 FFEDHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccc1 ZINC000443022130 513845012 /nfs/dbraw/zinc/84/50/12/513845012.db2.gz OYZDEUHBRPVTLR-QGZVFWFLSA-N -1 3 372.446 2.840 20 30 FFEDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000443028447 513847368 /nfs/dbraw/zinc/84/73/68/513847368.db2.gz DXPDOIWPZJZRBI-UHFFFAOYSA-N -1 3 362.426 2.962 20 30 FFEDHM COc1ccc(OC)c(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000443095788 513870524 /nfs/dbraw/zinc/87/05/24/513870524.db2.gz UAIJMYGAHUEYAZ-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000443113287 513875645 /nfs/dbraw/zinc/87/56/45/513875645.db2.gz IAPVSAHRNKEZHC-ZDUSSCGKSA-N -1 3 364.389 2.652 20 30 FFEDHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)cn1C ZINC000416659048 513893179 /nfs/dbraw/zinc/89/31/79/513893179.db2.gz GYQFTNDFJSPNHN-INIZCTEOSA-N -1 3 358.467 2.771 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OC(C)(C)C ZINC000443502917 513980637 /nfs/dbraw/zinc/98/06/37/513980637.db2.gz RPTQFEPYPDLZCA-CQSZACIVSA-N -1 3 372.874 2.856 20 30 FFEDHM N#Cc1ncn(-c2ccccc2NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000426811692 514047951 /nfs/dbraw/zinc/04/79/51/514047951.db2.gz VHSMXUSCZPLMJS-UHFFFAOYSA-N -1 3 365.368 2.945 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414438909 514115882 /nfs/dbraw/zinc/11/58/82/514115882.db2.gz DWIQEHQITOUQCN-NSHDSACASA-N -1 3 365.333 2.830 20 30 FFEDHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000444113689 514126890 /nfs/dbraw/zinc/12/68/90/514126890.db2.gz SXQAADGOYMCCDR-CYBMUJFWSA-N -1 3 373.500 2.633 20 30 FFEDHM CCOC(=O)c1c([N-]C(=O)C(=O)N(C)C[C@H](C)C#N)scc1C(C)C ZINC000437415165 514157859 /nfs/dbraw/zinc/15/78/59/514157859.db2.gz XOFARCLOZFJKIA-LLVKDONJSA-N -1 3 365.455 2.605 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)c2cc(C#N)cc(N(C)C)c2)n[n-]1 ZINC000432890002 514315181 /nfs/dbraw/zinc/31/51/81/514315181.db2.gz INARUANXIDUEKU-UHFFFAOYSA-N -1 3 362.393 2.670 20 30 FFEDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)c(OC)c2)cc1OC ZINC000417554762 514406822 /nfs/dbraw/zinc/40/68/22/514406822.db2.gz KBRXTCUDPDOEJQ-MRXNPFEDSA-N -1 3 370.405 2.890 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000428237702 514428637 /nfs/dbraw/zinc/42/86/37/514428637.db2.gz BSCLWMPWXPQYRL-AAEUAGOBSA-N -1 3 367.352 2.806 20 30 FFEDHM Cc1ccc(Br)cc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428379728 514461858 /nfs/dbraw/zinc/46/18/58/514461858.db2.gz XDMGEHFEXUVFTE-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccnc2C#N)c2ccc(F)cc2O1 ZINC000428409862 514469199 /nfs/dbraw/zinc/46/91/99/514469199.db2.gz NXZTXGJJKJBESR-ZDUSSCGKSA-N -1 3 361.398 2.673 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000470840895 514636011 /nfs/dbraw/zinc/63/60/11/514636011.db2.gz QHOJWQXANPFKCX-UHFFFAOYSA-N -1 3 358.345 2.919 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000508070562 514654995 /nfs/dbraw/zinc/65/49/95/514654995.db2.gz XBBCSMHKVIGVTN-ZDUSSCGKSA-N -1 3 351.255 2.732 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(NC(=O)C(C)C)c3)nc1-2 ZINC000497938319 514691505 /nfs/dbraw/zinc/69/15/05/514691505.db2.gz ONCXTXKVHRSAGA-ZDUSSCGKSA-N -1 3 362.393 2.746 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)c1 ZINC000475553304 514712520 /nfs/dbraw/zinc/71/25/20/514712520.db2.gz UFSMYUYHUCPIBV-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)OC(F)(F)O2)c1nnc2n1CCCCC2 ZINC000453624283 514732979 /nfs/dbraw/zinc/73/29/79/514732979.db2.gz QBNJSAOORDHTPZ-NSHDSACASA-N -1 3 360.320 2.816 20 30 FFEDHM N#Cc1cc(NC(=O)NCc2ncccc2[O-])ccc1OCC(F)(F)F ZINC000471176431 514784578 /nfs/dbraw/zinc/78/45/78/514784578.db2.gz KKJJYORFWQVSOD-UHFFFAOYSA-N -1 3 366.299 2.922 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000466893975 514816805 /nfs/dbraw/zinc/81/68/05/514816805.db2.gz MHRSZTJZWROMOB-CYBMUJFWSA-N -1 3 364.389 2.916 20 30 FFEDHM Cc1cc(C#N)cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000456000010 514896944 /nfs/dbraw/zinc/89/69/44/514896944.db2.gz KVLTXBAXWWOJNO-UHFFFAOYSA-N -1 3 364.405 2.562 20 30 FFEDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503467274 515044464 /nfs/dbraw/zinc/04/44/64/515044464.db2.gz ZQXVQDRHXDYUFR-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503501439 515056988 /nfs/dbraw/zinc/05/69/88/515056988.db2.gz CCNGURCRDURXHJ-UHFFFAOYSA-N -1 3 374.853 2.848 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000489982043 515057137 /nfs/dbraw/zinc/05/71/37/515057137.db2.gz AWEKNHGZODRZRW-UHFFFAOYSA-N -1 3 354.300 2.901 20 30 FFEDHM C=CCC(C)(C)C(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000509222870 515082076 /nfs/dbraw/zinc/08/20/76/515082076.db2.gz DWUPXJRTCCHKCB-UHFFFAOYSA-N -1 3 356.426 2.867 20 30 FFEDHM C=CCC(C)(C)C(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000509222870 515082081 /nfs/dbraw/zinc/08/20/81/515082081.db2.gz DWUPXJRTCCHKCB-UHFFFAOYSA-N -1 3 356.426 2.867 20 30 FFEDHM COC1(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)CCC(C)CC1 ZINC000480963421 515154726 /nfs/dbraw/zinc/15/47/26/515154726.db2.gz YPLMYFHMDVFUQW-UHFFFAOYSA-N -1 3 354.447 2.712 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1c(F)cccc1OC(F)F ZINC000480964940 515154928 /nfs/dbraw/zinc/15/49/28/515154928.db2.gz VMRLINZJNHJROJ-UHFFFAOYSA-N -1 3 374.315 2.916 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000476792955 515197829 /nfs/dbraw/zinc/19/78/29/515197829.db2.gz CJTUWBUBKYDFIV-UHFFFAOYSA-N -1 3 353.357 2.862 20 30 FFEDHM C=CCC1(CNC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCCC1 ZINC000456490774 515216848 /nfs/dbraw/zinc/21/68/48/515216848.db2.gz XWKOVDKYUQMCAC-IBGZPJMESA-N -1 3 355.438 2.608 20 30 FFEDHM CSc1nc([O-])c(C(=O)Nc2ccccc2-n2cccn2)cc1C#N ZINC000476951525 515261851 /nfs/dbraw/zinc/26/18/51/515261851.db2.gz KXGISYVWHQVKMZ-UHFFFAOYSA-N -1 3 351.391 2.819 20 30 FFEDHM CS(=O)(=O)c1cccc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000468228913 515271853 /nfs/dbraw/zinc/27/18/53/515271853.db2.gz DKHKJGPBXQNPDF-UHFFFAOYSA-N -1 3 367.386 2.869 20 30 FFEDHM C=CCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000472706573 515371481 /nfs/dbraw/zinc/37/14/81/515371481.db2.gz UCJBVAVRPPIAOD-UHFFFAOYSA-N -1 3 374.528 2.863 20 30 FFEDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H]1C ZINC000481601795 515397863 /nfs/dbraw/zinc/39/78/63/515397863.db2.gz DSYDDZGWSBRQSH-JHJVBQTASA-N -1 3 351.428 2.817 20 30 FFEDHM CC1(C#N)CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482055086 515559962 /nfs/dbraw/zinc/55/99/62/515559962.db2.gz XOMFJGTUBFMTRK-UHFFFAOYSA-N -1 3 362.231 2.676 20 30 FFEDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000486638102 515573730 /nfs/dbraw/zinc/57/37/30/515573730.db2.gz FEOJDWXXNOMSLO-UWVGGRQHSA-N -1 3 367.862 2.883 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000469008424 515627444 /nfs/dbraw/zinc/62/74/44/515627444.db2.gz QILCUBWVOQNKKF-WCQYABFASA-N -1 3 360.863 2.580 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1ccc(C)o1 ZINC000464202927 515741953 /nfs/dbraw/zinc/74/19/53/515741953.db2.gz FHPDMVNHRKCDFD-AWEZNQCLSA-N -1 3 364.423 2.524 20 30 FFEDHM CCc1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1[O-] ZINC000487163837 515782432 /nfs/dbraw/zinc/78/24/32/515782432.db2.gz UVBHPSGMJVBEDJ-SFHVURJKSA-N -1 3 363.417 2.752 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000479148825 516079216 /nfs/dbraw/zinc/07/92/16/516079216.db2.gz YVUCGUDJWLQYNL-ZWNOBZJWSA-N -1 3 358.261 2.595 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)n1 ZINC000512145506 516172655 /nfs/dbraw/zinc/17/26/55/516172655.db2.gz XRBLLTQASGCLEY-UHFFFAOYSA-N -1 3 372.363 2.947 20 30 FFEDHM C=CCN(C(=O)c1cnc2c(cnn2C)c1[O-])c1nc2c(s1)CCCC2 ZINC000512182985 516186221 /nfs/dbraw/zinc/18/62/21/516186221.db2.gz LEIQXIDUVKTRJM-UHFFFAOYSA-N -1 3 369.450 2.842 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557808304 516448072 /nfs/dbraw/zinc/44/80/72/516448072.db2.gz NDWMUEFTYXNTGY-UHFFFAOYSA-N -1 3 361.286 2.518 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000540322180 516511556 /nfs/dbraw/zinc/51/15/56/516511556.db2.gz ILNSTJDOBSOABA-NSHDSACASA-N -1 3 358.510 2.643 20 30 FFEDHM COC(=O)c1cccc(CSc2n[n-]c(-c3ccccn3)n2)c1C#N ZINC000535880598 516542178 /nfs/dbraw/zinc/54/21/78/516542178.db2.gz QIUCHUFWCXSQIP-UHFFFAOYSA-N -1 3 351.391 2.817 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000547951899 516653624 /nfs/dbraw/zinc/65/36/24/516653624.db2.gz PAVWCRPLQKOMGI-OCCSQVGLSA-N -1 3 372.874 2.726 20 30 FFEDHM N#Cc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1Cl ZINC000544609192 516836363 /nfs/dbraw/zinc/83/63/63/516836363.db2.gz KDBUQCDKAMUMIW-UHFFFAOYSA-N -1 3 369.808 2.515 20 30 FFEDHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000548280561 516870089 /nfs/dbraw/zinc/87/00/89/516870089.db2.gz VSORKAQQJKHIBD-CYBMUJFWSA-N -1 3 372.874 2.868 20 30 FFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000551952503 516984894 /nfs/dbraw/zinc/98/48/94/516984894.db2.gz JWZSRKZVAPNQQY-CYBMUJFWSA-N -1 3 350.868 2.934 20 30 FFEDHM N#Cc1cccc(N2CCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000544931999 516992471 /nfs/dbraw/zinc/99/24/71/516992471.db2.gz AHDKESXAUFATNW-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C=CCCc1ccccc1NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000562276270 517002864 /nfs/dbraw/zinc/00/28/64/517002864.db2.gz WQOPQRIDUADALT-YWZLYKJASA-N -1 3 370.453 2.790 20 30 FFEDHM N#CC(=C([O-])c1ccccc1CN1CCOCC1)c1cnc2ccccc2n1 ZINC000558948654 517015391 /nfs/dbraw/zinc/01/53/91/517015391.db2.gz XEYOBNONLGBWAM-GOSISDBHSA-N -1 3 372.428 2.952 20 30 FFEDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(C#N)cc3)cs2)n1 ZINC000541858864 517254903 /nfs/dbraw/zinc/25/49/03/517254903.db2.gz SMUWEEPBVBLLMA-UHFFFAOYSA-N -1 3 354.351 2.576 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cc(Br)cn2)cc1)c1ccncn1 ZINC000546152836 517570931 /nfs/dbraw/zinc/57/09/31/517570931.db2.gz JJJKOXAEMWJXPS-CQSZACIVSA-N -1 3 368.194 2.915 20 30 FFEDHM C=CCc1cc(CNC(=O)c2cccc3nn[n-]c32)cc(OC)c1OC ZINC000527354892 517655348 /nfs/dbraw/zinc/65/53/48/517655348.db2.gz GXODZIIKSBTRJN-UHFFFAOYSA-N -1 3 352.394 2.634 20 30 FFEDHM C=CCc1cc(CNC(=O)c2cccc3[n-]nnc32)cc(OC)c1OC ZINC000527354892 517655359 /nfs/dbraw/zinc/65/53/59/517655359.db2.gz GXODZIIKSBTRJN-UHFFFAOYSA-N -1 3 352.394 2.634 20 30 FFEDHM C=CCc1cc(CNC(=O)c2cccc3n[n-]nc32)cc(OC)c1OC ZINC000527354892 517655364 /nfs/dbraw/zinc/65/53/64/517655364.db2.gz GXODZIIKSBTRJN-UHFFFAOYSA-N -1 3 352.394 2.634 20 30 FFEDHM C=C(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000560369830 517738754 /nfs/dbraw/zinc/73/87/54/517738754.db2.gz VOBLJXQNAFJYBR-UHFFFAOYSA-N -1 3 369.469 2.646 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc2ccccc2n1C(F)F ZINC000553774424 517896533 /nfs/dbraw/zinc/89/65/33/517896533.db2.gz RWUNVAKGMDGLQI-VIFPVBQESA-N -1 3 366.349 2.936 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c(F)c1 ZINC000553908541 517964142 /nfs/dbraw/zinc/96/41/42/517964142.db2.gz RCWUUVBRTYMSRY-OAHLLOKOSA-N -1 3 368.817 2.753 20 30 FFEDHM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000530897237 518039650 /nfs/dbraw/zinc/03/96/50/518039650.db2.gz PNKTWWFWURJCSI-UHFFFAOYSA-N -1 3 362.382 2.861 20 30 FFEDHM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000560820876 518043274 /nfs/dbraw/zinc/04/32/74/518043274.db2.gz WVTSOTHKYGLJMA-UHFFFAOYSA-N -1 3 366.826 2.762 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)c(F)c1 ZINC000531144105 518153746 /nfs/dbraw/zinc/15/37/46/518153746.db2.gz LRIISYYEKXIHHN-UHFFFAOYSA-N -1 3 361.373 2.839 20 30 FFEDHM C[C@]1(c2cccc(-c3noc(-c4cccc(CC#N)c4)n3)c2)NC(=O)[N-]C1=O ZINC000578565816 518267548 /nfs/dbraw/zinc/26/75/48/518267548.db2.gz NUVRDTXHGLZSEV-HXUWFJFHSA-N -1 3 373.372 2.524 20 30 FFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000578584472 518275161 /nfs/dbraw/zinc/27/51/61/518275161.db2.gz RVIJKCKYFZCRGG-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000575776458 518276833 /nfs/dbraw/zinc/27/68/33/518276833.db2.gz CSPLATJJRFMFSP-GOSISDBHSA-N -1 3 371.462 2.526 20 30 FFEDHM C=CC[C@H](CC)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000581579814 518353945 /nfs/dbraw/zinc/35/39/45/518353945.db2.gz RERDZPGORODYKV-JTQLQIEISA-N -1 3 365.282 2.743 20 30 FFEDHM CCN(CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1C ZINC000564404756 518435912 /nfs/dbraw/zinc/43/59/12/518435912.db2.gz XVGIMQVGIHVIIO-UHFFFAOYSA-N -1 3 361.442 2.811 20 30 FFEDHM Cn1nc(-c2ccccc2)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000582164024 518617638 /nfs/dbraw/zinc/61/76/38/518617638.db2.gz ACGAAUBODYCGRQ-HNNXBMFYSA-N -1 3 360.421 2.895 20 30 FFEDHM CCOC(=O)c1cnc([N-]C(=O)Nc2cccc(OCCCC#N)c2)n1C ZINC000579452239 518687979 /nfs/dbraw/zinc/68/79/79/518687979.db2.gz IGENUFRDTNAQJS-UHFFFAOYSA-N -1 3 371.397 2.923 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCCCO1 ZINC000588122866 518730244 /nfs/dbraw/zinc/73/02/44/518730244.db2.gz IAWHEZYHAOHTKS-GWCFXTLKSA-N -1 3 373.272 2.557 20 30 FFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC(C)(C)CCC#N)s1 ZINC000588143360 518733834 /nfs/dbraw/zinc/73/38/34/518733834.db2.gz ZFKBQOGKPPDKBA-NSHDSACASA-N -1 3 357.501 2.553 20 30 FFEDHM C=C(C[N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccccc1 ZINC000588138701 518734756 /nfs/dbraw/zinc/73/47/56/518734756.db2.gz ZFUXAQUIKIWBMB-UHFFFAOYSA-N -1 3 351.449 2.835 20 30 FFEDHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCOCc2ccc(C#N)cc2)c1 ZINC000573737910 518811219 /nfs/dbraw/zinc/81/12/19/518811219.db2.gz UWFVBTJQUXIMIG-UHFFFAOYSA-N -1 3 367.405 2.511 20 30 FFEDHM CCN1CCN(c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)c(C)c2)CC1 ZINC000589162288 518933998 /nfs/dbraw/zinc/93/39/98/518933998.db2.gz RPTKRGFYWHPWOU-UHFFFAOYSA-N -1 3 364.449 2.967 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)OCCc2sccc21 ZINC000571248844 518999185 /nfs/dbraw/zinc/99/91/85/518999185.db2.gz YCHZOVYXDGGNMS-INIZCTEOSA-N -1 3 366.439 2.525 20 30 FFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000565925228 519199432 /nfs/dbraw/zinc/19/94/32/519199432.db2.gz WMRHELGXCPKFKG-UHFFFAOYSA-N -1 3 353.362 2.962 20 30 FFEDHM Cc1c([N-]S(=O)(=O)C[C@@H]2CCCO2)ccc(Br)c1C#N ZINC000580541584 519229897 /nfs/dbraw/zinc/22/98/97/519229897.db2.gz MUVXZIIMZLFXOQ-JTQLQIEISA-N -1 3 359.245 2.550 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@H]2CSc3ccccc3O2)CCCCC1 ZINC000574687906 519280513 /nfs/dbraw/zinc/28/05/13/519280513.db2.gz FWXPCVGLAYKDJV-AWEZNQCLSA-N -1 3 366.508 2.933 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000577865031 519298399 /nfs/dbraw/zinc/29/83/99/519298399.db2.gz CQZNEOCUGFQDRD-GFCCVEGCSA-N -1 3 362.455 2.614 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nc2c(s1)CCC2 ZINC000583682339 519379960 /nfs/dbraw/zinc/37/99/60/519379960.db2.gz GZRKWKXLYOZSFZ-SNVBAGLBSA-N -1 3 365.455 2.823 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)c(F)c1 ZINC000581168742 519555703 /nfs/dbraw/zinc/55/57/03/519555703.db2.gz AISSAMDQBZLCRE-UHFFFAOYSA-N -1 3 373.331 2.632 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594486452 519997417 /nfs/dbraw/zinc/99/74/17/519997417.db2.gz GBMCGEZNTIBPIO-TZMCWYRMSA-N -1 3 362.373 2.645 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1C#N ZINC000594489405 519999167 /nfs/dbraw/zinc/99/91/67/519999167.db2.gz OJHOVULSOKKTJX-OCCSQVGLSA-N -1 3 362.373 2.645 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)CC(F)F ZINC000592067125 520162501 /nfs/dbraw/zinc/16/25/01/520162501.db2.gz MZGLLUVQUFMKOZ-QMMMGPOBSA-N -1 3 367.215 2.890 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(CO)CCCC(C)(C)C1 ZINC000600369007 520227461 /nfs/dbraw/zinc/22/74/61/520227461.db2.gz ZPPUGUGGZJZEAK-HXUWFJFHSA-N -1 3 359.470 2.656 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@@H](C#N)C1CCCCC1)c1ccc(F)cc1 ZINC000600667420 520385250 /nfs/dbraw/zinc/38/52/50/520385250.db2.gz CSUIMOULDFCUTP-DLBZAZTESA-N -1 3 354.447 2.905 20 30 FFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2cccc(C#N)c2)CCCC1 ZINC000609802744 520438801 /nfs/dbraw/zinc/43/88/01/520438801.db2.gz NDZIJYQDLINVBT-UHFFFAOYSA-N -1 3 364.467 2.632 20 30 FFEDHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610083027 520533819 /nfs/dbraw/zinc/53/38/19/520533819.db2.gz AGGYLBSIJAXKTC-NSHDSACASA-N -1 3 352.362 2.582 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cn2cccn2)c2ccccc2)c(F)c1 ZINC000610161874 520565205 /nfs/dbraw/zinc/56/52/05/520565205.db2.gz OYNYWPRNWIWVFQ-KRWDZBQOSA-N -1 3 370.409 2.614 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000598620568 520748456 /nfs/dbraw/zinc/74/84/56/520748456.db2.gz CFODTUFKYJBVEX-VIFPVBQESA-N -1 3 354.300 2.901 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1([C@@H]2CCCCO2)CCC1 ZINC000601520630 520823128 /nfs/dbraw/zinc/82/31/28/520823128.db2.gz VNSBZDHILHNCAV-INIZCTEOSA-N -1 3 352.431 2.715 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c1 ZINC000611234420 521051209 /nfs/dbraw/zinc/05/12/09/521051209.db2.gz YJDCJPOLMLAJKD-OAHLLOKOSA-N -1 3 366.801 2.904 20 30 FFEDHM CCCC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593529462 521053176 /nfs/dbraw/zinc/05/31/76/521053176.db2.gz BGVYHKZYKWMZNL-UHFFFAOYSA-N -1 3 363.464 2.837 20 30 FFEDHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593573604 521085631 /nfs/dbraw/zinc/08/56/31/521085631.db2.gz YMTHIDVWIZBWIP-BDJLRTHQSA-N -1 3 366.464 2.683 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000593575566 521086731 /nfs/dbraw/zinc/08/67/31/521086731.db2.gz HSHQALYJDGAWMC-UONOGXRCSA-N -1 3 366.439 2.957 20 30 FFEDHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000611538670 521209781 /nfs/dbraw/zinc/20/97/81/521209781.db2.gz GKGFPWZTCKUOSS-UHFFFAOYSA-N -1 3 365.842 2.872 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000593787362 521213729 /nfs/dbraw/zinc/21/37/29/521213729.db2.gz IEPVNDAKCIQHGP-BFUOFWGJSA-N -1 3 371.412 2.586 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C[C@@H]4CCOC4)nn3)sc2C1 ZINC000602231960 521224802 /nfs/dbraw/zinc/22/48/02/521224802.db2.gz SPBVAIPZSBABNI-NEPJUHHUSA-N -1 3 371.466 2.625 20 30 FFEDHM C[C@@]1(c2cccc(NC(=O)CC3(C#N)CCCCC3)c2)NC(=O)[N-]C1=O ZINC000596810584 521300106 /nfs/dbraw/zinc/30/01/06/521300106.db2.gz SPBDSBAXCGBUMD-SFHVURJKSA-N -1 3 354.410 2.544 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2ccc3c(n2)OCCO3)c(C#N)c1C ZINC000593944223 521306861 /nfs/dbraw/zinc/30/68/61/521306861.db2.gz UTPSSTSNMWCBJX-UHFFFAOYSA-N -1 3 373.390 2.523 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cs1 ZINC000618987343 521336059 /nfs/dbraw/zinc/33/60/59/521336059.db2.gz VJGDJFTZGVMAAF-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)cc1Br ZINC000619000652 521346607 /nfs/dbraw/zinc/34/66/07/521346607.db2.gz UUXAYYAKDPMYOD-SECBINFHSA-N -1 3 365.199 2.787 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cccc(O[C@@H](C)CC)c2)nn1 ZINC000632635015 522202145 /nfs/dbraw/zinc/20/21/45/522202145.db2.gz CMYCOWSRARBITL-AWEZNQCLSA-N -1 3 364.471 2.510 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000630479373 522874150 /nfs/dbraw/zinc/87/41/50/522874150.db2.gz FQSQZYCEFUOKGM-INIZCTEOSA-N -1 3 351.491 2.751 20 30 FFEDHM O=C([N-]Cc1nccc(C(F)(F)F)n1)c1c(F)c(F)cc(F)c1F ZINC000622704882 523441665 /nfs/dbraw/zinc/44/16/65/523441665.db2.gz VOMWWZRKBJWKMA-UHFFFAOYSA-N -1 3 353.197 2.982 20 30 FFEDHM N#C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000737673977 598826085 /nfs/dbraw/zinc/82/60/85/598826085.db2.gz FLZFRCPAAKCWRE-MRXNPFEDSA-N -1 3 366.812 2.834 20 30 FFEDHM N#C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000737673977 598826087 /nfs/dbraw/zinc/82/60/87/598826087.db2.gz FLZFRCPAAKCWRE-MRXNPFEDSA-N -1 3 366.812 2.834 20 30 FFEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cccc(CC#N)c1 ZINC000736040904 598886348 /nfs/dbraw/zinc/88/63/48/598886348.db2.gz RXXPKZBXBVNHKN-CYBMUJFWSA-N -1 3 363.377 2.557 20 30 FFEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cccc(CC#N)c1 ZINC000736040904 598886350 /nfs/dbraw/zinc/88/63/50/598886350.db2.gz RXXPKZBXBVNHKN-CYBMUJFWSA-N -1 3 363.377 2.557 20 30 FFEDHM Cc1cc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1Cl ZINC000737279251 598917120 /nfs/dbraw/zinc/91/71/20/598917120.db2.gz OUKOUYJATFVMOH-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1cc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1Cl ZINC000737279251 598917121 /nfs/dbraw/zinc/91/71/21/598917121.db2.gz OUKOUYJATFVMOH-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000737718124 598917938 /nfs/dbraw/zinc/91/79/38/598917938.db2.gz FNWZKNLQGZQSBJ-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1-c1nn[n-]n1 ZINC000737718124 598917939 /nfs/dbraw/zinc/91/79/39/598917939.db2.gz FNWZKNLQGZQSBJ-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)coc2c1 ZINC000737371491 598921439 /nfs/dbraw/zinc/92/14/39/598921439.db2.gz FAOZLJKDGOLFRZ-UHFFFAOYSA-N -1 3 358.361 2.974 20 30 FFEDHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)coc2c1 ZINC000737371491 598921441 /nfs/dbraw/zinc/92/14/41/598921441.db2.gz FAOZLJKDGOLFRZ-UHFFFAOYSA-N -1 3 358.361 2.974 20 30 FFEDHM COc1ccc(C=C2COc3c(F)cc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737085128 599156312 /nfs/dbraw/zinc/15/63/12/599156312.db2.gz YPYRGCTUGSCSCA-ONNFQVAWSA-N -1 3 370.315 2.812 20 30 FFEDHM COc1ccc(C=C2COc3c(F)cc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737085128 599156314 /nfs/dbraw/zinc/15/63/14/599156314.db2.gz YPYRGCTUGSCSCA-ONNFQVAWSA-N -1 3 370.315 2.812 20 30 FFEDHM N#Cc1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000737718291 599196101 /nfs/dbraw/zinc/19/61/01/599196101.db2.gz GUZHTXQTEXDNGT-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000737718291 599196103 /nfs/dbraw/zinc/19/61/03/599196103.db2.gz GUZHTXQTEXDNGT-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cc(NC(=O)CSCc2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737708462 599198136 /nfs/dbraw/zinc/19/81/36/599198136.db2.gz GEJYFSTXMLXPCT-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1cc(NC(=O)CSCc2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737708462 599198139 /nfs/dbraw/zinc/19/81/39/599198139.db2.gz GEJYFSTXMLXPCT-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736172520 599199007 /nfs/dbraw/zinc/19/90/07/599199007.db2.gz ACECNGJAKZKTKV-LBPRGKRZSA-N -1 3 374.404 2.633 20 30 FFEDHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736172520 599199009 /nfs/dbraw/zinc/19/90/09/599199009.db2.gz ACECNGJAKZKTKV-LBPRGKRZSA-N -1 3 374.404 2.633 20 30 FFEDHM N#Cc1cc(NC(=O)c2csc(-c3ccccn3)n2)ccc1-c1nnn[n-]1 ZINC000737709648 599200362 /nfs/dbraw/zinc/20/03/62/599200362.db2.gz MYWDBJLMLOYUJN-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1cc(NC(=O)c2csc(-c3ccccn3)n2)ccc1-c1nn[n-]n1 ZINC000737709648 599200364 /nfs/dbraw/zinc/20/03/64/599200364.db2.gz MYWDBJLMLOYUJN-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM C=CCOc1ccc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819758612 599203512 /nfs/dbraw/zinc/20/35/12/599203512.db2.gz BMOGBUHEGJNJFX-UHFFFAOYSA-N -1 3 350.378 2.970 20 30 FFEDHM C=CCOc1ccc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819758612 599203513 /nfs/dbraw/zinc/20/35/13/599203513.db2.gz BMOGBUHEGJNJFX-UHFFFAOYSA-N -1 3 350.378 2.970 20 30 FFEDHM N#Cc1cnc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822842311 607262966 /nfs/dbraw/zinc/26/29/66/607262966.db2.gz BIXTYPGBBDKRDN-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cnc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822842311 607262967 /nfs/dbraw/zinc/26/29/67/607262967.db2.gz BIXTYPGBBDKRDN-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM COc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821770894 599275567 /nfs/dbraw/zinc/27/55/67/599275567.db2.gz ZGZFSWGQLASEJG-LLVKDONJSA-N -1 3 363.381 2.630 20 30 FFEDHM COc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821770894 599275569 /nfs/dbraw/zinc/27/55/69/599275569.db2.gz ZGZFSWGQLASEJG-LLVKDONJSA-N -1 3 363.381 2.630 20 30 FFEDHM C[C@H](C#N)CNN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819857560 607325294 /nfs/dbraw/zinc/32/52/94/607325294.db2.gz SKGZJSDPPSUXMB-CQSZACIVSA-N -1 3 361.409 2.529 20 30 FFEDHM C[C@H](C#N)CNN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819857560 607325295 /nfs/dbraw/zinc/32/52/95/607325295.db2.gz SKGZJSDPPSUXMB-CQSZACIVSA-N -1 3 361.409 2.529 20 30 FFEDHM CC(C)Oc1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000735915255 598354258 /nfs/dbraw/zinc/35/42/58/598354258.db2.gz NLNGHWSHYDXPFZ-UHFFFAOYSA-N -1 3 367.438 2.795 20 30 FFEDHM CC(C)Oc1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000735915255 598354260 /nfs/dbraw/zinc/35/42/60/598354260.db2.gz NLNGHWSHYDXPFZ-UHFFFAOYSA-N -1 3 367.438 2.795 20 30 FFEDHM N#CCCCCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737688069 598360990 /nfs/dbraw/zinc/36/09/90/598360990.db2.gz PECJAPICTVJMAA-UHFFFAOYSA-N -1 3 367.365 2.889 20 30 FFEDHM N#CCCCCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737688069 598360992 /nfs/dbraw/zinc/36/09/92/598360992.db2.gz PECJAPICTVJMAA-UHFFFAOYSA-N -1 3 367.365 2.889 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000735659724 598487418 /nfs/dbraw/zinc/48/74/18/598487418.db2.gz DUTIONBITNSXGJ-UHFFFAOYSA-N -1 3 363.425 2.866 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000735659724 598487419 /nfs/dbraw/zinc/48/74/19/598487419.db2.gz DUTIONBITNSXGJ-UHFFFAOYSA-N -1 3 363.425 2.866 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735380689 598513726 /nfs/dbraw/zinc/51/37/26/598513726.db2.gz LEYSCBGUORDOFY-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380689 598513728 /nfs/dbraw/zinc/51/37/28/598513728.db2.gz LEYSCBGUORDOFY-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737718091 598551156 /nfs/dbraw/zinc/55/11/56/598551156.db2.gz JNQMNLDGVWFPKQ-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737718091 598551158 /nfs/dbraw/zinc/55/11/58/598551158.db2.gz JNQMNLDGVWFPKQ-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737722394 598714022 /nfs/dbraw/zinc/71/40/22/598714022.db2.gz ITUXIRRAHOZRBR-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737722394 598714024 /nfs/dbraw/zinc/71/40/24/598714024.db2.gz ITUXIRRAHOZRBR-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000735420108 598790956 /nfs/dbraw/zinc/79/09/56/598790956.db2.gz MKKGGGSKHUAPOT-MAUKXSAKSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000735420108 598790957 /nfs/dbraw/zinc/79/09/57/598790957.db2.gz MKKGGGSKHUAPOT-MAUKXSAKSA-N -1 3 369.469 2.977 20 30 FFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2cnccn2)cc1 ZINC000819718253 599336623 /nfs/dbraw/zinc/33/66/23/599336623.db2.gz CCCUGBPULBOZFM-UHFFFAOYSA-N -1 3 358.365 2.895 20 30 FFEDHM C=CCCCCCN(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819739687 599451515 /nfs/dbraw/zinc/45/15/15/599451515.db2.gz DDDUQLHPVJINKN-UHFFFAOYSA-N -1 3 358.446 2.633 20 30 FFEDHM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000821346419 599631125 /nfs/dbraw/zinc/63/11/25/599631125.db2.gz IMQCAKCBHJZSIR-SECBINFHSA-N -1 3 369.410 2.545 20 30 FFEDHM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000821346419 599631126 /nfs/dbraw/zinc/63/11/26/599631126.db2.gz IMQCAKCBHJZSIR-SECBINFHSA-N -1 3 369.410 2.545 20 30 FFEDHM C=CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccncc1 ZINC000819734982 599674687 /nfs/dbraw/zinc/67/46/87/599674687.db2.gz YFXUMWGCJUCEFQ-MRXNPFEDSA-N -1 3 367.388 2.517 20 30 FFEDHM C=CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccncc1 ZINC000819734982 599674688 /nfs/dbraw/zinc/67/46/88/599674688.db2.gz YFXUMWGCJUCEFQ-MRXNPFEDSA-N -1 3 367.388 2.517 20 30 FFEDHM N#CC(C(=O)CCCNC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000739074933 599799425 /nfs/dbraw/zinc/79/94/25/599799425.db2.gz NNXYJLUEPLMEKL-VIFPVBQESA-N -1 3 358.181 2.689 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)COc1cccc(C#N)c1 ZINC000826251338 607401258 /nfs/dbraw/zinc/40/12/58/607401258.db2.gz MJMJKXIJUAEXRG-CYBMUJFWSA-N -1 3 363.377 2.671 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)COc1cccc(C#N)c1 ZINC000826251338 607401261 /nfs/dbraw/zinc/40/12/61/607401261.db2.gz MJMJKXIJUAEXRG-CYBMUJFWSA-N -1 3 363.377 2.671 20 30 FFEDHM C#CCN1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CC1 ZINC000736079855 600392401 /nfs/dbraw/zinc/39/24/01/600392401.db2.gz OEVIUSZRGISSRL-LJQANCHMSA-N -1 3 370.493 2.961 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CSc1ccc(C#N)cc1 ZINC000826253717 607445051 /nfs/dbraw/zinc/44/50/51/607445051.db2.gz AAEUROCRRXTPBT-UHFFFAOYSA-N -1 3 365.418 2.882 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CSc1ccc(C#N)cc1 ZINC000826253717 607445053 /nfs/dbraw/zinc/44/50/53/607445053.db2.gz AAEUROCRRXTPBT-UHFFFAOYSA-N -1 3 365.418 2.882 20 30 FFEDHM COc1cccc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738107262 600562484 /nfs/dbraw/zinc/56/24/84/600562484.db2.gz WSHRNOCZTUHVRE-LJQANCHMSA-N -1 3 351.406 2.515 20 30 FFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504406 607458668 /nfs/dbraw/zinc/45/86/68/607458668.db2.gz PZIOSUPFYFFEMK-KMKOMSMNSA-N -1 3 358.279 2.943 20 30 FFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504406 607458669 /nfs/dbraw/zinc/45/86/69/607458669.db2.gz PZIOSUPFYFFEMK-KMKOMSMNSA-N -1 3 358.279 2.943 20 30 FFEDHM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)Cc2c1c(F)ccc2F ZINC000826476994 607530313 /nfs/dbraw/zinc/53/03/13/607530313.db2.gz SWUYWECNBYIJDW-YHYXMXQVSA-N -1 3 364.315 2.615 20 30 FFEDHM O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)Cc2c1c(F)ccc2F ZINC000826476994 607530316 /nfs/dbraw/zinc/53/03/16/607530316.db2.gz SWUYWECNBYIJDW-YHYXMXQVSA-N -1 3 364.315 2.615 20 30 FFEDHM CN(CC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)[O-] ZINC000739618310 602623096 /nfs/dbraw/zinc/62/30/96/602623096.db2.gz ZLMGHBFITVHSSE-QMMMGPOBSA-N -1 3 351.334 2.874 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000831064107 604222658 /nfs/dbraw/zinc/22/26/58/604222658.db2.gz BZPQKJWDRUIWKB-QXEWZRGKSA-N -1 3 367.764 2.563 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)noc1C(F)F ZINC000819745504 606051137 /nfs/dbraw/zinc/05/11/37/606051137.db2.gz GTMGSBYHDAAHOX-UHFFFAOYSA-N -1 3 374.351 2.929 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)noc1C(F)F ZINC000819745504 606051143 /nfs/dbraw/zinc/05/11/43/606051143.db2.gz GTMGSBYHDAAHOX-UHFFFAOYSA-N -1 3 374.351 2.929 20 30 FFEDHM N#C[C@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000822801944 606183923 /nfs/dbraw/zinc/18/39/23/606183923.db2.gz RYMCAUIOJFDYQC-SIFUEBAJSA-N -1 3 359.389 2.806 20 30 FFEDHM N#C[C@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000822801944 606183925 /nfs/dbraw/zinc/18/39/25/606183925.db2.gz RYMCAUIOJFDYQC-SIFUEBAJSA-N -1 3 359.389 2.806 20 30 FFEDHM N#Cc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822825477 606222386 /nfs/dbraw/zinc/22/23/86/606222386.db2.gz HETUIJAKZHEOLJ-UHFFFAOYSA-N -1 3 372.348 2.807 20 30 FFEDHM N#Cc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000822825477 606222387 /nfs/dbraw/zinc/22/23/87/606222387.db2.gz HETUIJAKZHEOLJ-UHFFFAOYSA-N -1 3 372.348 2.807 20 30 FFEDHM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc(OC)c1OC ZINC000821702903 606302343 /nfs/dbraw/zinc/30/23/43/606302343.db2.gz GGUZCKSRONRJBK-PLNGDYQASA-N -1 3 372.406 2.850 20 30 FFEDHM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc(OC)c1OC ZINC000821702903 606302344 /nfs/dbraw/zinc/30/23/44/606302344.db2.gz GGUZCKSRONRJBK-PLNGDYQASA-N -1 3 372.406 2.850 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](Sc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822842324 606311137 /nfs/dbraw/zinc/31/11/37/606311137.db2.gz BXWXVQUOFAACBZ-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](Sc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822842324 606311140 /nfs/dbraw/zinc/31/11/40/606311140.db2.gz BXWXVQUOFAACBZ-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1C#N ZINC000820556603 606328514 /nfs/dbraw/zinc/32/85/14/606328514.db2.gz USRXZZBZRCRWSW-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1C#N ZINC000820556603 606328516 /nfs/dbraw/zinc/32/85/16/606328516.db2.gz USRXZZBZRCRWSW-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820937833 606337311 /nfs/dbraw/zinc/33/73/11/606337311.db2.gz DREPDRVWDSRARF-HNNXBMFYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820937833 606337312 /nfs/dbraw/zinc/33/73/12/606337312.db2.gz DREPDRVWDSRARF-HNNXBMFYSA-N -1 3 366.356 2.674 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1C ZINC000822254390 606368960 /nfs/dbraw/zinc/36/89/60/606368960.db2.gz INULFQDTYXTJIE-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM C=C[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819729119 606800259 /nfs/dbraw/zinc/80/02/59/606800259.db2.gz COYQKOCLOWCDHM-NSHDSACASA-N -1 3 354.439 2.969 20 30 FFEDHM C#CCN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819697572 606831007 /nfs/dbraw/zinc/83/10/07/606831007.db2.gz ICLKWMMBTOQOOG-UHFFFAOYSA-N -1 3 355.467 2.504 20 30 FFEDHM C#CCN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819697572 606831008 /nfs/dbraw/zinc/83/10/08/606831008.db2.gz ICLKWMMBTOQOOG-UHFFFAOYSA-N -1 3 355.467 2.504 20 30 FFEDHM CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cc(Cl)ccc1C#N ZINC000821571980 606964882 /nfs/dbraw/zinc/96/48/82/606964882.db2.gz NBIXVJBFARPXGA-UHFFFAOYSA-N -1 3 374.738 2.947 20 30 FFEDHM CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1C#N ZINC000821571980 606964883 /nfs/dbraw/zinc/96/48/83/606964883.db2.gz NBIXVJBFARPXGA-UHFFFAOYSA-N -1 3 374.738 2.947 20 30 FFEDHM Cc1ccc(C#N)cc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822224795 607028596 /nfs/dbraw/zinc/02/85/96/607028596.db2.gz AFVBOJCJVPPGMR-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM Cc1ccc(C#N)cc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822224795 607028597 /nfs/dbraw/zinc/02/85/97/607028597.db2.gz AFVBOJCJVPPGMR-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM COc1cc(F)c(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821720423 607146834 /nfs/dbraw/zinc/14/68/34/607146834.db2.gz RCASFYWNIVNZJE-UHFFFAOYSA-N -1 3 356.361 2.859 20 30 FFEDHM N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000822826420 607170758 /nfs/dbraw/zinc/17/07/58/607170758.db2.gz XFWBNPZFRUFYMV-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000822826420 607170759 /nfs/dbraw/zinc/17/07/59/607170759.db2.gz XFWBNPZFRUFYMV-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCC(=O)N2C ZINC000823958418 607843410 /nfs/dbraw/zinc/84/34/10/607843410.db2.gz MXCIBLBAPPYKBU-UHFFFAOYSA-N -1 3 361.409 2.612 20 30 FFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCC(=O)N2C ZINC000823958418 607843411 /nfs/dbraw/zinc/84/34/11/607843411.db2.gz MXCIBLBAPPYKBU-UHFFFAOYSA-N -1 3 361.409 2.612 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1ccc(C#N)cc1 ZINC000826167978 607871996 /nfs/dbraw/zinc/87/19/96/607871996.db2.gz YCNUOACCMSLANY-AWEZNQCLSA-N -1 3 371.784 2.513 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1ccc(C#N)cc1 ZINC000826167978 607871997 /nfs/dbraw/zinc/87/19/97/607871997.db2.gz YCNUOACCMSLANY-AWEZNQCLSA-N -1 3 371.784 2.513 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826385181 608158234 /nfs/dbraw/zinc/15/82/34/608158234.db2.gz AMYVOEJOMNJHFJ-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826385181 608158235 /nfs/dbraw/zinc/15/82/35/608158235.db2.gz AMYVOEJOMNJHFJ-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824712526 608183051 /nfs/dbraw/zinc/18/30/51/608183051.db2.gz APMARJVTRFLDAR-VIFPVBQESA-N -1 3 355.304 2.935 20 30 FFEDHM C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824712526 608183053 /nfs/dbraw/zinc/18/30/53/608183053.db2.gz APMARJVTRFLDAR-VIFPVBQESA-N -1 3 355.304 2.935 20 30 FFEDHM Cc1ccc(C#N)c(NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000826281393 608271557 /nfs/dbraw/zinc/27/15/57/608271557.db2.gz POJSGWSKMBSSTF-UHFFFAOYSA-N -1 3 351.439 2.787 20 30 FFEDHM Cc1ccc(C#N)c(NCCSCc2ccccc2-c2nn[n-]n2)n1 ZINC000826281393 608271558 /nfs/dbraw/zinc/27/15/58/608271558.db2.gz POJSGWSKMBSSTF-UHFFFAOYSA-N -1 3 351.439 2.787 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccn(-c3ccccc3)n2)n1 ZINC000826350044 608539050 /nfs/dbraw/zinc/53/90/50/608539050.db2.gz FYZBCMGDNSKRCS-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccn(-c3ccccc3)n2)n1 ZINC000826350044 608539051 /nfs/dbraw/zinc/53/90/51/608539051.db2.gz FYZBCMGDNSKRCS-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(C)n1 ZINC000826178189 609368388 /nfs/dbraw/zinc/36/83/88/609368388.db2.gz NKELTQOPIVPKBD-SREVYHEPSA-N -1 3 353.357 2.922 20 30 FFEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(C)n1 ZINC000826178189 609368390 /nfs/dbraw/zinc/36/83/90/609368390.db2.gz NKELTQOPIVPKBD-SREVYHEPSA-N -1 3 353.357 2.922 20 30 FFEDHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CON=C1CCCOCC1 ZINC000826369690 609435971 /nfs/dbraw/zinc/43/59/71/609435971.db2.gz MPDDNRBJNAAFRY-UHFFFAOYSA-N -1 3 353.329 2.541 20 30 FFEDHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CON=C1CCCOCC1 ZINC000826369690 609435973 /nfs/dbraw/zinc/43/59/73/609435973.db2.gz MPDDNRBJNAAFRY-UHFFFAOYSA-N -1 3 353.329 2.541 20 30 FFEDHM CCc1cccc2c1NC(=O)C2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825723244 609475375 /nfs/dbraw/zinc/47/53/75/609475375.db2.gz VGMKGNJYVCRUQJ-UHFFFAOYSA-N -1 3 367.800 2.851 20 30 FFEDHM CCc1cccc2c1NC(=O)C2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825723244 609475376 /nfs/dbraw/zinc/47/53/76/609475376.db2.gz VGMKGNJYVCRUQJ-UHFFFAOYSA-N -1 3 367.800 2.851 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1C#N ZINC000825553902 609490963 /nfs/dbraw/zinc/49/09/63/609490963.db2.gz YURCWIOVIHMISD-UHFFFAOYSA-N -1 3 369.410 2.980 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1C#N ZINC000825553902 609490966 /nfs/dbraw/zinc/49/09/66/609490966.db2.gz YURCWIOVIHMISD-UHFFFAOYSA-N -1 3 369.410 2.980 20 30 FFEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C#N ZINC000173975347 729059235 /nfs/dbraw/zinc/05/92/35/729059235.db2.gz SLFIRDFQNUEVLB-SSDOTTSWSA-N -1 3 367.652 2.549 20 30 FFEDHM CC(C)(C)CC(=O)N1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000063426041 728135528 /nfs/dbraw/zinc/13/55/28/728135528.db2.gz WCWWXKDEMIFPIN-UHFFFAOYSA-N -1 3 365.499 2.521 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C2CC2)C2CCCC2)ccc1F ZINC000075611502 728249644 /nfs/dbraw/zinc/24/96/44/728249644.db2.gz WRSSMMGQYMBZGA-UHFFFAOYSA-N -1 3 366.458 2.837 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@](C)(CC)C2)ccc1F ZINC000081321385 728397015 /nfs/dbraw/zinc/39/70/15/728397015.db2.gz LAVWZETZFHZKCS-SFHVURJKSA-N -1 3 368.474 2.942 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C(C)C)ccc1F ZINC000117195421 728576365 /nfs/dbraw/zinc/57/63/65/728576365.db2.gz AGWMNNLMTRESNP-MRXNPFEDSA-N -1 3 368.474 2.941 20 30 FFEDHM O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1[O-] ZINC000132477484 728724613 /nfs/dbraw/zinc/72/46/13/728724613.db2.gz UXVSGCBLKJAPQB-UHFFFAOYSA-N -1 3 360.163 2.874 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2C)ccc1F ZINC000172661949 729030431 /nfs/dbraw/zinc/03/04/31/729030431.db2.gz TVKAVRLCKUHQMS-STQMWFEESA-N -1 3 354.447 2.551 20 30 FFEDHM C=CCNC(=S)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000865261599 730932228 /nfs/dbraw/zinc/93/22/28/730932228.db2.gz XCJADZWACYEBTB-LLVKDONJSA-N -1 3 357.401 2.719 20 30 FFEDHM C=CCC1(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCOCC1 ZINC000870810591 731560898 /nfs/dbraw/zinc/56/08/98/731560898.db2.gz VFXYGAYFSRHXRW-UHFFFAOYSA-N -1 3 353.440 2.588 20 30 FFEDHM CC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CC(F)(F)C1 ZINC000872667187 731811062 /nfs/dbraw/zinc/81/10/62/731811062.db2.gz VPDJCRJNDYDSRS-UHFFFAOYSA-N -1 3 365.199 2.787 20 30 FFEDHM CC1(C)Cc2ccc(Cl)c(NC(=O)N[C@H]3CCCN([O-])C3=O)c2O1 ZINC000879459740 732705607 /nfs/dbraw/zinc/70/56/07/732705607.db2.gz ICQSOEHERFRXOI-NSHDSACASA-N -1 3 353.806 2.555 20 30 FFEDHM O=C(Nc1cc(Cl)ccc1C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000879547507 732720047 /nfs/dbraw/zinc/72/00/47/732720047.db2.gz QSOLUMCNSSOLAD-VIFPVBQESA-N -1 3 351.712 2.861 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(C#N)cc2F)ccc1F ZINC000725992949 734403913 /nfs/dbraw/zinc/40/39/13/734403913.db2.gz HBSGOLFKIPAJHS-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM N#Cc1csc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000748075328 735615112 /nfs/dbraw/zinc/61/51/12/735615112.db2.gz DFJGBIAZLWRILB-AWEZNQCLSA-N -1 3 369.431 2.895 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H](C)C(F)(F)F)ccc1F ZINC000748237261 735629153 /nfs/dbraw/zinc/62/91/53/735629153.db2.gz CELZYKJALJGJBM-SECBINFHSA-N -1 3 369.336 2.645 20 30 FFEDHM CCCCN([O-])C(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C ZINC000900682677 735679415 /nfs/dbraw/zinc/67/94/15/735679415.db2.gz NUKMVMVIQZDRCV-LBPRGKRZSA-N -1 3 352.435 2.874 20 30 FFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000903129172 736037417 /nfs/dbraw/zinc/03/74/17/736037417.db2.gz RBPHUTUCLGWCLS-CYBMUJFWSA-N -1 3 361.236 2.700 20 30 FFEDHM O=C(c1ccoc1C1(O)CCOCC1)N([O-])Cc1ccccc1Cl ZINC000904193094 736232200 /nfs/dbraw/zinc/23/22/00/736232200.db2.gz KWKKFXRCZKTINH-UHFFFAOYSA-N -1 3 351.786 2.963 20 30 FFEDHM Cc1cc(Cn2nnc(C(=O)N([O-])Cc3ccccc3Cl)c2C)on1 ZINC000904193615 736232457 /nfs/dbraw/zinc/23/24/57/736232457.db2.gz RACNJYRMQQNSLF-UHFFFAOYSA-N -1 3 361.789 2.616 20 30 FFEDHM CC(=NNC(=S)NC[C@H]1CCCO1)c1ccc(Br)cc1[O-] ZINC000756822882 736364706 /nfs/dbraw/zinc/36/47/06/736364706.db2.gz BVXJCFGTHLQMEY-LLVKDONJSA-N -1 3 372.288 2.522 20 30 FFEDHM COc1ccc(CN=Nc2cc(Cl)nc(N)n2)c(Br)c1[O-] ZINC000761010903 736687852 /nfs/dbraw/zinc/68/78/52/736687852.db2.gz FEXRTLLWGGJVSN-UHFFFAOYSA-N -1 3 372.610 2.635 20 30 FFEDHM COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)c1[O-] ZINC000761012280 736687880 /nfs/dbraw/zinc/68/78/80/736687880.db2.gz MQGIMBJMXZNDAN-UHFFFAOYSA-N -1 3 367.159 2.913 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000910272859 737051374 /nfs/dbraw/zinc/05/13/74/737051374.db2.gz XKYDIKOVDVHCSN-MRXNPFEDSA-N -1 3 350.846 2.998 20 30 FFEDHM COc1cc(C=NNCCOCC(F)(F)F)cc(Br)c1[O-] ZINC000765597556 737136819 /nfs/dbraw/zinc/13/68/19/737136819.db2.gz AUTPUVFGJLCGNE-UHFFFAOYSA-N -1 3 371.153 2.666 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000911277622 737187732 /nfs/dbraw/zinc/18/77/32/737187732.db2.gz ZAQMQXGKYZYFRN-QWRGUYRKSA-N -1 3 353.444 2.811 20 30 FFEDHM COc1cccc(S(C)(=O)=O)c1NN=Cc1c([O-])cccc1Cl ZINC000767392413 737321062 /nfs/dbraw/zinc/32/10/62/737321062.db2.gz VBXZENZFBWADAF-UHFFFAOYSA-N -1 3 354.815 2.904 20 30 FFEDHM C#C[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000769645273 737549366 /nfs/dbraw/zinc/54/93/66/737549366.db2.gz YAPIPOHGESJLDI-ZDUSSCGKSA-N -1 3 360.410 2.720 20 30 FFEDHM Cc1c(Cl)cccc1NC(=S)NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000915942468 737666052 /nfs/dbraw/zinc/66/60/52/737666052.db2.gz UYVUHCIHKVLQHD-UHFFFAOYSA-N -1 3 360.826 2.997 20 30 FFEDHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000920554968 737914258 /nfs/dbraw/zinc/91/42/58/737914258.db2.gz PKXMKMXAHPXBSA-GOSISDBHSA-N -1 3 356.447 2.944 20 30 FFEDHM C[C@@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000776279416 738177520 /nfs/dbraw/zinc/17/75/20/738177520.db2.gz JNAHSVMWFRAQBL-LLVKDONJSA-N -1 3 358.781 2.951 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC1(C)CC1 ZINC000790807327 739497939 /nfs/dbraw/zinc/49/79/39/739497939.db2.gz HZDRZMRKKXORQF-AWEZNQCLSA-N -1 3 364.467 2.627 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(OC)c(Cl)c1 ZINC000793124689 739741978 /nfs/dbraw/zinc/74/19/78/739741978.db2.gz MOZXLBGDVJRYQV-LLVKDONJSA-N -1 3 359.769 2.713 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)c(Cl)c2)c1 ZINC000793125419 739742095 /nfs/dbraw/zinc/74/20/95/739742095.db2.gz POJMCHOINXPAPP-ZDUSSCGKSA-N -1 3 359.769 2.713 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C3CCCC3)C2)ccc1F ZINC000794196413 739861968 /nfs/dbraw/zinc/86/19/68/739861968.db2.gz MOAQZJLUBHARLU-UHFFFAOYSA-N -1 3 366.458 2.552 20 30 FFEDHM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c(F)ccc([O-])c1F ZINC000794489377 739897641 /nfs/dbraw/zinc/89/76/41/739897641.db2.gz VOOKBUCSLFKKJO-UHFFFAOYSA-N -1 3 354.382 2.524 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cs1 ZINC000796813308 740186340 /nfs/dbraw/zinc/18/63/40/740186340.db2.gz XAXZCWYEOPAOKP-HNNXBMFYSA-N -1 3 355.419 2.720 20 30 FFEDHM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187037 741491917 /nfs/dbraw/zinc/49/19/17/741491917.db2.gz HWIDEPHACMGSNU-UHFFFAOYSA-N -1 3 364.810 2.794 20 30 FFEDHM C[C@@H](CC(=O)OCCCCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813179994 741685549 /nfs/dbraw/zinc/68/55/49/741685549.db2.gz ICGIPNXUIYXJAT-ZDUSSCGKSA-N -1 3 364.467 2.627 20 30 FFEDHM CC1(C)CC(=N[N-]S(=O)(=O)Cc2ccccc2)c2cc(N)ccc2O1 ZINC000814816814 741867503 /nfs/dbraw/zinc/86/75/03/741867503.db2.gz XNPVRTNHGCYYPS-UHFFFAOYSA-N -1 3 359.451 2.654 20 30 FFEDHM Cc1c[nH]nc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000814829751 741868768 /nfs/dbraw/zinc/86/87/68/741868768.db2.gz INZWDLKNVSJCDN-UHFFFAOYSA-N -1 3 355.423 2.965 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000816756518 742058770 /nfs/dbraw/zinc/05/87/70/742058770.db2.gz YWLGNSXNZMGHTE-NSHDSACASA-N -1 3 357.391 2.666 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000816755641 742058928 /nfs/dbraw/zinc/05/89/28/742058928.db2.gz FKWYBAUSLFWIOV-SNVBAGLBSA-N -1 3 370.249 2.834 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000816754490 742058993 /nfs/dbraw/zinc/05/89/93/742058993.db2.gz GCGPQEZPGPRYLJ-LLVKDONJSA-N -1 3 351.815 2.574 20 30 FFEDHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820144544 742467493 /nfs/dbraw/zinc/46/74/93/742467493.db2.gz XMPWYFPHYPDDOC-JTQLQIEISA-N -1 3 370.192 2.677 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000820179087 742471320 /nfs/dbraw/zinc/47/13/20/742471320.db2.gz FYBCRDGVSVWGND-SNVBAGLBSA-N -1 3 372.233 2.837 20 30 FFEDHM COc1cccc(S([O-])=CC(=O)OC[C@@H](C#N)Cc2ccccc2)c1 ZINC000820213284 742476208 /nfs/dbraw/zinc/47/62/08/742476208.db2.gz MJMWHQBNORPPTG-CPJLOUKISA-N -1 3 357.431 2.728 20 30 FFEDHM C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001021118082 742577155 /nfs/dbraw/zinc/57/71/55/742577155.db2.gz YRDDPGYWFTYAQI-DZGCQCFKSA-N -1 3 362.857 2.844 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1snc(Cl)c1C#N ZINC001043063998 743129923 /nfs/dbraw/zinc/12/99/23/743129923.db2.gz GMVBJMNEYQIBLK-BXKDBHETSA-N -1 3 362.842 2.946 20 30 FFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)[C@H]1CCCO1 ZINC000828852055 745126952 /nfs/dbraw/zinc/12/69/52/745126952.db2.gz KBAJBBZJLDETCO-CHWSQXEVSA-N -1 3 358.182 2.838 20 30 FFEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c2c1CCCC2 ZINC000835062332 745942102 /nfs/dbraw/zinc/94/21/02/745942102.db2.gz BHNKDDCTHKNAJS-GFCCVEGCSA-N -1 3 356.813 2.913 20 30 FFEDHM C=CCC1(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CCCC1 ZINC000836990071 746343245 /nfs/dbraw/zinc/34/32/45/746343245.db2.gz ACBMXPKTBZEXAE-UHFFFAOYSA-N -1 3 354.447 2.600 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CC=CCC2)ccc1F ZINC000838314273 746617391 /nfs/dbraw/zinc/61/73/91/746617391.db2.gz BDOSVCBFZZYVNH-KRWDZBQOSA-N -1 3 352.431 2.519 20 30 FFEDHM C[C@@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(F)c(Br)c1 ZINC000848131871 748850239 /nfs/dbraw/zinc/85/02/39/748850239.db2.gz FFPQPOHEXDMCON-ZANVPECISA-N -1 3 373.222 2.578 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc2cccc(Br)c21 ZINC000848132509 748850284 /nfs/dbraw/zinc/85/02/84/748850284.db2.gz MPVPHFZSBMVSBV-ZDUSSCGKSA-N -1 3 363.211 2.712 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc2cccc(Br)c21 ZINC000848132506 748850462 /nfs/dbraw/zinc/85/04/62/748850462.db2.gz MPVPHFZSBMVSBV-CYBMUJFWSA-N -1 3 363.211 2.712 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000849412314 749140268 /nfs/dbraw/zinc/14/02/68/749140268.db2.gz KXFNXBXKDFDFNY-NEPJUHHUSA-N -1 3 372.874 2.935 20 30 FFEDHM C=CC(C)(C)CCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000851299260 749558924 /nfs/dbraw/zinc/55/89/24/749558924.db2.gz DZKAGIKJWLHSFW-CYBMUJFWSA-N -1 3 364.467 2.649 20 30 FFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccncc2)s1 ZINC000819718418 945274689 /nfs/dbraw/zinc/27/46/89/945274689.db2.gz GCWVTEPUKVWGES-UHFFFAOYSA-N -1 3 362.422 2.509 20 30 FFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccncc2)s1 ZINC000819718418 945274696 /nfs/dbraw/zinc/27/46/96/945274696.db2.gz GCWVTEPUKVWGES-UHFFFAOYSA-N -1 3 362.422 2.509 20 30 FFEDHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736055978 944734571 /nfs/dbraw/zinc/73/45/71/944734571.db2.gz KJCCLLAZSYCQJC-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736055978 944734578 /nfs/dbraw/zinc/73/45/78/944734578.db2.gz KJCCLLAZSYCQJC-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM Cc1cc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000737262724 945024177 /nfs/dbraw/zinc/02/41/77/945024177.db2.gz FVMHQIXDUHKQBU-UHFFFAOYSA-N -1 3 374.433 2.865 20 30 FFEDHM Cc1cc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000737262724 945024189 /nfs/dbraw/zinc/02/41/89/945024189.db2.gz FVMHQIXDUHKQBU-UHFFFAOYSA-N -1 3 374.433 2.865 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccn1 ZINC000822015330 945921237 /nfs/dbraw/zinc/92/12/37/945921237.db2.gz IMUFJGOALVLEMN-YFHOEESVSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccn1 ZINC000822015330 945921247 /nfs/dbraw/zinc/92/12/47/945921247.db2.gz IMUFJGOALVLEMN-YFHOEESVSA-N -1 3 357.377 2.652 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000823903796 946511988 /nfs/dbraw/zinc/51/19/88/946511988.db2.gz LBIIHCPSWVFIDI-UHFFFAOYSA-N -1 3 368.397 2.731 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000823903796 946511994 /nfs/dbraw/zinc/51/19/94/946511994.db2.gz LBIIHCPSWVFIDI-UHFFFAOYSA-N -1 3 368.397 2.731 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573293464 946957421 /nfs/dbraw/zinc/95/74/21/946957421.db2.gz XCFWBJQGNUIBKH-UHFFFAOYSA-N -1 3 369.473 2.562 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573293464 946957430 /nfs/dbraw/zinc/95/74/30/946957430.db2.gz XCFWBJQGNUIBKH-UHFFFAOYSA-N -1 3 369.473 2.562 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573328700 947411275 /nfs/dbraw/zinc/41/12/75/947411275.db2.gz AAQZVQNEWBPDCT-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573328700 947411281 /nfs/dbraw/zinc/41/12/81/947411281.db2.gz AAQZVQNEWBPDCT-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCCC(=O)NC[C@@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573335313 947474946 /nfs/dbraw/zinc/47/49/46/947474946.db2.gz XHHCPRGWUVJUKM-GFCCVEGCSA-N -1 3 363.491 2.541 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc2c(c1)CCO2 ZINC000728771772 971444650 /nfs/dbraw/zinc/44/46/50/971444650.db2.gz MCAMNWBOHORDGS-UHFFFAOYSA-N -1 3 352.390 2.887 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCc1ccc(C#N)s1 ZINC001575504891 949093317 /nfs/dbraw/zinc/09/33/17/949093317.db2.gz WEIXSYFREFEMFJ-LLVKDONJSA-N -1 3 367.438 2.702 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCc1ccc(C#N)s1 ZINC001575504891 949093332 /nfs/dbraw/zinc/09/33/32/949093332.db2.gz WEIXSYFREFEMFJ-LLVKDONJSA-N -1 3 367.438 2.702 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC001594367540 958502472 /nfs/dbraw/zinc/50/24/72/958502472.db2.gz UIEJOQWZVGFHLD-SOLBZPMBSA-N -1 3 357.454 2.673 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC001594367672 958503919 /nfs/dbraw/zinc/50/39/19/958503919.db2.gz WKYMAUUWDANYDI-IAGOWNOFSA-N -1 3 357.454 2.817 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCc2ccc(F)nc2)c(C)c1[O-] ZINC001175381780 1013464924 /nfs/dbraw/zinc/46/49/24/1013464924.db2.gz PHAYFDUIFGJQGJ-UHFFFAOYSA-N -1 3 371.368 2.854 20 30 FFEDHM COc1ccc([C@@H]2CCN(CC#N)C[C@@H]2NC(=O)c2ccccc2[O-])cc1 ZINC001087472102 965415485 /nfs/dbraw/zinc/41/54/85/965415485.db2.gz NBJNDMVMZYUTKH-HKUYNNGSSA-N -1 3 365.433 2.512 20 30 FFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(OCC)cc1[O-] ZINC001271002581 967935020 /nfs/dbraw/zinc/93/50/20/967935020.db2.gz WKMVIYYJUQJQDO-IAGOWNOFSA-N -1 3 358.438 2.573 20 30 FFEDHM O=C1[C@@H](NCc2cc3ccccc3nc2N2CCCCC2)CCCN1[O-] ZINC000895167662 968050611 /nfs/dbraw/zinc/05/06/11/968050611.db2.gz ZXERYQHCMOLSRQ-SFHVURJKSA-N -1 3 354.454 2.695 20 30 FFEDHM N#Cc1cc(F)ccc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000728623533 969227388 /nfs/dbraw/zinc/22/73/88/969227388.db2.gz JATSUKBFDMTLIH-QGZVFWFLSA-N -1 3 368.364 2.751 20 30 FFEDHM C=C[C@H](C)ONC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875699913 1014063981 /nfs/dbraw/zinc/06/39/81/1014063981.db2.gz BWHHPTJUECASNV-RYUDHWBXSA-N -1 3 371.359 2.875 20 30 FFEDHM O=C(c1cn(Cc2ccccn2)nn1)N([O-])CCCCc1ccccc1 ZINC000904197308 980213201 /nfs/dbraw/zinc/21/32/01/980213201.db2.gz ZNPZLGCDTRVVBM-UHFFFAOYSA-N -1 3 351.410 2.576 20 30 FFEDHM CN(CCC#N)c1ccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000877774154 1014723149 /nfs/dbraw/zinc/72/31/49/1014723149.db2.gz HXXQQNZBKANXMZ-KRWDZBQOSA-N -1 3 368.403 2.679 20 30 FFEDHM N#Cc1ccc(C2(C(=O)N3CC[C@H](c4cc(=O)[nH][n-]4)C3)CCCC2)cc1 ZINC000898225453 982656197 /nfs/dbraw/zinc/65/61/97/982656197.db2.gz FGVOWCYWSAPWPJ-HNNXBMFYSA-N -1 3 350.422 2.815 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCOc2cccc(C#N)c2)cc1 ZINC000763886513 983911440 /nfs/dbraw/zinc/91/14/40/983911440.db2.gz CFQLIILSLXQUPL-UHFFFAOYSA-N -1 3 374.418 2.556 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC000911856077 983913158 /nfs/dbraw/zinc/91/31/58/983913158.db2.gz TYHTZCSKRJOGKL-PKYBCLHXSA-N -1 3 369.421 2.718 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)[nH]n2)cc1 ZINC000916941766 990062139 /nfs/dbraw/zinc/06/21/39/990062139.db2.gz CCJNJVMJBSVZJW-AWEZNQCLSA-N -1 3 368.393 2.671 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1ccccc1 ZINC000918487103 990407371 /nfs/dbraw/zinc/40/73/71/990407371.db2.gz JVHHPLVZAGPWAK-QGZVFWFLSA-N -1 3 359.389 2.845 20 30 FFEDHM Cc1nc(C)c(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)c(=O)[n-]1 ZINC000075816247 991359322 /nfs/dbraw/zinc/35/93/22/991359322.db2.gz KQJWLOVOXSTYQB-UHFFFAOYSA-N -1 3 357.413 2.968 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC(=C)CC2)ccc1F ZINC001133313800 995451343 /nfs/dbraw/zinc/45/13/43/995451343.db2.gz BVTMHPAKUNZRBI-UHFFFAOYSA-N -1 3 366.458 2.766 20 30 FFEDHM N#Cc1cc([N-]C(=O)c2cn(-c3ccccc3)nn2)c(Cl)c([N+](=O)[O-])c1 ZINC000746482249 999997740 /nfs/dbraw/zinc/99/77/40/999997740.db2.gz QHRAVDDEBAJMTJ-UHFFFAOYSA-N -1 3 368.740 2.953 20 30 FFEDHM CCOC([O-])=NC(=S)Nc1ncccc1NC=CC(=O)C(F)(F)F ZINC001169480388 1000050606 /nfs/dbraw/zinc/05/06/06/1000050606.db2.gz FFUKTRRXLFCJOF-FNORWQNLSA-N -1 3 362.333 2.582 20 30 FFEDHM CCOC(=O)[N-]C(=S)Nc1ncccc1NC=CC(=O)C(F)(F)F ZINC001169480388 1000050608 /nfs/dbraw/zinc/05/06/08/1000050608.db2.gz FFUKTRRXLFCJOF-FNORWQNLSA-N -1 3 362.333 2.582 20 30 FFEDHM N#CC[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001129372488 1000129069 /nfs/dbraw/zinc/12/90/69/1000129069.db2.gz JXNGEEHEOPBUBM-ZFWWWQNUSA-N -1 3 367.371 2.601 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144647024 1000188190 /nfs/dbraw/zinc/18/81/90/1000188190.db2.gz VUNZIBKMEUXVNC-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1Cc2ccccc2C1=O ZINC000769971487 1000638458 /nfs/dbraw/zinc/63/84/58/1000638458.db2.gz NONCCYPDEAEULM-QGZVFWFLSA-N -1 3 350.374 2.559 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cn(C)nc1C(F)F ZINC000770330553 1000750248 /nfs/dbraw/zinc/75/02/48/1000750248.db2.gz OHOPJYFOIYOJLR-UHFFFAOYSA-N -1 3 364.352 2.623 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2C[C@]23CCCOC3)c(C)c1[O-] ZINC001183720865 1002363391 /nfs/dbraw/zinc/36/33/91/1002363391.db2.gz ATOMMYNPWXVOQJ-LIRRHRJNSA-N -1 3 358.394 2.504 20 30 FFEDHM C=CCOC(=O)N1CCC(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)CC1 ZINC000790839644 1002496004 /nfs/dbraw/zinc/49/60/04/1002496004.db2.gz GKLFMZSSJKLUBQ-UHFFFAOYSA-N -1 3 359.382 2.922 20 30 FFEDHM C=CCOC(=O)N1CCC(OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)CC1 ZINC000790839644 1002496010 /nfs/dbraw/zinc/49/60/10/1002496010.db2.gz GKLFMZSSJKLUBQ-UHFFFAOYSA-N -1 3 359.382 2.922 20 30 FFEDHM N#Cc1c(Cl)cc(C(=O)Nc2ccccc2-c2nnn[n-]2)nc1Cl ZINC001184807757 1002716432 /nfs/dbraw/zinc/71/64/32/1002716432.db2.gz GSQPRBDMELEMAY-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1c(Cl)cc(C(=O)Nc2ccccc2-c2nn[n-]n2)nc1Cl ZINC001184807757 1002716436 /nfs/dbraw/zinc/71/64/36/1002716436.db2.gz GSQPRBDMELEMAY-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000747032351 1002769682 /nfs/dbraw/zinc/76/96/82/1002769682.db2.gz FCNVZXQVYQIRCY-GIXVCVOKSA-N -1 3 370.327 2.639 20 30 FFEDHM CC(C)c1ccc([C@@H](NC(=O)Cn2ccc(C=N[O-])nc2=O)C(C)C)cc1 ZINC000774821393 1002808210 /nfs/dbraw/zinc/80/82/10/1002808210.db2.gz PSMYEBLRKXWAPR-IBGZPJMESA-N -1 3 370.453 2.688 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(C#N)c1F ZINC000774909043 1003010848 /nfs/dbraw/zinc/01/08/48/1003010848.db2.gz SDLQMRAXUVFALQ-UHFFFAOYSA-N -1 3 353.353 2.963 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(/C=C/C(=O)OC)c2)cc1 ZINC001197114306 1004089276 /nfs/dbraw/zinc/08/92/76/1004089276.db2.gz DMBADYZNTUGZPF-KPKJPENVSA-N -1 3 371.414 2.686 20 30 FFEDHM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3cccc(C#N)c3)on2)cc1 ZINC001192365411 1004143393 /nfs/dbraw/zinc/14/33/93/1004143393.db2.gz CXQGINMUJNVZHU-UHFFFAOYSA-N -1 3 369.402 2.700 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccnnc2Cl)ccc1Br ZINC001197282428 1004163080 /nfs/dbraw/zinc/16/30/80/1004163080.db2.gz ZKOIOZHJCYVLDT-UHFFFAOYSA-N -1 3 373.619 2.565 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C)nc(Cl)n2)c(C)c1[O-] ZINC001192815463 1004286854 /nfs/dbraw/zinc/28/68/54/1004286854.db2.gz BYJUXULRLWLLOS-UHFFFAOYSA-N -1 3 374.784 2.753 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nccn2C(C)C)c(C)c1[O-] ZINC001199412391 1004935541 /nfs/dbraw/zinc/93/55/41/1004935541.db2.gz XFKINUORBXXMNY-UHFFFAOYSA-N -1 3 356.382 2.779 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)c(C)cc1O ZINC001195377669 1004955828 /nfs/dbraw/zinc/95/58/28/1004955828.db2.gz MTUAYPNNJGGWSX-LBPRGKRZSA-N -1 3 374.418 2.915 20 30 FFEDHM C=CCSc1ncccc1C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001199738324 1005017557 /nfs/dbraw/zinc/01/75/57/1005017557.db2.gz FFBHEVIAZPTDNP-UHFFFAOYSA-N -1 3 354.391 2.966 20 30 FFEDHM COC(=O)c1cc(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c[n-]1 ZINC000814529210 1006332596 /nfs/dbraw/zinc/33/25/96/1006332596.db2.gz UZOIPFNGIBDOSU-UHFFFAOYSA-N -1 3 364.361 2.524 20 30 FFEDHM N#Cc1cc(NS(=O)(=O)Cc2cccc(Br)c2)ccc1[O-] ZINC001188684590 1006676172 /nfs/dbraw/zinc/67/61/72/1006676172.db2.gz UBZVQLHEDSEXBJ-UHFFFAOYSA-N -1 3 367.224 2.968 20 30 FFEDHM N#Cc1ccc(C(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)o1 ZINC000815546336 1006691926 /nfs/dbraw/zinc/69/19/26/1006691926.db2.gz HBWALYVAIQSYMP-UHFFFAOYSA-N -1 3 365.345 2.622 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)nc1 ZINC000815907545 1006819896 /nfs/dbraw/zinc/81/98/96/1006819896.db2.gz DHJYDHBKVAYAFE-INIZCTEOSA-N -1 3 365.389 2.782 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1 ZINC000815906693 1006820625 /nfs/dbraw/zinc/82/06/25/1006820625.db2.gz GUDWHJBTICGCRT-AWEZNQCLSA-N -1 3 371.780 2.873 20 30 FFEDHM N#Cc1ccncc1N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000816995651 1007311058 /nfs/dbraw/zinc/31/10/58/1007311058.db2.gz YTISBAVDDDJYEK-UHFFFAOYSA-N -1 3 364.430 2.836 20 30 FFEDHM COc1nc(S(=O)(=O)[N-][C@](C)(C#N)c2ccccc2Cl)ccc1F ZINC001190117679 1007480484 /nfs/dbraw/zinc/48/04/84/1007480484.db2.gz FRNYKEZHFYYQQB-OAHLLOKOSA-N -1 3 369.805 2.600 20 30 FFEDHM CCOc1ncc(Br)cc1C(=O)[N-]c1oc(C)nc1C#N ZINC001190458052 1007652255 /nfs/dbraw/zinc/65/22/55/1007652255.db2.gz ZZCPPRUAGQDHBQ-UHFFFAOYSA-N -1 3 351.160 2.663 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(Cl)s1 ZINC001190615863 1007703339 /nfs/dbraw/zinc/70/33/39/1007703339.db2.gz DJVXJOQGCQKGMF-UHFFFAOYSA-N -1 3 374.802 3.000 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c1 ZINC001190662606 1007722191 /nfs/dbraw/zinc/72/21/91/1007722191.db2.gz JXCVZIWYIQIZDQ-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCOc2cccc3cccnc32)c1 ZINC001190669001 1007724222 /nfs/dbraw/zinc/72/42/22/1007724222.db2.gz DUGHSOOBGGIZFV-UHFFFAOYSA-N -1 3 371.393 2.603 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)[C@H](O)c1ccc(Cl)cc1 ZINC001190670502 1007725579 /nfs/dbraw/zinc/72/55/79/1007725579.db2.gz LIKXGXCUMXNWKK-HWPZZCPQSA-N -1 3 368.817 2.751 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C(C)(C)C ZINC001190677353 1007746559 /nfs/dbraw/zinc/74/65/59/1007746559.db2.gz RIKWNRDRLPDULA-CQSZACIVSA-N -1 3 370.446 2.732 20 30 FFEDHM COc1ccc(F)c(F)c1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190989054 1007863022 /nfs/dbraw/zinc/86/30/22/1007863022.db2.gz PBXFWHDGAFFHMK-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM N#Cc1cnn2c1ncc(C#N)c2[N-]C(=O)c1nc(-c2ccccc2)cs1 ZINC001191040142 1007871124 /nfs/dbraw/zinc/87/11/24/1007871124.db2.gz RYBSWROOHIIDER-UHFFFAOYSA-N -1 3 371.385 2.848 20 30 FFEDHM C[C@@H](Oc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1)c1ccccc1 ZINC000820477418 1008339201 /nfs/dbraw/zinc/33/92/01/1008339201.db2.gz YNOYAMDKJZHPAK-KDOFPFPSSA-N -1 3 354.406 2.937 20 30 FFEDHM CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820477316 1008339226 /nfs/dbraw/zinc/33/92/26/1008339226.db2.gz XJDJWEFGQJGDGS-MRXNPFEDSA-N -1 3 369.421 2.544 20 30 FFEDHM O=C(Nc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)s1)Nc1ccccc1 ZINC000820482219 1008339769 /nfs/dbraw/zinc/33/97/69/1008339769.db2.gz GMWLDTVFFNVRDW-GFCCVEGCSA-N -1 3 374.422 2.502 20 30 FFEDHM COC(=O)c1cc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c([O-])c(OC)c1 ZINC001179886600 1009491232 /nfs/dbraw/zinc/49/12/32/1009491232.db2.gz NLCBVTUQAHZNSJ-MHTRZOGVSA-N -1 3 358.394 2.846 20 30 FFEDHM CCN(CC)CC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001180385692 1009657368 /nfs/dbraw/zinc/65/73/68/1009657368.db2.gz WNJKFRCEOAMLSR-VCHYOVAHSA-N -1 3 359.455 2.502 20 30 FFEDHM CC[C@@H]1[C@@H](/N=C\c2c([O-])c(C)ncc2CO)CCN1C(=O)OC(C)(C)C ZINC000864346063 1010452786 /nfs/dbraw/zinc/45/27/86/1010452786.db2.gz NBGKJKISWISPBA-WIUXZARBSA-N -1 3 363.458 2.795 20 30 FFEDHM N#CCCCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868492257 1011334844 /nfs/dbraw/zinc/33/48/44/1011334844.db2.gz ROKVULRMZDSFIL-GFCCVEGCSA-N -1 3 368.359 2.672 20 30 FFEDHM C#C[C@@H](CC)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868538304 1011358175 /nfs/dbraw/zinc/35/81/75/1011358175.db2.gz RUSRGIAEROARKH-STQMWFEESA-N -1 3 367.371 2.780 20 30 FFEDHM N#CCCCN1CCC2(CCN(Cc3ccc([O-])c(F)c3F)CC2)C1=O ZINC001275351369 1012350265 /nfs/dbraw/zinc/35/02/65/1012350265.db2.gz OVJQRGUUBJXDMV-UHFFFAOYSA-N -1 3 363.408 2.789 20 30 FFEDHM N#Cc1cccc(O[N-]C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000870693895 1012528969 /nfs/dbraw/zinc/52/89/69/1012528969.db2.gz YARCGJCPRJDKGV-UHFFFAOYSA-N -1 3 366.373 2.793 20 30 FFEDHM Cc1nc(N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@@H]3C2)ccc1C#N ZINC001049220333 1020800163 /nfs/dbraw/zinc/80/01/63/1020800163.db2.gz FCUCMEHIASVIMR-SJORKVTESA-N -1 3 362.433 2.566 20 30 FFEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(OC[C@H]2CNCCO2)c1 ZINC001218176528 1033031596 /nfs/dbraw/zinc/03/15/96/1033031596.db2.gz JFPKFUQJEDXHBK-IWAYRVGRSA-N -1 3 369.417 2.664 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C(F)(F)F ZINC001490934430 1023013274 /nfs/dbraw/zinc/01/32/74/1023013274.db2.gz DAHBRJUOKUSAJT-ZIAGYGMSSA-N -1 3 370.371 2.868 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001122490783 1023301529 /nfs/dbraw/zinc/30/15/29/1023301529.db2.gz UOQWMPOOOKNYNH-VIFPVBQESA-N -1 3 357.796 2.917 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001122490783 1023301534 /nfs/dbraw/zinc/30/15/34/1023301534.db2.gz UOQWMPOOOKNYNH-VIFPVBQESA-N -1 3 357.796 2.917 20 30 FFEDHM COc1cc(C(=O)OCCCOc2cccc(C#N)c2)cc(OC)c1[O-] ZINC000754272843 1023448402 /nfs/dbraw/zinc/44/84/02/1023448402.db2.gz XCUUOADVGSQOMJ-UHFFFAOYSA-N -1 3 357.362 2.907 20 30 FFEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCCO1 ZINC001122811284 1023487450 /nfs/dbraw/zinc/48/74/50/1023487450.db2.gz OKSOAWYZTSXJEQ-KGLIPLIRSA-N -1 3 359.430 2.753 20 30 FFEDHM O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1N=Cc1ccc([O-])cn1 ZINC000755608101 1023614333 /nfs/dbraw/zinc/61/43/33/1023614333.db2.gz JACCEVZADJHRDV-UHFFFAOYSA-N -1 3 372.384 2.617 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@@H]4COC[C@@]4(C)C3)n2C)c1[O-] ZINC001121438994 1023776998 /nfs/dbraw/zinc/77/69/98/1023776998.db2.gz UOIMVMUSSDFAGX-FOIQADDNSA-N -1 3 354.454 2.779 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC001121602555 1023874804 /nfs/dbraw/zinc/87/48/04/1023874804.db2.gz UWRFADPLXUIGNI-SMDDNHRTSA-N -1 3 358.421 2.688 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C)[C@@H](F)C1 ZINC001121602553 1023875053 /nfs/dbraw/zinc/87/50/53/1023875053.db2.gz UWRFADPLXUIGNI-RISCZKNCSA-N -1 3 358.421 2.688 20 30 FFEDHM C#CCN(c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC)[C@@H]1CCc2ccccc21 ZINC001121666270 1023914234 /nfs/dbraw/zinc/91/42/34/1023914234.db2.gz NVELLGPPLGQFBR-GOSISDBHSA-N -1 3 374.448 2.896 20 30 FFEDHM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1nnc2n1CCCCC2 ZINC000193526135 1024559293 /nfs/dbraw/zinc/55/92/93/1024559293.db2.gz BRSUQHIQHWTWIS-BOLDSZDNSA-N -1 3 358.405 2.837 20 30 FFEDHM CC1(C)C[C@]1(C#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001141609552 1026666163 /nfs/dbraw/zinc/66/61/63/1026666163.db2.gz NCEIZDBWEZYKCP-MRXNPFEDSA-N -1 3 360.211 2.713 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]c1nccnc1C1SCCCS1 ZINC001158965828 1027210419 /nfs/dbraw/zinc/21/04/19/1027210419.db2.gz YVYXRMUZJVCCGA-UHFFFAOYSA-N -1 3 362.440 2.772 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001160176345 1027624477 /nfs/dbraw/zinc/62/44/77/1027624477.db2.gz NERBWKPONWQIJR-FFWSUHOLSA-N -1 3 360.575 2.917 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2ccccc2nc1N1CCCC[C@H]1C ZINC001160176677 1027624679 /nfs/dbraw/zinc/62/46/79/1027624679.db2.gz YZSOYNPFNKQNJZ-ZENOOKHLSA-N -1 3 355.442 2.657 20 30 FFEDHM O=C(C1CCC2(CC2)CC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161801758 1028317924 /nfs/dbraw/zinc/31/79/24/1028317924.db2.gz BWURMAXHJPHNCB-UHFFFAOYSA-N -1 3 356.422 2.861 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[n-]n1 ZINC001162885473 1028696490 /nfs/dbraw/zinc/69/64/90/1028696490.db2.gz RKQSWUNNCAUKAJ-UONOGXRCSA-N -1 3 352.394 2.979 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n[n-]1 ZINC001162885473 1028696495 /nfs/dbraw/zinc/69/64/95/1028696495.db2.gz RKQSWUNNCAUKAJ-UONOGXRCSA-N -1 3 352.394 2.979 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001157818781 1029669040 /nfs/dbraw/zinc/66/90/40/1029669040.db2.gz WJPMJTSTXAMFFB-UHFFFAOYSA-N -1 3 365.430 2.897 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001142901096 1031017411 /nfs/dbraw/zinc/01/74/11/1031017411.db2.gz RJPWKMOSZSUOOX-LLVKDONJSA-N -1 3 356.382 2.643 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001142901096 1031017428 /nfs/dbraw/zinc/01/74/28/1031017428.db2.gz RJPWKMOSZSUOOX-LLVKDONJSA-N -1 3 356.382 2.643 20 30 FFEDHM COc1ccccc1CO[N-]C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000799095501 1031646951 /nfs/dbraw/zinc/64/69/51/1031646951.db2.gz BIESDGZJQSMAOL-UHFFFAOYSA-N -1 3 367.405 2.924 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3[nH]cnc3c2)c(C)c1[O-] ZINC001151093196 1031855954 /nfs/dbraw/zinc/85/59/54/1031855954.db2.gz DAALUJSZRQLXBR-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM C#CCN1CC[C@]2(CCCN(Cc3ccc(C(=O)[O-])cc3C)CC2)C1=O ZINC001277048001 1034271175 /nfs/dbraw/zinc/27/11/75/1034271175.db2.gz DSIXCGVQLFSSMO-OAQYLSRUSA-N -1 3 354.450 2.531 20 30 FFEDHM N#Cc1c(C(F)(F)F)cc(=O)[n-]c1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001226064656 1034510255 /nfs/dbraw/zinc/51/02/55/1034510255.db2.gz OIWRXNKZNKSSGQ-HAQNSBGRSA-N -1 3 371.359 2.700 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226117383 1034533059 /nfs/dbraw/zinc/53/30/59/1034533059.db2.gz MUFVKLJVTCLFDR-AAEUAGOBSA-N -1 3 362.455 2.781 20 30 FFEDHM C[C@@H](Oc1nccc(/C=N/[O-])n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001226252959 1034595459 /nfs/dbraw/zinc/59/54/59/1034595459.db2.gz CHKPXHOQBKTQSJ-ZGXHQARYSA-N -1 3 350.419 2.699 20 30 FFEDHM CC[C@H](C#CC(=O)OC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226385857 1034663193 /nfs/dbraw/zinc/66/31/93/1034663193.db2.gz VDVROSBNEDQMCY-GFCCVEGCSA-N -1 3 364.353 2.501 20 30 FFEDHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@@H](C#N)N(C(=O)OC(C)(C)C)C2)c1O ZINC001226482150 1034708010 /nfs/dbraw/zinc/70/80/10/1034708010.db2.gz JZZRLYZPABCTSB-NWDGAFQWSA-N -1 3 362.382 2.581 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C(C)C)n2)cc1OC ZINC000835064102 1035500173 /nfs/dbraw/zinc/50/01/73/1035500173.db2.gz BHNBMJBBYHTNGZ-AWEZNQCLSA-N -1 3 370.409 2.751 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Oc1cc(C#N)ccc1[O-])CCO2 ZINC001227346116 1035513652 /nfs/dbraw/zinc/51/36/52/1035513652.db2.gz RRTMXAUWNQRXDP-AWEZNQCLSA-N -1 3 360.410 2.811 20 30 FFEDHM CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H](Oc3cc(C#N)ccc3[O-])CC[C@@H]21 ZINC001227346959 1035514476 /nfs/dbraw/zinc/51/44/76/1035514476.db2.gz YIJOLUFPNFOQHU-JLJPHGGASA-N -1 3 360.410 2.810 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c2c(ccc1F)OCO2 ZINC001536280537 1069947116 /nfs/dbraw/zinc/94/71/16/1069947116.db2.gz OILCONYSXXURHX-UHFFFAOYSA-N -1 3 357.341 2.715 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)[C@@H](F)C1 ZINC001234511233 1037067469 /nfs/dbraw/zinc/06/74/69/1037067469.db2.gz MBBMWHRFYQDXKZ-WCQYABFASA-N -1 3 374.372 2.543 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)C[C@H]1C#N ZINC001231073838 1037456556 /nfs/dbraw/zinc/45/65/56/1037456556.db2.gz KBJBIMVXDSQQBL-WDEREUQCSA-N -1 3 374.372 2.755 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118301 1037477795 /nfs/dbraw/zinc/47/77/95/1037477795.db2.gz KXUKWWZJNIIRLG-HNNXBMFYSA-N -1 3 357.414 2.811 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118301 1037477799 /nfs/dbraw/zinc/47/77/99/1037477799.db2.gz KXUKWWZJNIIRLG-HNNXBMFYSA-N -1 3 357.414 2.811 20 30 FFEDHM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1ccccc1Br ZINC001257417969 1038797373 /nfs/dbraw/zinc/79/73/73/1038797373.db2.gz VLQNQAFLLZFOHB-SREVYHEPSA-N -1 3 372.162 2.763 20 30 FFEDHM CCOC(=O)Cc1c(C#N)c([N-]c2cnoc2C)sc1C(=O)OCC ZINC001210584071 1039622971 /nfs/dbraw/zinc/62/29/71/1039622971.db2.gz SRLRUJSMUGDMNX-UHFFFAOYSA-N -1 3 363.395 2.942 20 30 FFEDHM COc1cc([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)ccc1C#N ZINC001258986338 1039642061 /nfs/dbraw/zinc/64/20/61/1039642061.db2.gz JTVJIKWFRXFJGJ-FZKQIMNGSA-N -1 3 362.451 2.704 20 30 FFEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(OC)c2)c(F)c1 ZINC001259188940 1039781276 /nfs/dbraw/zinc/78/12/76/1039781276.db2.gz CGAOBXXNRNTRDD-UHFFFAOYSA-N -1 3 365.382 2.978 20 30 FFEDHM COCCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259417752 1039987990 /nfs/dbraw/zinc/98/79/90/1039987990.db2.gz ZHXURTVKTXGKEM-UHFFFAOYSA-N -1 3 364.398 2.913 20 30 FFEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC001259433639 1040000830 /nfs/dbraw/zinc/00/08/30/1040000830.db2.gz WJDVFCOSDHKZRM-AWEZNQCLSA-N -1 3 356.325 2.970 20 30 FFEDHM COc1cc([O-])c(CN2CCC[C@@H](C#N)C2)cc1I ZINC001248469525 1040291095 /nfs/dbraw/zinc/29/10/95/1040291095.db2.gz OMLJVIVYHBAQNO-JTQLQIEISA-N -1 3 372.206 2.741 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cncc(OC(F)(F)F)c2)cc1 ZINC001260039699 1040370118 /nfs/dbraw/zinc/37/01/18/1040370118.db2.gz TXHGRJFLOHAOEW-UHFFFAOYSA-N -1 3 357.313 2.794 20 30 FFEDHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260043907 1040374154 /nfs/dbraw/zinc/37/41/54/1040374154.db2.gz QNDWTFZAAOHOFA-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3c(F)ccc([O-])c3F)C2)C1=O ZINC001276734852 1041949252 /nfs/dbraw/zinc/94/92/52/1041949252.db2.gz AZPUKGFOHJRHSC-LJQANCHMSA-N -1 3 364.392 2.588 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001262962416 1041992549 /nfs/dbraw/zinc/99/25/49/1041992549.db2.gz MJDFEJSONIVTMY-AWEZNQCLSA-N -1 3 367.409 2.730 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(OC(C)C)CC1 ZINC001263288669 1042223446 /nfs/dbraw/zinc/22/34/46/1042223446.db2.gz ZYKBIQNXINGAIK-UHFFFAOYSA-N -1 3 365.869 2.687 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(OC(C)C)CC1 ZINC001263288669 1042223450 /nfs/dbraw/zinc/22/34/50/1042223450.db2.gz ZYKBIQNXINGAIK-UHFFFAOYSA-N -1 3 365.869 2.687 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn2ccncc12 ZINC001263293692 1042225259 /nfs/dbraw/zinc/22/52/59/1042225259.db2.gz WNZDXXHVRVHUEA-SNVBAGLBSA-N -1 3 374.187 2.997 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2OC)cc1 ZINC001263295354 1042226430 /nfs/dbraw/zinc/22/64/30/1042226430.db2.gz WNURSLNLOXHEQB-SWLSCSKDSA-N -1 3 354.410 2.903 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)c1 ZINC001263305849 1042232120 /nfs/dbraw/zinc/23/21/20/1042232120.db2.gz IZTVQGAITAGKOX-NSHDSACASA-N -1 3 350.300 2.709 20 30 FFEDHM C=C[C@@H](CC(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)c1ccccc1 ZINC001263947368 1042549386 /nfs/dbraw/zinc/54/93/86/1042549386.db2.gz PLRXSMLAYCCDFM-INIZCTEOSA-N -1 3 366.465 2.936 20 30 FFEDHM C#CCCCN1CC2(C1)CCN(C(=O)c1c(F)c(F)c([O-])c(F)c1F)C2 ZINC001279239456 1042961843 /nfs/dbraw/zinc/96/18/43/1042961843.db2.gz UUNGWYNVXOVTBB-UHFFFAOYSA-N -1 3 370.346 2.510 20 30 FFEDHM Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)c([O-])c2)cc1C#N ZINC001279656476 1043412127 /nfs/dbraw/zinc/41/21/27/1043412127.db2.gz JXAZKBHYBLHAEA-CALCHBBNSA-N -1 3 354.429 2.590 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C#N)s1 ZINC001318933228 1044945476 /nfs/dbraw/zinc/94/54/76/1044945476.db2.gz JRCHNJXLBSLMAM-UHFFFAOYSA-N -1 3 356.432 2.974 20 30 FFEDHM Cc1nc[n-]c(=O)c1CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001317823117 1045148614 /nfs/dbraw/zinc/14/86/14/1045148614.db2.gz AZQHHAARVUZQTE-UHFFFAOYSA-N -1 3 363.339 2.610 20 30 FFEDHM CN1CCN(c2ccc(/C=C/C(=O)c3cc(O)ccc3[O-])cc2F)CC1 ZINC001319587963 1045206209 /nfs/dbraw/zinc/20/62/09/1045206209.db2.gz NBKJJVPVKCNAHH-ZZXKWVIFSA-N -1 3 356.397 2.885 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001320068756 1045342224 /nfs/dbraw/zinc/34/22/24/1045342224.db2.gz RGQLHLAUMYHKOE-LBPRGKRZSA-N -1 3 357.451 2.741 20 30 FFEDHM N#Cc1cccc([N-]S(=O)(=O)CCOCC2CCC2)c1Br ZINC001332258982 1048323563 /nfs/dbraw/zinc/32/35/63/1048323563.db2.gz SYOZDRAGBZAWOP-UHFFFAOYSA-N -1 3 373.272 2.879 20 30 FFEDHM Cc1cc(N(C)C)ccc1C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001328653170 1048403401 /nfs/dbraw/zinc/40/34/01/1048403401.db2.gz IXBRIHFRYSFECZ-CQSZACIVSA-N -1 3 357.479 2.731 20 30 FFEDHM C#CCN1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001293715923 1049614296 /nfs/dbraw/zinc/61/42/96/1049614296.db2.gz OIMOHWGNRZUKQS-UHFFFAOYSA-N -1 3 350.418 2.966 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)n(C)n2)cc1 ZINC001341947737 1050543967 /nfs/dbraw/zinc/54/39/67/1050543967.db2.gz MXVGBBGEUIWUQD-LBPRGKRZSA-N -1 3 364.327 2.962 20 30 FFEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001342205962 1050798413 /nfs/dbraw/zinc/79/84/13/1050798413.db2.gz ZJSCPNYGIPBJFK-CYBMUJFWSA-N -1 3 370.486 2.556 20 30 FFEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001342205962 1050798426 /nfs/dbraw/zinc/79/84/26/1050798426.db2.gz ZJSCPNYGIPBJFK-CYBMUJFWSA-N -1 3 370.486 2.556 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(OC(C)C)CC1 ZINC001342522707 1051124972 /nfs/dbraw/zinc/12/49/72/1051124972.db2.gz MSRLATXNLUCUGG-UHFFFAOYSA-N -1 3 372.473 2.719 20 30 FFEDHM N#CC1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2cccs2)CC1 ZINC001344905836 1052118913 /nfs/dbraw/zinc/11/89/13/1052118913.db2.gz HTFNSJBBJLDZPA-UHFFFAOYSA-N -1 3 374.861 2.566 20 30 FFEDHM N#CC1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2cccs2)CC1 ZINC001344905836 1052118918 /nfs/dbraw/zinc/11/89/18/1052118918.db2.gz HTFNSJBBJLDZPA-UHFFFAOYSA-N -1 3 374.861 2.566 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OCCCC)cc1[O-] ZINC001306872991 1052206816 /nfs/dbraw/zinc/20/68/16/1052206816.db2.gz WXWSNPIMRQJKGY-UHFFFAOYSA-N -1 3 361.438 2.988 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001351723090 1054969427 /nfs/dbraw/zinc/96/94/27/1054969427.db2.gz LZMCQHUFZMCYON-OAHLLOKOSA-N -1 3 370.457 2.555 20 30 FFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(C)cc1 ZINC001349552530 1055334593 /nfs/dbraw/zinc/33/45/93/1055334593.db2.gz BHFWTGBYAXWLIX-CYBMUJFWSA-N -1 3 364.448 2.511 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1Cc2ccc(OC)cc2C1 ZINC001356380841 1055480602 /nfs/dbraw/zinc/48/06/02/1055480602.db2.gz HNQZSFQKYOFMLO-UHFFFAOYSA-N -1 3 364.409 2.546 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@@H]3CCOC[C@H]3OC)n2C)c1[O-] ZINC001338678185 1055724113 /nfs/dbraw/zinc/72/41/13/1055724113.db2.gz YVFFBROKRLAXLI-IAGOWNOFSA-N -1 3 372.469 2.546 20 30 FFEDHM C=C[C@H](C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001352793408 1055796200 /nfs/dbraw/zinc/79/62/00/1055796200.db2.gz JVNCRDZDTWTBMR-IRXDYDNUSA-N -1 3 352.438 2.545 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000847497135 1055929933 /nfs/dbraw/zinc/92/99/33/1055929933.db2.gz YKSATYOVXDEPJE-AWEZNQCLSA-N -1 3 352.394 2.671 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC001339014069 1056015639 /nfs/dbraw/zinc/01/56/39/1056015639.db2.gz CIZHEQXJIAQVPG-ZIAGYGMSSA-N -1 3 359.430 2.609 20 30 FFEDHM Cc1cc(=O)[n-]c(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC001300201101 1056091554 /nfs/dbraw/zinc/09/15/54/1056091554.db2.gz IVPFLISWORSFRU-UHFFFAOYSA-N -1 3 374.400 2.871 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ocnc3C3CC3)sc2C1 ZINC001351271274 1056167331 /nfs/dbraw/zinc/16/73/31/1056167331.db2.gz VFBQLKDZILRWFZ-UHFFFAOYSA-N -1 3 356.407 2.642 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001339193945 1056187441 /nfs/dbraw/zinc/18/74/41/1056187441.db2.gz AAMNXMZRELZOEB-LLVKDONJSA-N -1 3 368.363 2.714 20 30 FFEDHM Cc1cc(Cl)ccc1O[C@H](C(=O)N[C@H]1CCN([O-])C1=O)c1ccccc1 ZINC001450157344 1058984369 /nfs/dbraw/zinc/98/43/69/1058984369.db2.gz NFQVMMOHHKYRPC-RDJZCZTQSA-N -1 3 374.824 2.875 20 30 FFEDHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848133424 1059101724 /nfs/dbraw/zinc/10/17/24/1059101724.db2.gz YQGIFNZWOMIJFU-KSSFIOAISA-N -1 3 354.406 2.617 20 30 FFEDHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000848136029 1059106939 /nfs/dbraw/zinc/10/69/39/1059106939.db2.gz KSONNCABSPTDSW-RBUKOAKNSA-N -1 3 352.434 2.899 20 30 FFEDHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848138188 1059113766 /nfs/dbraw/zinc/11/37/66/1059113766.db2.gz KEOUFHMCBFULIO-YJBOKZPZSA-N -1 3 368.433 2.541 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)CCOc1ccccc1 ZINC001515547960 1059695316 /nfs/dbraw/zinc/69/53/16/1059695316.db2.gz COFVHUDTOKOVOF-UHFFFAOYSA-N -1 3 366.425 2.532 20 30 FFEDHM O=C(Cn1cc(Br)ccc1=O)N([O-])Cc1ccccc1Cl ZINC001458001755 1060488154 /nfs/dbraw/zinc/48/81/54/1060488154.db2.gz IEIYEIZHFOVLMS-UHFFFAOYSA-N -1 3 371.618 2.682 20 30 FFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC001517658042 1060583026 /nfs/dbraw/zinc/58/30/26/1060583026.db2.gz UBPDOAGIMXIMET-OLZOCXBDSA-N -1 3 358.182 2.838 20 30 FFEDHM Cc1cc(C[N-]S(=O)(=O)c2cccnc2C#N)ccc1Br ZINC001475371240 1061064550 /nfs/dbraw/zinc/06/45/50/1061064550.db2.gz XXUSBFXGKCJOOH-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM C=CCCC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC(F)(F)C1)C(=O)OC ZINC001475688764 1061208437 /nfs/dbraw/zinc/20/84/37/1061208437.db2.gz NRCYAPCRMMLJEV-QWHCGFSZSA-N -1 3 353.431 2.629 20 30 FFEDHM O=C(Nc1cccc(COc2cccc(F)c2)c1)N[C@H]1CCCN([O-])C1=O ZINC001475949115 1061316732 /nfs/dbraw/zinc/31/67/32/1061316732.db2.gz QXKGINYBZSZCPT-KRWDZBQOSA-N -1 3 373.384 2.906 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001476141741 1061355589 /nfs/dbraw/zinc/35/55/89/1061355589.db2.gz JDNQAWNZQIVSFR-QWHCGFSZSA-N -1 3 359.455 2.572 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(=O)OCC ZINC001463724972 1062229069 /nfs/dbraw/zinc/22/90/69/1062229069.db2.gz DKVCDOSVMQHSOC-OAHLLOKOSA-N -1 3 359.875 2.700 20 30 FFEDHM Cc1nc([N-]C(=O)c2ocnc2-c2ccccc2)n(-c2ccc(C#N)cc2)n1 ZINC001435276327 1062435022 /nfs/dbraw/zinc/43/50/22/1062435022.db2.gz FVYSLTRHFYRVAQ-UHFFFAOYSA-N -1 3 370.372 2.777 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C(F)(F)c2ccccc2C#N)[n-]n1 ZINC001469326349 1064128615 /nfs/dbraw/zinc/12/86/15/1064128615.db2.gz GPUROEVPGIXOMV-UHFFFAOYSA-N -1 3 362.336 2.967 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C(F)(F)c2ccccc2C#N)n[n-]1 ZINC001469326349 1064128617 /nfs/dbraw/zinc/12/86/17/1064128617.db2.gz GPUROEVPGIXOMV-UHFFFAOYSA-N -1 3 362.336 2.967 20 30 FFEDHM CCCCCCN([O-])C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001472621117 1065113001 /nfs/dbraw/zinc/11/30/01/1065113001.db2.gz HXTHKJNXUFBHKD-GOSISDBHSA-N -1 3 369.462 2.940 20 30 FFEDHM COc1ccc([C@H](C)CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC001579991543 1078727887 /nfs/dbraw/zinc/72/78/87/1078727887.db2.gz DAHWEPUNPHILCS-SNVBAGLBSA-N -1 3 367.438 2.620 20 30 FFEDHM COc1ccc([C@H](C)CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC001579991543 1078727892 /nfs/dbraw/zinc/72/78/92/1078727892.db2.gz DAHWEPUNPHILCS-SNVBAGLBSA-N -1 3 367.438 2.620 20 30 FFEDHM Cc1csc(NC(=O)NCc2ccc(C#N)c(F)c2)c1-c1nnn[n-]1 ZINC001581386828 1078957012 /nfs/dbraw/zinc/95/70/12/1078957012.db2.gz CGIIZEBFCNHFCT-UHFFFAOYSA-N -1 3 357.374 2.569 20 30 FFEDHM Cc1csc(NC(=O)NCc2ccc(C#N)c(F)c2)c1-c1nn[n-]n1 ZINC001581386828 1078957017 /nfs/dbraw/zinc/95/70/17/1078957017.db2.gz CGIIZEBFCNHFCT-UHFFFAOYSA-N -1 3 357.374 2.569 20 30 FFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC001581859902 1079009742 /nfs/dbraw/zinc/00/97/42/1079009742.db2.gz BHKGLNSDAISBIO-UONOGXRCSA-N -1 3 358.405 2.956 20 30 FFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC001581859902 1079009748 /nfs/dbraw/zinc/00/97/48/1079009748.db2.gz BHKGLNSDAISBIO-UONOGXRCSA-N -1 3 358.405 2.956 20 30 FFEDHM N#Cc1cscc1C(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001581878490 1079012808 /nfs/dbraw/zinc/01/28/08/1079012808.db2.gz NTPJEYANOTXLOM-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#Cc1cscc1C(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001581878490 1079012813 /nfs/dbraw/zinc/01/28/13/1079012813.db2.gz NTPJEYANOTXLOM-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#CCCCn1cc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c2ccccc21 ZINC001557319598 1075838789 /nfs/dbraw/zinc/83/87/89/1075838789.db2.gz BNGWFDPAQZPUGP-UHFFFAOYSA-N -1 3 367.434 2.659 20 30 FFEDHM C=CCN(c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=C)C)C1CC1 ZINC001573341586 1077675203 /nfs/dbraw/zinc/67/52/03/1077675203.db2.gz NSHJZPSYGXIKPE-UHFFFAOYSA-N -1 3 362.441 2.856 20 30 FFEDHM C=CCN(c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=C)C)C1CC1 ZINC001573341586 1077675204 /nfs/dbraw/zinc/67/52/04/1077675204.db2.gz NSHJZPSYGXIKPE-UHFFFAOYSA-N -1 3 362.441 2.856 20 30 FFEDHM Brc1cccc(-c2nnn[n-]2)c1NCC#C[C@H]1CCCCO1 ZINC001588324410 1079982694 /nfs/dbraw/zinc/98/26/94/1079982694.db2.gz QFLDMKLYGBCEKB-LLVKDONJSA-N -1 3 362.231 2.614 20 30 FFEDHM Brc1cccc(-c2nn[n-]n2)c1NCC#C[C@H]1CCCCO1 ZINC001588324410 1079982698 /nfs/dbraw/zinc/98/26/98/1079982698.db2.gz QFLDMKLYGBCEKB-LLVKDONJSA-N -1 3 362.231 2.614 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1)C(C)C ZINC001588329276 1079985862 /nfs/dbraw/zinc/98/58/62/1079985862.db2.gz CBSGBXMQVLAJGL-NSHDSACASA-N -1 3 368.319 2.545 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1)C(C)C ZINC001588329276 1079985868 /nfs/dbraw/zinc/98/58/68/1079985868.db2.gz CBSGBXMQVLAJGL-NSHDSACASA-N -1 3 368.319 2.545 20 30 FFEDHM C#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC001588330355 1079987025 /nfs/dbraw/zinc/98/70/25/1079987025.db2.gz ZSKWZEQXUQPCCJ-HNNXBMFYSA-N -1 3 355.760 2.764 20 30 FFEDHM C#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC001588330355 1079987029 /nfs/dbraw/zinc/98/70/29/1079987029.db2.gz ZSKWZEQXUQPCCJ-HNNXBMFYSA-N -1 3 355.760 2.764 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588335531 1079988309 /nfs/dbraw/zinc/98/83/09/1079988309.db2.gz QCMIMRBZYSFCBG-KDOFPFPSSA-N -1 3 364.453 2.689 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588335531 1079988316 /nfs/dbraw/zinc/98/83/16/1079988316.db2.gz QCMIMRBZYSFCBG-KDOFPFPSSA-N -1 3 364.453 2.689 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)C1 ZINC001588335269 1079989128 /nfs/dbraw/zinc/98/91/28/1079989128.db2.gz GICMZEBCZYADDP-INIZCTEOSA-N -1 3 363.465 2.940 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)C1 ZINC001588335269 1079989132 /nfs/dbraw/zinc/98/91/32/1079989132.db2.gz GICMZEBCZYADDP-INIZCTEOSA-N -1 3 363.465 2.940 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC001588337300 1079989386 /nfs/dbraw/zinc/98/93/86/1079989386.db2.gz MRICVYLILRAJEV-ZDUSSCGKSA-N -1 3 354.414 2.531 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC001588337300 1079989389 /nfs/dbraw/zinc/98/93/89/1079989389.db2.gz MRICVYLILRAJEV-ZDUSSCGKSA-N -1 3 354.414 2.531 20 30 FFEDHM C#CCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC001588344236 1079990492 /nfs/dbraw/zinc/99/04/92/1079990492.db2.gz IWEIJENEWYCLER-UHFFFAOYSA-N -1 3 361.427 2.545 20 30 FFEDHM C#CCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC001588344236 1079990496 /nfs/dbraw/zinc/99/04/96/1079990496.db2.gz IWEIJENEWYCLER-UHFFFAOYSA-N -1 3 361.427 2.545 20 30 FFEDHM C#CCCCC(=O)N[C@H](C)C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588338409 1079990892 /nfs/dbraw/zinc/99/08/92/1079990892.db2.gz KVQZIXBKHDXTAV-QWHCGFSZSA-N -1 3 358.421 2.505 20 30 FFEDHM C#CCCCC(=O)N[C@H](C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588338409 1079990899 /nfs/dbraw/zinc/99/08/99/1079990899.db2.gz KVQZIXBKHDXTAV-QWHCGFSZSA-N -1 3 358.421 2.505 20 30 FFEDHM C#CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1C)[C@@H]1CCCc2ccccc21 ZINC001588348603 1079991843 /nfs/dbraw/zinc/99/18/43/1079991843.db2.gz DDHWQMHMJBMNFK-GOSISDBHSA-N -1 3 372.432 2.723 20 30 FFEDHM C#CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1C)[C@@H]1CCCc2ccccc21 ZINC001588348603 1079991845 /nfs/dbraw/zinc/99/18/45/1079991845.db2.gz DDHWQMHMJBMNFK-GOSISDBHSA-N -1 3 372.432 2.723 20 30 FFEDHM C#CCOc1ccccc1CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588362986 1079993191 /nfs/dbraw/zinc/99/31/91/1079993191.db2.gz DBVJRVFYKROACP-UHFFFAOYSA-N -1 3 364.365 2.707 20 30 FFEDHM C#CCOc1ccccc1CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588362986 1079993197 /nfs/dbraw/zinc/99/31/97/1079993197.db2.gz DBVJRVFYKROACP-UHFFFAOYSA-N -1 3 364.365 2.707 20 30 FFEDHM C#Cc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001588374036 1079996468 /nfs/dbraw/zinc/99/64/68/1079996468.db2.gz ZOIFYJXCXVPPOK-UHFFFAOYSA-N -1 3 353.769 2.519 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588391809 1080002818 /nfs/dbraw/zinc/00/28/18/1080002818.db2.gz QOLNBFZQINJBFD-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588391809 1080002826 /nfs/dbraw/zinc/00/28/26/1080002826.db2.gz QOLNBFZQINJBFD-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588416753 1080021092 /nfs/dbraw/zinc/02/10/92/1080021092.db2.gz YRIMVQVGEXOPQO-CYBMUJFWSA-N -1 3 357.462 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588416753 1080021100 /nfs/dbraw/zinc/02/11/00/1080021100.db2.gz YRIMVQVGEXOPQO-CYBMUJFWSA-N -1 3 357.462 2.623 20 30 FFEDHM C=C(C)CONC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001588429653 1080025131 /nfs/dbraw/zinc/02/51/31/1080025131.db2.gz MCNVAGMPHCUIIC-UHFFFAOYSA-N -1 3 365.393 2.683 20 30 FFEDHM C=C(C)CONC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001588429653 1080025139 /nfs/dbraw/zinc/02/51/39/1080025139.db2.gz MCNVAGMPHCUIIC-UHFFFAOYSA-N -1 3 365.393 2.683 20 30 FFEDHM C=C(C)CONC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588429256 1080025637 /nfs/dbraw/zinc/02/56/37/1080025637.db2.gz FQKVPCPGSRUHLJ-UHFFFAOYSA-N -1 3 367.369 2.683 20 30 FFEDHM C=C(C)CONC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588429256 1080025645 /nfs/dbraw/zinc/02/56/45/1080025645.db2.gz FQKVPCPGSRUHLJ-UHFFFAOYSA-N -1 3 367.369 2.683 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H](C)[C@H]1C ZINC001588429292 1080025917 /nfs/dbraw/zinc/02/59/17/1080025917.db2.gz GURNEZMVCZNJJS-UONOGXRCSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H](C)[C@H]1C ZINC001588429292 1080025926 /nfs/dbraw/zinc/02/59/26/1080025926.db2.gz GURNEZMVCZNJJS-UONOGXRCSA-N -1 3 364.457 2.936 20 30 FFEDHM C=C(C)Cn1c(CC(C)C)nnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588438353 1080028978 /nfs/dbraw/zinc/02/89/78/1080028978.db2.gz QUDDYINBLISMMX-UHFFFAOYSA-N -1 3 364.457 2.753 20 30 FFEDHM C=C(C)Cn1c(CC(C)C)nnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588438353 1080028987 /nfs/dbraw/zinc/02/89/87/1080028987.db2.gz QUDDYINBLISMMX-UHFFFAOYSA-N -1 3 364.457 2.753 20 30 FFEDHM C#CCCOc1ccc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)cc1 ZINC001588458281 1080034260 /nfs/dbraw/zinc/03/42/60/1080034260.db2.gz MDLDDNCTYQQRAN-UHFFFAOYSA-N -1 3 357.450 2.671 20 30 FFEDHM C=C1CCC(CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588462661 1080037949 /nfs/dbraw/zinc/03/79/49/1080037949.db2.gz UJLSGDHZMXJEMH-UHFFFAOYSA-N -1 3 355.442 2.887 20 30 FFEDHM C=C1CCC(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588462661 1080037956 /nfs/dbraw/zinc/03/79/56/1080037956.db2.gz UJLSGDHZMXJEMH-UHFFFAOYSA-N -1 3 355.442 2.887 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588474330 1080040116 /nfs/dbraw/zinc/04/01/16/1080040116.db2.gz BDLMTRFYPDTBBP-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588474330 1080040124 /nfs/dbraw/zinc/04/01/24/1080040124.db2.gz BDLMTRFYPDTBBP-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588484088 1080048160 /nfs/dbraw/zinc/04/81/60/1080048160.db2.gz YDCFXNJQUHSTNW-UHFFFAOYSA-N -1 3 369.473 2.562 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588484088 1080048168 /nfs/dbraw/zinc/04/81/68/1080048168.db2.gz YDCFXNJQUHSTNW-UHFFFAOYSA-N -1 3 369.473 2.562 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588484767 1080048457 /nfs/dbraw/zinc/04/84/57/1080048457.db2.gz MPJNMXQVXBOPLP-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588484767 1080048465 /nfs/dbraw/zinc/04/84/65/1080048465.db2.gz MPJNMXQVXBOPLP-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588486010 1080049695 /nfs/dbraw/zinc/04/96/95/1080049695.db2.gz AZOBWCMNPQKYFW-MRXNPFEDSA-N -1 3 354.458 2.554 20 30 FFEDHM C=C[C@H](CC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588518901 1080069381 /nfs/dbraw/zinc/06/93/81/1080069381.db2.gz NPRAWPSLBRJINC-AUUYWEPGSA-N -1 3 359.433 2.810 20 30 FFEDHM C=C[C@H](CC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588518901 1080069389 /nfs/dbraw/zinc/06/93/89/1080069389.db2.gz NPRAWPSLBRJINC-AUUYWEPGSA-N -1 3 359.433 2.810 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588532843 1080081784 /nfs/dbraw/zinc/08/17/84/1080081784.db2.gz HNAYTUNKBIQLHP-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588532843 1080081791 /nfs/dbraw/zinc/08/17/91/1080081791.db2.gz HNAYTUNKBIQLHP-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC[C@H](CC)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001588540889 1080087358 /nfs/dbraw/zinc/08/73/58/1080087358.db2.gz HCDMFRVLDIMZNO-NSHDSACASA-N -1 3 358.471 2.946 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CCCNc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001588551453 1080091781 /nfs/dbraw/zinc/09/17/81/1080091781.db2.gz BVSIUZMNDFHHES-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CCCNc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001588551453 1080091784 /nfs/dbraw/zinc/09/17/84/1080091784.db2.gz BVSIUZMNDFHHES-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(COC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588557765 1080094362 /nfs/dbraw/zinc/09/43/62/1080094362.db2.gz UOIYFTXOGOGGRU-DLBZAZTESA-N -1 3 368.437 2.886 20 30 FFEDHM C=CCC1(COC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588557765 1080094372 /nfs/dbraw/zinc/09/43/72/1080094372.db2.gz UOIYFTXOGOGGRU-DLBZAZTESA-N -1 3 368.437 2.886 20 30 FFEDHM C=CCC1(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588556668 1080095227 /nfs/dbraw/zinc/09/52/27/1080095227.db2.gz CEEMNIPSPJGBQO-UHFFFAOYSA-N -1 3 356.426 2.715 20 30 FFEDHM C=CCC1(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588556668 1080095233 /nfs/dbraw/zinc/09/52/33/1080095233.db2.gz CEEMNIPSPJGBQO-UHFFFAOYSA-N -1 3 356.426 2.715 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588587232 1080110987 /nfs/dbraw/zinc/11/09/87/1080110987.db2.gz RRMPMZVTLRGKIQ-CABCVRRESA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588587232 1080110989 /nfs/dbraw/zinc/11/09/89/1080110989.db2.gz RRMPMZVTLRGKIQ-CABCVRRESA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588588343 1080111334 /nfs/dbraw/zinc/11/13/34/1080111334.db2.gz LCQKJOLOODOGKG-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588588343 1080111339 /nfs/dbraw/zinc/11/13/39/1080111339.db2.gz LCQKJOLOODOGKG-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCCCCCNC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588593923 1080115629 /nfs/dbraw/zinc/11/56/29/1080115629.db2.gz MVIUDPAOIICCGZ-UHFFFAOYSA-N -1 3 365.441 2.919 20 30 FFEDHM C=CCCCCCCNC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588593923 1080115631 /nfs/dbraw/zinc/11/56/31/1080115631.db2.gz MVIUDPAOIICCGZ-UHFFFAOYSA-N -1 3 365.441 2.919 20 30 FFEDHM C=CCCCCCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588596803 1080116724 /nfs/dbraw/zinc/11/67/24/1080116724.db2.gz ZQPCFYRLFYWKRB-KRWDZBQOSA-N -1 3 370.457 2.696 20 30 FFEDHM C=CCCCCCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588596803 1080116728 /nfs/dbraw/zinc/11/67/28/1080116728.db2.gz ZQPCFYRLFYWKRB-KRWDZBQOSA-N -1 3 370.457 2.696 20 30 FFEDHM C=CCCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC001588600494 1080119168 /nfs/dbraw/zinc/11/91/68/1080119168.db2.gz DHAZOBVLMPNUGX-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=CCCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC001588600494 1080119170 /nfs/dbraw/zinc/11/91/70/1080119170.db2.gz DHAZOBVLMPNUGX-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=CCCSCCNc1ncc(Br)cc1-c1nnn[n-]1 ZINC001588620796 1080124070 /nfs/dbraw/zinc/12/40/70/1080124070.db2.gz HKBFXVOHIJKJCD-UHFFFAOYSA-N -1 3 355.265 2.745 20 30 FFEDHM C=CCCSCCNc1ncc(Br)cc1-c1nn[n-]n1 ZINC001588620796 1080124073 /nfs/dbraw/zinc/12/40/73/1080124073.db2.gz HKBFXVOHIJKJCD-UHFFFAOYSA-N -1 3 355.265 2.745 20 30 FFEDHM C=CCN(CCc1ccccc1)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588635477 1080130483 /nfs/dbraw/zinc/13/04/83/1080130483.db2.gz KMAJPSAZRYCFTF-UHFFFAOYSA-N -1 3 362.437 2.536 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](OC)C1CCCC1 ZINC001588638949 1080131693 /nfs/dbraw/zinc/13/16/93/1080131693.db2.gz KENXTHNYAMQXRJ-QGZVFWFLSA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](OC)C1CCCC1 ZINC001588638949 1080131700 /nfs/dbraw/zinc/13/17/00/1080131700.db2.gz KENXTHNYAMQXRJ-QGZVFWFLSA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1c(C)noc1C ZINC001588638514 1080131808 /nfs/dbraw/zinc/13/18/08/1080131808.db2.gz DUMYNDPHEFHQFY-LBPRGKRZSA-N -1 3 366.425 2.790 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1c(C)noc1C ZINC001588638514 1080131817 /nfs/dbraw/zinc/13/18/17/1080131817.db2.gz DUMYNDPHEFHQFY-LBPRGKRZSA-N -1 3 366.425 2.790 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC001588639920 1080133025 /nfs/dbraw/zinc/13/30/25/1080133025.db2.gz XKLCVHAORXZBHS-MRXNPFEDSA-N -1 3 369.469 2.975 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC001588639920 1080133030 /nfs/dbraw/zinc/13/30/30/1080133030.db2.gz XKLCVHAORXZBHS-MRXNPFEDSA-N -1 3 369.469 2.975 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@]1(C)CCCCO1 ZINC001588641422 1080134379 /nfs/dbraw/zinc/13/43/79/1080134379.db2.gz FGTWDYQUIIWIFY-IBGZPJMESA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@]1(C)CCCCO1 ZINC001588641422 1080134387 /nfs/dbraw/zinc/13/43/87/1080134387.db2.gz FGTWDYQUIIWIFY-IBGZPJMESA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](OC)[C@H](C)CC ZINC001588642131 1080135636 /nfs/dbraw/zinc/13/56/36/1080135636.db2.gz UTSSZYHWAPEEOH-RHSMWYFYSA-N -1 3 372.473 2.625 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](OC)[C@H](C)CC ZINC001588642131 1080135639 /nfs/dbraw/zinc/13/56/39/1080135639.db2.gz UTSSZYHWAPEEOH-RHSMWYFYSA-N -1 3 372.473 2.625 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588653649 1080143291 /nfs/dbraw/zinc/14/32/91/1080143291.db2.gz RYAQLGNVFOYMSS-OAHLLOKOSA-N -1 3 363.421 2.849 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588653649 1080143298 /nfs/dbraw/zinc/14/32/98/1080143298.db2.gz RYAQLGNVFOYMSS-OAHLLOKOSA-N -1 3 363.421 2.849 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001588688890 1080154590 /nfs/dbraw/zinc/15/45/90/1080154590.db2.gz UEYIYJNBZWPMQA-SANMLTNESA-N -1 3 371.397 2.859 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001588688890 1080154595 /nfs/dbraw/zinc/15/45/95/1080154595.db2.gz UEYIYJNBZWPMQA-SANMLTNESA-N -1 3 371.397 2.859 20 30 FFEDHM C=CCOc1ccc(CC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)cc1 ZINC001588689594 1080156426 /nfs/dbraw/zinc/15/64/26/1080156426.db2.gz NYFTYKHCSNXSHX-UHFFFAOYSA-N -1 3 361.405 2.516 20 30 FFEDHM C=CCOc1ccc(CC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)cc1 ZINC001588689594 1080156433 /nfs/dbraw/zinc/15/64/33/1080156433.db2.gz NYFTYKHCSNXSHX-UHFFFAOYSA-N -1 3 361.405 2.516 20 30 FFEDHM C=CCOc1ccc(CNc2nc3ncccc3cc2-c2nnn[n-]2)cc1 ZINC001588690350 1080157671 /nfs/dbraw/zinc/15/76/71/1080157671.db2.gz ZKMFVZVPUCJBCT-UHFFFAOYSA-N -1 3 359.393 2.987 20 30 FFEDHM C=CCOc1ccc(CNc2nc3ncccc3cc2-c2nn[n-]n2)cc1 ZINC001588690350 1080157674 /nfs/dbraw/zinc/15/76/74/1080157674.db2.gz ZKMFVZVPUCJBCT-UHFFFAOYSA-N -1 3 359.393 2.987 20 30 FFEDHM C=CCSCCNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001588694084 1080159799 /nfs/dbraw/zinc/15/97/99/1080159799.db2.gz BLDBQPXOBJEYEL-UHFFFAOYSA-N -1 3 355.427 2.780 20 30 FFEDHM C=CCSCCNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001588694084 1080159803 /nfs/dbraw/zinc/15/98/03/1080159803.db2.gz BLDBQPXOBJEYEL-UHFFFAOYSA-N -1 3 355.427 2.780 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCCC(F)(F)C1 ZINC001588700595 1080161007 /nfs/dbraw/zinc/16/10/07/1080161007.db2.gz UFNWMLJMDGRPDV-UHFFFAOYSA-N -1 3 372.383 2.547 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCCC(F)(F)C1 ZINC001588700595 1080161008 /nfs/dbraw/zinc/16/10/08/1080161008.db2.gz UFNWMLJMDGRPDV-UHFFFAOYSA-N -1 3 372.383 2.547 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCCC[C@@H]1C)c1ccccc1-c1nnn[n-]1 ZINC001588776626 1080190500 /nfs/dbraw/zinc/19/05/00/1080190500.db2.gz YEUYZAZMFYAFFC-XHDPSFHLSA-N -1 3 357.487 2.634 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCCC[C@@H]1C)c1ccccc1-c1nn[n-]n1 ZINC001588776626 1080190505 /nfs/dbraw/zinc/19/05/05/1080190505.db2.gz YEUYZAZMFYAFFC-XHDPSFHLSA-N -1 3 357.487 2.634 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588831863 1080212100 /nfs/dbraw/zinc/21/21/00/1080212100.db2.gz URELYVMMMMEOJU-KDOFPFPSSA-N -1 3 350.484 2.838 20 30 FFEDHM CC(=O)c1ccc(C#N)c(N2CCO[C@@H](c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001588912281 1080259708 /nfs/dbraw/zinc/25/97/08/1080259708.db2.gz RUJCFYHSOCIGRG-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(C#N)c(N2CCO[C@@H](c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001588912281 1080259713 /nfs/dbraw/zinc/25/97/13/1080259713.db2.gz RUJCFYHSOCIGRG-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(C#N)c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001588911976 1080260345 /nfs/dbraw/zinc/26/03/45/1080260345.db2.gz LGSJENADJXGDDO-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(C#N)c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001588911976 1080260352 /nfs/dbraw/zinc/26/03/52/1080260352.db2.gz LGSJENADJXGDDO-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM CC(C)(C#N)CCCOC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001589034331 1080315656 /nfs/dbraw/zinc/31/56/56/1080315656.db2.gz XALFHZAKYHOMJK-UHFFFAOYSA-N -1 3 357.389 2.911 20 30 FFEDHM CC(C)(C#N)CCCOC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001589034331 1080315663 /nfs/dbraw/zinc/31/56/63/1080315663.db2.gz XALFHZAKYHOMJK-UHFFFAOYSA-N -1 3 357.389 2.911 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(Nc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001589162343 1080390580 /nfs/dbraw/zinc/39/05/80/1080390580.db2.gz BKPVSVKJRUAQJS-UHFFFAOYSA-N -1 3 369.429 2.550 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(Nc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001589162343 1080390590 /nfs/dbraw/zinc/39/05/90/1080390590.db2.gz BKPVSVKJRUAQJS-UHFFFAOYSA-N -1 3 369.429 2.550 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](CC#N)c1ccco1 ZINC001589343479 1080492053 /nfs/dbraw/zinc/49/20/53/1080492053.db2.gz NKEKFAXFYBIVKT-OAHLLOKOSA-N -1 3 367.365 2.815 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](CC#N)c1ccco1 ZINC001589343479 1080492055 /nfs/dbraw/zinc/49/20/55/1080492055.db2.gz NKEKFAXFYBIVKT-OAHLLOKOSA-N -1 3 367.365 2.815 20 30 FFEDHM C[C@H](CCCNc1cccc(F)c1-c1nnn[n-]1)NC(=O)C#CC(C)(C)C ZINC001589816863 1080770463 /nfs/dbraw/zinc/77/04/63/1080770463.db2.gz ZJWFRJKHNWLRNP-CYBMUJFWSA-N -1 3 372.448 2.752 20 30 FFEDHM C[C@H](CCCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C#CC(C)(C)C ZINC001589816863 1080770468 /nfs/dbraw/zinc/77/04/68/1080770468.db2.gz ZJWFRJKHNWLRNP-CYBMUJFWSA-N -1 3 372.448 2.752 20 30 FFEDHM C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001590003349 1080930958 /nfs/dbraw/zinc/93/09/58/1080930958.db2.gz MVJPZFFACXLVGY-SCLBCKFNSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001590003349 1080930963 /nfs/dbraw/zinc/93/09/63/1080930963.db2.gz MVJPZFFACXLVGY-SCLBCKFNSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590008537 1080936562 /nfs/dbraw/zinc/93/65/62/1080936562.db2.gz JOAJECPCITVNCB-ZDUSSCGKSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@H](OC(=O)Cc1cccc(OCC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590008537 1080936565 /nfs/dbraw/zinc/93/65/65/1080936565.db2.gz JOAJECPCITVNCB-ZDUSSCGKSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC001590035399 1080960493 /nfs/dbraw/zinc/96/04/93/1080960493.db2.gz GIISSWNIONTGGG-NSHDSACASA-N -1 3 374.445 2.829 20 30 FFEDHM CC1(C)CC(=O)C(=CNc2sc3c(c2-c2nnn[n-]2)CCC3)C(=O)C1 ZINC001590081346 1080995383 /nfs/dbraw/zinc/99/53/83/1080995383.db2.gz UVNSDCVGIRIAML-UHFFFAOYSA-N -1 3 357.439 2.671 20 30 FFEDHM CC1(C)CC(=O)C(=CNc2sc3c(c2-c2nn[n-]n2)CCC3)C(=O)C1 ZINC001590081346 1080995387 /nfs/dbraw/zinc/99/53/87/1080995387.db2.gz UVNSDCVGIRIAML-UHFFFAOYSA-N -1 3 357.439 2.671 20 30 FFEDHM CC1(C)CCCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590095780 1081008651 /nfs/dbraw/zinc/00/86/51/1081008651.db2.gz AIOAVZWPHOKXPD-MRXNPFEDSA-N -1 3 352.442 2.588 20 30 FFEDHM C[C@@]1(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1(Cl)Cl ZINC001590123528 1081031496 /nfs/dbraw/zinc/03/14/96/1081031496.db2.gz NXOSTAJNWXFUNF-CYBMUJFWSA-N -1 3 351.197 2.651 20 30 FFEDHM C[C@@]1(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1(Cl)Cl ZINC001590123528 1081031500 /nfs/dbraw/zinc/03/15/00/1081031500.db2.gz NXOSTAJNWXFUNF-CYBMUJFWSA-N -1 3 351.197 2.651 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000059889260 205283880 /nfs/dbraw/zinc/28/38/80/205283880.db2.gz AHJYIVMQQAJEEC-UHFFFAOYSA-N -1 3 367.434 2.886 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000017296039 249324865 /nfs/dbraw/zinc/32/48/65/249324865.db2.gz DVFBPZCGLTYEAG-UHFFFAOYSA-N -1 3 362.433 2.636 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](Sc3n[n-]c(-c4ccccn4)n3)C2=O)cc1 ZINC000117112314 250335986 /nfs/dbraw/zinc/33/59/86/250335986.db2.gz PKELDHFHOCWZDD-OAHLLOKOSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000274187576 255845342 /nfs/dbraw/zinc/84/53/42/255845342.db2.gz LOYUSRMRVWHTGA-GXTWGEPZSA-N -1 3 374.384 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cn2cnc3ccccc32)no1 ZINC000278188299 256285582 /nfs/dbraw/zinc/28/55/82/256285582.db2.gz OVKUGKMPEXDLPC-UHFFFAOYSA-N -1 3 374.404 2.842 20 30 FFEDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000288682170 257217709 /nfs/dbraw/zinc/21/77/09/257217709.db2.gz WXWPKTUTZKOBGE-UHFFFAOYSA-N -1 3 369.830 2.546 20 30 FFEDHM N#Cc1cc(Oc2ccc(NC(=O)[N-]OC[C@H]3CCOC3)cc2)ccn1 ZINC000289655217 257292467 /nfs/dbraw/zinc/29/24/67/257292467.db2.gz DFVAMRUAQFCYIA-ZDUSSCGKSA-N -1 3 354.366 2.835 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)c3c([O-])cccc3O)CC2)c(F)c1 ZINC000290406269 257330266 /nfs/dbraw/zinc/33/02/66/257330266.db2.gz IXAMBGXWJMCFAG-UHFFFAOYSA-N -1 3 356.353 2.792 20 30 FFEDHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-]CC(F)(F)C(F)F ZINC000291031268 511156144 /nfs/dbraw/zinc/15/61/44/511156144.db2.gz JZJDGOSEVOQQDK-UHFFFAOYSA-N -1 3 355.641 2.880 20 30 FFEDHM C=CC[C@H](CC)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000410119810 512207150 /nfs/dbraw/zinc/20/71/50/512207150.db2.gz KCZCWYBYTNECOC-ZDUSSCGKSA-N -1 3 370.453 2.869 20 30 FFEDHM N#CC(=C([O-])c1cnn(Cc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000041508603 506525415 /nfs/dbraw/zinc/52/54/15/506525415.db2.gz ZKYFZWIEXKKUQF-KRWDZBQOSA-N -1 3 360.421 2.739 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-n1ccnc1 ZINC000045860261 507035462 /nfs/dbraw/zinc/03/54/62/507035462.db2.gz SOQWNHVKIRIUKJ-UHFFFAOYSA-N -1 3 361.405 2.620 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000091056497 507948079 /nfs/dbraw/zinc/94/80/79/507948079.db2.gz NOTYJWNNMCTIRQ-MRXNPFEDSA-N -1 3 352.362 2.502 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(F)ccc2C1 ZINC000091687873 508002326 /nfs/dbraw/zinc/00/23/26/508002326.db2.gz QVMKUDWVPBOIRE-UHFFFAOYSA-N -1 3 353.397 2.520 20 30 FFEDHM N#Cc1ccc(OC2CCC([N-]S(=O)(=O)c3cccs3)CC2)nc1 ZINC000092269521 508056182 /nfs/dbraw/zinc/05/61/82/508056182.db2.gz SKLLRLFDMPRIJM-UHFFFAOYSA-N -1 3 363.464 2.683 20 30 FFEDHM COCCCOc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000076841977 508257972 /nfs/dbraw/zinc/25/79/72/508257972.db2.gz KNBOAYJSRZVJAW-KRWDZBQOSA-N -1 3 368.437 2.910 20 30 FFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)cc1C ZINC000103912631 508323621 /nfs/dbraw/zinc/32/36/21/508323621.db2.gz DLJJZWCGOCZUJW-UHFFFAOYSA-N -1 3 363.370 2.701 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000156475672 508426502 /nfs/dbraw/zinc/42/65/02/508426502.db2.gz UAZYQBPYBFRFBP-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1 ZINC000122543045 508551913 /nfs/dbraw/zinc/55/19/13/508551913.db2.gz DAUDSJMQRFHAAR-OAHLLOKOSA-N -1 3 354.472 2.544 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CC1 ZINC000128567559 508612606 /nfs/dbraw/zinc/61/26/06/508612606.db2.gz VMWCJYPIXVQMTJ-UHFFFAOYSA-N -1 3 371.418 2.768 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc3c(c2)CCO3)no1 ZINC000154814219 508861097 /nfs/dbraw/zinc/86/10/97/508861097.db2.gz JLAXCCVPQVVYKE-UHFFFAOYSA-N -1 3 362.389 2.634 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000151097798 508955885 /nfs/dbraw/zinc/95/58/85/508955885.db2.gz LFPYRPYWIRWQQZ-OAHLLOKOSA-N -1 3 359.426 2.502 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccnn2C(C)C)C1=O ZINC000131791195 508970003 /nfs/dbraw/zinc/97/00/03/508970003.db2.gz DPBFTFQDIMMVRO-GOSISDBHSA-N -1 3 363.462 2.780 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c(F)c1 ZINC000151200628 508977140 /nfs/dbraw/zinc/97/71/40/508977140.db2.gz IWNVNDJDTPGEAS-UHFFFAOYSA-N -1 3 351.428 2.902 20 30 FFEDHM COc1ccccc1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156169445 509138267 /nfs/dbraw/zinc/13/82/67/509138267.db2.gz ZTYUULSLYAQXQP-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000126947050 509150904 /nfs/dbraw/zinc/15/09/04/509150904.db2.gz OJTSUPCJYNNDPL-UHFFFAOYSA-N -1 3 374.444 2.862 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248465823 509334775 /nfs/dbraw/zinc/33/47/75/509334775.db2.gz CXKNIXPMQJVXGA-DAXOMENPSA-N -1 3 366.870 2.838 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000163396740 509372832 /nfs/dbraw/zinc/37/28/32/509372832.db2.gz QGADQLREJCPUJJ-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000165367647 509569192 /nfs/dbraw/zinc/56/91/92/509569192.db2.gz UYJAJUYIBZFWDK-ZDUSSCGKSA-N -1 3 362.373 2.616 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000189658419 509687423 /nfs/dbraw/zinc/68/74/23/509687423.db2.gz MSRMHPZKKLXNRW-HXUWFJFHSA-N -1 3 360.454 2.798 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000183662594 509913231 /nfs/dbraw/zinc/91/32/31/509913231.db2.gz ULMCCHJLYDCTQE-UHFFFAOYSA-N -1 3 363.826 2.519 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000183663630 509915572 /nfs/dbraw/zinc/91/55/72/509915572.db2.gz OWQZCKWFCVCNRR-UHFFFAOYSA-N -1 3 362.838 2.668 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccc(CNC(=O)OC(C)C)cc2)c1[O-] ZINC000265335209 509998476 /nfs/dbraw/zinc/99/84/76/509998476.db2.gz XZHMAKXPUVKDJD-UFFVCSGVSA-N -1 3 357.410 2.973 20 30 FFEDHM CC(=O)c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)c1 ZINC000171214131 510012443 /nfs/dbraw/zinc/01/24/43/510012443.db2.gz OGCVTVAATRFIGG-UHFFFAOYSA-N -1 3 356.353 2.743 20 30 FFEDHM CC[C@@H](CC#N)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183935863 510046103 /nfs/dbraw/zinc/04/61/03/510046103.db2.gz FHKGYNBCEPPWQU-LBPRGKRZSA-N -1 3 372.450 2.760 20 30 FFEDHM C=CCOc1ccccc1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000171310293 510071560 /nfs/dbraw/zinc/07/15/60/510071560.db2.gz YFWCYMKJOAWWCV-UHFFFAOYSA-N -1 3 366.417 2.555 20 30 FFEDHM C[C@](O)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000190377104 510096053 /nfs/dbraw/zinc/09/60/53/510096053.db2.gz LUTQCQSJNDFCMW-INIZCTEOSA-N -1 3 356.875 2.821 20 30 FFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000187245598 510146841 /nfs/dbraw/zinc/14/68/41/510146841.db2.gz HYYHNGSXGNFREW-OCCSQVGLSA-N -1 3 372.874 2.726 20 30 FFEDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184159479 510167099 /nfs/dbraw/zinc/16/70/99/510167099.db2.gz LERDNERZXDAQOH-UHFFFAOYSA-N -1 3 365.842 2.874 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCCO)Cc1ccccc1 ZINC000268984516 510176096 /nfs/dbraw/zinc/17/60/96/510176096.db2.gz CDWYEYDOBDCQPR-UHFFFAOYSA-N -1 3 367.449 2.620 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H](NCc3cccc(Cl)c3[O-])C2=O)cc1 ZINC000190837668 510366838 /nfs/dbraw/zinc/36/68/38/510366838.db2.gz JPBYIPVPDKGITM-QGZVFWFLSA-N -1 3 355.825 2.808 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(=O)Nc2ccccc2)c1 ZINC000184694912 510467879 /nfs/dbraw/zinc/46/78/79/510467879.db2.gz TWZUKQFWKXXUCH-UHFFFAOYSA-N -1 3 363.826 2.519 20 30 FFEDHM C[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000194719315 510494032 /nfs/dbraw/zinc/49/40/32/510494032.db2.gz OXHIXEFODLSOJX-GFCCVEGCSA-N -1 3 361.398 2.658 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C2CCCC2)nn1C ZINC000182290204 510843733 /nfs/dbraw/zinc/84/37/33/510843733.db2.gz FUCDDZAZVWXQAO-UHFFFAOYSA-N -1 3 367.453 2.826 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2CC=CCC2)CCCC1 ZINC000329930688 510880343 /nfs/dbraw/zinc/88/03/43/510880343.db2.gz ZUOIWJHXVSVQKQ-CQSZACIVSA-N -1 3 367.471 2.948 20 30 FFEDHM O=C(NCc1ncccc1[O-])c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000329949353 510884351 /nfs/dbraw/zinc/88/43/51/510884351.db2.gz ZWKVETJZXGJXPK-UHFFFAOYSA-N -1 3 364.405 2.728 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000330137507 510923666 /nfs/dbraw/zinc/92/36/66/510923666.db2.gz UXLKFGVVGXLSIH-ZDUSSCGKSA-N -1 3 368.441 2.854 20 30 FFEDHM CC1(C)CCC[C@](O)(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000331253531 511055031 /nfs/dbraw/zinc/05/50/31/511055031.db2.gz RRNBRVWMOXVLBQ-QGZVFWFLSA-N -1 3 372.462 2.833 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000271265809 511142621 /nfs/dbraw/zinc/14/26/21/511142621.db2.gz LZGHEAHKANSQHX-UHFFFAOYSA-N -1 3 367.446 2.851 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000291605815 511264693 /nfs/dbraw/zinc/26/46/93/511264693.db2.gz APSRIFQYYWVFNA-OAHLLOKOSA-N -1 3 352.387 2.655 20 30 FFEDHM Cc1cc(C)cc([C@@H](O)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000283197006 511273184 /nfs/dbraw/zinc/27/31/84/511273184.db2.gz RCZRBCYYBTZLTJ-IBGZPJMESA-N -1 3 367.449 2.675 20 30 FFEDHM CCOc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cn1 ZINC000273671268 511569502 /nfs/dbraw/zinc/56/95/02/511569502.db2.gz BPHJSJLYQSOYJV-UHFFFAOYSA-N -1 3 365.393 2.905 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccccc2CN2CCSCC2)c1[O-] ZINC000299393370 511618750 /nfs/dbraw/zinc/61/87/50/511618750.db2.gz OKMYQYDYHFEKRI-SRZZPIQSSA-N -1 3 357.479 2.887 20 30 FFEDHM CC[C@H](C)[N-]C(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1cccc([O-])c1 ZINC000299639930 511665573 /nfs/dbraw/zinc/66/55/73/511665573.db2.gz UEKZYYGKUVDMCL-LBPRGKRZSA-O -1 3 373.454 2.735 20 30 FFEDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000292869063 511752264 /nfs/dbraw/zinc/75/22/64/511752264.db2.gz SEKWBCIIJJYPEQ-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1C#N ZINC000314109942 511793005 /nfs/dbraw/zinc/79/30/05/511793005.db2.gz IDFLTZXWSSLIGQ-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM C=CCCCCNC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000274516014 511860638 /nfs/dbraw/zinc/86/06/38/511860638.db2.gz MJIHWIFQALLZJI-UHFFFAOYSA-N -1 3 368.437 2.823 20 30 FFEDHM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(F)cc2nn[n-]c21 ZINC000328652888 511909785 /nfs/dbraw/zinc/90/97/85/511909785.db2.gz KUFFHIHFXOJCPZ-YPMHNXCESA-N -1 3 359.405 2.583 20 30 FFEDHM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(F)cc2[n-]nnc21 ZINC000328652888 511909789 /nfs/dbraw/zinc/90/97/89/511909789.db2.gz KUFFHIHFXOJCPZ-YPMHNXCESA-N -1 3 359.405 2.583 20 30 FFEDHM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(F)cc2n[n-]nc21 ZINC000328652888 511909796 /nfs/dbraw/zinc/90/97/96/511909796.db2.gz KUFFHIHFXOJCPZ-YPMHNXCESA-N -1 3 359.405 2.583 20 30 FFEDHM Cc1nc(C)c(CCC(=O)NC2CCN(c3nccs3)CC2)c(=O)[n-]1 ZINC000328824481 511937847 /nfs/dbraw/zinc/93/78/47/511937847.db2.gz PRDACEMJZMGXDG-UHFFFAOYSA-N -1 3 361.471 2.814 20 30 FFEDHM CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000329029934 511971151 /nfs/dbraw/zinc/97/11/51/511971151.db2.gz AQTZNYQYLZRAMN-BEFAXECRSA-N -1 3 372.425 2.643 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(=O)c4ccccc4[n-]3)n2)c1 ZINC000367535432 512547714 /nfs/dbraw/zinc/54/77/14/512547714.db2.gz HVSJSCDPPBADSP-UHFFFAOYSA-N -1 3 369.384 2.720 20 30 FFEDHM C[C@H](NC(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(C)(F)F ZINC000411571763 512696185 /nfs/dbraw/zinc/69/61/85/512696185.db2.gz HLAIORZOAHQNDH-WKEGUHRASA-N -1 3 374.256 2.844 20 30 FFEDHM CCOC[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000417663029 513147039 /nfs/dbraw/zinc/14/70/39/513147039.db2.gz VXLXGJGWIMVEIB-LJQANCHMSA-N -1 3 354.406 2.717 20 30 FFEDHM CC[C@H](CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1)OC ZINC000421241452 513173338 /nfs/dbraw/zinc/17/33/38/513173338.db2.gz XMPUWDXDWNUURM-CHWSQXEVSA-N -1 3 350.362 2.614 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000447254417 513426115 /nfs/dbraw/zinc/42/61/15/513426115.db2.gz BMPAIXUTWPMEBZ-UHFFFAOYSA-N -1 3 357.370 2.592 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000429918403 513497905 /nfs/dbraw/zinc/49/79/05/513497905.db2.gz CIHXSZNUWMVIPW-UHFFFAOYSA-N -1 3 372.874 2.727 20 30 FFEDHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)N2CCCC2)o1 ZINC000435421552 513578776 /nfs/dbraw/zinc/57/87/76/513578776.db2.gz JZNSTBYKGGWRAE-CQSZACIVSA-N -1 3 365.480 2.637 20 30 FFEDHM Cn1cc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c2ccc(F)cc21 ZINC000435425899 513580670 /nfs/dbraw/zinc/58/06/70/513580670.db2.gz FHPJDAPZKQZJOP-UHFFFAOYSA-N -1 3 363.439 2.772 20 30 FFEDHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435433367 513585286 /nfs/dbraw/zinc/58/52/86/513585286.db2.gz RUSUPGRYGCDOKU-HIFRSBDPSA-N -1 3 361.492 2.734 20 30 FFEDHM Cc1ccccc1[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1)N(C)C ZINC000435443416 513591974 /nfs/dbraw/zinc/59/19/74/513591974.db2.gz QNVAUIQMHCQLRL-GUYCJALGSA-N -1 3 363.508 2.898 20 30 FFEDHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000447927770 513626859 /nfs/dbraw/zinc/62/68/59/513626859.db2.gz FXJKMSLXAQTFLC-ZDUSSCGKSA-N -1 3 359.875 3.000 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(-c2ccco2)cc1F ZINC000447944997 513633650 /nfs/dbraw/zinc/63/36/50/513633650.db2.gz ORFJFOYRWFCWAQ-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM COC(=O)c1cnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1 ZINC000448134333 513682947 /nfs/dbraw/zinc/68/29/47/513682947.db2.gz IZYMDUDVXSXAMK-UHFFFAOYSA-N -1 3 354.347 2.709 20 30 FFEDHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000416531742 513820272 /nfs/dbraw/zinc/82/02/72/513820272.db2.gz FNGNZZASBQUDOR-ZDUSSCGKSA-N -1 3 374.422 2.551 20 30 FFEDHM COC(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCC(C)CC1 ZINC000443003201 513839458 /nfs/dbraw/zinc/83/94/58/513839458.db2.gz BFVANHJLZSLDRU-UHFFFAOYSA-N -1 3 370.858 2.612 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCOc1ccccc1 ZINC000443095601 513870632 /nfs/dbraw/zinc/87/06/32/513870632.db2.gz SFKUXDFVLZJIRH-UHFFFAOYSA-N -1 3 350.827 2.959 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H](O)C(C)C ZINC000416626789 513874674 /nfs/dbraw/zinc/87/46/74/513874674.db2.gz QJTYCGDHFPGMRV-TZMCWYRMSA-N -1 3 364.389 2.651 20 30 FFEDHM N#Cc1cccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436771975 513973641 /nfs/dbraw/zinc/97/36/41/513973641.db2.gz CIBZJISMWJOKQU-UHFFFAOYSA-N -1 3 364.405 2.690 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000436975525 514057634 /nfs/dbraw/zinc/05/76/34/514057634.db2.gz BCIPZGAAAUIKDD-NSHDSACASA-N -1 3 368.393 2.705 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000451913923 514066062 /nfs/dbraw/zinc/06/60/62/514066062.db2.gz YFTIMFHUWIHJGI-NEPJUHHUSA-N -1 3 364.236 2.600 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427746931 514300097 /nfs/dbraw/zinc/30/00/97/514300097.db2.gz JMMDWKYNTCLUAO-JTQLQIEISA-N -1 3 354.325 2.941 20 30 FFEDHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428413012 514469604 /nfs/dbraw/zinc/46/96/04/514469604.db2.gz JYMWIYKJFTYGEH-VQIMIIECSA-N -1 3 371.462 2.708 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1ccccc1Cl ZINC000428411666 514469622 /nfs/dbraw/zinc/46/96/22/514469622.db2.gz TWAYDSPDIMJSOD-LBPRGKRZSA-N -1 3 365.842 2.743 20 30 FFEDHM COC(=O)c1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)cc(C(=O)OC)c1 ZINC000445520868 514489208 /nfs/dbraw/zinc/48/92/08/514489208.db2.gz NROXSEGJUBTTPN-UHFFFAOYSA-N -1 3 374.299 2.662 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1COc2ccc(F)cc21 ZINC000466233601 514585159 /nfs/dbraw/zinc/58/51/59/514585159.db2.gz HQYBCIZLOSCJOV-MRXNPFEDSA-N -1 3 355.369 2.597 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000466514822 514668980 /nfs/dbraw/zinc/66/89/80/514668980.db2.gz MDPIGZYSIZXBMA-UHFFFAOYSA-N -1 3 357.819 2.752 20 30 FFEDHM COC[C@@](C)([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000479901823 514767695 /nfs/dbraw/zinc/76/76/95/514767695.db2.gz JZGBWKAKKGCOMJ-MRVPVSSYSA-N -1 3 361.229 2.674 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000466893976 514817472 /nfs/dbraw/zinc/81/74/72/514817472.db2.gz MHRSZTJZWROMOB-ZDUSSCGKSA-N -1 3 364.389 2.916 20 30 FFEDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000503224534 514968341 /nfs/dbraw/zinc/96/83/41/514968341.db2.gz SHWVUJVPGFRUNK-UHFFFAOYSA-N -1 3 363.414 2.748 20 30 FFEDHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476304330 514991761 /nfs/dbraw/zinc/99/17/61/514991761.db2.gz HLYBVIVAJXWIFA-HNNXBMFYSA-N -1 3 366.483 2.856 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2F)c(Cl)c1 ZINC000503444715 515036029 /nfs/dbraw/zinc/03/60/29/515036029.db2.gz APZNUDUBSPBVEC-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM CCOc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCC(=O)OC ZINC000503567955 515084593 /nfs/dbraw/zinc/08/45/93/515084593.db2.gz SXNLUIMMYXIAMT-CYBMUJFWSA-N -1 3 374.418 2.892 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1(CO)CCC1 ZINC000490140521 515120787 /nfs/dbraw/zinc/12/07/87/515120787.db2.gz WDLYJTGBBWQECE-HNNXBMFYSA-N -1 3 356.875 2.677 20 30 FFEDHM C=CCC1(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000456383419 515144326 /nfs/dbraw/zinc/14/43/26/515144326.db2.gz OWOIGEBRTFRCDF-CYBMUJFWSA-N -1 3 356.513 2.810 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000481071353 515197006 /nfs/dbraw/zinc/19/70/06/515197006.db2.gz MZKXZZHCAZWHCH-QGZVFWFLSA-N -1 3 366.389 2.644 20 30 FFEDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H]1C ZINC000481601792 515398115 /nfs/dbraw/zinc/39/81/15/515398115.db2.gz DSYDDZGWSBRQSH-FRRDWIJNSA-N -1 3 351.428 2.817 20 30 FFEDHM CC(C)(CC#N)CNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000459262895 515431521 /nfs/dbraw/zinc/43/15/21/515431521.db2.gz WCEYALYBJWKOKD-UHFFFAOYSA-N -1 3 358.442 2.692 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cs1 ZINC000486515031 515520474 /nfs/dbraw/zinc/52/04/74/515520474.db2.gz PPAUBUXJFBHAKM-UHFFFAOYSA-N -1 3 356.812 2.861 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)c(Cl)c1 ZINC000493106951 515597698 /nfs/dbraw/zinc/59/76/98/515597698.db2.gz PYXLLUQATTYIQD-UHFFFAOYSA-N -1 3 373.825 2.652 20 30 FFEDHM N#CC1(F)CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000500139735 515605558 /nfs/dbraw/zinc/60/55/58/515605558.db2.gz DIWXQOSHILCPHO-UHFFFAOYSA-N -1 3 356.195 2.692 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493769733 515662676 /nfs/dbraw/zinc/66/26/76/515662676.db2.gz SNEHSKKLLYNWGZ-VIFPVBQESA-N -1 3 368.680 2.565 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000500487495 515736979 /nfs/dbraw/zinc/73/69/79/515736979.db2.gz MMUIVOSDYVYYHT-SNVBAGLBSA-N -1 3 351.653 2.929 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1c(F)cncc1F ZINC000511030919 515752491 /nfs/dbraw/zinc/75/24/91/515752491.db2.gz PQJXOOBFSYITFJ-SECBINFHSA-N -1 3 355.341 2.551 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c1 ZINC000500938099 515911940 /nfs/dbraw/zinc/91/19/40/515911940.db2.gz HYYOGMIYIGIGFT-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000543896389 516486975 /nfs/dbraw/zinc/48/69/75/516486975.db2.gz CSGTYRAODOZAIT-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1F ZINC000561321192 516521934 /nfs/dbraw/zinc/52/19/34/516521934.db2.gz VANWHZFRTFMRPS-UHFFFAOYSA-N -1 3 373.409 2.541 20 30 FFEDHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000544100990 516581708 /nfs/dbraw/zinc/58/17/08/516581708.db2.gz FTOKJSJLSKVFTF-INIZCTEOSA-N -1 3 366.483 2.736 20 30 FFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000551206803 516605896 /nfs/dbraw/zinc/60/58/96/516605896.db2.gz GSMRUYMSEJLNAT-UHFFFAOYSA-N -1 3 352.774 2.512 20 30 FFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000551205203 516605952 /nfs/dbraw/zinc/60/59/52/516605952.db2.gz GYOXTEXGAOBQJF-LLVKDONJSA-N -1 3 361.847 2.768 20 30 FFEDHM COC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)cn1 ZINC000561517148 516628191 /nfs/dbraw/zinc/62/81/91/516628191.db2.gz DMLXOZFJKITQRR-SECBINFHSA-N -1 3 356.407 2.573 20 30 FFEDHM Cc1sc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000551551376 516755040 /nfs/dbraw/zinc/75/50/40/516755040.db2.gz FLCAVJNRYAWYFK-UHFFFAOYSA-N -1 3 363.420 2.804 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000548145782 516790801 /nfs/dbraw/zinc/79/08/01/516790801.db2.gz FQFOIHKSXPURHB-CYBMUJFWSA-N -1 3 360.863 2.726 20 30 FFEDHM COc1ccc([O-])c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000541143600 516897900 /nfs/dbraw/zinc/89/79/00/516897900.db2.gz MJYJHEDCYQJVML-UHFFFAOYSA-N -1 3 368.780 2.786 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000537018459 517003879 /nfs/dbraw/zinc/00/38/79/517003879.db2.gz BEIJFRUYGYJWGL-VIFPVBQESA-N -1 3 368.680 2.565 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000552040406 517046288 /nfs/dbraw/zinc/04/62/88/517046288.db2.gz GEJVOLIZHZIKCP-AWEZNQCLSA-N -1 3 359.389 2.807 20 30 FFEDHM N#CCC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000555861562 517158120 /nfs/dbraw/zinc/15/81/20/517158120.db2.gz JMXUGPGXFHPCCC-UHFFFAOYSA-N -1 3 360.211 2.714 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)c(C(F)(F)F)c1 ZINC000562730311 517348684 /nfs/dbraw/zinc/34/86/84/517348684.db2.gz VRRJKVFMLCNXKY-UHFFFAOYSA-N -1 3 371.340 2.921 20 30 FFEDHM CCNc1ccc(C#N)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000562857784 517461136 /nfs/dbraw/zinc/46/11/36/517461136.db2.gz RXRGGCMDFBZFBB-UHFFFAOYSA-N -1 3 358.423 2.614 20 30 FFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCC1 ZINC000533552542 517521695 /nfs/dbraw/zinc/52/16/95/517521695.db2.gz GMLPAEABXVNCAS-UHFFFAOYSA-N -1 3 368.430 2.630 20 30 FFEDHM CN(CCOCCC#N)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000549405353 517548423 /nfs/dbraw/zinc/54/84/23/517548423.db2.gz MCPIEQRWSVZACC-UHFFFAOYSA-N -1 3 373.478 2.849 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000538331789 517569474 /nfs/dbraw/zinc/56/94/74/517569474.db2.gz QKKIAFXCHPVNPV-HNNXBMFYSA-N -1 3 373.478 2.779 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(CC#N)cc2)cc1OC ZINC000533907505 517662805 /nfs/dbraw/zinc/66/28/05/517662805.db2.gz UEOAVXRPQPCEOR-UHFFFAOYSA-N -1 3 373.434 2.775 20 30 FFEDHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000542833272 517772741 /nfs/dbraw/zinc/77/27/41/517772741.db2.gz WYORKCGUPNAYCR-UHFFFAOYSA-N -1 3 370.409 2.670 20 30 FFEDHM N#CCCNc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000556990267 517792487 /nfs/dbraw/zinc/79/24/87/517792487.db2.gz KHVVHXMWMKDYEM-UHFFFAOYSA-N -1 3 359.407 2.584 20 30 FFEDHM CCC[C@]1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCOC1 ZINC000553883193 517950080 /nfs/dbraw/zinc/95/00/80/517950080.db2.gz YSGJULKTZZMQJB-AWEZNQCLSA-N -1 3 373.272 2.558 20 30 FFEDHM Cc1ncc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000543327481 518026823 /nfs/dbraw/zinc/02/68/23/518026823.db2.gz UWZIRMNNUSIPIY-UHFFFAOYSA-N -1 3 351.288 2.703 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)c(F)c1 ZINC000547331080 518083048 /nfs/dbraw/zinc/08/30/48/518083048.db2.gz KRXCFFOXUOIVHU-UHFFFAOYSA-N -1 3 360.410 2.723 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H]3CC[C@@H](C)O3)no2)ccc1F ZINC000528248416 518155422 /nfs/dbraw/zinc/15/54/22/518155422.db2.gz SPEHJJUEXKYVKA-MFKMUULPSA-N -1 3 367.402 2.580 20 30 FFEDHM CC[C@@H](C)N[C@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccco1 ZINC000581843825 518463778 /nfs/dbraw/zinc/46/37/78/518463778.db2.gz IUPPRAQFWFWYLG-BXUZGUMPSA-N -1 3 374.466 2.833 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000567434360 518519156 /nfs/dbraw/zinc/51/91/56/518519156.db2.gz UJCCMCROGFMLRC-HNNXBMFYSA-N -1 3 352.394 2.671 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)o1 ZINC000579156049 518545850 /nfs/dbraw/zinc/54/58/50/518545850.db2.gz VSDMDCMOJLATSX-UHFFFAOYSA-N -1 3 363.139 2.993 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000588120023 518728962 /nfs/dbraw/zinc/72/89/62/518728962.db2.gz FUJLAFITRYAHFH-MRVPVSSYSA-N -1 3 365.199 2.787 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)CCC1 ZINC000589228251 518957346 /nfs/dbraw/zinc/95/73/46/518957346.db2.gz WVAVPLVIMXFUFV-QGZVFWFLSA-N -1 3 359.426 2.923 20 30 FFEDHM C=CCC[C@@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000580044573 518976563 /nfs/dbraw/zinc/97/65/63/518976563.db2.gz WSKPAHKXNVFMOT-MRXNPFEDSA-N -1 3 351.491 2.751 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000571350993 519052065 /nfs/dbraw/zinc/05/20/65/519052065.db2.gz FOCANRIBOZHASE-GTNSWQLSSA-N -1 3 366.389 2.891 20 30 FFEDHM CC(C)(C)OC(=O)C(C)(C)CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000568503247 519073278 /nfs/dbraw/zinc/07/32/78/519073278.db2.gz JOUNOFLUBHBXKQ-UHFFFAOYSA-N -1 3 370.446 2.734 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(O[C@@H]4CCOC4)cc3)nc1-2 ZINC000577578420 519146837 /nfs/dbraw/zinc/14/68/37/519146837.db2.gz IIHMSBINNMLKLX-HZPDHXFCSA-N -1 3 362.389 2.924 20 30 FFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000578074042 519403072 /nfs/dbraw/zinc/40/30/72/519403072.db2.gz IFFCNNHJNRBHCQ-AWEZNQCLSA-N -1 3 370.272 2.927 20 30 FFEDHM C=CC[C@@H]1N(C(=O)C[N-]S(=O)(=O)c2ccccc2F)CCCC1(C)C ZINC000578104736 519417521 /nfs/dbraw/zinc/41/75/21/519417521.db2.gz PZCUBLYIWGTSLN-INIZCTEOSA-N -1 3 368.474 2.697 20 30 FFEDHM Cc1ccc([C@@H](Cn2ccnc2)[N-]S(=O)(=O)c2ccc(C#N)o2)c(C)c1 ZINC000572349773 519569281 /nfs/dbraw/zinc/56/92/81/519569281.db2.gz BUQHCVGAMYBSGG-QGZVFWFLSA-N -1 3 370.434 2.684 20 30 FFEDHM COCC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCC1 ZINC000572379597 519586082 /nfs/dbraw/zinc/58/60/82/519586082.db2.gz LETUYJCTBZNCTF-UHFFFAOYSA-N -1 3 373.272 2.558 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594482724 519990841 /nfs/dbraw/zinc/99/08/41/519990841.db2.gz DLOILGKYDHXRKG-LSDHHAIUSA-N -1 3 353.875 2.507 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CO)CC1CC1 ZINC000594766957 520143929 /nfs/dbraw/zinc/14/39/29/520143929.db2.gz ZAPSJYSMKAHBDG-CYBMUJFWSA-N -1 3 350.465 2.521 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CC[C@H](CO)CC1 ZINC000594764866 520144727 /nfs/dbraw/zinc/14/47/27/520144727.db2.gz CVIRREKCLOCHNG-MQMHXKEQSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)n1 ZINC000608878925 520152883 /nfs/dbraw/zinc/15/28/83/520152883.db2.gz QMVHZOYZNGHACR-UHFFFAOYSA-N -1 3 359.389 2.668 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603263815 520187720 /nfs/dbraw/zinc/18/77/20/520187720.db2.gz NSZNYIWSTUFTLW-UHFFFAOYSA-N -1 3 360.329 2.743 20 30 FFEDHM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2)c(F)c1 ZINC000594853960 520190099 /nfs/dbraw/zinc/19/00/99/520190099.db2.gz BOHCHSYUGWVTSZ-CYBMUJFWSA-N -1 3 369.437 2.522 20 30 FFEDHM CCC(O)(CC)C(C)(C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597944327 520342609 /nfs/dbraw/zinc/34/26/09/520342609.db2.gz LGQXLAGIYZXGSM-UHFFFAOYSA-N -1 3 361.486 2.902 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)cn1CC1CC1 ZINC000595337513 520415277 /nfs/dbraw/zinc/41/52/77/520415277.db2.gz XWGOLSLMMRHBAB-UHFFFAOYSA-N -1 3 350.488 2.608 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCC(F)CC1 ZINC000595357658 520428002 /nfs/dbraw/zinc/42/80/02/520428002.db2.gz BTMTZGIUVJPEKR-UNXYVOJBSA-N -1 3 355.391 2.662 20 30 FFEDHM N#CCC1(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000595369855 520434852 /nfs/dbraw/zinc/43/48/52/520434852.db2.gz IPNCXPZSHYGIHS-LBPRGKRZSA-N -1 3 363.266 2.640 20 30 FFEDHM CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000613345369 520457357 /nfs/dbraw/zinc/45/73/57/520457357.db2.gz JMTFLVPQKJOGTG-SJLPKXTDSA-N -1 3 367.453 2.793 20 30 FFEDHM C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610083329 520534237 /nfs/dbraw/zinc/53/42/37/520534237.db2.gz WVBTXGSHDBJDLK-PBHICJAKSA-N -1 3 373.453 2.811 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@](C)(C#N)C3)nc(=O)c2c1C ZINC000595837974 520758002 /nfs/dbraw/zinc/75/80/02/520758002.db2.gz ORJJWCVDSVTGNG-ADLMAVQZSA-N -1 3 374.466 2.766 20 30 FFEDHM Cc1nc([N-]C(=O)[C@@H](C)OC2CCCCCC2)n(-c2ccc(C#N)cc2)n1 ZINC000610757748 520831019 /nfs/dbraw/zinc/83/10/19/520831019.db2.gz VUGKQZFZIYJDNE-CQSZACIVSA-N -1 3 367.453 2.936 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C#N)oc3C)sc2C1 ZINC000598892354 520905295 /nfs/dbraw/zinc/90/52/95/520905295.db2.gz YNAIXXKSAOXLRX-UHFFFAOYSA-N -1 3 354.391 2.550 20 30 FFEDHM COc1ccc([O-])c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593352745 520932192 /nfs/dbraw/zinc/93/21/92/520932192.db2.gz MFMUFQZKBYZJEX-UHFFFAOYSA-N -1 3 365.433 2.667 20 30 FFEDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000611024271 520950735 /nfs/dbraw/zinc/95/07/35/520950735.db2.gz SDDDICVCXOYEGF-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C12CCC2 ZINC000611023242 520950987 /nfs/dbraw/zinc/95/09/87/520950987.db2.gz FBDJRJPZPCGSKL-GJZGRUSLSA-N -1 3 354.859 2.838 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(F)c1 ZINC000611114192 520991863 /nfs/dbraw/zinc/99/18/63/520991863.db2.gz NRKXNEPMPWZFBL-HNNXBMFYSA-N -1 3 353.419 2.535 20 30 FFEDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1ccccn1 ZINC000593542801 521064021 /nfs/dbraw/zinc/06/40/21/521064021.db2.gz JJUZZUCYJFBEPE-MRXNPFEDSA-N -1 3 373.434 2.560 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCCN1Cc1ccccc1 ZINC000593546451 521065473 /nfs/dbraw/zinc/06/54/73/521065473.db2.gz LDVRGWSPENBVBC-OAHLLOKOSA-N -1 3 361.492 2.563 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCCN1Cc1ccccc1 ZINC000593546450 521066190 /nfs/dbraw/zinc/06/61/90/521066190.db2.gz LDVRGWSPENBVBC-HNNXBMFYSA-N -1 3 361.492 2.563 20 30 FFEDHM O=C(CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[N-]CC(F)(F)F ZINC000618449711 521070311 /nfs/dbraw/zinc/07/03/11/521070311.db2.gz IMWNTLZCPAXKDW-KNVOCYPGSA-N -1 3 360.220 2.728 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Cl)cc1 ZINC000593559575 521076874 /nfs/dbraw/zinc/07/68/74/521076874.db2.gz XHWMMZHUUDSARF-CYBMUJFWSA-N -1 3 369.899 2.854 20 30 FFEDHM CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593571212 521083240 /nfs/dbraw/zinc/08/32/40/521083240.db2.gz CEKVDFGYWGXGAS-UHFFFAOYSA-N -1 3 370.496 2.799 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593624431 521114019 /nfs/dbraw/zinc/11/40/19/521114019.db2.gz VIYARVFVSSTIAI-UHFFFAOYSA-N -1 3 368.256 2.683 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]CC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000599346637 521166609 /nfs/dbraw/zinc/16/66/09/521166609.db2.gz MZHFLMFEKRADGE-MRXNPFEDSA-N -1 3 354.447 2.907 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]2CCCO[C@H]21 ZINC000611539233 521208908 /nfs/dbraw/zinc/20/89/08/521208908.db2.gz GMIYHBOUKXNCSU-KCPJHIHWSA-N -1 3 354.859 2.694 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)sc2c1CCCCC2 ZINC000602225363 521221423 /nfs/dbraw/zinc/22/14/23/521221423.db2.gz BRYKFYQHOCNWOV-GFCCVEGCSA-N -1 3 371.466 2.769 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000620310035 522173794 /nfs/dbraw/zinc/17/37/94/522173794.db2.gz IDQYDVDTZTXAOJ-CALCHBBNSA-N -1 3 364.449 2.783 20 30 FFEDHM N#CC(=C([O-])c1ccnn1CCc1ccccc1)c1nnc2n1CCCCC2 ZINC000621707308 523030568 /nfs/dbraw/zinc/03/05/68/523030568.db2.gz SNKUBHIKKAWYIZ-KRWDZBQOSA-N -1 3 374.448 2.934 20 30 FFEDHM C=CCN(CCOC)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482127619 561248840 /nfs/dbraw/zinc/24/88/40/561248840.db2.gz FCZNHZKRUOLJNZ-UHFFFAOYSA-N -1 3 353.220 2.763 20 30 FFEDHM CCN=c1[n-]c(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cs1 ZINC000491996099 561448771 /nfs/dbraw/zinc/44/87/71/561448771.db2.gz MEVGCUFUJOUXHG-UHFFFAOYSA-N -1 3 352.423 2.767 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000736308621 598866426 /nfs/dbraw/zinc/86/64/26/598866426.db2.gz FLPPUZLLQRHHFE-LBPRGKRZSA-N -1 3 368.422 2.539 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000736308621 598866428 /nfs/dbraw/zinc/86/64/28/598866428.db2.gz FLPPUZLLQRHHFE-LBPRGKRZSA-N -1 3 368.422 2.539 20 30 FFEDHM Cc1cc2ccccc2n1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737283655 598913700 /nfs/dbraw/zinc/91/37/00/598913700.db2.gz FWGKPAXBCXQCHN-UHFFFAOYSA-N -1 3 357.377 2.640 20 30 FFEDHM Cc1cc2ccccc2n1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737283655 598913701 /nfs/dbraw/zinc/91/37/01/598913701.db2.gz FWGKPAXBCXQCHN-UHFFFAOYSA-N -1 3 357.377 2.640 20 30 FFEDHM COc1ccc2nc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)ccc2c1 ZINC000737121397 598915158 /nfs/dbraw/zinc/91/51/58/598915158.db2.gz YHAYXOWFLPGMET-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM COc1ccc2nc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)ccc2c1 ZINC000737121397 598915159 /nfs/dbraw/zinc/91/51/59/598915159.db2.gz YHAYXOWFLPGMET-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(Br)c2)ccc1-c1nnn[n-]1 ZINC000737709896 598915787 /nfs/dbraw/zinc/91/57/87/598915787.db2.gz RVWZOVZUSLRHIF-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(Br)c2)ccc1-c1nn[n-]n1 ZINC000737709896 598915788 /nfs/dbraw/zinc/91/57/88/598915788.db2.gz RVWZOVZUSLRHIF-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OCC3CC3)cc2)ccc1-c1nnn[n-]1 ZINC000737710033 598918949 /nfs/dbraw/zinc/91/89/49/598918949.db2.gz UJUYYGYAYHVYOG-UHFFFAOYSA-N -1 3 360.377 2.779 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OCC3CC3)cc2)ccc1-c1nn[n-]n1 ZINC000737710033 598918951 /nfs/dbraw/zinc/91/89/51/598918951.db2.gz UJUYYGYAYHVYOG-UHFFFAOYSA-N -1 3 360.377 2.779 20 30 FFEDHM Cc1cc(Br)oc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737231351 598920702 /nfs/dbraw/zinc/92/07/02/598920702.db2.gz OSJCWJOFKBKOJJ-UHFFFAOYSA-N -1 3 373.170 2.655 20 30 FFEDHM Cc1cc(Br)oc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737231351 598920704 /nfs/dbraw/zinc/92/07/04/598920704.db2.gz OSJCWJOFKBKOJJ-UHFFFAOYSA-N -1 3 373.170 2.655 20 30 FFEDHM COc1ccccc1C(C)=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737140450 598930037 /nfs/dbraw/zinc/93/00/37/598930037.db2.gz DDNYHTQGYYPUET-FMIVXFBMSA-N -1 3 360.377 2.789 20 30 FFEDHM COc1ccccc1C(C)=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737140450 598930038 /nfs/dbraw/zinc/93/00/38/598930038.db2.gz DDNYHTQGYYPUET-FMIVXFBMSA-N -1 3 360.377 2.789 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C#N)cc1Cl ZINC000737032471 598938342 /nfs/dbraw/zinc/93/83/42/598938342.db2.gz MAYRQFREUJZFIJ-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C#N)cc1Cl ZINC000737032471 598938344 /nfs/dbraw/zinc/93/83/44/598938344.db2.gz MAYRQFREUJZFIJ-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2ccnc2C)cc1 ZINC000819772913 607254146 /nfs/dbraw/zinc/25/41/46/607254146.db2.gz MTSCBSJWBVKSOK-UHFFFAOYSA-N -1 3 372.436 2.875 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)nc2ccccn21 ZINC000819773179 607254157 /nfs/dbraw/zinc/25/41/57/607254157.db2.gz QZIJDDIYAFIYRV-UHFFFAOYSA-N -1 3 366.816 2.682 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)nc2ccccn21 ZINC000819773179 607254158 /nfs/dbraw/zinc/25/41/58/607254158.db2.gz QZIJDDIYAFIYRV-UHFFFAOYSA-N -1 3 366.816 2.682 20 30 FFEDHM FC(F)COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822732590 607254831 /nfs/dbraw/zinc/25/48/31/607254831.db2.gz LLZBEBUULDHIDI-UHFFFAOYSA-N -1 3 358.352 2.634 20 30 FFEDHM FC(F)COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822732590 607254832 /nfs/dbraw/zinc/25/48/32/607254832.db2.gz LLZBEBUULDHIDI-UHFFFAOYSA-N -1 3 358.352 2.634 20 30 FFEDHM N#Cc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c(F)c1 ZINC000737718218 599055187 /nfs/dbraw/zinc/05/51/87/599055187.db2.gz MIDNUWIWUOIYMT-UHFFFAOYSA-N -1 3 363.278 2.903 20 30 FFEDHM N#Cc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c(F)c1 ZINC000737718218 599055188 /nfs/dbraw/zinc/05/51/88/599055188.db2.gz MIDNUWIWUOIYMT-UHFFFAOYSA-N -1 3 363.278 2.903 20 30 FFEDHM C#CCOc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735387953 599055296 /nfs/dbraw/zinc/05/52/96/599055296.db2.gz MEHCLCBZIJURGA-UHFFFAOYSA-N -1 3 374.326 2.905 20 30 FFEDHM C#CCOc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735387953 599055299 /nfs/dbraw/zinc/05/52/99/599055299.db2.gz MEHCLCBZIJURGA-UHFFFAOYSA-N -1 3 374.326 2.905 20 30 FFEDHM C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736193935 599063013 /nfs/dbraw/zinc/06/30/13/599063013.db2.gz UZMALOIBVCGAGO-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736193935 599063015 /nfs/dbraw/zinc/06/30/15/599063015.db2.gz UZMALOIBVCGAGO-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737082693 599150802 /nfs/dbraw/zinc/15/08/02/599150802.db2.gz YBACRRUCOBJZSE-ALCCZGGFSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737082693 599150804 /nfs/dbraw/zinc/15/08/04/599150804.db2.gz YBACRRUCOBJZSE-ALCCZGGFSA-N -1 3 351.322 2.680 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000737716061 599196254 /nfs/dbraw/zinc/19/62/54/599196254.db2.gz KSZHYKFEFFUOKB-UONOGXRCSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000737716061 599196257 /nfs/dbraw/zinc/19/62/57/599196257.db2.gz KSZHYKFEFFUOKB-UONOGXRCSA-N -1 3 366.331 2.759 20 30 FFEDHM C#CCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735382256 599196528 /nfs/dbraw/zinc/19/65/28/599196528.db2.gz WQVRZZMJMOQQME-UHFFFAOYSA-N -1 3 353.769 2.675 20 30 FFEDHM C#CCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735382256 599196529 /nfs/dbraw/zinc/19/65/29/599196529.db2.gz WQVRZZMJMOQQME-UHFFFAOYSA-N -1 3 353.769 2.675 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822015833 607280470 /nfs/dbraw/zinc/28/04/70/607280470.db2.gz PMMGQBFQNOFJGK-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822015833 607280471 /nfs/dbraw/zinc/28/04/71/607280471.db2.gz PMMGQBFQNOFJGK-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379755 599253824 /nfs/dbraw/zinc/25/38/24/599253824.db2.gz GKORWRVQXSPVRT-GFCCVEGCSA-N -1 3 363.381 2.652 20 30 FFEDHM C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379755 599253827 /nfs/dbraw/zinc/25/38/27/599253827.db2.gz GKORWRVQXSPVRT-GFCCVEGCSA-N -1 3 363.381 2.652 20 30 FFEDHM CC1CCN([C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c2ccccc2)CC1 ZINC000820238325 597636933 /nfs/dbraw/zinc/63/69/33/597636933.db2.gz MZPLEDIPEVZDMG-PXNSSMCTSA-N -1 3 357.454 2.580 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736338556 598239374 /nfs/dbraw/zinc/23/93/74/598239374.db2.gz XJJNMJNDGGDCCA-UHFFFAOYSA-N -1 3 354.458 2.978 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736338556 598239375 /nfs/dbraw/zinc/23/93/75/598239375.db2.gz XJJNMJNDGGDCCA-UHFFFAOYSA-N -1 3 354.458 2.978 20 30 FFEDHM C=CCN(Cc1c(C)nn(C)c1Cl)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425344 598425566 /nfs/dbraw/zinc/42/55/66/598425566.db2.gz ACFSQEJYIVBDKO-UHFFFAOYSA-N -1 3 357.849 2.750 20 30 FFEDHM C=CCN(Cc1c(C)nn(C)c1Cl)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735425344 598425567 /nfs/dbraw/zinc/42/55/67/598425567.db2.gz ACFSQEJYIVBDKO-UHFFFAOYSA-N -1 3 357.849 2.750 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380122 598514060 /nfs/dbraw/zinc/51/40/60/598514060.db2.gz CVKSTLHSIUHHLU-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380122 598514061 /nfs/dbraw/zinc/51/40/61/598514061.db2.gz CVKSTLHSIUHHLU-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737713451 598547037 /nfs/dbraw/zinc/54/70/37/598547037.db2.gz XQWZKMGSTPMWIN-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737713451 598547039 /nfs/dbraw/zinc/54/70/39/598547039.db2.gz XQWZKMGSTPMWIN-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM Cc1cc(C(=O)OCCCC#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737242961 598623079 /nfs/dbraw/zinc/62/30/79/598623079.db2.gz QMAKVHHLGZHSMC-UHFFFAOYSA-N -1 3 350.382 2.735 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737730510 598644868 /nfs/dbraw/zinc/64/48/68/598644868.db2.gz MMLBGHFUWGJWOG-UHFFFAOYSA-N -1 3 363.377 2.893 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737730510 598644870 /nfs/dbraw/zinc/64/48/70/598644870.db2.gz MMLBGHFUWGJWOG-UHFFFAOYSA-N -1 3 363.377 2.893 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnn(C(C)C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202206 598762083 /nfs/dbraw/zinc/76/20/83/598762083.db2.gz LJFIAGJJDPJPOY-VOTSOKGWSA-N -1 3 351.414 2.596 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnn(C(C)C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202206 598762085 /nfs/dbraw/zinc/76/20/85/598762085.db2.gz LJFIAGJJDPJPOY-VOTSOKGWSA-N -1 3 351.414 2.596 20 30 FFEDHM CC(C)Oc1ccc(N=Cc2ccc(O)c(O)c2O)cc1-c1nnn[n-]1 ZINC000820155692 607366737 /nfs/dbraw/zinc/36/67/37/607366737.db2.gz VGQWFEDTYOGDBW-UHFFFAOYSA-N -1 3 355.354 2.521 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735437718 598818298 /nfs/dbraw/zinc/81/82/98/598818298.db2.gz PPVVQGZECYQWIS-UHFFFAOYSA-N -1 3 351.366 2.800 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735437718 598818300 /nfs/dbraw/zinc/81/83/00/598818300.db2.gz PPVVQGZECYQWIS-UHFFFAOYSA-N -1 3 351.366 2.800 20 30 FFEDHM FC(F)(F)c1ccccc1NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737636449 599456790 /nfs/dbraw/zinc/45/67/90/599456790.db2.gz SHCIBOBMBHTHOB-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM FC(F)(F)c1ccccc1NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737636449 599456792 /nfs/dbraw/zinc/45/67/92/599456792.db2.gz SHCIBOBMBHTHOB-UHFFFAOYSA-N -1 3 372.314 2.979 20 30 FFEDHM C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341804 599476198 /nfs/dbraw/zinc/47/61/98/599476198.db2.gz RQGBABCWYAAJGM-CYBMUJFWSA-N -1 3 361.409 2.641 20 30 FFEDHM C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341804 599476201 /nfs/dbraw/zinc/47/62/01/599476201.db2.gz RQGBABCWYAAJGM-CYBMUJFWSA-N -1 3 361.409 2.641 20 30 FFEDHM C#CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CCCCC1 ZINC000819702319 599566265 /nfs/dbraw/zinc/56/62/65/599566265.db2.gz YKSYHLUQYFFTOR-UHFFFAOYSA-N -1 3 363.425 2.685 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1-c1nnn[n-]1 ZINC000822829739 599631433 /nfs/dbraw/zinc/63/14/33/599631433.db2.gz GXSDSZJMGIUVGC-RXVVDRJESA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1-c1nn[n-]n1 ZINC000822829739 599631434 /nfs/dbraw/zinc/63/14/34/599631434.db2.gz GXSDSZJMGIUVGC-RXVVDRJESA-N -1 3 370.416 2.971 20 30 FFEDHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826316239 607432557 /nfs/dbraw/zinc/43/25/57/607432557.db2.gz IHVSPYXPOGZMQD-UONOGXRCSA-N -1 3 350.407 2.851 20 30 FFEDHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826316239 607432558 /nfs/dbraw/zinc/43/25/58/607432558.db2.gz IHVSPYXPOGZMQD-UONOGXRCSA-N -1 3 350.407 2.851 20 30 FFEDHM N#Cc1ccc([C@H](NCc2cc(Cl)c3c(c2)OCCO3)C(=O)[O-])cc1 ZINC000739108064 600594120 /nfs/dbraw/zinc/59/41/20/600594120.db2.gz TWEGKPQUNLMQBG-INIZCTEOSA-N -1 3 358.781 2.898 20 30 FFEDHM Cc1csc(=Nc2ccccn2)n1N=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826320385 607634193 /nfs/dbraw/zinc/63/41/93/607634193.db2.gz OSEARNLKWSILNX-UHFFFAOYSA-N -1 3 362.422 2.548 20 30 FFEDHM Cc1csc(=Nc2ccccn2)n1N=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826320385 607634195 /nfs/dbraw/zinc/63/41/95/607634195.db2.gz OSEARNLKWSILNX-UHFFFAOYSA-N -1 3 362.422 2.548 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000831064109 604223322 /nfs/dbraw/zinc/22/33/22/604223322.db2.gz BZPQKJWDRUIWKB-YWVKMMECSA-N -1 3 367.764 2.563 20 30 FFEDHM N#CCOc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000822814231 606069955 /nfs/dbraw/zinc/06/99/55/606069955.db2.gz COIKBMFRUCIVNB-UHFFFAOYSA-N -1 3 357.377 2.929 20 30 FFEDHM N#CCOc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000822814231 606069962 /nfs/dbraw/zinc/06/99/62/606069962.db2.gz COIKBMFRUCIVNB-UHFFFAOYSA-N -1 3 357.377 2.929 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833940218 606084390 /nfs/dbraw/zinc/08/43/90/606084390.db2.gz HVLCZBZYMHMJFQ-AWEZNQCLSA-N -1 3 354.410 2.920 20 30 FFEDHM C#Cc1cccc(N(C)CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000819709765 606109324 /nfs/dbraw/zinc/10/93/24/606109324.db2.gz OGAHXQKMOXZQRG-UHFFFAOYSA-N -1 3 366.450 2.601 20 30 FFEDHM C#Cc1cccc(N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000819709765 606109328 /nfs/dbraw/zinc/10/93/28/606109328.db2.gz OGAHXQKMOXZQRG-UHFFFAOYSA-N -1 3 366.450 2.601 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819751254 606219419 /nfs/dbraw/zinc/21/94/19/606219419.db2.gz STFGIDZCOPYBMR-UHFFFAOYSA-N -1 3 355.427 2.848 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819751254 606219421 /nfs/dbraw/zinc/21/94/21/606219421.db2.gz STFGIDZCOPYBMR-UHFFFAOYSA-N -1 3 355.427 2.848 20 30 FFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccccn2)c1C ZINC000819783334 606237578 /nfs/dbraw/zinc/23/75/78/606237578.db2.gz VIXMRVRHNZTKPG-UHFFFAOYSA-N -1 3 359.397 2.592 20 30 FFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccccn2)c1C ZINC000819783334 606237580 /nfs/dbraw/zinc/23/75/80/606237580.db2.gz VIXMRVRHNZTKPG-UHFFFAOYSA-N -1 3 359.397 2.592 20 30 FFEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820093275 606506452 /nfs/dbraw/zinc/50/64/52/606506452.db2.gz UOEBXGHAJRFHPZ-UHFFFAOYSA-N -1 3 374.448 2.966 20 30 FFEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820093275 606506454 /nfs/dbraw/zinc/50/64/54/606506454.db2.gz UOEBXGHAJRFHPZ-UHFFFAOYSA-N -1 3 374.448 2.966 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000819976073 606673264 /nfs/dbraw/zinc/67/32/64/606673264.db2.gz KTVMFKKEVSXOLK-UHFFFAOYSA-N -1 3 371.351 2.825 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000819976073 606673265 /nfs/dbraw/zinc/67/32/65/606673265.db2.gz KTVMFKKEVSXOLK-UHFFFAOYSA-N -1 3 371.351 2.825 20 30 FFEDHM Cc1ccc(C#N)cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822225273 606703141 /nfs/dbraw/zinc/70/31/41/606703141.db2.gz WIMRVYMKLNWJCT-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1ccc(C#N)cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822225273 606703144 /nfs/dbraw/zinc/70/31/44/606703144.db2.gz WIMRVYMKLNWJCT-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000821668940 607122515 /nfs/dbraw/zinc/12/25/15/607122515.db2.gz QZPKVHXYEGNVIN-OQFOIZHKSA-N -1 3 364.361 2.558 20 30 FFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000821668940 607122517 /nfs/dbraw/zinc/12/25/17/607122517.db2.gz QZPKVHXYEGNVIN-OQFOIZHKSA-N -1 3 364.361 2.558 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1cc(C)cnc1=S ZINC000823914164 607970360 /nfs/dbraw/zinc/97/03/60/607970360.db2.gz BZMXSBLIQOBPLK-UHFFFAOYSA-N -1 3 353.455 2.747 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1cc(C)cnc1=S ZINC000823914164 607970361 /nfs/dbraw/zinc/97/03/61/607970361.db2.gz BZMXSBLIQOBPLK-UHFFFAOYSA-N -1 3 353.455 2.747 20 30 FFEDHM COc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1C#N ZINC000826208584 607973014 /nfs/dbraw/zinc/97/30/14/607973014.db2.gz QUSCUPXEQJCSSC-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM COc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1C#N ZINC000826208584 607973015 /nfs/dbraw/zinc/97/30/15/607973015.db2.gz QUSCUPXEQJCSSC-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc3ccc(F)cc3c2)ccc1-c1nnn[n-]1 ZINC000826383998 608005113 /nfs/dbraw/zinc/00/51/13/608005113.db2.gz BGHCXPLLJZINDE-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc3ccc(F)cc3c2)ccc1-c1nn[n-]n1 ZINC000826383998 608005114 /nfs/dbraw/zinc/00/51/14/608005114.db2.gz BGHCXPLLJZINDE-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CCO2)c1 ZINC000826386948 608052541 /nfs/dbraw/zinc/05/25/41/608052541.db2.gz ZGTRYKBCXFFRBY-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CCO2)c1 ZINC000826386948 608052542 /nfs/dbraw/zinc/05/25/42/608052542.db2.gz ZGTRYKBCXFFRBY-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM Fc1ccc2c(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c[nH]c2c1 ZINC000826375925 608538036 /nfs/dbraw/zinc/53/80/36/608538036.db2.gz HVIOQRDLKIXGFP-UHFFFAOYSA-N -1 3 356.752 2.982 20 30 FFEDHM Fc1ccc2c(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c[nH]c2c1 ZINC000826375925 608538037 /nfs/dbraw/zinc/53/80/37/608538037.db2.gz HVIOQRDLKIXGFP-UHFFFAOYSA-N -1 3 356.752 2.982 20 30 FFEDHM COc1cccc2c1CCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826217778 608539170 /nfs/dbraw/zinc/53/91/70/608539170.db2.gz BTSPDZWXYMYYNG-UHFFFAOYSA-N -1 3 355.789 2.686 20 30 FFEDHM COc1cccc2c1CCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826217778 608539172 /nfs/dbraw/zinc/53/91/72/608539172.db2.gz BTSPDZWXYMYYNG-UHFFFAOYSA-N -1 3 355.789 2.686 20 30 FFEDHM Cc1csc2nc(C)c(C=NNc3cc(-c4nn[n-]n4)cc(Cl)n3)n12 ZINC000826329570 608539247 /nfs/dbraw/zinc/53/92/47/608539247.db2.gz IYSMELIKHMALEB-UHFFFAOYSA-N -1 3 373.833 2.687 20 30 FFEDHM CC1(C#N)CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824779447 609173731 /nfs/dbraw/zinc/17/37/31/609173731.db2.gz VJXKBBPTIMCALO-UHFFFAOYSA-N -1 3 368.441 2.568 20 30 FFEDHM CC1(C#N)CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824779447 609173733 /nfs/dbraw/zinc/17/37/33/609173733.db2.gz VJXKBBPTIMCALO-UHFFFAOYSA-N -1 3 368.441 2.568 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000826190489 609269828 /nfs/dbraw/zinc/26/98/28/609269828.db2.gz CUJPAZXETHDGAN-QHHAFSJGSA-N -1 3 369.312 2.819 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826190489 609269829 /nfs/dbraw/zinc/26/98/29/609269829.db2.gz CUJPAZXETHDGAN-QHHAFSJGSA-N -1 3 369.312 2.819 20 30 FFEDHM CC(=NNCCCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953516 609276836 /nfs/dbraw/zinc/27/68/36/609276836.db2.gz DQXNKAWCJHTOKY-UHFFFAOYSA-N -1 3 354.389 2.789 20 30 FFEDHM CC(=NNCCCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953516 609276838 /nfs/dbraw/zinc/27/68/38/609276838.db2.gz DQXNKAWCJHTOKY-UHFFFAOYSA-N -1 3 354.389 2.789 20 30 FFEDHM N#CCC1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000826381081 609388775 /nfs/dbraw/zinc/38/87/75/609388775.db2.gz WVDYBNZDRBUPQI-UHFFFAOYSA-N -1 3 355.352 2.823 20 30 FFEDHM N#CCC1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000826381081 609388776 /nfs/dbraw/zinc/38/87/76/609388776.db2.gz WVDYBNZDRBUPQI-UHFFFAOYSA-N -1 3 355.352 2.823 20 30 FFEDHM COc1cc(C)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)n1 ZINC000826178024 609470799 /nfs/dbraw/zinc/47/07/99/609470799.db2.gz GSWZJHHRGIUWSU-UHFFFAOYSA-N -1 3 357.805 2.987 20 30 FFEDHM COc1cc(C)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)n1 ZINC000826178024 609470800 /nfs/dbraw/zinc/47/08/00/609470800.db2.gz GSWZJHHRGIUWSU-UHFFFAOYSA-N -1 3 357.805 2.987 20 30 FFEDHM Clc1cc(NN=Cc2cn(-c3ccccc3)nn2)ccc1-c1nnn[n-]1 ZINC000826351551 609471939 /nfs/dbraw/zinc/47/19/39/609471939.db2.gz QWERHTRLXVTWOB-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Clc1cc(NN=Cc2cn(-c3ccccc3)nn2)ccc1-c1nn[n-]n1 ZINC000826351551 609471942 /nfs/dbraw/zinc/47/19/42/609471942.db2.gz QWERHTRLXVTWOB-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Cc1cc2c(c(C)c1)NC(=O)C2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826263589 609474039 /nfs/dbraw/zinc/47/40/39/609474039.db2.gz IQGIHETWYWHADP-UHFFFAOYSA-N -1 3 367.800 2.905 20 30 FFEDHM Cc1cc2c(c(C)c1)NC(=O)C2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826263589 609474041 /nfs/dbraw/zinc/47/40/41/609474041.db2.gz IQGIHETWYWHADP-UHFFFAOYSA-N -1 3 367.800 2.905 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826162727 609485969 /nfs/dbraw/zinc/48/59/69/609485969.db2.gz PNSCABPKVRFFIO-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826162727 609485971 /nfs/dbraw/zinc/48/59/71/609485971.db2.gz PNSCABPKVRFFIO-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)OCC ZINC000823873573 609612499 /nfs/dbraw/zinc/61/24/99/609612499.db2.gz NMQLUWWVCSIZCR-CQSZACIVSA-N -1 3 350.806 2.935 20 30 FFEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1)OCC ZINC000823873573 609612500 /nfs/dbraw/zinc/61/25/00/609612500.db2.gz NMQLUWWVCSIZCR-CQSZACIVSA-N -1 3 350.806 2.935 20 30 FFEDHM N#Cc1ccc(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826384922 609617665 /nfs/dbraw/zinc/61/76/65/609617665.db2.gz PCWVTQSHQVAPID-UHFFFAOYSA-N -1 3 353.769 2.678 20 30 FFEDHM N#Cc1ccc(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826384922 609617666 /nfs/dbraw/zinc/61/76/66/609617666.db2.gz PCWVTQSHQVAPID-UHFFFAOYSA-N -1 3 353.769 2.678 20 30 FFEDHM CCC(C)(C)CCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744342151 735350500 /nfs/dbraw/zinc/35/05/00/735350500.db2.gz LNTBPALQFPCQQU-CYBMUJFWSA-N -1 3 366.483 2.873 20 30 FFEDHM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1nnc2ccccc2c1[O-] ZINC000899095463 735446024 /nfs/dbraw/zinc/44/60/24/735446024.db2.gz GCEOQXNXSKQWSD-UHFFFAOYSA-N -1 3 371.212 2.898 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)ccc1F ZINC000074516217 728237123 /nfs/dbraw/zinc/23/71/23/728237123.db2.gz UBGNBMBQMCIWCD-UKRRQHHQSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)C[C@H]2C)ccc1F ZINC000078008763 728290847 /nfs/dbraw/zinc/29/08/47/728290847.db2.gz PUIJSRCGLXOVPA-CHWSQXEVSA-N -1 3 354.447 2.551 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2O)ccc1F ZINC000183019720 729293632 /nfs/dbraw/zinc/29/36/32/729293632.db2.gz HOFSOGZBMHTNIH-UHFFFAOYSA-N -1 3 364.398 2.556 20 30 FFEDHM O=C1NC2(CCCCC2)C(=O)N1N=Cc1c([O-])cccc1Br ZINC000863069810 730749119 /nfs/dbraw/zinc/74/91/19/730749119.db2.gz MJIGHBQGOBBTLN-UHFFFAOYSA-N -1 3 366.215 2.743 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1sc2nccn2c1C ZINC000780306777 738532182 /nfs/dbraw/zinc/53/21/82/738532182.db2.gz ZYUCFTHUPGTLHR-NSHDSACASA-N -1 3 354.391 2.674 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cn2)sc1Br ZINC000780885874 738585627 /nfs/dbraw/zinc/58/56/27/738585627.db2.gz CHRBSQWDYSSEMM-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM O=C(Nc1ccc(Cl)c(Br)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878907158 732613442 /nfs/dbraw/zinc/61/34/42/732613442.db2.gz ZADFUFJZXLEXHY-SNVBAGLBSA-N -1 3 362.611 2.604 20 30 FFEDHM N#CCn1cc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)cn1 ZINC000727360139 734479774 /nfs/dbraw/zinc/47/97/74/734479774.db2.gz YVNCPVDHKWDTLQ-DAXSKMNVSA-N -1 3 367.228 2.582 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)ccc1F ZINC000733116146 734791000 /nfs/dbraw/zinc/79/10/00/734791000.db2.gz ZLMLVQHNXVHHHE-WOSRLPQWSA-N -1 3 368.474 2.845 20 30 FFEDHM C#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000733287345 734804402 /nfs/dbraw/zinc/80/44/02/734804402.db2.gz CXHPELIMTPGWQL-UHFFFAOYSA-N -1 3 356.447 2.857 20 30 FFEDHM C=CCCCOC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000735526131 734949761 /nfs/dbraw/zinc/94/97/61/734949761.db2.gz VOZXDBBMZIGDTF-OAHLLOKOSA-N -1 3 364.467 2.793 20 30 FFEDHM C#CCOc1cccc([N-]S(=O)(=O)CCOc2ccc(OC)cc2)c1 ZINC000742029316 735198461 /nfs/dbraw/zinc/19/84/61/735198461.db2.gz GQTOXLIYPAJZIU-UHFFFAOYSA-N -1 3 361.419 2.528 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnc(-c2ccccn2)s1 ZINC000753165612 736042643 /nfs/dbraw/zinc/04/26/43/736042643.db2.gz ITVKYJHELCCUFV-UHFFFAOYSA-N -1 3 358.448 2.659 20 30 FFEDHM CC[C@H](CC(F)F)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904185715 736231533 /nfs/dbraw/zinc/23/15/33/736231533.db2.gz HEFAQODNRONBQY-LLVKDONJSA-N -1 3 354.353 2.572 20 30 FFEDHM C#CCSCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000755113641 736233724 /nfs/dbraw/zinc/23/37/24/736233724.db2.gz MHPYIYUNGJIXBW-UHFFFAOYSA-N -1 3 368.705 2.747 20 30 FFEDHM Cn1c(C=N[N-]S(=O)(=O)Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000755660959 736269275 /nfs/dbraw/zinc/26/92/75/736269275.db2.gz AOFDFSVFWXIIEX-UHFFFAOYSA-N -1 3 362.842 2.680 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(C[N-]C(=O)C(F)(F)c3nccs3)n2)c1 ZINC000756859657 736367708 /nfs/dbraw/zinc/36/77/08/736367708.db2.gz CAFXAZSHOPKCBI-UHFFFAOYSA-N -1 3 359.361 2.813 20 30 FFEDHM Cc1nc(-c2ccc(C)cc2F)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000908402897 736771016 /nfs/dbraw/zinc/77/10/16/736771016.db2.gz KKNHRKDVZZEGNQ-CYBMUJFWSA-N -1 3 363.414 2.676 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOC1CCSCC1 ZINC000908817773 736838475 /nfs/dbraw/zinc/83/84/75/736838475.db2.gz TUZIOMDFBSTHEE-UHFFFAOYSA-N -1 3 364.467 2.664 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C#N)C(C)C)c(Cl)cc1Cl ZINC000768883201 737471982 /nfs/dbraw/zinc/47/19/82/737471982.db2.gz XARAPXGRULWASW-LLVKDONJSA-N -1 3 365.238 2.606 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)c1ccc(C)o1 ZINC000914214608 737530713 /nfs/dbraw/zinc/53/07/13/737530713.db2.gz NCXAHYDSQIFUGC-QGZVFWFLSA-N -1 3 362.451 2.884 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(N3CCSCC3)cc2)c1[O-] ZINC000915981024 737669041 /nfs/dbraw/zinc/66/90/41/737669041.db2.gz JMDHBUSMYQLLQJ-UDWIEESQSA-N -1 3 357.479 2.760 20 30 FFEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn2cccnc12 ZINC000916944995 737733633 /nfs/dbraw/zinc/73/36/33/737733633.db2.gz PPPBRNUTJDHPFF-LBPRGKRZSA-N -1 3 374.187 2.997 20 30 FFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)nc1 ZINC000917879461 737781825 /nfs/dbraw/zinc/78/18/25/737781825.db2.gz ASVJHAPIKQDSQJ-UHFFFAOYSA-N -1 3 371.249 2.650 20 30 FFEDHM CCCCCCCOC(=O)[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000918492899 737806643 /nfs/dbraw/zinc/80/66/43/737806643.db2.gz CWGWIECMWUIRDX-ZDUSSCGKSA-N -1 3 352.456 2.627 20 30 FFEDHM O=[N+]([O-])c1cc(C=N[N-]S(=O)(=O)Cc2ccccc2)ccc1Cl ZINC000920386523 737904317 /nfs/dbraw/zinc/90/43/17/737904317.db2.gz BKWDFPXYUFHTOP-UHFFFAOYSA-N -1 3 353.787 2.702 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](OC(=O)c3cccc(Cl)c3[O-])C2=O)cc1 ZINC000775935090 738144540 /nfs/dbraw/zinc/14/45/40/738144540.db2.gz UHVYWHNQCZNLOZ-OAHLLOKOSA-N -1 3 356.765 2.880 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cscc2C)ccc1F ZINC000785366947 738957603 /nfs/dbraw/zinc/95/76/03/738957603.db2.gz QZPYOPXVJRUPOC-UHFFFAOYSA-N -1 3 368.455 2.590 20 30 FFEDHM C=CC[C@@H]1CCN1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000929911715 739036259 /nfs/dbraw/zinc/03/62/59/739036259.db2.gz XPUFFAUBOXWGOA-CYBMUJFWSA-N -1 3 353.444 2.639 20 30 FFEDHM C=C[C@](C)(CC)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000786526882 739058114 /nfs/dbraw/zinc/05/81/14/739058114.db2.gz HBSWLWJAAVTSSQ-SCLBCKFNSA-N -1 3 364.467 2.649 20 30 FFEDHM CCN(C(=O)OC(C)(C)C)[C@H](C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000794835565 739934402 /nfs/dbraw/zinc/93/44/02/739934402.db2.gz XUSWHPFNXNDWIL-AINDZBIGSA-N -1 3 351.447 2.652 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(C#N)n2)cc1Cl ZINC000810533682 741425396 /nfs/dbraw/zinc/42/53/96/741425396.db2.gz SOVVXQFOTCUFRU-GFCCVEGCSA-N -1 3 354.753 2.576 20 30 FFEDHM N#CCCOCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000815219729 741913952 /nfs/dbraw/zinc/91/39/52/741913952.db2.gz LMNJYFBBJGCDBI-UHFFFAOYSA-N -1 3 364.199 2.926 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000816692969 742053388 /nfs/dbraw/zinc/05/33/88/742053388.db2.gz ZIIITHPLFGBAFW-SNVBAGLBSA-N -1 3 371.340 2.549 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000816696588 742053875 /nfs/dbraw/zinc/05/38/75/742053875.db2.gz BPVRRMZYQUKEMF-OAHLLOKOSA-N -1 3 360.797 2.639 20 30 FFEDHM O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000816754482 742059067 /nfs/dbraw/zinc/05/90/67/742059067.db2.gz FZJGSDHVOSMQMU-GFCCVEGCSA-N -1 3 361.225 2.649 20 30 FFEDHM CCc1cnc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)s1 ZINC000825733300 743321258 /nfs/dbraw/zinc/32/12/58/743321258.db2.gz BAJNZNZGFIUZNV-VOTSOKGWSA-N -1 3 354.439 2.838 20 30 FFEDHM CCc1cnc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000825733300 743321264 /nfs/dbraw/zinc/32/12/64/743321264.db2.gz BAJNZNZGFIUZNV-VOTSOKGWSA-N -1 3 354.439 2.838 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C2CCC2)ccc1F ZINC000836847380 746318025 /nfs/dbraw/zinc/31/80/25/746318025.db2.gz JBZMZTREYVHRMX-UHFFFAOYSA-N -1 3 354.447 2.599 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)OCCC2(C#N)CCCCC2)c(C)o1 ZINC000840267605 747052183 /nfs/dbraw/zinc/05/21/83/747052183.db2.gz MPGZANXGMKEZOX-UHFFFAOYSA-N -1 3 354.428 2.517 20 30 FFEDHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000848134605 748851070 /nfs/dbraw/zinc/85/10/70/748851070.db2.gz CDBMNKNUEWOWNV-CYBMUJFWSA-N -1 3 373.236 2.843 20 30 FFEDHM CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135656 748851103 /nfs/dbraw/zinc/85/11/03/748851103.db2.gz GWLOFCUTXRYENJ-TZMCWYRMSA-N -1 3 369.259 2.514 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccccc2F)ccc1F ZINC000105867251 845622264 /nfs/dbraw/zinc/62/22/64/845622264.db2.gz GUTIRAUZUGWYOT-UHFFFAOYSA-N -1 3 367.373 2.786 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1-c1nnn[n-]1 ZINC000737709871 945114278 /nfs/dbraw/zinc/11/42/78/945114278.db2.gz RPRXNDBFGUCKOP-UHFFFAOYSA-N -1 3 361.340 2.540 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1-c1nn[n-]n1 ZINC000737709871 945114282 /nfs/dbraw/zinc/11/42/82/945114282.db2.gz RPRXNDBFGUCKOP-UHFFFAOYSA-N -1 3 361.340 2.540 20 30 FFEDHM C#Cc1cccc(N(C)CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000735391716 944644683 /nfs/dbraw/zinc/64/46/83/944644683.db2.gz WRZSFTWJRUGGQG-UHFFFAOYSA-N -1 3 366.812 2.576 20 30 FFEDHM C#Cc1cccc(N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000735391716 944644689 /nfs/dbraw/zinc/64/46/89/944644689.db2.gz WRZSFTWJRUGGQG-UHFFFAOYSA-N -1 3 366.812 2.576 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820525541 945474348 /nfs/dbraw/zinc/47/43/48/945474348.db2.gz FQSDKXYMOHMDFW-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001573279614 946645850 /nfs/dbraw/zinc/64/58/50/946645850.db2.gz JSWDCXNEBBSDOV-CQSZACIVSA-N -1 3 367.800 2.720 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001573279614 946645858 /nfs/dbraw/zinc/64/58/58/946645858.db2.gz JSWDCXNEBBSDOV-CQSZACIVSA-N -1 3 367.800 2.720 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573292835 946940585 /nfs/dbraw/zinc/94/05/85/946940585.db2.gz DOSSOXFPTQINIR-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573292835 946940589 /nfs/dbraw/zinc/94/05/89/946940589.db2.gz DOSSOXFPTQINIR-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573306430 947172328 /nfs/dbraw/zinc/17/23/28/947172328.db2.gz KMYRNJPTNNADQB-IFXJQAMLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573306430 947172333 /nfs/dbraw/zinc/17/23/33/947172333.db2.gz KMYRNJPTNNADQB-IFXJQAMLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573314778 947238309 /nfs/dbraw/zinc/23/83/09/947238309.db2.gz HADTWGSWIVOMCF-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573314778 947238315 /nfs/dbraw/zinc/23/83/15/947238315.db2.gz HADTWGSWIVOMCF-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CCC1 ZINC001573325437 947357241 /nfs/dbraw/zinc/35/72/41/947357241.db2.gz BSWGHHSMFJWXOJ-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CCC1 ZINC001573325437 947357257 /nfs/dbraw/zinc/35/72/57/947357257.db2.gz BSWGHHSMFJWXOJ-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N(C)CCN(C)c2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001573326869 947379201 /nfs/dbraw/zinc/37/92/01/947379201.db2.gz XWTHLBPGEJIHLV-UHFFFAOYSA-N -1 3 372.448 2.647 20 30 FFEDHM C=CCC1(C(=O)N(C)CCN(C)c2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001573326869 947379213 /nfs/dbraw/zinc/37/92/13/947379213.db2.gz XWTHLBPGEJIHLV-UHFFFAOYSA-N -1 3 372.448 2.647 20 30 FFEDHM COCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826163113 947512573 /nfs/dbraw/zinc/51/25/73/947512573.db2.gz HDCVDNNNXHJMTO-VMPITWQZSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826163113 947512580 /nfs/dbraw/zinc/51/25/80/947512580.db2.gz HDCVDNNNXHJMTO-VMPITWQZSA-N -1 3 368.368 2.927 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001573350241 947590819 /nfs/dbraw/zinc/59/08/19/947590819.db2.gz AISRAPWRYIOXFB-UHFFFAOYSA-N -1 3 373.420 2.974 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001573350241 947590826 /nfs/dbraw/zinc/59/08/26/947590826.db2.gz AISRAPWRYIOXFB-UHFFFAOYSA-N -1 3 373.420 2.974 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(C(C)(C)C)n1 ZINC000826360101 948117936 /nfs/dbraw/zinc/11/79/36/948117936.db2.gz XNSVYTINFRLYCL-VURMDHGXSA-N -1 3 354.389 2.933 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(C(C)(C)C)n1 ZINC000826360101 948117944 /nfs/dbraw/zinc/11/79/44/948117944.db2.gz XNSVYTINFRLYCL-VURMDHGXSA-N -1 3 354.389 2.933 20 30 FFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400679 948219734 /nfs/dbraw/zinc/21/97/34/948219734.db2.gz FAYDYSPMUXUVJT-ORCRQEGFSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400679 948219744 /nfs/dbraw/zinc/21/97/44/948219744.db2.gz FAYDYSPMUXUVJT-ORCRQEGFSA-N -1 3 352.325 2.673 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)CC2 ZINC001275902763 1013167523 /nfs/dbraw/zinc/16/75/23/1013167523.db2.gz KOOGBIVLFCSSJO-HNNXBMFYSA-N -1 3 359.470 2.624 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000253544349 1013318932 /nfs/dbraw/zinc/31/89/32/1013318932.db2.gz VDJYJHRTHLGGRS-BMGDILEWSA-N -1 3 358.438 2.955 20 30 FFEDHM C=C1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4ccccc4[O-])C[C@H]32)CC1 ZINC001022604164 965968981 /nfs/dbraw/zinc/96/89/81/965968981.db2.gz ORKUHSRJSYMYLH-FUHWJXTLSA-N -1 3 354.450 2.812 20 30 FFEDHM N#Cc1c(N)sc2c1CCN(Cc1nnc(-c3ccccc3[O-])o1)C2 ZINC001176771353 1013777704 /nfs/dbraw/zinc/77/77/04/1013777704.db2.gz KGQUYRGDWOEUNY-UHFFFAOYSA-N -1 3 353.407 2.516 20 30 FFEDHM CCn1c2ccc(C#N)cc2[nH]c1=NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000255720445 968708359 /nfs/dbraw/zinc/70/83/59/968708359.db2.gz ZBGVMXLUAHCGHW-PTNGSMBKSA-N -1 3 357.373 2.651 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)c2)c1 ZINC000127084393 972812466 /nfs/dbraw/zinc/81/24/66/972812466.db2.gz JECORFVJAUNWSC-GOSISDBHSA-N -1 3 360.373 2.842 20 30 FFEDHM N#CCCCN1CC2(CCC1=O)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001271427290 972921695 /nfs/dbraw/zinc/92/16/95/972921695.db2.gz KSZBUNDZKOGSJT-UHFFFAOYSA-N -1 3 355.438 2.541 20 30 FFEDHM Cc1cc(C#N)cc(C)c1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000898890772 976750146 /nfs/dbraw/zinc/75/01/46/976750146.db2.gz HPZSZTYIEVXEHD-UHFFFAOYSA-N -1 3 367.371 2.706 20 30 FFEDHM N#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001087452305 977707018 /nfs/dbraw/zinc/70/70/18/977707018.db2.gz MBLJCOOHIGIMTQ-SJLPKXTDSA-N -1 3 353.397 2.643 20 30 FFEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1 ZINC000128787864 979917384 /nfs/dbraw/zinc/91/73/84/979917384.db2.gz MQPYNKHFARPQDH-AWEZNQCLSA-N -1 3 354.362 2.883 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436538546 980160074 /nfs/dbraw/zinc/16/00/74/980160074.db2.gz KBCKMQRFIVKSIK-UHFFFAOYSA-N -1 3 356.334 2.858 20 30 FFEDHM Cc1nc2ncnn2c(C)c1CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904202123 980214349 /nfs/dbraw/zinc/21/43/49/980214349.db2.gz UMOYATWNMJKCSU-UHFFFAOYSA-N -1 3 367.453 2.914 20 30 FFEDHM C=CCC[C@@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC000908899872 981569317 /nfs/dbraw/zinc/56/93/17/981569317.db2.gz DKUPWIUSNQYJSA-MSOLQXFVSA-N -1 3 359.470 2.851 20 30 FFEDHM C=CCC[C@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC000908899874 981569335 /nfs/dbraw/zinc/56/93/35/981569335.db2.gz DKUPWIUSNQYJSA-ROUUACIJSA-N -1 3 359.470 2.851 20 30 FFEDHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000765591899 985215037 /nfs/dbraw/zinc/21/50/37/985215037.db2.gz VFEJMUWULOEBHZ-CQSZACIVSA-N -1 3 373.796 2.851 20 30 FFEDHM CCCCn1ccnc1-c1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000878951303 1015300804 /nfs/dbraw/zinc/30/08/04/1015300804.db2.gz JMAHJPPKUSHBJV-MRXNPFEDSA-N -1 3 371.441 2.852 20 30 FFEDHM C=CCOc1ccccc1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503122 988420420 /nfs/dbraw/zinc/42/04/20/988420420.db2.gz GLOKHIFIZBAICX-UONOGXRCSA-N -1 3 369.421 2.745 20 30 FFEDHM C=CCOc1ccccc1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503123 988420705 /nfs/dbraw/zinc/42/07/05/988420705.db2.gz GLOKHIFIZBAICX-ZIAGYGMSSA-N -1 3 369.421 2.745 20 30 FFEDHM CCc1csc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)cn2)n1 ZINC000762636237 988542592 /nfs/dbraw/zinc/54/25/92/988542592.db2.gz NYKOXQCSYUALMU-OAHLLOKOSA-N -1 3 365.418 2.852 20 30 FFEDHM CC(=O)Oc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000762841499 988645406 /nfs/dbraw/zinc/64/54/06/988645406.db2.gz JMUGCQWHKAHULV-UHFFFAOYSA-N -1 3 368.389 2.877 20 30 FFEDHM COc1ccc([C@@]2(C)NC(=O)N(N=Cc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000916330656 989778248 /nfs/dbraw/zinc/77/82/48/989778248.db2.gz MCZJPJAPDHOJIP-GOSISDBHSA-N -1 3 373.796 2.855 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)n[n-]2)o1 ZINC000919325672 990613809 /nfs/dbraw/zinc/61/38/09/990613809.db2.gz OVWLWGLVOFXEAH-UHFFFAOYSA-N -1 3 364.361 2.840 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)[n-]n2)o1 ZINC000919325672 990613812 /nfs/dbraw/zinc/61/38/12/990613812.db2.gz OVWLWGLVOFXEAH-UHFFFAOYSA-N -1 3 364.361 2.840 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(F)c(NC(C)=O)c1 ZINC000920110565 990795166 /nfs/dbraw/zinc/79/51/66/990795166.db2.gz SCUDJIQTEPHLLI-CYBMUJFWSA-N -1 3 369.352 2.754 20 30 FFEDHM CCc1ccc(CN(C)C(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811185610 995052434 /nfs/dbraw/zinc/05/24/34/995052434.db2.gz PMCLVIQASQRNMU-UHFFFAOYSA-N -1 3 352.390 2.642 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000811187689 995053304 /nfs/dbraw/zinc/05/33/04/995053304.db2.gz LFTUKROSVXOBNZ-SFHVURJKSA-N -1 3 350.374 2.614 20 30 FFEDHM CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1cncc([O-])c1 ZINC000731914749 998334688 /nfs/dbraw/zinc/33/46/88/998334688.db2.gz QRQXWOLGPISEBS-NVMNQCDNSA-N -1 3 352.390 2.825 20 30 FFEDHM CC[C@H](C)NC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccccc1 ZINC000732179174 998525932 /nfs/dbraw/zinc/52/59/32/998525932.db2.gz DMWVSMGBDASTPX-ZDUSSCGKSA-O -1 3 371.486 2.876 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(O)cc2[O-])ccc1OC ZINC000733229018 998924297 /nfs/dbraw/zinc/92/42/97/998924297.db2.gz ULJNPSDTZGHKGL-AWEZNQCLSA-N -1 3 356.378 2.717 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000733809670 999075080 /nfs/dbraw/zinc/07/50/80/999075080.db2.gz CJTNSODMTQHUIB-INIZCTEOSA-N -1 3 367.405 2.962 20 30 FFEDHM C#Cc1cccc(N(C)Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)c1 ZINC000103146828 1000034186 /nfs/dbraw/zinc/03/41/86/1000034186.db2.gz RJADRQRFTNOTBX-UHFFFAOYSA-N -1 3 367.430 2.697 20 30 FFEDHM COc1cc(C=NN2C(=S)N=NC2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000767102636 1000098975 /nfs/dbraw/zinc/09/89/75/1000098975.db2.gz KLLUDRMVFGWVSY-UHFFFAOYSA-N -1 3 371.378 2.738 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1Cc2ccccc2C1=O ZINC000769971485 1000638437 /nfs/dbraw/zinc/63/84/37/1000638437.db2.gz NONCCYPDEAEULM-KRWDZBQOSA-N -1 3 350.374 2.559 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109634112 1000734305 /nfs/dbraw/zinc/73/43/05/1000734305.db2.gz CWORKQDHAHUGER-NBMRYCAZSA-N -1 3 370.497 2.883 20 30 FFEDHM Cc1c(F)c(C)c(F)c(C(=O)[N-]c2c(C#N)cnc3c(C#N)cnn32)c1F ZINC001148752249 1001204849 /nfs/dbraw/zinc/20/48/49/1001204849.db2.gz HIZZYXSOPZWDRM-UHFFFAOYSA-N -1 3 370.294 2.759 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C(C)C)c2)cc1 ZINC000786929566 1001650332 /nfs/dbraw/zinc/65/03/32/1001650332.db2.gz LEIQPBHPGRKZOV-INIZCTEOSA-N -1 3 368.393 2.602 20 30 FFEDHM Cc1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)nc2ccc(Br)cc12 ZINC001171366007 1001777100 /nfs/dbraw/zinc/77/71/00/1001777100.db2.gz PZMNFXFVIKJWSO-XPTSAGLGSA-N -1 3 350.216 2.954 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC001171366073 1001777548 /nfs/dbraw/zinc/77/75/48/1001777548.db2.gz RTEJOVUJVWWKHP-ZANVPECISA-N -1 3 368.315 2.936 20 30 FFEDHM CCCCOc1ccc(C(=O)NCCNc2ccc(C#N)cn2)c([O-])c1 ZINC000789736830 1002184817 /nfs/dbraw/zinc/18/48/17/1002184817.db2.gz APIUOBNCDHCRHU-UHFFFAOYSA-N -1 3 354.410 2.680 20 30 FFEDHM N#Cc1cccc(N2C[C@@H](C(=O)Nc3cc([O-])cc(Cl)c3)OC2=O)c1 ZINC001184382263 1002582582 /nfs/dbraw/zinc/58/25/82/1002582582.db2.gz QSJSQQSVGYOMFK-HNNXBMFYSA-N -1 3 357.753 2.881 20 30 FFEDHM O=c1nc(C=N[O-])ccn1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000774821398 1002808688 /nfs/dbraw/zinc/80/86/88/1002808688.db2.gz PUYSAQCIOHQLCH-UHFFFAOYSA-N -1 3 353.353 2.818 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(-n2cccn2)cc1Cl ZINC001185961610 1003145489 /nfs/dbraw/zinc/14/54/89/1003145489.db2.gz GKYSGTMBMKOKOH-UHFFFAOYSA-N -1 3 355.785 2.965 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)[N-]OCc3ccc(F)cc3)C2)c(F)c1 ZINC000804557422 1003726003 /nfs/dbraw/zinc/72/60/03/1003726003.db2.gz FKSSZJCFBUUTOO-OAHLLOKOSA-N -1 3 357.360 2.911 20 30 FFEDHM CC(C)Cn1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196711409 1003922973 /nfs/dbraw/zinc/92/29/73/1003922973.db2.gz MDKYQGRDVHCROF-UHFFFAOYSA-N -1 3 352.847 2.543 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc2ccc(Cl)n2cn1 ZINC001152063969 1004295058 /nfs/dbraw/zinc/29/50/58/1004295058.db2.gz XUQORCWHADZTPS-UHFFFAOYSA-N -1 3 360.782 2.960 20 30 FFEDHM Cc1cc(Br)cc(Br)c1[N-]S(=O)(=O)CC#N ZINC001192972330 1004344815 /nfs/dbraw/zinc/34/48/15/1004344815.db2.gz STSQSYGIQUXWQQ-UHFFFAOYSA-N -1 3 368.050 2.785 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001193150455 1004390547 /nfs/dbraw/zinc/39/05/47/1004390547.db2.gz YAEIFPBYYUCPMN-WMLDXEAASA-N -1 3 355.463 2.918 20 30 FFEDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)c1 ZINC001193427246 1004484076 /nfs/dbraw/zinc/48/40/76/1004484076.db2.gz HNJHKGBUNJDTAG-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1c(C)cc(O)cc1[O-])CC2 ZINC001193920878 1004615500 /nfs/dbraw/zinc/61/55/00/1004615500.db2.gz KPQBAOVBZANUNC-HXUWFJFHSA-N -1 3 358.438 2.580 20 30 FFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(C)c1 ZINC001193980141 1004624373 /nfs/dbraw/zinc/62/43/73/1004624373.db2.gz SQAMHSQUZPHSDQ-CYBMUJFWSA-N -1 3 364.448 2.511 20 30 FFEDHM Cc1cccc(Oc2ncccc2NC(=O)N[C@@H]2CCCN([O-])C2=O)c1C ZINC001198675678 1004707111 /nfs/dbraw/zinc/70/71/11/1004707111.db2.gz SGIFVIONRGTNMZ-OAHLLOKOSA-N -1 3 370.409 2.992 20 30 FFEDHM N#Cc1ccc(O[C@H]2CCCN(C(=O)c3ccc(Cl)[n-]c3=O)C2)cc1 ZINC001195133645 1004900342 /nfs/dbraw/zinc/90/03/42/1004900342.db2.gz KFSXXKRVGRBXOQ-AWEZNQCLSA-N -1 3 357.797 2.996 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ncc(F)cc2Br)cc1C#N ZINC001201292063 1005189552 /nfs/dbraw/zinc/18/95/52/1005189552.db2.gz ALKSQQSRMDWSLB-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCCc2ccccc21 ZINC000776279390 1005345362 /nfs/dbraw/zinc/34/53/62/1005345362.db2.gz IRPSTVDJCQOQCJ-ZDUSSCGKSA-N -1 3 350.374 2.789 20 30 FFEDHM CC(=[NH+][N-]c1ccc(-n2cccn2)nn1)c1ccc(N2CCCC2)cc1[O-] ZINC000748249143 1016971007 /nfs/dbraw/zinc/97/10/07/1016971007.db2.gz TVBQJLCEDQPZFH-UHFFFAOYSA-N -1 3 363.425 2.804 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1C#N ZINC001203664336 1006150058 /nfs/dbraw/zinc/15/00/58/1006150058.db2.gz ZIXNWUJGNZKKCQ-CQSZACIVSA-N -1 3 351.834 2.990 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1noc(-c2ccccc2)n1 ZINC001188215131 1006471350 /nfs/dbraw/zinc/47/13/50/1006471350.db2.gz WAOCYFHNVOYLRA-CYBMUJFWSA-N -1 3 368.418 2.842 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC(=O)c2ccc(Cl)cc2)c1 ZINC001190663404 1007722416 /nfs/dbraw/zinc/72/24/16/1007722416.db2.gz UDJJZCSRTKYOAD-UHFFFAOYSA-N -1 3 352.774 2.512 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)[C@@H](O)c1ccc(Cl)cc1 ZINC001190670504 1007725263 /nfs/dbraw/zinc/72/52/63/1007725263.db2.gz LIKXGXCUMXNWKK-MGPLVRAMSA-N -1 3 368.817 2.751 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c1 ZINC001190676788 1007745215 /nfs/dbraw/zinc/74/52/15/1007745215.db2.gz DINCOZPGEHRGLY-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM CCOc1c(F)cc(C(=O)[N-]c2c(C#N)cnn2C(=O)OC)cc1Cl ZINC001190749636 1007768202 /nfs/dbraw/zinc/76/82/02/1007768202.db2.gz ULIGGFOXQQJVJX-UHFFFAOYSA-N -1 3 366.736 2.813 20 30 FFEDHM CC(F)(F)c1ncncc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001191005100 1007867348 /nfs/dbraw/zinc/86/73/48/1007867348.db2.gz IYNOJGQTYFKMBQ-UHFFFAOYSA-N -1 3 372.784 2.592 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000819234177 1008080274 /nfs/dbraw/zinc/08/02/74/1008080274.db2.gz CWXLTLPTORAVGU-LLVKDONJSA-N -1 3 374.401 2.590 20 30 FFEDHM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)N[C@@H]1CCN([O-])C1=O ZINC000820157475 1008295006 /nfs/dbraw/zinc/29/50/06/1008295006.db2.gz XZKBXORKUPTYJS-QGZVFWFLSA-N -1 3 374.824 2.568 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000820184739 1008301753 /nfs/dbraw/zinc/30/17/53/1008301753.db2.gz CXKDPOVLWXGRJR-MRXNPFEDSA-N -1 3 365.364 2.761 20 30 FFEDHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccnc(C#N)c2)c([O-])c1 ZINC001177673724 1008699847 /nfs/dbraw/zinc/69/98/47/1008699847.db2.gz ULSWQBJLYUNZPK-UHFFFAOYSA-N -1 3 353.378 2.795 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1nn(-c2ccccc2)c2c1CCC2 ZINC000138937077 1008876847 /nfs/dbraw/zinc/87/68/47/1008876847.db2.gz DJSDHHJEXAUWNO-INIZCTEOSA-N -1 3 371.400 2.717 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)nc(C)n1 ZINC000860465058 1009014578 /nfs/dbraw/zinc/01/45/78/1009014578.db2.gz FQKXKENGOQNSAO-CABCVRRESA-N -1 3 356.426 2.883 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001179276557 1009307533 /nfs/dbraw/zinc/30/75/33/1009307533.db2.gz BGIZDRNTNDDEGL-DJJJIMSYSA-N -1 3 357.410 2.849 20 30 FFEDHM C[C@@]1(C#N)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC000887681393 1009450532 /nfs/dbraw/zinc/45/05/32/1009450532.db2.gz ZJFRIRGXBYPZEA-OAQYLSRUSA-N -1 3 350.418 2.932 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CCCCN2CC)c(C)c1[O-] ZINC001181999486 1010337902 /nfs/dbraw/zinc/33/79/02/1010337902.db2.gz ZVBBTIDVQCFNJB-OAHLLOKOSA-N -1 3 359.426 2.562 20 30 FFEDHM COCCOc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)ccn1 ZINC000777300947 1010475837 /nfs/dbraw/zinc/47/58/37/1010475837.db2.gz BAIZKKXGJNYBDE-ZDUSSCGKSA-N -1 3 373.796 2.721 20 30 FFEDHM COc1ccccc1Nc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000868563973 1011366872 /nfs/dbraw/zinc/36/68/72/1011366872.db2.gz ZAMFNIFLTMJQRS-MRXNPFEDSA-N -1 3 355.394 2.549 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nnc(C(F)F)o1 ZINC000870455229 1012390437 /nfs/dbraw/zinc/39/04/37/1012390437.db2.gz WRXLOQQGDCSZHW-LBPRGKRZSA-N -1 3 359.332 2.950 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(NC(=O)C(F)(F)F)cc2)c1[O-] ZINC000748584791 1017399285 /nfs/dbraw/zinc/39/92/85/1017399285.db2.gz UAYKRSLIXSLPJB-ODCIPOBUSA-N -1 3 367.327 2.708 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(C)n3)no2)ccc1F ZINC000680715784 1018141428 /nfs/dbraw/zinc/14/14/28/1018141428.db2.gz WBNLXQWTTSQVHQ-UHFFFAOYSA-N -1 3 374.397 2.710 20 30 FFEDHM Cc1cc(C(F)(F)F)nn1CC[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000927463706 1018539424 /nfs/dbraw/zinc/53/94/24/1018539424.db2.gz QFXNNQGFSRCVSN-UHFFFAOYSA-N -1 3 372.297 2.990 20 30 FFEDHM CN1C(=O)C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000901372502 1019012218 /nfs/dbraw/zinc/01/22/18/1019012218.db2.gz FICKCYIOFNQYJP-FUHWJXTLSA-N -1 3 360.360 2.902 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccn1)C1CC1 ZINC000928606101 1019038356 /nfs/dbraw/zinc/03/83/56/1019038356.db2.gz FLUSKHZZVDZXSL-LJQANCHMSA-N -1 3 350.422 2.871 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccccc3)CC2)ccc1F ZINC000726517208 1020476570 /nfs/dbraw/zinc/47/65/70/1020476570.db2.gz XJYQACYCWTYZMU-UHFFFAOYSA-N -1 3 374.437 2.709 20 30 FFEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000750884595 1022712137 /nfs/dbraw/zinc/71/21/37/1022712137.db2.gz DAAJLZDFNQAPSL-UHFFFAOYSA-N -1 3 373.286 2.798 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)CC(C)C)c1 ZINC000755188800 1023576544 /nfs/dbraw/zinc/57/65/44/1023576544.db2.gz MLQHMMDOTZHKPI-UHFFFAOYSA-N -1 3 370.409 2.953 20 30 FFEDHM COC(=O)c1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000757982199 1023895866 /nfs/dbraw/zinc/89/58/66/1023895866.db2.gz BSPLRDBFYTXBDX-UHFFFAOYSA-N -1 3 374.418 2.800 20 30 FFEDHM C=CC[C@@H](C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001124001817 1024215753 /nfs/dbraw/zinc/21/57/53/1024215753.db2.gz ZKALEWJARMQSFI-IAGOWNOFSA-N -1 3 352.438 2.545 20 30 FFEDHM COC(=O)c1c(C#C[Si](C)(C)C)ccnc1NCc1ncccc1[O-] ZINC001158774283 1027131126 /nfs/dbraw/zinc/13/11/26/1027131126.db2.gz KTHKXTBQJJGPNV-UHFFFAOYSA-N -1 3 355.470 2.810 20 30 FFEDHM COc1cc(OC)c(C[C@H](C)/N=C\c2c([O-])c(C)ncc2CO)c(OC)c1 ZINC000840706793 1027222146 /nfs/dbraw/zinc/22/21/46/1027222146.db2.gz KEQVUKBWBIZVBW-INEXWVMZSA-N -1 3 374.437 2.664 20 30 FFEDHM O=C([C@H]1CCCC2(CC2)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802437 1028320355 /nfs/dbraw/zinc/32/03/55/1028320355.db2.gz WLJZZJGZDRIABL-AWEZNQCLSA-N -1 3 356.422 2.861 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)N[C@@H](c3ccnc(F)c3)C3CC3)cc(=O)c2c1 ZINC001154561175 1028356950 /nfs/dbraw/zinc/35/69/50/1028356950.db2.gz WTJKSKKKCJUAKJ-LJQANCHMSA-N -1 3 362.364 2.815 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c[nH]nc1C(F)(F)F ZINC001155015346 1028547465 /nfs/dbraw/zinc/54/74/65/1028547465.db2.gz XHOABHZVZMGVMJ-UHFFFAOYSA-N -1 3 353.304 2.589 20 30 FFEDHM COC(=O)Cc1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ccn1 ZINC001163769321 1029054445 /nfs/dbraw/zinc/05/44/45/1029054445.db2.gz VIKPTBKCSBXJDU-UHFFFAOYSA-N -1 3 369.299 2.944 20 30 FFEDHM Cc1nc(C(N)=O)ccc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163768734 1029055693 /nfs/dbraw/zinc/05/56/93/1029055693.db2.gz BBINHTLKLZQWIE-UHFFFAOYSA-N -1 3 354.288 2.635 20 30 FFEDHM [O-]N=C(Nc1nc(Cl)nc2c1CNC2)c1ccc(OC(F)(F)F)cc1 ZINC001163765189 1029056345 /nfs/dbraw/zinc/05/63/45/1029056345.db2.gz NQBFBLDTNHYIBG-UHFFFAOYSA-N -1 3 373.722 2.880 20 30 FFEDHM CC1(C#N)CN(c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)C1 ZINC001163954596 1029125235 /nfs/dbraw/zinc/12/52/35/1029125235.db2.gz WRBFXFJDABTSEB-UHFFFAOYSA-N -1 3 364.377 2.510 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cn3ccnc3s2)c(C)c1[O-] ZINC001156811348 1029357270 /nfs/dbraw/zinc/35/72/70/1029357270.db2.gz DWUKUIJJXAKCND-UHFFFAOYSA-N -1 3 370.390 2.711 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001142076231 1029976539 /nfs/dbraw/zinc/97/65/39/1029976539.db2.gz YPKDEDOTEXZBHA-OAHLLOKOSA-N -1 3 374.462 2.681 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(C#N)c(C)c2)c([O-])c1 ZINC000783378551 1030065069 /nfs/dbraw/zinc/06/50/69/1030065069.db2.gz XLLWMVMYDPDADM-UHFFFAOYSA-N -1 3 352.390 2.744 20 30 FFEDHM C=CCS(=O)(=O)CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000783617017 1030189804 /nfs/dbraw/zinc/18/98/04/1030189804.db2.gz VHRLLSQQUNATAI-UHFFFAOYSA-N -1 3 373.474 2.508 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)n(Cc2nnc(-c3ccccc3[O-])o2)c1=O ZINC001166729844 1030499146 /nfs/dbraw/zinc/49/91/46/1030499146.db2.gz BXRZNXJAZBXKID-UHFFFAOYSA-N -1 3 362.267 2.543 20 30 FFEDHM CCOC(=O)C1(C#N)CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203649891 1030802923 /nfs/dbraw/zinc/80/29/23/1030802923.db2.gz IWACZJHAOFBHIS-UHFFFAOYSA-N -1 3 367.243 2.824 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H](N)Cc2ccc(C(F)(F)F)cc2)c([O-])cc1F ZINC001219068364 1033503275 /nfs/dbraw/zinc/50/32/75/1033503275.db2.gz RENXICPLXODRES-CYBMUJFWSA-N -1 3 367.302 2.930 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc21 ZINC001220204142 1034046223 /nfs/dbraw/zinc/04/62/23/1034046223.db2.gz CFOVJJHMXGGOIA-UHFFFAOYSA-N -1 3 365.319 2.681 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)[n-]1 ZINC001225466679 1034265412 /nfs/dbraw/zinc/26/54/12/1034265412.db2.gz FZQGCGHDNOMJRB-ZDUSSCGKSA-N -1 3 369.368 2.991 20 30 FFEDHM N#Cc1c(C(F)(F)F)cc(=O)[n-]c1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001226068339 1034514274 /nfs/dbraw/zinc/51/42/74/1034514274.db2.gz OIWRXNKZNKSSGQ-TXEJJXNPSA-N -1 3 371.359 2.700 20 30 FFEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001226260821 1034600111 /nfs/dbraw/zinc/60/01/11/1034600111.db2.gz FOIRMYKCUZWBGI-HNNXBMFYSA-N -1 3 374.469 2.541 20 30 FFEDHM N#Cc1cccnc1N1CCC(Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226599759 1034753231 /nfs/dbraw/zinc/75/32/31/1034753231.db2.gz NJGYNOAYHZMDIY-UHFFFAOYSA-N -1 3 363.373 2.813 20 30 FFEDHM CCOC(=O)[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1 ZINC000835807649 1036007117 /nfs/dbraw/zinc/00/71/17/1036007117.db2.gz MNRWOTYCNZWARI-GOSISDBHSA-N -1 3 374.437 2.873 20 30 FFEDHM CCOC(=O)C1(C#N)CCN(Cc2ccc(OC)c([O-])c2Cl)CC1 ZINC001233401304 1036601781 /nfs/dbraw/zinc/60/17/81/1036601781.db2.gz UQOQYCFKCRBPHU-UHFFFAOYSA-N -1 3 352.818 2.723 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([O-])cc(C#N)c2)[C@H]2OCC[C@@H]21 ZINC001234141661 1036938382 /nfs/dbraw/zinc/93/83/82/1036938382.db2.gz QHBHEOWBZQLKGR-BBWFWOEESA-N -1 3 360.410 2.810 20 30 FFEDHM C#C[C@@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1ccncc1 ZINC001230186128 1037134129 /nfs/dbraw/zinc/13/41/29/1037134129.db2.gz LFKVIKZHQCVZHX-HXUWFJFHSA-N -1 3 372.428 2.889 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2c(C)c([O-])cc(OC)c2C(C)=O)[C@H]2OC(C)(C)O[C@@H]12 ZINC001234793751 1037183220 /nfs/dbraw/zinc/18/32/20/1037183220.db2.gz VBOQPQASARCUFP-JUKXBJQTSA-N -1 3 364.394 2.722 20 30 FFEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Br)c([O-])c1 ZINC001277547901 1037785715 /nfs/dbraw/zinc/78/57/15/1037785715.db2.gz KFQGJPABIQVJBQ-HUUCEWRRSA-N -1 3 365.271 2.906 20 30 FFEDHM C=CCOC[C@H]1CN(Cc2ccc(F)c([O-])c2)Cc2nnn(CC3CC3)c21 ZINC001236703557 1038203841 /nfs/dbraw/zinc/20/38/41/1038203841.db2.gz XDFDMCWUDZIDGG-MRXNPFEDSA-N -1 3 372.444 2.835 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001278009235 1038263902 /nfs/dbraw/zinc/26/39/02/1038263902.db2.gz LSNDDIFVZDSDRQ-AWEZNQCLSA-N -1 3 350.409 2.965 20 30 FFEDHM N#CCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)cc1 ZINC001209143498 1038682688 /nfs/dbraw/zinc/68/26/88/1038682688.db2.gz FQVOYCARAXMDGL-UHFFFAOYSA-N -1 3 372.233 2.769 20 30 FFEDHM CSc1ncc(-c2cc(Cl)ccc2[O-])c(COS(C)(=O)=O)n1 ZINC001245050094 1038857450 /nfs/dbraw/zinc/85/74/50/1038857450.db2.gz AYPSMZKLRZDDFY-UHFFFAOYSA-N -1 3 360.844 2.701 20 30 FFEDHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=S)Nc1ccc(C#N)cc1 ZINC001245914386 1039146460 /nfs/dbraw/zinc/14/64/60/1039146460.db2.gz LDEGVFTWNPSMCJ-AWEZNQCLSA-N -1 3 374.466 2.771 20 30 FFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=S)Nc1ccc(C#N)cc1 ZINC001245914386 1039146468 /nfs/dbraw/zinc/14/64/68/1039146468.db2.gz LDEGVFTWNPSMCJ-AWEZNQCLSA-N -1 3 374.466 2.771 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccccc2C#N)c1Cl ZINC001258283240 1039295526 /nfs/dbraw/zinc/29/55/26/1039295526.db2.gz MJFLYAMSAVBGIL-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC001259322846 1039912962 /nfs/dbraw/zinc/91/29/62/1039912962.db2.gz BMNMEWPRTWFZHK-UHFFFAOYSA-N -1 3 362.382 2.604 20 30 FFEDHM CCN(CCC#N)Cc1cc(I)c(OC)cc1[O-] ZINC001248469724 1040291775 /nfs/dbraw/zinc/29/17/75/1040291775.db2.gz XHXCLOOVWSYHMH-UHFFFAOYSA-N -1 3 360.195 2.741 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2F)cc1 ZINC001260239936 1040483320 /nfs/dbraw/zinc/48/33/20/1040483320.db2.gz VXHBSEAPJDTIIF-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001216095180 1041950016 /nfs/dbraw/zinc/95/00/16/1041950016.db2.gz JUPPGGGROFEDPZ-LBPRGKRZSA-N -1 3 363.381 2.725 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001216095180 1041950022 /nfs/dbraw/zinc/95/00/22/1041950022.db2.gz JUPPGGGROFEDPZ-LBPRGKRZSA-N -1 3 363.381 2.725 20 30 FFEDHM C=CCN(c1nnc(-c2cnc[n-]c2=O)n1Cc1cccs1)C1CC1 ZINC001263494080 1042341962 /nfs/dbraw/zinc/34/19/62/1042341962.db2.gz WSKAMJASZOYZFA-UHFFFAOYSA-N -1 3 354.439 2.705 20 30 FFEDHM Cc1cnc2nc(C(=O)[N-]c3ccccc3SC[C@@H](C)C#N)nn2c1 ZINC001265069261 1042841320 /nfs/dbraw/zinc/84/13/20/1042841320.db2.gz NCKKKLXUVJDDGF-NSHDSACASA-N -1 3 352.423 2.937 20 30 FFEDHM N#Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3[O-])CC2=O)cc1 ZINC001318048344 1045201378 /nfs/dbraw/zinc/20/13/78/1045201378.db2.gz KAYOVLNEZXARLQ-GFCCVEGCSA-N -1 3 355.781 2.909 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(-c3cccc(C)n3)o2)ccc1F ZINC001322475328 1046098973 /nfs/dbraw/zinc/09/89/73/1046098973.db2.gz SQIZPUKNKKDZAX-UHFFFAOYSA-N -1 3 374.397 2.710 20 30 FFEDHM C=CCOC(=O)c1sc2[n-]c(Cc3cccc(F)n3)nc(=O)c2c1C ZINC001322605248 1046147396 /nfs/dbraw/zinc/14/73/96/1046147396.db2.gz XBPRTKMDDOHAMK-UHFFFAOYSA-N -1 3 359.382 2.761 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC001330732917 1049299803 /nfs/dbraw/zinc/29/98/03/1049299803.db2.gz YQBUSJOADVOLTI-UHFFFAOYSA-N -1 3 373.825 2.788 20 30 FFEDHM C#Cc1ccc(C(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)cc1 ZINC001297260216 1050136452 /nfs/dbraw/zinc/13/64/52/1050136452.db2.gz KOZPHYMQQDMEHG-UHFFFAOYSA-N -1 3 374.400 2.560 20 30 FFEDHM C#Cc1ccc(C(=O)NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)cc1 ZINC001297260216 1050136453 /nfs/dbraw/zinc/13/64/53/1050136453.db2.gz KOZPHYMQQDMEHG-UHFFFAOYSA-N -1 3 374.400 2.560 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC[C@@H](COC)C1 ZINC001341738797 1050356162 /nfs/dbraw/zinc/35/61/62/1050356162.db2.gz DRQGQYPSQDXILX-OAHLLOKOSA-N -1 3 372.473 2.578 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)c3nnc4ccccc4c3[O-])CCOCC2)c1 ZINC001300987839 1050786095 /nfs/dbraw/zinc/78/60/95/1050786095.db2.gz BOIHAVLPVOQMHA-UHFFFAOYSA-N -1 3 374.400 2.643 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CCc2ccccc2)C1 ZINC001340810915 1051154937 /nfs/dbraw/zinc/15/49/37/1051154937.db2.gz JBRLBMMIBSFXMV-INIZCTEOSA-N -1 3 374.448 2.533 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2nnc(Cl)[n-]2)n1C[C@@H]1CCCO1 ZINC001343138889 1051761529 /nfs/dbraw/zinc/76/15/29/1051761529.db2.gz SWAMSLZEVNBUCL-LBPRGKRZSA-N -1 3 365.869 2.688 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2n[n-]c(Cl)n2)n1C[C@@H]1CCCO1 ZINC001343138889 1051761545 /nfs/dbraw/zinc/76/15/45/1051761545.db2.gz SWAMSLZEVNBUCL-LBPRGKRZSA-N -1 3 365.869 2.688 20 30 FFEDHM O=C(c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)N([O-])Cc1ccccc1Cl ZINC001306893886 1052214282 /nfs/dbraw/zinc/21/42/82/1052214282.db2.gz BDIDEZUGURTESF-OAHLLOKOSA-N -1 3 372.808 2.577 20 30 FFEDHM CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306899019 1052215859 /nfs/dbraw/zinc/21/58/59/1052215859.db2.gz VVQCWCZVDQYPGW-HNNXBMFYSA-N -1 3 370.421 2.862 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)nc2OC)cc1 ZINC001346249266 1052803702 /nfs/dbraw/zinc/80/37/02/1052803702.db2.gz WAKUGWDKJANVOZ-SWLSCSKDSA-N -1 3 354.410 2.903 20 30 FFEDHM Cc1nc(SCC(=O)Nc2n[n-]c(-c3ccco3)n2)c(C#N)c(C)c1C ZINC001337528056 1054821353 /nfs/dbraw/zinc/82/13/53/1054821353.db2.gz JDRKIKMXCJBBCQ-UHFFFAOYSA-N -1 3 368.422 2.987 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)cc1C1CC1 ZINC001356253168 1055418165 /nfs/dbraw/zinc/41/81/65/1055418165.db2.gz LMNJPRWTKYFAPK-HNNXBMFYSA-N -1 3 352.394 2.750 20 30 FFEDHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N(C)C[C@@H](C)C#N ZINC001338791264 1055819029 /nfs/dbraw/zinc/81/90/29/1055819029.db2.gz FCVRBWYRESWOJS-AWEZNQCLSA-N -1 3 363.425 2.618 20 30 FFEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N(C)CCC(=O)NC ZINC001338829100 1055853454 /nfs/dbraw/zinc/85/34/54/1055853454.db2.gz BMXGBPJZWSTYIU-UHFFFAOYSA-N -1 3 369.469 2.528 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2cc(C)ccc2C1 ZINC001339068143 1056063652 /nfs/dbraw/zinc/06/36/52/1056063652.db2.gz HCVVHOTUJXFMMW-UHFFFAOYSA-N -1 3 362.437 2.806 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001339606897 1056630666 /nfs/dbraw/zinc/63/06/66/1056630666.db2.gz OLAILMFRAFBCLM-XYJFISCASA-N -1 3 374.448 2.867 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001339657771 1056683799 /nfs/dbraw/zinc/68/37/99/1056683799.db2.gz OVBVBXRZTSOISA-UHFFFAOYSA-N -1 3 372.454 2.974 20 30 FFEDHM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2ccccc2C#N)CC[C@@H](C)CC1 ZINC001300525505 1058640666 /nfs/dbraw/zinc/64/06/66/1058640666.db2.gz LYOGMCSJVBZCPR-QASKLWRZSA-N -1 3 350.365 2.888 20 30 FFEDHM C[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc(C(=O)c2ccccc2)c1 ZINC000848134587 1059104287 /nfs/dbraw/zinc/10/42/87/1059104287.db2.gz BWXIXSZSRLIYPT-KBXCAEBGSA-N -1 3 366.417 2.518 20 30 FFEDHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000848136030 1059107093 /nfs/dbraw/zinc/10/70/93/1059107093.db2.gz KSONNCABSPTDSW-RTBURBONSA-N -1 3 352.434 2.899 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)CCc1cccs1 ZINC001515549426 1059696598 /nfs/dbraw/zinc/69/65/98/1059696598.db2.gz DGWGTUIJAVDTEP-UHFFFAOYSA-N -1 3 356.455 2.757 20 30 FFEDHM C=CCCCCn1c(C)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001507926841 1059755968 /nfs/dbraw/zinc/75/59/68/1059755968.db2.gz VCZKHBNQLOEVEL-UHFFFAOYSA-N -1 3 369.469 2.611 20 30 FFEDHM C=C1CCC(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC001455546379 1059819174 /nfs/dbraw/zinc/81/91/74/1059819174.db2.gz KIKMQCLJEQAAPP-UHFFFAOYSA-N -1 3 366.458 2.743 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C[C@H](C)O)C1CC1 ZINC001355837016 1060634306 /nfs/dbraw/zinc/63/43/06/1060634306.db2.gz AAWAWPIIUCKNPI-NSHDSACASA-N -1 3 371.466 2.796 20 30 FFEDHM Cc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)o1 ZINC001475541321 1061132819 /nfs/dbraw/zinc/13/28/19/1061132819.db2.gz AZXYCTOHNWNONO-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC[C@@H]1CCCC1(F)F ZINC001475621862 1061169106 /nfs/dbraw/zinc/16/91/06/1061169106.db2.gz RFWOMUOBHOBKSS-JTQLQIEISA-N -1 3 359.354 2.570 20 30 FFEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(S(=O)(=O)CC)ccc1Cl ZINC001526593024 1061176652 /nfs/dbraw/zinc/17/66/52/1061176652.db2.gz BCPCSFPPRGNWOG-ZDUSSCGKSA-N -1 3 365.842 2.840 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC=C(Cl)Cl ZINC001475706236 1061221922 /nfs/dbraw/zinc/22/19/22/1061221922.db2.gz CPYOLSNUHCEWAB-UHFFFAOYSA-N -1 3 370.055 2.918 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2ccccc2)C1 ZINC001522115394 1061568584 /nfs/dbraw/zinc/56/85/84/1061568584.db2.gz XDRRVYHPXQPVAE-CYBMUJFWSA-N -1 3 367.844 2.615 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2ccccc2)C1 ZINC001522115394 1061568604 /nfs/dbraw/zinc/56/86/04/1061568604.db2.gz XDRRVYHPXQPVAE-CYBMUJFWSA-N -1 3 367.844 2.615 20 30 FFEDHM COc1ccc(/C=C(\C(=O)N[C@@H]2CCCN([O-])C2=O)c2cccs2)cc1 ZINC001468452965 1063988196 /nfs/dbraw/zinc/98/81/96/1063988196.db2.gz LUMDVZDCSVUTSY-RTYFKUQISA-N -1 3 372.446 2.794 20 30 FFEDHM C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575336873 1078130247 /nfs/dbraw/zinc/13/02/47/1078130247.db2.gz IJDMCNNMCWWUKC-LBPRGKRZSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575336873 1078130248 /nfs/dbraw/zinc/13/02/48/1078130248.db2.gz IJDMCNNMCWWUKC-LBPRGKRZSA-N -1 3 364.434 2.973 20 30 FFEDHM N#Cc1cccc(O[N-]C(=O)c2cccc([N+](=O)[O-])c2Br)c1 ZINC001472609126 1065109900 /nfs/dbraw/zinc/10/99/00/1065109900.db2.gz DZAKDSYIXLMTKZ-UHFFFAOYSA-N -1 3 362.139 2.953 20 30 FFEDHM CCCCCCN([O-])C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC001472621244 1065112740 /nfs/dbraw/zinc/11/27/40/1065112740.db2.gz MKJQYCAWSLIMQT-UHFFFAOYSA-N -1 3 358.460 2.784 20 30 FFEDHM O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N([O-])Cc1cccc2ccccc21 ZINC001472622754 1065113874 /nfs/dbraw/zinc/11/38/74/1065113874.db2.gz PMBATVCLRVPVAU-CQSZACIVSA-N -1 3 366.339 2.968 20 30 FFEDHM C#CCN(Cc1nc(CC)cc(=O)[n-]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473796883 1065365094 /nfs/dbraw/zinc/36/50/94/1065365094.db2.gz JSFCCXZMNQGTIS-UHFFFAOYSA-N -1 3 374.485 2.579 20 30 FFEDHM Cc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC001581197135 1078932914 /nfs/dbraw/zinc/93/29/14/1078932914.db2.gz OPCDCFFYUIUFTI-CYBMUJFWSA-N -1 3 361.409 2.607 20 30 FFEDHM Cc1ccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC001581197135 1078932919 /nfs/dbraw/zinc/93/29/19/1078932919.db2.gz OPCDCFFYUIUFTI-CYBMUJFWSA-N -1 3 361.409 2.607 20 30 FFEDHM Cc1ccc(SCC(=O)Nc2cccc(C#N)c2)c(-c2nnn[n-]2)c1 ZINC001581213960 1078940594 /nfs/dbraw/zinc/94/05/94/1078940594.db2.gz SZMWOWMLJGKBHF-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM Cc1ccc(SCC(=O)Nc2cccc(C#N)c2)c(-c2nn[n-]n2)c1 ZINC001581213960 1078940598 /nfs/dbraw/zinc/94/05/98/1078940598.db2.gz SZMWOWMLJGKBHF-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c3ccncc23)cc1-c1nnn[n-]1 ZINC001581872926 1079010372 /nfs/dbraw/zinc/01/03/72/1079010372.db2.gz MUSVNFIISJVTJF-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c3ccncc23)cc1-c1nn[n-]n1 ZINC001581872926 1079010376 /nfs/dbraw/zinc/01/03/76/1079010376.db2.gz MUSVNFIISJVTJF-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001584714504 1079381719 /nfs/dbraw/zinc/38/17/19/1079381719.db2.gz PQEMDGYHWCGGTR-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001584714504 1079381724 /nfs/dbraw/zinc/38/17/24/1079381724.db2.gz PQEMDGYHWCGGTR-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001556527663 1075750149 /nfs/dbraw/zinc/75/01/49/1075750149.db2.gz CWBMSOKATZPFSI-QWRGUYRKSA-N -1 3 372.812 2.705 20 30 FFEDHM C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001558573980 1076038025 /nfs/dbraw/zinc/03/80/25/1076038025.db2.gz SLCMQWNJCKHRJW-QMMMGPOBSA-N -1 3 355.345 2.665 20 30 FFEDHM C=CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001561520598 1076387758 /nfs/dbraw/zinc/38/77/58/1076387758.db2.gz VCQRQANXPRSVOP-SECBINFHSA-N -1 3 368.680 2.626 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C2 ZINC001561857554 1076434748 /nfs/dbraw/zinc/43/47/48/1076434748.db2.gz XTSHJDKXDWIZBO-CYBMUJFWSA-N -1 3 350.802 2.796 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588333831 1079987277 /nfs/dbraw/zinc/98/72/77/1079987277.db2.gz FYTZJROWQHRIDY-LJQANCHMSA-N -1 3 359.433 2.550 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588333831 1079987283 /nfs/dbraw/zinc/98/72/83/1079987283.db2.gz FYTZJROWQHRIDY-LJQANCHMSA-N -1 3 359.433 2.550 20 30 FFEDHM C#CC[C@H](NC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001588333782 1079987680 /nfs/dbraw/zinc/98/76/80/1079987680.db2.gz DPXQVVXBNFQDER-INIZCTEOSA-N -1 3 366.450 2.834 20 30 FFEDHM C#CC[C@H](NC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001588333782 1079987682 /nfs/dbraw/zinc/98/76/82/1079987682.db2.gz DPXQVVXBNFQDER-INIZCTEOSA-N -1 3 366.450 2.834 20 30 FFEDHM C#CC[C@@H](COC)Nc1c(-c2nnn[n-]2)cnc2c(Cl)cc(C)cc21 ZINC001588333775 1079987823 /nfs/dbraw/zinc/98/78/23/1079987823.db2.gz DLAYQOFNSDBXFE-NSHDSACASA-N -1 3 356.817 2.827 20 30 FFEDHM C#CC[C@@H](COC)Nc1c(-c2nn[n-]n2)cnc2c(Cl)cc(C)cc21 ZINC001588333775 1079987825 /nfs/dbraw/zinc/98/78/25/1079987825.db2.gz DLAYQOFNSDBXFE-NSHDSACASA-N -1 3 356.817 2.827 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC001588335551 1079989144 /nfs/dbraw/zinc/98/91/44/1079989144.db2.gz QSHVCEAJGLFAAB-NSHDSACASA-N -1 3 374.242 2.505 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC001588335551 1079989147 /nfs/dbraw/zinc/98/91/47/1079989147.db2.gz QSHVCEAJGLFAAB-NSHDSACASA-N -1 3 374.242 2.505 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001588359974 1079992611 /nfs/dbraw/zinc/99/26/11/1079992611.db2.gz DOCLZDMAIIQQEI-ZDUSSCGKSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001588359974 1079992616 /nfs/dbraw/zinc/99/26/16/1079992616.db2.gz DOCLZDMAIIQQEI-ZDUSSCGKSA-N -1 3 363.377 2.636 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588392500 1080005570 /nfs/dbraw/zinc/00/55/70/1080005570.db2.gz BNSLQXCKAIECAF-CYBMUJFWSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588392500 1080005580 /nfs/dbraw/zinc/00/55/80/1080005580.db2.gz BNSLQXCKAIECAF-CYBMUJFWSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588394847 1080007051 /nfs/dbraw/zinc/00/70/51/1080007051.db2.gz ZIFOMCSJEOVEEM-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588394847 1080007057 /nfs/dbraw/zinc/00/70/57/1080007057.db2.gz ZIFOMCSJEOVEEM-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588402693 1080010534 /nfs/dbraw/zinc/01/05/34/1080010534.db2.gz KCGSCLCTMSWEIZ-HDJSIYSDSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588402693 1080010547 /nfs/dbraw/zinc/01/05/47/1080010547.db2.gz KCGSCLCTMSWEIZ-HDJSIYSDSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H](CC)C1 ZINC001588411902 1080015927 /nfs/dbraw/zinc/01/59/27/1080015927.db2.gz MUWRALHYCHTDKY-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H](CC)C1 ZINC001588411902 1080015938 /nfs/dbraw/zinc/01/59/38/1080015938.db2.gz MUWRALHYCHTDKY-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588412589 1080016565 /nfs/dbraw/zinc/01/65/65/1080016565.db2.gz YETKTGQZUYNHDF-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588412589 1080016574 /nfs/dbraw/zinc/01/65/74/1080016574.db2.gz YETKTGQZUYNHDF-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588426105 1080024432 /nfs/dbraw/zinc/02/44/32/1080024432.db2.gz MCBKDBQJCWDALD-UHFFFAOYSA-N -1 3 357.389 2.982 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588426105 1080024443 /nfs/dbraw/zinc/02/44/43/1080024443.db2.gz MCBKDBQJCWDALD-UHFFFAOYSA-N -1 3 357.389 2.982 20 30 FFEDHM C=C(C)c1cccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588441797 1080028189 /nfs/dbraw/zinc/02/81/89/1080028189.db2.gz HEZDOKSHDHABLR-UHFFFAOYSA-N -1 3 364.413 2.528 20 30 FFEDHM C=C(C)c1cccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588441797 1080028198 /nfs/dbraw/zinc/02/81/98/1080028198.db2.gz HEZDOKSHDHABLR-UHFFFAOYSA-N -1 3 364.413 2.528 20 30 FFEDHM C=C1CCN(c2nnc(-c3ccc(C)c(-c4nnn[n-]4)c3)n2CC)CC1 ZINC001588462947 1080037517 /nfs/dbraw/zinc/03/75/17/1080037517.db2.gz UVYHLNIBENRRPR-UHFFFAOYSA-N -1 3 350.430 2.610 20 30 FFEDHM C=C1CCN(c2nnc(-c3ccc(C)c(-c4nn[n-]n4)c3)n2CC)CC1 ZINC001588462947 1080037530 /nfs/dbraw/zinc/03/75/30/1080037530.db2.gz UVYHLNIBENRRPR-UHFFFAOYSA-N -1 3 350.430 2.610 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1C ZINC001588480893 1080043789 /nfs/dbraw/zinc/04/37/89/1080043789.db2.gz FGXRTJBRYSAJPE-JSGCOSHPSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1C ZINC001588480893 1080043793 /nfs/dbraw/zinc/04/37/93/1080043793.db2.gz FGXRTJBRYSAJPE-JSGCOSHPSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001588483381 1080046496 /nfs/dbraw/zinc/04/64/96/1080046496.db2.gz ICZFULUYZUDQFX-OAHLLOKOSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001588483381 1080046501 /nfs/dbraw/zinc/04/65/01/1080046501.db2.gz ICZFULUYZUDQFX-OAHLLOKOSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588491917 1080054580 /nfs/dbraw/zinc/05/45/80/1080054580.db2.gz LWJAYSYUZHDPNG-LJQANCHMSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588491917 1080054585 /nfs/dbraw/zinc/05/45/85/1080054585.db2.gz LWJAYSYUZHDPNG-LJQANCHMSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCCN(CC)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588493923 1080056403 /nfs/dbraw/zinc/05/64/03/1080056403.db2.gz MMBDDWJGYRQAHN-IBGZPJMESA-N -1 3 374.464 2.546 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCCN(CC)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588493923 1080056412 /nfs/dbraw/zinc/05/64/12/1080056412.db2.gz MMBDDWJGYRQAHN-IBGZPJMESA-N -1 3 374.464 2.546 20 30 FFEDHM C=C[C@](C)(CC)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588496823 1080060148 /nfs/dbraw/zinc/06/01/48/1080060148.db2.gz UXFNHALMSMNKEH-MRXNPFEDSA-N -1 3 363.805 2.604 20 30 FFEDHM C=C[C@](C)(CC)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588496823 1080060156 /nfs/dbraw/zinc/06/01/56/1080060156.db2.gz UXFNHALMSMNKEH-MRXNPFEDSA-N -1 3 363.805 2.604 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001588518569 1080069711 /nfs/dbraw/zinc/06/97/11/1080069711.db2.gz GMQNWWMRNGEULX-BBRMVZONSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001588518569 1080069721 /nfs/dbraw/zinc/06/97/21/1080069721.db2.gz GMQNWWMRNGEULX-BBRMVZONSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588533412 1080083389 /nfs/dbraw/zinc/08/33/89/1080083389.db2.gz XKIHZDBLVFPXJY-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588533412 1080083396 /nfs/dbraw/zinc/08/33/96/1080083396.db2.gz XKIHZDBLVFPXJY-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=CCC(C)(C)C(=O)NCC[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588538215 1080086668 /nfs/dbraw/zinc/08/66/68/1080086668.db2.gz KWOKTXODADNJJK-JTQLQIEISA-N -1 3 363.491 2.541 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588544664 1080088510 /nfs/dbraw/zinc/08/85/10/1080088510.db2.gz OVTBTOSNZYOPCJ-KBPBESRZSA-N -1 3 369.473 2.644 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588544664 1080088518 /nfs/dbraw/zinc/08/85/18/1080088518.db2.gz OVTBTOSNZYOPCJ-KBPBESRZSA-N -1 3 369.473 2.644 20 30 FFEDHM C=CCC1(C(=O)N(C)CCCNc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588549737 1080089924 /nfs/dbraw/zinc/08/99/24/1080089924.db2.gz WKVJYJRXNYTZEP-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCC1(C(=O)N(C)CCCNc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588549737 1080089929 /nfs/dbraw/zinc/08/99/29/1080089929.db2.gz WKVJYJRXNYTZEP-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCOCC1 ZINC001588557675 1080094218 /nfs/dbraw/zinc/09/42/18/1080094218.db2.gz SKWZEJFJIJPNFS-UHFFFAOYSA-N -1 3 362.821 2.767 20 30 FFEDHM C=CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCOCC1 ZINC001588557675 1080094224 /nfs/dbraw/zinc/09/42/24/1080094224.db2.gz SKWZEJFJIJPNFS-UHFFFAOYSA-N -1 3 362.821 2.767 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588560223 1080096929 /nfs/dbraw/zinc/09/69/29/1080096929.db2.gz OPLDKIWQTVBWRA-XJKSGUPXSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588560223 1080096935 /nfs/dbraw/zinc/09/69/35/1080096935.db2.gz OPLDKIWQTVBWRA-XJKSGUPXSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588560649 1080098276 /nfs/dbraw/zinc/09/82/76/1080098276.db2.gz TYNLDQNRIRZYRZ-GDBMZVCRSA-N -1 3 370.457 2.809 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588560649 1080098283 /nfs/dbraw/zinc/09/82/83/1080098283.db2.gz TYNLDQNRIRZYRZ-GDBMZVCRSA-N -1 3 370.457 2.809 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001588582224 1080108888 /nfs/dbraw/zinc/10/88/88/1080108888.db2.gz HXBAVZIWXSTPQN-STQMWFEESA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001588582224 1080108897 /nfs/dbraw/zinc/10/88/97/1080108897.db2.gz HXBAVZIWXSTPQN-STQMWFEESA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588588318 1080111049 /nfs/dbraw/zinc/11/10/49/1080111049.db2.gz KOQXMQBRLUFXPS-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588588318 1080111051 /nfs/dbraw/zinc/11/10/51/1080111051.db2.gz KOQXMQBRLUFXPS-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588587547 1080111077 /nfs/dbraw/zinc/11/10/77/1080111077.db2.gz XQNBPBYUERJSAW-CABCVRRESA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588587547 1080111080 /nfs/dbraw/zinc/11/10/80/1080111080.db2.gz XQNBPBYUERJSAW-CABCVRRESA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCC[C@H](C)OC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC001588593366 1080115682 /nfs/dbraw/zinc/11/56/82/1080115682.db2.gz AWGXZVWUQXRBCV-LBPRGKRZSA-N -1 3 367.413 2.536 20 30 FFEDHM C=CCCC[C@H](C)OC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001588593366 1080115686 /nfs/dbraw/zinc/11/56/86/1080115686.db2.gz AWGXZVWUQXRBCV-LBPRGKRZSA-N -1 3 367.413 2.536 20 30 FFEDHM C=CCCCNC(=O)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001588600623 1080119326 /nfs/dbraw/zinc/11/93/26/1080119326.db2.gz IRISRCPJJFRGKL-UHFFFAOYSA-N -1 3 374.420 2.525 20 30 FFEDHM C=CCCCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588600623 1080119329 /nfs/dbraw/zinc/11/93/29/1080119329.db2.gz IRISRCPJJFRGKL-UHFFFAOYSA-N -1 3 374.420 2.525 20 30 FFEDHM C=CCCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)OCc1ccccc1 ZINC001588603782 1080120596 /nfs/dbraw/zinc/12/05/96/1080120596.db2.gz VVDYNWBAXWEWLD-IBGZPJMESA-N -1 3 365.437 2.910 20 30 FFEDHM C=CCCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)OCc1ccccc1 ZINC001588603782 1080120600 /nfs/dbraw/zinc/12/06/00/1080120600.db2.gz VVDYNWBAXWEWLD-IBGZPJMESA-N -1 3 365.437 2.910 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588631360 1080128668 /nfs/dbraw/zinc/12/86/68/1080128668.db2.gz BAKUPJSIAZGSEO-CYBMUJFWSA-N -1 3 358.471 2.560 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588631360 1080128671 /nfs/dbraw/zinc/12/86/71/1080128671.db2.gz BAKUPJSIAZGSEO-CYBMUJFWSA-N -1 3 358.471 2.560 20 30 FFEDHM C=CCN(CCC#N)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588632091 1080129453 /nfs/dbraw/zinc/12/94/53/1080129453.db2.gz SFLMPAWTCUCYMB-UHFFFAOYSA-N -1 3 350.426 2.607 20 30 FFEDHM C=CCN(CCC#N)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588632091 1080129459 /nfs/dbraw/zinc/12/94/59/1080129459.db2.gz SFLMPAWTCUCYMB-UHFFFAOYSA-N -1 3 350.426 2.607 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cccnc1C ZINC001588640484 1080133858 /nfs/dbraw/zinc/13/38/58/1080133858.db2.gz UAMOKOQDMFMFQP-KTKRTIGZSA-N -1 3 360.421 2.798 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cccnc1C ZINC001588640484 1080133860 /nfs/dbraw/zinc/13/38/60/1080133860.db2.gz UAMOKOQDMFMFQP-KTKRTIGZSA-N -1 3 360.421 2.798 20 30 FFEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588776549 1080190891 /nfs/dbraw/zinc/19/08/91/1080190891.db2.gz RWFCTPFZHQTBBH-MRVPVSSYSA-N -1 3 363.878 2.507 20 30 FFEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588776549 1080190894 /nfs/dbraw/zinc/19/08/94/1080190894.db2.gz RWFCTPFZHQTBBH-MRVPVSSYSA-N -1 3 363.878 2.507 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001588776627 1080190986 /nfs/dbraw/zinc/19/09/86/1080190986.db2.gz YODMKIKEZPBHGE-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001588776627 1080190989 /nfs/dbraw/zinc/19/09/89/1080190989.db2.gz YODMKIKEZPBHGE-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588780504 1080191695 /nfs/dbraw/zinc/19/16/95/1080191695.db2.gz CGSGOIDYIURUNL-UHFFFAOYSA-N -1 3 359.296 2.889 20 30 FFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588780504 1080191701 /nfs/dbraw/zinc/19/17/01/1080191701.db2.gz CGSGOIDYIURUNL-UHFFFAOYSA-N -1 3 359.296 2.889 20 30 FFEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC001588903046 1080252392 /nfs/dbraw/zinc/25/23/92/1080252392.db2.gz IRLAPFPIJVMWON-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC001588903046 1080252407 /nfs/dbraw/zinc/25/24/07/1080252407.db2.gz IRLAPFPIJVMWON-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1cccc(C#N)c1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001588920660 1080265712 /nfs/dbraw/zinc/26/57/12/1080265712.db2.gz ROYMLXLDIJZEBR-UHFFFAOYSA-N -1 3 358.361 2.773 20 30 FFEDHM CC(=O)c1cccc(C#N)c1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001588920660 1080265719 /nfs/dbraw/zinc/26/57/19/1080265719.db2.gz ROYMLXLDIJZEBR-UHFFFAOYSA-N -1 3 358.361 2.773 20 30 FFEDHM CC(C)(NC(=O)c1cc(F)c(C#N)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589318841 1080481259 /nfs/dbraw/zinc/48/12/59/1080481259.db2.gz BYEUEUGKYFDMLO-UHFFFAOYSA-N -1 3 368.347 2.682 20 30 FFEDHM CC(C)(NC(=O)c1cc(F)c(C#N)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589318841 1080481261 /nfs/dbraw/zinc/48/12/61/1080481261.db2.gz BYEUEUGKYFDMLO-UHFFFAOYSA-N -1 3 368.347 2.682 20 30 FFEDHM C[C@H](C(=O)[O-])N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC001589480168 1080555324 /nfs/dbraw/zinc/55/53/24/1080555324.db2.gz YODUACHJGSVOPL-YPMHNXCESA-N -1 3 357.435 2.800 20 30 FFEDHM CC(C)c1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@@](F)(C#N)C3)c2c1 ZINC001589770754 1080724388 /nfs/dbraw/zinc/72/43/88/1080724388.db2.gz KFBCXBLETQUUOD-GOSISDBHSA-N -1 3 351.389 2.980 20 30 FFEDHM CC(C)c1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@@](F)(C#N)C3)c2c1 ZINC001589770754 1080724391 /nfs/dbraw/zinc/72/43/91/1080724391.db2.gz KFBCXBLETQUUOD-GOSISDBHSA-N -1 3 351.389 2.980 20 30 FFEDHM C[C@@H](CN(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001589837068 1080789065 /nfs/dbraw/zinc/78/90/65/1080789065.db2.gz SWWCTUVZBGNOGC-XJKSGUPXSA-N -1 3 354.458 2.690 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](CC#N)c1ccco1 ZINC001589894885 1080840867 /nfs/dbraw/zinc/84/08/67/1080840867.db2.gz NLRCJWWMFFTLFV-MLGOLLRUSA-N -1 3 351.366 2.836 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](CC#N)c1ccco1 ZINC001589894885 1080840872 /nfs/dbraw/zinc/84/08/72/1080840872.db2.gz NLRCJWWMFFTLFV-MLGOLLRUSA-N -1 3 351.366 2.836 20 30 FFEDHM C[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589933525 1080876401 /nfs/dbraw/zinc/87/64/01/1080876401.db2.gz KNWGSKHPJMAGCA-IYXRBSQSSA-N -1 3 353.430 2.557 20 30 FFEDHM C[C@@H](NC(=O)NCC1CCC(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589933525 1080876406 /nfs/dbraw/zinc/87/64/06/1080876406.db2.gz KNWGSKHPJMAGCA-IYXRBSQSSA-N -1 3 353.430 2.557 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC001590003791 1080930368 /nfs/dbraw/zinc/93/03/68/1080930368.db2.gz QABHVBGSBGPQHE-ACJLOTCBSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC001590003791 1080930374 /nfs/dbraw/zinc/93/03/74/1080930374.db2.gz QABHVBGSBGPQHE-ACJLOTCBSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC001590032045 1080957274 /nfs/dbraw/zinc/95/72/74/1080957274.db2.gz UBPWBWMNKUAZGC-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC001590032045 1080957278 /nfs/dbraw/zinc/95/72/78/1080957278.db2.gz UBPWBWMNKUAZGC-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000274269710 255856863 /nfs/dbraw/zinc/85/68/63/255856863.db2.gz MIHLDVWFNGARGB-SJORKVTESA-N -1 3 359.470 2.917 20 30 FFEDHM N#Cc1cc2c(nc1N1CCN(C(=O)c3ccc([O-])cc3)CC1)CCCC2 ZINC000276057710 256069417 /nfs/dbraw/zinc/06/94/17/256069417.db2.gz KFECNPKPSSNDLQ-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000287894030 257126762 /nfs/dbraw/zinc/12/67/62/257126762.db2.gz RQZFRUKYYZCMHZ-SNVBAGLBSA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000290511214 257337346 /nfs/dbraw/zinc/33/73/46/257337346.db2.gz GRRXKGKQSHAXAV-AEFFLSMTSA-N -1 3 357.454 2.624 20 30 FFEDHM N#Cc1cccc(C#N)c1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000302881782 258113714 /nfs/dbraw/zinc/11/37/14/258113714.db2.gz JIFURIOAIKFQGB-UHFFFAOYSA-N -1 3 366.855 2.535 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Br)s1 ZINC000230336180 509436437 /nfs/dbraw/zinc/43/64/37/509436437.db2.gz LROYPWFSFZWGAY-UHFFFAOYSA-N -1 3 357.254 2.861 20 30 FFEDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000032592155 506268781 /nfs/dbraw/zinc/26/87/81/506268781.db2.gz AQZNHXABANRSAG-UHFFFAOYSA-N -1 3 363.826 2.714 20 30 FFEDHM Cc1cccc(OC[C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000054165766 506503750 /nfs/dbraw/zinc/50/37/50/506503750.db2.gz SUCLBCRCCBRFRM-AWEZNQCLSA-N -1 3 367.449 2.688 20 30 FFEDHM CCOc1ccccc1CN(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000054586216 506581481 /nfs/dbraw/zinc/58/14/81/506581481.db2.gz DJIHLQPCAKELIZ-UHFFFAOYSA-N -1 3 367.449 2.853 20 30 FFEDHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000055192961 506695214 /nfs/dbraw/zinc/69/52/14/506695214.db2.gz YOYAXHUVIIRSSM-UHFFFAOYSA-N -1 3 359.283 2.761 20 30 FFEDHM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000055192961 506695221 /nfs/dbraw/zinc/69/52/21/506695221.db2.gz YOYAXHUVIIRSSM-UHFFFAOYSA-N -1 3 359.283 2.761 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(C#N)ccc1F ZINC000011541072 506779726 /nfs/dbraw/zinc/77/97/26/506779726.db2.gz CEAYILZUXQYSCJ-UHFFFAOYSA-N -1 3 353.353 2.550 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cccn3)cc2)n1 ZINC000067896558 507045030 /nfs/dbraw/zinc/04/50/30/507045030.db2.gz CXKDKGMAAIVUJE-CQSZACIVSA-N -1 3 366.402 2.996 20 30 FFEDHM CCn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)ccc1=O ZINC000057118894 507176411 /nfs/dbraw/zinc/17/64/11/507176411.db2.gz DIMZIAJDOUIYSQ-UHFFFAOYSA-N -1 3 371.340 2.559 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(C#N)c3)CCCCCC2)no1 ZINC000024689023 507431148 /nfs/dbraw/zinc/43/11/48/507431148.db2.gz MONTVYSCDLPZRJ-UHFFFAOYSA-N -1 3 360.439 2.778 20 30 FFEDHM N#Cc1ccsc1NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976745 507673504 /nfs/dbraw/zinc/67/35/04/507673504.db2.gz WDUHSEHYUJZMAX-INIZCTEOSA-N -1 3 371.462 2.945 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000063819400 507772998 /nfs/dbraw/zinc/77/29/98/507772998.db2.gz PQYSWYFLLSPYRN-UHFFFAOYSA-N -1 3 353.426 2.522 20 30 FFEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(CN(C)C)c1 ZINC000072841068 507861239 /nfs/dbraw/zinc/86/12/39/507861239.db2.gz DULSSMSPDYUPPW-UHFFFAOYSA-N -1 3 366.465 2.805 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078658103 507893760 /nfs/dbraw/zinc/89/37/60/507893760.db2.gz GHJALJQVTTVSJO-MRXNPFEDSA-N -1 3 356.466 2.876 20 30 FFEDHM N#Cc1ccc2nc(NCC[N-]S(=O)(=O)c3cccs3)ccc2c1 ZINC000092923916 508108781 /nfs/dbraw/zinc/10/87/81/508108781.db2.gz MMYMIKLGISCXND-UHFFFAOYSA-N -1 3 358.448 2.558 20 30 FFEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000077724886 508360279 /nfs/dbraw/zinc/36/02/79/508360279.db2.gz JQAWNYDACZEZMC-LLVKDONJSA-N -1 3 357.451 2.989 20 30 FFEDHM COCc1ccccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156384052 508411817 /nfs/dbraw/zinc/41/18/17/508411817.db2.gz WDIYTOUPLPUCLZ-UHFFFAOYSA-N -1 3 350.827 2.837 20 30 FFEDHM COc1cccc(C2(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)c1 ZINC000122324813 508517519 /nfs/dbraw/zinc/51/75/19/508517519.db2.gz JKHGPYMMPKHVCC-UHFFFAOYSA-N -1 3 365.433 2.610 20 30 FFEDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000157237681 508540795 /nfs/dbraw/zinc/54/07/95/508540795.db2.gz SQHVWEWWAKQMLB-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM C=CCn1c(COc2ccccc2)nnc1SCc1cc(=O)c([O-])co1 ZINC000122704713 508574930 /nfs/dbraw/zinc/57/49/30/508574930.db2.gz BYSSWPKSZMTNDP-UHFFFAOYSA-N -1 3 371.418 2.994 20 30 FFEDHM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)ccc2NC1=O ZINC000135379650 508596598 /nfs/dbraw/zinc/59/65/98/508596598.db2.gz ALWFYGRSYUYWJO-UHFFFAOYSA-N -1 3 359.382 2.728 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000123054730 508628708 /nfs/dbraw/zinc/62/87/08/508628708.db2.gz UVJMCJIPXISZQR-UHFFFAOYSA-N -1 3 372.512 2.569 20 30 FFEDHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)nc3)cc2[nH]1 ZINC000123261864 508660440 /nfs/dbraw/zinc/66/04/40/508660440.db2.gz IJHZXZQJWJVMDG-UHFFFAOYSA-N -1 3 355.423 2.973 20 30 FFEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000129100683 508683064 /nfs/dbraw/zinc/68/30/64/508683064.db2.gz QFEBTEXIHDYOBY-UHFFFAOYSA-N -1 3 362.282 2.507 20 30 FFEDHM Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c([O-])c1O ZINC000369449884 512416150 /nfs/dbraw/zinc/41/61/50/512416150.db2.gz AIZGARHFAOKTBT-UHFFFAOYSA-N -1 3 365.433 2.694 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000139587915 508791364 /nfs/dbraw/zinc/79/13/64/508791364.db2.gz ZKNXOGCNASCLHK-UHFFFAOYSA-N -1 3 353.382 2.636 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000139587915 508791368 /nfs/dbraw/zinc/79/13/68/508791368.db2.gz ZKNXOGCNASCLHK-UHFFFAOYSA-N -1 3 353.382 2.636 20 30 FFEDHM CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000159225561 508810957 /nfs/dbraw/zinc/81/09/57/508810957.db2.gz FTUYBTCJSVTXAM-UHFFFAOYSA-N -1 3 364.389 2.654 20 30 FFEDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000124498205 508841379 /nfs/dbraw/zinc/84/13/79/508841379.db2.gz SEXOQHWWXPNGKZ-CYBMUJFWSA-N -1 3 352.847 2.705 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cnn(-c2ccccc2)c1 ZINC000156309570 509157934 /nfs/dbraw/zinc/15/79/34/509157934.db2.gz PDWBIJPEKPPRAJ-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccccc2F)CC1 ZINC000127038575 509161553 /nfs/dbraw/zinc/16/15/53/509161553.db2.gz BQOLWZVXUGPCMT-UHFFFAOYSA-N -1 3 353.397 2.741 20 30 FFEDHM Cc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c([O-])c1O ZINC000182385713 509208675 /nfs/dbraw/zinc/20/86/75/509208675.db2.gz SEOYXYYZTSLEJF-UHFFFAOYSA-N -1 3 352.390 2.962 20 30 FFEDHM N#C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000182410246 509223103 /nfs/dbraw/zinc/22/31/03/509223103.db2.gz JQNZWGLPTLZXAT-RBUKOAKNSA-N -1 3 363.417 2.672 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)c1 ZINC000186224702 509587554 /nfs/dbraw/zinc/58/75/54/509587554.db2.gz JTOXMFXWMNZPQY-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2csc(CCc3ccccc3)n2)CC1 ZINC000165917635 509588146 /nfs/dbraw/zinc/58/81/46/509588146.db2.gz HPTVROABCZAWMN-UHFFFAOYSA-N -1 3 361.492 2.651 20 30 FFEDHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)C2CC2)n1 ZINC000173465409 509617941 /nfs/dbraw/zinc/61/79/41/509617941.db2.gz JKHIUWIKVUHBOZ-CQSZACIVSA-N -1 3 351.428 2.892 20 30 FFEDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000183655943 509909827 /nfs/dbraw/zinc/90/98/27/509909827.db2.gz FBQQOPRYNOIEOU-UHFFFAOYSA-N -1 3 355.872 2.806 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ccoc3Br)n2)cc1 ZINC000193675991 510015445 /nfs/dbraw/zinc/01/54/45/510015445.db2.gz ZJUGJCUCUJAEOK-UHFFFAOYSA-N -1 3 372.182 2.806 20 30 FFEDHM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1cnc2ccccc2n1 ZINC000190917139 510415042 /nfs/dbraw/zinc/41/50/42/510415042.db2.gz WYWULENOTUHVEA-MRXNPFEDSA-N -1 3 354.373 2.760 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Oc1ccccc1 ZINC000184708309 510475647 /nfs/dbraw/zinc/47/56/47/510475647.db2.gz MOZSQJQVFJUXEN-LBPRGKRZSA-N -1 3 350.827 2.957 20 30 FFEDHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000181713521 510553565 /nfs/dbraw/zinc/55/35/65/510553565.db2.gz HHLVENCESWXXRF-UHFFFAOYSA-N -1 3 352.847 2.543 20 30 FFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C12CCC2 ZINC000184922717 510586481 /nfs/dbraw/zinc/58/64/81/510586481.db2.gz CGTRFGPMXMRCDO-CABCVRRESA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(F)c1 ZINC000178808928 510784379 /nfs/dbraw/zinc/78/43/79/510784379.db2.gz DFAVCOHQGZEYEG-UHFFFAOYSA-N -1 3 359.382 2.773 20 30 FFEDHM Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2csc(=O)[n-]2)cs1 ZINC000329920052 510876926 /nfs/dbraw/zinc/87/69/26/510876926.db2.gz DRZWQNPQWDGWOO-ONGXEEELSA-N -1 3 356.448 2.531 20 30 FFEDHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000294165269 510976801 /nfs/dbraw/zinc/97/68/01/510976801.db2.gz VNBYTIBZHCSBSQ-UHFFFAOYSA-N -1 3 365.361 2.996 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c1 ZINC000282474229 510992426 /nfs/dbraw/zinc/99/24/26/510992426.db2.gz XAWVTAPXKMXECI-HNNXBMFYSA-N -1 3 354.859 2.839 20 30 FFEDHM C=CCCCCCCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000287231862 511044801 /nfs/dbraw/zinc/04/48/01/511044801.db2.gz WAMUIMHFMQXCFM-MRXNPFEDSA-N -1 3 358.442 2.695 20 30 FFEDHM CN(C)[C@@]1(CNC(=O)c2ccc(Br)cc2[O-])CCSC1 ZINC000331224783 511051232 /nfs/dbraw/zinc/05/12/32/511051232.db2.gz BJKJORVLAZRKSN-CQSZACIVSA-N -1 3 359.289 2.897 20 30 FFEDHM CCc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c([O-])c1 ZINC000364912114 511149699 /nfs/dbraw/zinc/14/96/99/511149699.db2.gz AICNLORNHFDNKL-UHFFFAOYSA-N -1 3 350.422 2.620 20 30 FFEDHM COCc1ccccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000298388382 511267008 /nfs/dbraw/zinc/26/70/08/511267008.db2.gz RERIRFDCYIMNTL-UHFFFAOYSA-N -1 3 353.422 2.671 20 30 FFEDHM CSCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1nnc2ccccn21 ZINC000291855982 511366870 /nfs/dbraw/zinc/36/68/70/511366870.db2.gz ONRVTZQRVGFYFE-IXJMWADBSA-N -1 3 371.466 2.544 20 30 FFEDHM CO[C@@H]1Cc2ccccc2N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000283446986 511370353 /nfs/dbraw/zinc/37/03/53/511370353.db2.gz XXERMJXXHRZSGT-MRXNPFEDSA-N -1 3 365.433 2.813 20 30 FFEDHM CC(F)(F)CCNC(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000299411034 511625671 /nfs/dbraw/zinc/62/56/71/511625671.db2.gz SYSBVCPQATUQTL-SNVBAGLBSA-N -1 3 374.256 2.846 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000365772438 511646310 /nfs/dbraw/zinc/64/63/10/511646310.db2.gz ADBXYGHFZFAGDH-CYBMUJFWSA-N -1 3 363.462 2.615 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000365772438 511646314 /nfs/dbraw/zinc/64/63/14/511646314.db2.gz ADBXYGHFZFAGDH-CYBMUJFWSA-N -1 3 363.462 2.615 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3F)C2)s1 ZINC000366097043 511838029 /nfs/dbraw/zinc/83/80/29/511838029.db2.gz XYRBZMCPHWXVAG-LBPRGKRZSA-N -1 3 365.455 2.564 20 30 FFEDHM C=CCCCCNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000274464154 511845128 /nfs/dbraw/zinc/84/51/28/511845128.db2.gz CFRHKLTXGOBSPE-UHFFFAOYSA-N -1 3 371.528 2.557 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC(C)(C)C ZINC000325389658 511847351 /nfs/dbraw/zinc/84/73/51/511847351.db2.gz CGDGIOKLBGGHBM-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc2nn[n-]c21 ZINC000328636055 511903045 /nfs/dbraw/zinc/90/30/45/511903045.db2.gz AAAFJMZOLSLVIC-CLAHSXSESA-N -1 3 360.311 2.885 20 30 FFEDHM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc2[n-]nnc21 ZINC000328636055 511903047 /nfs/dbraw/zinc/90/30/47/511903047.db2.gz AAAFJMZOLSLVIC-CLAHSXSESA-N -1 3 360.311 2.885 20 30 FFEDHM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc2n[n-]nc21 ZINC000328636055 511903051 /nfs/dbraw/zinc/90/30/51/511903051.db2.gz AAAFJMZOLSLVIC-CLAHSXSESA-N -1 3 360.311 2.885 20 30 FFEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000328640633 511904144 /nfs/dbraw/zinc/90/41/44/511904144.db2.gz CSCPBYHGLKQBFI-UWVGGRQHSA-N -1 3 368.187 2.872 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000281740056 511949702 /nfs/dbraw/zinc/94/97/02/511949702.db2.gz GWZDZVODPFVSCL-IUODEOHRSA-N -1 3 369.259 2.935 20 30 FFEDHM C[C@@H]1CN(Cc2cccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)c2)C[C@@H](C)O1 ZINC000328992828 511963476 /nfs/dbraw/zinc/96/34/76/511963476.db2.gz SUXZVGNWKSVKHE-JMSVASOKSA-N -1 3 360.414 2.527 20 30 FFEDHM Cn1nccc1[C@@H]1[C@@H](C(=O)Nc2cc(F)ccc2[O-])CCC(=O)N1C1CC1 ZINC000329009787 511967370 /nfs/dbraw/zinc/96/73/70/511967370.db2.gz ZISAVIGXXUGYFG-UGSOOPFHSA-N -1 3 372.400 2.995 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(OCC2CC2)CC1 ZINC000364275309 512060229 /nfs/dbraw/zinc/06/02/29/512060229.db2.gz RWPWRBVPLCECCW-UHFFFAOYSA-N -1 3 357.454 2.626 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000411067056 512457757 /nfs/dbraw/zinc/45/77/57/512457757.db2.gz PMAILXSJZQUMGG-UHFFFAOYSA-N -1 3 362.389 2.921 20 30 FFEDHM CC(F)(F)CCNC(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000411567772 512694009 /nfs/dbraw/zinc/69/40/09/512694009.db2.gz JMWXZBLSVOAKJX-JTQLQIEISA-N -1 3 374.256 2.846 20 30 FFEDHM CC(F)(F)CCNC(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000411567775 512694138 /nfs/dbraw/zinc/69/41/38/512694138.db2.gz JMWXZBLSVOAKJX-SNVBAGLBSA-N -1 3 374.256 2.846 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000374450680 512839335 /nfs/dbraw/zinc/83/93/35/512839335.db2.gz HAPZUQXKRUXBLM-HNNXBMFYSA-N -1 3 354.859 2.839 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC23CCOCC3)s1 ZINC000368239750 512860417 /nfs/dbraw/zinc/86/04/17/512860417.db2.gz HGMUDBGAJOJSJZ-QGZVFWFLSA-N -1 3 374.487 2.992 20 30 FFEDHM CCOC(=O)c1c([N-]C(=O)C(=O)N(CC)CCC#N)scc1C(C)C ZINC000446860552 513352253 /nfs/dbraw/zinc/35/22/53/513352253.db2.gz HHDAMGCSUXGOAQ-UHFFFAOYSA-N -1 3 365.455 2.749 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000425187620 513442347 /nfs/dbraw/zinc/44/23/47/513442347.db2.gz FXYSJDLWMFJPFS-WDEREUQCSA-N -1 3 364.448 2.658 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000425191896 513445384 /nfs/dbraw/zinc/44/53/84/513445384.db2.gz YPHOXNQHQRMADJ-WCBMZHEXSA-N -1 3 350.774 2.912 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nc4c(s3)COCC4)on2)c1 ZINC000447485093 513486743 /nfs/dbraw/zinc/48/67/43/513486743.db2.gz XODZOHHODLLBSP-UHFFFAOYSA-N -1 3 352.375 2.995 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)on2)c1 ZINC000447569310 513511592 /nfs/dbraw/zinc/51/15/92/513511592.db2.gz OZIIJALRVLIAAN-UHFFFAOYSA-N -1 3 371.360 2.569 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)on2)c1 ZINC000447569310 513511600 /nfs/dbraw/zinc/51/16/00/513511600.db2.gz OZIIJALRVLIAAN-UHFFFAOYSA-N -1 3 371.360 2.569 20 30 FFEDHM Cc1noc(C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccccc2)n1 ZINC000435419014 513577261 /nfs/dbraw/zinc/57/72/61/513577261.db2.gz SQUKGDLWNQEZHY-AWEZNQCLSA-N -1 3 374.447 2.574 20 30 FFEDHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435439032 513588857 /nfs/dbraw/zinc/58/88/57/513588857.db2.gz SOZPLBHNCWKWLQ-VIFPVBQESA-N -1 3 358.391 2.644 20 30 FFEDHM CC[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435446570 513593654 /nfs/dbraw/zinc/59/36/54/513593654.db2.gz KPAHDPDNJTWHBD-ZDUSSCGKSA-N -1 3 355.529 2.799 20 30 FFEDHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000447934551 513629970 /nfs/dbraw/zinc/62/99/70/513629970.db2.gz ZBFFXXKIZAIXDZ-OAHLLOKOSA-N -1 3 355.891 2.610 20 30 FFEDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451282455 513650021 /nfs/dbraw/zinc/65/00/21/513650021.db2.gz BUCMRZSLESVIJN-CYBMUJFWSA-N -1 3 370.883 2.788 20 30 FFEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccco1 ZINC000451326399 513678292 /nfs/dbraw/zinc/67/82/92/513678292.db2.gz CNQVFJVQDLXRFI-QGZVFWFLSA-N -1 3 360.435 2.991 20 30 FFEDHM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1cccc(C)c1C ZINC000451420608 513740745 /nfs/dbraw/zinc/74/07/45/513740745.db2.gz QPMUWNWQRITIQI-MRXNPFEDSA-N -1 3 364.467 2.521 20 30 FFEDHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443019155 513843824 /nfs/dbraw/zinc/84/38/24/513843824.db2.gz CWWOCSBACZAUPN-NSHDSACASA-N -1 3 352.362 2.582 20 30 FFEDHM COC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCC1 ZINC000451607450 513862564 /nfs/dbraw/zinc/86/25/64/513862564.db2.gz IKDLNTHIFMBUOA-UHFFFAOYSA-N -1 3 373.272 2.558 20 30 FFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C12CCC2 ZINC000443248163 513911293 /nfs/dbraw/zinc/91/12/93/513911293.db2.gz UZYMATVLVWRZCF-LSDHHAIUSA-N -1 3 354.859 2.838 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@]2(C#N)C[C@H]2C)c(F)cc1F ZINC000448871039 513943616 /nfs/dbraw/zinc/94/36/16/513943616.db2.gz FULPHKHXIPDSQG-PSLIRLAXSA-N -1 3 357.382 2.605 20 30 FFEDHM COc1cccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1[O-] ZINC000437004465 514073951 /nfs/dbraw/zinc/07/39/51/514073951.db2.gz QTHDXYLSXQNGGW-UHFFFAOYSA-N -1 3 371.824 2.888 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000432128633 514102235 /nfs/dbraw/zinc/10/22/35/514102235.db2.gz HDPJSHUDEQABKS-NSHDSACASA-N -1 3 363.826 2.783 20 30 FFEDHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000451992307 514115975 /nfs/dbraw/zinc/11/59/75/514115975.db2.gz OBCBUAJNPNRSIX-OTYXRUKQSA-N -1 3 362.373 2.669 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cs1 ZINC000437335998 514142663 /nfs/dbraw/zinc/14/26/63/514142663.db2.gz XGHXLECSYHEHLQ-VIFPVBQESA-N -1 3 371.871 2.854 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000452025065 514144078 /nfs/dbraw/zinc/14/40/78/514144078.db2.gz ZIHAHMVRUBATDY-LLVKDONJSA-N -1 3 362.373 2.672 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000432292348 514150074 /nfs/dbraw/zinc/15/00/74/514150074.db2.gz UEDIFCIJLJMGRX-UHFFFAOYSA-N -1 3 357.347 2.691 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C#N)cs2)cc1OC ZINC000438281400 514343495 /nfs/dbraw/zinc/34/34/95/514343495.db2.gz YTWILYOSCGADOA-UHFFFAOYSA-N -1 3 365.436 2.642 20 30 FFEDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C)OC ZINC000424066040 514364385 /nfs/dbraw/zinc/36/43/85/514364385.db2.gz MQTKOVJGXUQSFM-SNVBAGLBSA-N -1 3 361.261 2.796 20 30 FFEDHM N#Cc1ccc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])c(F)c1 ZINC000417582642 514420838 /nfs/dbraw/zinc/42/08/38/514420838.db2.gz VMHBYGHPZQWJPD-GOSISDBHSA-N -1 3 353.397 2.693 20 30 FFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433227082 514428459 /nfs/dbraw/zinc/42/84/59/514428459.db2.gz JUPOLYYERYTRHT-HNNXBMFYSA-N -1 3 357.435 2.769 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(OC(F)F)c1 ZINC000428266365 514437819 /nfs/dbraw/zinc/43/78/19/514437819.db2.gz KNCHHMFGMPHKQZ-JTQLQIEISA-N -1 3 353.350 2.594 20 30 FFEDHM Cc1noc(C[C@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccccc2)n1 ZINC000428388456 514464411 /nfs/dbraw/zinc/46/44/11/514464411.db2.gz WIHMXAGHLGAODA-INIZCTEOSA-N -1 3 368.418 2.512 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428402191 514466648 /nfs/dbraw/zinc/46/66/48/514466648.db2.gz RHTMOTGBAGTBIY-SECBINFHSA-N -1 3 368.680 2.565 20 30 FFEDHM COC(=O)c1ccc(C(=O)OC)c([N-]C(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000445629809 514500585 /nfs/dbraw/zinc/50/05/85/514500585.db2.gz QEJRTHLWKBQTIK-UHFFFAOYSA-N -1 3 374.299 2.662 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470707318 514582508 /nfs/dbraw/zinc/58/25/08/514582508.db2.gz XRGZPONYFUIJEV-UHFFFAOYSA-N -1 3 358.329 2.894 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000470831303 514632093 /nfs/dbraw/zinc/63/20/93/514632093.db2.gz LMXWGAQDDXJFCW-UHFFFAOYSA-N -1 3 374.495 2.928 20 30 FFEDHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000467153078 514919855 /nfs/dbraw/zinc/91/98/55/514919855.db2.gz SQVNQTHNKPQXJI-GFCCVEGCSA-N -1 3 371.453 2.625 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1noc(-c2ccccc2)n1 ZINC000489681856 514936754 /nfs/dbraw/zinc/93/67/54/514936754.db2.gz UWQKNQUQHOWHCU-NSHDSACASA-N -1 3 372.381 2.787 20 30 FFEDHM COc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)c1 ZINC000467320231 514976472 /nfs/dbraw/zinc/97/64/72/514976472.db2.gz WAYBCPBEDYISOA-UHFFFAOYSA-N -1 3 357.385 2.672 20 30 FFEDHM Cn1ncc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c1C#N ZINC000476282103 514982078 /nfs/dbraw/zinc/98/20/78/514982078.db2.gz UOZPZVYRMZYHQL-UHFFFAOYSA-N -1 3 361.192 2.663 20 30 FFEDHM C=CCC(C)(C)CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000490004147 515064857 /nfs/dbraw/zinc/06/48/57/515064857.db2.gz LWUHJNPSFLKOJQ-INIZCTEOSA-N -1 3 370.490 2.847 20 30 FFEDHM C=CCOc1cccc([N-]S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)c1 ZINC000476513084 515080507 /nfs/dbraw/zinc/08/05/07/515080507.db2.gz TXFDLVOEFVSDDK-HOTGVXAUSA-N -1 3 353.440 2.725 20 30 FFEDHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000490469245 515223723 /nfs/dbraw/zinc/22/37/23/515223723.db2.gz IXNRJKGJZVWNQY-UHFFFAOYSA-N -1 3 370.887 2.708 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(cccc2F)n1C ZINC000468345421 515321124 /nfs/dbraw/zinc/32/11/24/515321124.db2.gz FQFXNKNSTNRUNU-UHFFFAOYSA-N -1 3 367.384 2.873 20 30 FFEDHM C=CCN1C(=O)c2ccc(C(=O)N3CCCc4cccc([O-])c43)cc2C1=O ZINC000490874241 515324324 /nfs/dbraw/zinc/32/43/24/515324324.db2.gz SLHLVQSUBNDYFR-UHFFFAOYSA-N -1 3 362.385 2.767 20 30 FFEDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000486638100 515575224 /nfs/dbraw/zinc/57/52/24/515575224.db2.gz FEOJDWXXNOMSLO-NXEZZACHSA-N -1 3 367.862 2.883 20 30 FFEDHM N#Cc1cccc(N2CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000459477850 515580417 /nfs/dbraw/zinc/58/04/17/515580417.db2.gz JOWDCEBBPHVALL-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCSCC2)c(C(F)(F)F)c1 ZINC000500122375 515598654 /nfs/dbraw/zinc/59/86/54/515598654.db2.gz MQQLIFQITMKJLH-UHFFFAOYSA-N -1 3 364.414 2.999 20 30 FFEDHM C=CCSCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482179287 515599255 /nfs/dbraw/zinc/59/92/55/515599255.db2.gz AIDIZKRYVRROJF-UHFFFAOYSA-N -1 3 355.261 2.559 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000493530582 515637723 /nfs/dbraw/zinc/63/77/23/515637723.db2.gz SDPVJKRJYKWOIB-AWEZNQCLSA-N -1 3 373.902 2.982 20 30 FFEDHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)nn1-c1cccc(C#N)c1 ZINC000506211451 515818002 /nfs/dbraw/zinc/81/80/02/515818002.db2.gz SBYDBAKZUDHRRD-UHFFFAOYSA-N -1 3 369.388 2.512 20 30 FFEDHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1F ZINC000478692309 515926347 /nfs/dbraw/zinc/92/63/47/515926347.db2.gz AAKNIGGIOUXUJD-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM N#CC(=C([O-])c1cccc([C@H]2CCOC2)c1)c1nnc2n1CCCCC2 ZINC000535638137 516431272 /nfs/dbraw/zinc/43/12/72/516431272.db2.gz NAJSPQWBOZPKMK-IRXDYDNUSA-N -1 3 350.422 2.998 20 30 FFEDHM CC(C)c1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557784123 516437474 /nfs/dbraw/zinc/43/74/74/516437474.db2.gz CLXUAFYMCTZKAK-UHFFFAOYSA-N -1 3 370.434 2.939 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554524784 516486651 /nfs/dbraw/zinc/48/66/51/516486651.db2.gz ROKRCIATMQCOMI-UHFFFAOYSA-N -1 3 351.366 2.885 20 30 FFEDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)ccc1Cl ZINC000555431970 516927333 /nfs/dbraw/zinc/92/73/33/516927333.db2.gz FNNWURQRKABLCX-UHFFFAOYSA-N -1 3 356.856 2.803 20 30 FFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C12CCCC2 ZINC000525180560 516947533 /nfs/dbraw/zinc/94/75/33/516947533.db2.gz DOQIJTFYUDBREO-CVEARBPZSA-N -1 3 352.431 2.713 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(S(=O)(=O)C(C)C)c2)nc(C)n1 ZINC000545327294 517177214 /nfs/dbraw/zinc/17/72/14/517177214.db2.gz YRNPUNGHJMCMJO-MRXNPFEDSA-N -1 3 357.435 2.766 20 30 FFEDHM N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)C2)nc1 ZINC000553242712 517595873 /nfs/dbraw/zinc/59/58/73/517595873.db2.gz AEANIVLDGKDKQR-INIZCTEOSA-N -1 3 363.417 2.831 20 30 FFEDHM C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)NC(=O)[N-]C1=O ZINC000538685679 517721576 /nfs/dbraw/zinc/72/15/76/517721576.db2.gz LEUMJOGFAUNAQL-SFHVURJKSA-N -1 3 368.780 2.519 20 30 FFEDHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)c1 ZINC000553461187 517725461 /nfs/dbraw/zinc/72/54/61/517725461.db2.gz KRGOORQWJDIICK-UHFFFAOYSA-N -1 3 370.409 2.874 20 30 FFEDHM CCc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1[O-] ZINC000542820673 517763728 /nfs/dbraw/zinc/76/37/28/517763728.db2.gz LBWURHQPZYTYEN-GOSISDBHSA-N -1 3 363.417 2.752 20 30 FFEDHM N#CCC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000553561019 517784135 /nfs/dbraw/zinc/78/41/35/517784135.db2.gz OOWIIDUCEZYUGG-UHFFFAOYSA-N -1 3 352.309 2.696 20 30 FFEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)C(F)F)nc1)c1ccncn1 ZINC000546859378 517891299 /nfs/dbraw/zinc/89/12/99/517891299.db2.gz NCKGDKVOGAPWFW-SNVBAGLBSA-N -1 3 354.263 2.641 20 30 FFEDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000563548606 517975163 /nfs/dbraw/zinc/97/51/63/517975163.db2.gz IACZBGRCIYCRJK-UHFFFAOYSA-N -1 3 372.372 2.833 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c([O-])c1 ZINC000534828411 518050528 /nfs/dbraw/zinc/05/05/28/518050528.db2.gz VECOVDRXZPDRHX-GFCCVEGCSA-N -1 3 354.362 2.847 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000566828443 518219516 /nfs/dbraw/zinc/21/95/16/518219516.db2.gz OGVOBOPHLDCKSF-NHYWBVRUSA-N -1 3 374.890 2.970 20 30 FFEDHM N#Cc1cccc(-n2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)n2)c1 ZINC000564862971 518660061 /nfs/dbraw/zinc/66/00/61/518660061.db2.gz UKNAGMCRTKOLGN-UHFFFAOYSA-N -1 3 354.333 2.732 20 30 FFEDHM Cc1ncsc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000570876079 518820633 /nfs/dbraw/zinc/82/06/33/518820633.db2.gz MKMWIEBOYSNKNL-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)n[n-]2)o1 ZINC000588836957 518842886 /nfs/dbraw/zinc/84/28/86/518842886.db2.gz WFAGCFFHXPADHL-UHFFFAOYSA-N -1 3 373.376 2.870 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)[n-]n2)o1 ZINC000588836957 518842890 /nfs/dbraw/zinc/84/28/90/518842890.db2.gz WFAGCFFHXPADHL-UHFFFAOYSA-N -1 3 373.376 2.870 20 30 FFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000568050698 518849303 /nfs/dbraw/zinc/84/93/03/518849303.db2.gz AVMTWEHNUQHNET-UHFFFAOYSA-N -1 3 361.847 2.770 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1OCCc2sccc21 ZINC000589935282 519107402 /nfs/dbraw/zinc/10/74/02/519107402.db2.gz QJYZVTLDTUSMJS-HWPZZCPQSA-N -1 3 366.439 2.740 20 30 FFEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000574344420 519111074 /nfs/dbraw/zinc/11/10/74/519111074.db2.gz ONLRZZTWKGCTHS-UHFFFAOYSA-N -1 3 361.354 2.573 20 30 FFEDHM COCC1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000583642139 519356130 /nfs/dbraw/zinc/35/61/30/519356130.db2.gz QADXJQZGEXTKRS-UHFFFAOYSA-N -1 3 362.373 2.815 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2C)OCCC3)c(C#N)c1C ZINC000590975041 519466981 /nfs/dbraw/zinc/46/69/81/519466981.db2.gz SHDLBLHYLZUENN-UHFFFAOYSA-N -1 3 374.422 2.645 20 30 FFEDHM CC(=O)c1cccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)c1[O-] ZINC000575079381 519488867 /nfs/dbraw/zinc/48/88/67/519488867.db2.gz YJPIQVNPQUOZIL-UHFFFAOYSA-N -1 3 354.410 2.893 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C4CCOCC4)nn3)sc2C1 ZINC000572333207 519558439 /nfs/dbraw/zinc/55/84/39/519558439.db2.gz CDBISCCUCWWVBD-LLVKDONJSA-N -1 3 371.466 2.940 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000569497700 519581792 /nfs/dbraw/zinc/58/17/92/519581792.db2.gz OYARTJPPKDCVJD-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594472891 519983235 /nfs/dbraw/zinc/98/32/35/519983235.db2.gz HJESULXEJNYTNU-GDBMZVCRSA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1ccc(CCNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000603040512 520041981 /nfs/dbraw/zinc/04/19/81/520041981.db2.gz AIXNXADZLDJMHD-UHFFFAOYSA-N -1 3 371.750 2.757 20 30 FFEDHM CCOC(=O)c1nc(C2CCN(C(=O)CC3(C#N)CCCCC3)CC2)n[n-]1 ZINC000597573296 520111721 /nfs/dbraw/zinc/11/17/21/520111721.db2.gz CTOQXWOIOXMZLU-UHFFFAOYSA-N -1 3 373.457 2.552 20 30 FFEDHM CCOC(=O)c1nnc(C2CCN(C(=O)CC3(C#N)CCCCC3)CC2)[n-]1 ZINC000597573296 520111727 /nfs/dbraw/zinc/11/17/27/520111727.db2.gz CTOQXWOIOXMZLU-UHFFFAOYSA-N -1 3 373.457 2.552 20 30 FFEDHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594759268 520139203 /nfs/dbraw/zinc/13/92/03/520139203.db2.gz NINFPGKPGHVFLU-INIZCTEOSA-N -1 3 352.481 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@](C)(O)C(C)C ZINC000594760770 520140842 /nfs/dbraw/zinc/14/08/42/520140842.db2.gz SJNRTNOYDYPVFQ-INIZCTEOSA-N -1 3 352.481 2.767 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(C)(C)O ZINC000594776903 520150121 /nfs/dbraw/zinc/15/01/21/520150121.db2.gz OFLKIOPUEMOLAQ-CQSZACIVSA-N -1 3 352.481 2.909 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000592048892 520153566 /nfs/dbraw/zinc/15/35/66/520153566.db2.gz QBNBKALSFMSDLS-UHFFFAOYSA-N -1 3 354.737 2.821 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1C[C@@H](C)n2ncnc21 ZINC000594810522 520168962 /nfs/dbraw/zinc/16/89/62/520168962.db2.gz UVRHDESCPVABFW-RNCFNFMXSA-N -1 3 373.463 2.657 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1(CO)CC=CC1 ZINC000592100076 520183125 /nfs/dbraw/zinc/18/31/25/520183125.db2.gz FPJBVWRHTWIRRN-MRXNPFEDSA-N -1 3 368.886 2.843 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1(F)F ZINC000594849895 520186877 /nfs/dbraw/zinc/18/68/77/520186877.db2.gz AVPOYQKHIYSGCR-NSHDSACASA-N -1 3 354.300 2.901 20 30 FFEDHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000600638287 520370111 /nfs/dbraw/zinc/37/01/11/520370111.db2.gz CJYPISRIWVJGAO-SFHVURJKSA-N -1 3 362.426 2.891 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000617247097 520395284 /nfs/dbraw/zinc/39/52/84/520395284.db2.gz OCMQLXINCGVCBT-UHFFFAOYSA-N -1 3 351.653 2.931 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cc(-c3cccc(F)c3)no2)nc2n1CCS2 ZINC000609814508 520442195 /nfs/dbraw/zinc/44/21/95/520442195.db2.gz FSBBHAARKSTVPU-UHFFFAOYSA-N -1 3 355.354 2.907 20 30 FFEDHM C[C@@H](C#N)N(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CC1 ZINC000598134784 520445095 /nfs/dbraw/zinc/44/50/95/520445095.db2.gz YWFRPSGYWRUDSY-NSHDSACASA-N -1 3 370.434 2.547 20 30 FFEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000609922058 520481420 /nfs/dbraw/zinc/48/14/20/520481420.db2.gz NLPHSAXNNKSGHW-UHFFFAOYSA-N -1 3 361.401 2.740 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000598202311 520491238 /nfs/dbraw/zinc/49/12/38/520491238.db2.gz QSODATJVGPWIHU-JCNLHEQBSA-N -1 3 365.433 2.935 20 30 FFEDHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000610366655 520651648 /nfs/dbraw/zinc/65/16/48/520651648.db2.gz PGTXUNDINFXFSM-KDOFPFPSSA-N -1 3 363.417 2.746 20 30 FFEDHM CCCc1nc(C(=O)[N-]c2sc3c(c2C#N)CCN(C(C)=O)C3)co1 ZINC000598890080 520903754 /nfs/dbraw/zinc/90/37/54/520903754.db2.gz FFBWABUTEOGLPW-UHFFFAOYSA-N -1 3 358.423 2.717 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)c(Cl)c1 ZINC000618179848 520919759 /nfs/dbraw/zinc/91/97/59/520919759.db2.gz ANYNPAWQFZBXJA-AWEZNQCLSA-N -1 3 362.838 2.753 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccnc(OC2CCCC2)c1 ZINC000593528458 521052814 /nfs/dbraw/zinc/05/28/14/521052814.db2.gz LXZZXHRROJBQKS-UHFFFAOYSA-N -1 3 363.464 2.815 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000593534394 521057047 /nfs/dbraw/zinc/05/70/47/521057047.db2.gz KYUXMYGCZMVCBN-XJKSGUPXSA-N -1 3 366.439 2.957 20 30 FFEDHM C[C@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593536868 521058917 /nfs/dbraw/zinc/05/89/17/521058917.db2.gz VMQUHLMOWNIWAF-LLVKDONJSA-N -1 3 364.448 2.648 20 30 FFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CN1Cc1ccccc1 ZINC000593562216 521078421 /nfs/dbraw/zinc/07/84/21/521078421.db2.gz CKRRWQHBWZZZRC-ZFWWWQNUSA-N -1 3 361.492 2.561 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c(F)c1 ZINC000593595909 521097264 /nfs/dbraw/zinc/09/72/64/521097264.db2.gz KVGTWNNBEOGQNO-UHFFFAOYSA-N -1 3 356.419 2.611 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2F)C1 ZINC000593596518 521099316 /nfs/dbraw/zinc/09/93/16/521099316.db2.gz CYYIAJSBJIQOPM-GFCCVEGCSA-N -1 3 365.455 2.564 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000611619528 521251698 /nfs/dbraw/zinc/25/16/98/521251698.db2.gz KPYJCRLTMYEISZ-UHFFFAOYSA-N -1 3 361.261 2.676 20 30 FFEDHM N#CC1(c2ccc(CN3CCN(C(=O)c4ccccc4[O-])CC3)cc2)CC1 ZINC000596986142 521424247 /nfs/dbraw/zinc/42/42/47/521424247.db2.gz KRJKJLUZUVAAPL-UHFFFAOYSA-N -1 3 361.445 2.905 20 30 FFEDHM CSc1ccc([O-])c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC000597051040 521470629 /nfs/dbraw/zinc/47/06/29/521470629.db2.gz FTIZFEYXKVJAJC-UHFFFAOYSA-N -1 3 353.447 2.948 20 30 FFEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000632642121 522209464 /nfs/dbraw/zinc/20/94/64/522209464.db2.gz LFUYOHYMMQPUCN-UHFFFAOYSA-N -1 3 358.529 2.697 20 30 FFEDHM CCC(F)(F)CNC(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000627849296 523157883 /nfs/dbraw/zinc/15/78/83/523157883.db2.gz ATNLVGXAMKZRPW-SNVBAGLBSA-N -1 3 374.256 2.846 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2c[n-]nc2-c2ccncc2)n1 ZINC000512137348 561893662 /nfs/dbraw/zinc/89/36/62/561893662.db2.gz IGNLCFMWTTZFGZ-UHFFFAOYSA-N -1 3 373.351 2.920 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cn[n-]c2-c2ccncc2)n1 ZINC000512137348 561893664 /nfs/dbraw/zinc/89/36/64/561893664.db2.gz IGNLCFMWTTZFGZ-UHFFFAOYSA-N -1 3 373.351 2.920 20 30 FFEDHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736194170 598915030 /nfs/dbraw/zinc/91/50/30/598915030.db2.gz WXUYQGSSCDBKOQ-LBPRGKRZSA-N -1 3 364.434 2.999 20 30 FFEDHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736194170 598915031 /nfs/dbraw/zinc/91/50/31/598915031.db2.gz WXUYQGSSCDBKOQ-LBPRGKRZSA-N -1 3 364.434 2.999 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737715911 598918749 /nfs/dbraw/zinc/91/87/49/598918749.db2.gz HZVIOWOHUHKWRK-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737715911 598918751 /nfs/dbraw/zinc/91/87/51/598918751.db2.gz HZVIOWOHUHKWRK-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc(C#N)cc1 ZINC000737033144 598938662 /nfs/dbraw/zinc/93/86/62/598938662.db2.gz SVCMUCDPWPWWRM-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc(C#N)cc1 ZINC000737033144 598938664 /nfs/dbraw/zinc/93/86/64/598938664.db2.gz SVCMUCDPWPWWRM-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM CCCCn1nc(C)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000821082066 607253461 /nfs/dbraw/zinc/25/34/61/607253461.db2.gz GDUMEJPSROLPMS-UHFFFAOYSA-N -1 3 372.864 2.949 20 30 FFEDHM CCCCn1nc(C)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000821082066 607253462 /nfs/dbraw/zinc/25/34/62/607253462.db2.gz GDUMEJPSROLPMS-UHFFFAOYSA-N -1 3 372.864 2.949 20 30 FFEDHM COCCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000821685240 607254514 /nfs/dbraw/zinc/25/45/14/607254514.db2.gz YISGAUJQOSFFOO-UHFFFAOYSA-N -1 3 354.389 2.536 20 30 FFEDHM COCCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000821685240 607254515 /nfs/dbraw/zinc/25/45/15/607254515.db2.gz YISGAUJQOSFFOO-UHFFFAOYSA-N -1 3 354.389 2.536 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000736182270 598970063 /nfs/dbraw/zinc/97/00/63/598970063.db2.gz CSZFNDCFLZNEKL-DJJJIMSYSA-N -1 3 368.441 2.613 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000736182270 598970065 /nfs/dbraw/zinc/97/00/65/598970065.db2.gz CSZFNDCFLZNEKL-DJJJIMSYSA-N -1 3 368.441 2.613 20 30 FFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735425794 598996649 /nfs/dbraw/zinc/99/66/49/598996649.db2.gz HFASINFEUSNWDN-UHFFFAOYSA-N -1 3 369.450 2.552 20 30 FFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735425794 598996651 /nfs/dbraw/zinc/99/66/51/598996651.db2.gz HFASINFEUSNWDN-UHFFFAOYSA-N -1 3 369.450 2.552 20 30 FFEDHM CCc1ccc(CCSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000736682255 599011389 /nfs/dbraw/zinc/01/13/89/599011389.db2.gz JRBYJRQVQKNYCW-UHFFFAOYSA-N -1 3 351.439 2.613 20 30 FFEDHM CCc1ccc(CCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000736682255 599011391 /nfs/dbraw/zinc/01/13/91/599011391.db2.gz JRBYJRQVQKNYCW-UHFFFAOYSA-N -1 3 351.439 2.613 20 30 FFEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1C#N ZINC000821786191 599115719 /nfs/dbraw/zinc/11/57/19/599115719.db2.gz BJUIUBJDKINLFQ-RIYZIHGNSA-N -1 3 357.373 2.959 20 30 FFEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1C#N ZINC000821786191 599115721 /nfs/dbraw/zinc/11/57/21/599115721.db2.gz BJUIUBJDKINLFQ-RIYZIHGNSA-N -1 3 357.373 2.959 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(OCC#N)cc2)cc1-c1nnn[n-]1 ZINC000737080941 599153279 /nfs/dbraw/zinc/15/32/79/599153279.db2.gz JBTOQBIDQYCHMJ-WAPJZHGLSA-N -1 3 361.361 2.674 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(OCC#N)cc2)cc1-c1nn[n-]n1 ZINC000737080941 599153282 /nfs/dbraw/zinc/15/32/82/599153282.db2.gz JBTOQBIDQYCHMJ-WAPJZHGLSA-N -1 3 361.361 2.674 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-n3cccn3)cc2)cc1-c1nnn[n-]1 ZINC000737081495 599155069 /nfs/dbraw/zinc/15/50/69/599155069.db2.gz OAJWXUMFWYLLRS-YCRREMRBSA-N -1 3 372.388 2.957 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-n3cccn3)cc2)cc1-c1nn[n-]n1 ZINC000737081495 599155071 /nfs/dbraw/zinc/15/50/71/599155071.db2.gz OAJWXUMFWYLLRS-YCRREMRBSA-N -1 3 372.388 2.957 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736189122 599165772 /nfs/dbraw/zinc/16/57/72/599165772.db2.gz ASGDPMYBIWYHPH-MGPLVRAMSA-N -1 3 362.434 2.541 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736189122 599165774 /nfs/dbraw/zinc/16/57/74/599165774.db2.gz ASGDPMYBIWYHPH-MGPLVRAMSA-N -1 3 362.434 2.541 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C(C)(C)C)on1 ZINC000735420260 599186353 /nfs/dbraw/zinc/18/63/53/599186353.db2.gz NSLAGEXDFJUDFG-UHFFFAOYSA-N -1 3 366.425 2.981 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C(C)(C)C)on1 ZINC000735420260 599186355 /nfs/dbraw/zinc/18/63/55/599186355.db2.gz NSLAGEXDFJUDFG-UHFFFAOYSA-N -1 3 366.425 2.981 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735580794 599191095 /nfs/dbraw/zinc/19/10/95/599191095.db2.gz LEMLCVAQYKWNDY-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735580794 599191097 /nfs/dbraw/zinc/19/10/97/599191097.db2.gz LEMLCVAQYKWNDY-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM Cc1ccc(OCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000737367095 599193767 /nfs/dbraw/zinc/19/37/67/599193767.db2.gz YYOYEPZYBZOREU-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1ccc(OCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C ZINC000737367095 599193771 /nfs/dbraw/zinc/19/37/71/599193771.db2.gz YYOYEPZYBZOREU-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820353351 599261905 /nfs/dbraw/zinc/26/19/05/599261905.db2.gz ZAERWEFFMMXGMC-STQMWFEESA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820353351 599261906 /nfs/dbraw/zinc/26/19/06/599261906.db2.gz ZAERWEFFMMXGMC-STQMWFEESA-N -1 3 361.409 2.860 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819702433 599278162 /nfs/dbraw/zinc/27/81/62/599278162.db2.gz ZFWGSKIZWMQKKE-UHFFFAOYSA-N -1 3 370.319 2.801 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819702433 599278164 /nfs/dbraw/zinc/27/81/64/599278164.db2.gz ZFWGSKIZWMQKKE-UHFFFAOYSA-N -1 3 370.319 2.801 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(NCC)s1 ZINC000819745405 607323761 /nfs/dbraw/zinc/32/37/61/607323761.db2.gz BJDPKMXEGCHVOZ-UHFFFAOYSA-N -1 3 369.454 2.583 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(NCC)s1 ZINC000819745405 607323762 /nfs/dbraw/zinc/32/37/62/607323762.db2.gz BJDPKMXEGCHVOZ-UHFFFAOYSA-N -1 3 369.454 2.583 20 30 FFEDHM Cc1n[nH]c(C)c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737452376 598314860 /nfs/dbraw/zinc/31/48/60/598314860.db2.gz HLZYXVGDMGXGAJ-UHFFFAOYSA-N -1 3 350.308 2.671 20 30 FFEDHM Cc1n[nH]c(C)c1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737452376 598314861 /nfs/dbraw/zinc/31/48/61/598314861.db2.gz HLZYXVGDMGXGAJ-UHFFFAOYSA-N -1 3 350.308 2.671 20 30 FFEDHM C=C(Cl)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735402057 598360098 /nfs/dbraw/zinc/36/00/98/598360098.db2.gz GTCMLEDOFITAQJ-UHFFFAOYSA-N -1 3 360.757 2.948 20 30 FFEDHM C=C(Cl)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735402057 598360100 /nfs/dbraw/zinc/36/01/00/598360100.db2.gz GTCMLEDOFITAQJ-UHFFFAOYSA-N -1 3 360.757 2.948 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204250 598379212 /nfs/dbraw/zinc/37/92/12/598379212.db2.gz YNQDTQZHSHURIS-BQYQJAHWSA-N -1 3 363.377 2.548 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204250 598379214 /nfs/dbraw/zinc/37/92/14/598379214.db2.gz YNQDTQZHSHURIS-BQYQJAHWSA-N -1 3 363.377 2.548 20 30 FFEDHM CCCC(C#N)(CCC)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736417440 598383091 /nfs/dbraw/zinc/38/30/91/598383091.db2.gz SBLWTTWKOQAMRY-ZDUSSCGKSA-N -1 3 356.430 2.613 20 30 FFEDHM CCCC(C#N)(CCC)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736417440 598383092 /nfs/dbraw/zinc/38/30/92/598383092.db2.gz SBLWTTWKOQAMRY-ZDUSSCGKSA-N -1 3 356.430 2.613 20 30 FFEDHM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)cn1)CCCCC2 ZINC000737704622 598437190 /nfs/dbraw/zinc/43/71/90/598437190.db2.gz IFFBPXCLRIGHJP-UHFFFAOYSA-N -1 3 365.422 2.716 20 30 FFEDHM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)cn1)CCCCC2 ZINC000737704622 598437191 /nfs/dbraw/zinc/43/71/91/598437191.db2.gz IFFBPXCLRIGHJP-UHFFFAOYSA-N -1 3 365.422 2.716 20 30 FFEDHM CCCCCCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736447290 598448352 /nfs/dbraw/zinc/44/83/52/598448352.db2.gz SXSXHCWRPTYFQA-UHFFFAOYSA-N -1 3 371.489 2.707 20 30 FFEDHM CCCCCCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736447290 598448354 /nfs/dbraw/zinc/44/83/54/598448354.db2.gz SXSXHCWRPTYFQA-UHFFFAOYSA-N -1 3 371.489 2.707 20 30 FFEDHM CON=Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737023316 598488285 /nfs/dbraw/zinc/48/82/85/598488285.db2.gz KAGYCPRLKVMENI-GFCCVEGCSA-N -1 3 351.366 2.765 20 30 FFEDHM CON=Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737023316 598488287 /nfs/dbraw/zinc/48/82/87/598488287.db2.gz KAGYCPRLKVMENI-GFCCVEGCSA-N -1 3 351.366 2.765 20 30 FFEDHM C=C1CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)CC1 ZINC000735402052 598535787 /nfs/dbraw/zinc/53/57/87/598535787.db2.gz GNECNCCCRCDMCI-UHFFFAOYSA-N -1 3 356.455 2.653 20 30 FFEDHM N#Cc1ccccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737727855 598645199 /nfs/dbraw/zinc/64/51/99/598645199.db2.gz TZXALIJJYFRMTM-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM N#Cc1ccccc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737727855 598645201 /nfs/dbraw/zinc/64/52/01/598645201.db2.gz TZXALIJJYFRMTM-UHFFFAOYSA-N -1 3 362.393 2.926 20 30 FFEDHM N#Cc1ccc(OC2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000737722526 598756274 /nfs/dbraw/zinc/75/62/74/598756274.db2.gz VZOPUDMNUNNKAG-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM N#Cc1ccc(OC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000737722526 598756275 /nfs/dbraw/zinc/75/62/75/598756275.db2.gz VZOPUDMNUNNKAG-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000735420110 598790990 /nfs/dbraw/zinc/79/09/90/598790990.db2.gz MKKGGGSKHUAPOT-QAPCUYQASA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000735420110 598790991 /nfs/dbraw/zinc/79/09/91/598790991.db2.gz MKKGGGSKHUAPOT-QAPCUYQASA-N -1 3 369.469 2.977 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737016005 598802399 /nfs/dbraw/zinc/80/23/99/598802399.db2.gz SVEFQXLNDUGRGF-JXMROGBWSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737016005 598802401 /nfs/dbraw/zinc/80/24/01/598802401.db2.gz SVEFQXLNDUGRGF-JXMROGBWSA-N -1 3 368.368 2.927 20 30 FFEDHM CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501936 599310631 /nfs/dbraw/zinc/31/06/31/599310631.db2.gz INBIOXMFEYXADL-ZDUSSCGKSA-N -1 3 362.393 2.559 20 30 FFEDHM CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501936 599310634 /nfs/dbraw/zinc/31/06/34/599310634.db2.gz INBIOXMFEYXADL-ZDUSSCGKSA-N -1 3 362.393 2.559 20 30 FFEDHM COc1cc(C#N)ccc1OCCOc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000821702895 599386635 /nfs/dbraw/zinc/38/66/35/599386635.db2.gz FWUDSMKIZCBABQ-UHFFFAOYSA-N -1 3 365.393 2.822 20 30 FFEDHM N#CCOc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737697628 599428341 /nfs/dbraw/zinc/42/83/41/599428341.db2.gz JUZUOWBBBPMCGW-UHFFFAOYSA-N -1 3 357.377 2.929 20 30 FFEDHM N#CCOc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737697628 599428343 /nfs/dbraw/zinc/42/83/43/599428343.db2.gz JUZUOWBBBPMCGW-UHFFFAOYSA-N -1 3 357.377 2.929 20 30 FFEDHM FC(F)Oc1ccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737639060 599458081 /nfs/dbraw/zinc/45/80/81/599458081.db2.gz MDFFOOLKJOBIRP-UHFFFAOYSA-N -1 3 370.323 2.562 20 30 FFEDHM FC(F)Oc1ccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737639060 599458083 /nfs/dbraw/zinc/45/80/83/599458083.db2.gz MDFFOOLKJOBIRP-UHFFFAOYSA-N -1 3 370.323 2.562 20 30 FFEDHM Cc1c(Cl)cccc1NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737216354 599458570 /nfs/dbraw/zinc/45/85/70/599458570.db2.gz RHNGAYPCBVNAPB-UHFFFAOYSA-N -1 3 352.789 2.922 20 30 FFEDHM Cc1c(Cl)cccc1NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737216354 599458572 /nfs/dbraw/zinc/45/85/72/599458572.db2.gz RHNGAYPCBVNAPB-UHFFFAOYSA-N -1 3 352.789 2.922 20 30 FFEDHM C#CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000819697978 599680909 /nfs/dbraw/zinc/68/09/09/599680909.db2.gz PLCKDSDEMRCQOY-CQSZACIVSA-N -1 3 352.442 2.905 20 30 FFEDHM C#CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000819697978 599680910 /nfs/dbraw/zinc/68/09/10/599680910.db2.gz PLCKDSDEMRCQOY-CQSZACIVSA-N -1 3 352.442 2.905 20 30 FFEDHM N#CCOc1ccc(Cl)cc1CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000739088227 600321131 /nfs/dbraw/zinc/32/11/31/600321131.db2.gz PWKSSKIRCYPFEJ-HNNXBMFYSA-N -1 3 352.818 2.698 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736095001 600344493 /nfs/dbraw/zinc/34/44/93/600344493.db2.gz CPFQDUHXNBNUEL-UHFFFAOYSA-N -1 3 360.458 2.958 20 30 FFEDHM CN(C(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825861 607438429 /nfs/dbraw/zinc/43/84/29/607438429.db2.gz LSPIVXJNQYILTL-UHFFFAOYSA-N -1 3 357.377 2.622 20 30 FFEDHM CN(C(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825861 607438430 /nfs/dbraw/zinc/43/84/30/607438430.db2.gz LSPIVXJNQYILTL-UHFFFAOYSA-N -1 3 357.377 2.622 20 30 FFEDHM CCOc1c(OC)cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737179993 600596465 /nfs/dbraw/zinc/59/64/65/600596465.db2.gz ZRSDABJPUICEAQ-SFHVURJKSA-N -1 3 370.405 2.890 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ncc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000823932123 607465706 /nfs/dbraw/zinc/46/57/06/607465706.db2.gz PFFRRKKDMIYQHJ-UHFFFAOYSA-N -1 3 373.376 2.627 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ncc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000823932123 607465707 /nfs/dbraw/zinc/46/57/07/607465707.db2.gz PFFRRKKDMIYQHJ-UHFFFAOYSA-N -1 3 373.376 2.627 20 30 FFEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2Cl)c1C#N ZINC000826303971 607538308 /nfs/dbraw/zinc/53/83/08/607538308.db2.gz PGFRTOBXZXPVQE-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM CCN(CC(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1)C(=O)[O-] ZINC000739385739 602866111 /nfs/dbraw/zinc/86/61/11/602866111.db2.gz UYZALZFIGJZEHT-ZDUSSCGKSA-N -1 3 359.407 2.995 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nc(C)sc1C ZINC000823914303 607709259 /nfs/dbraw/zinc/70/92/59/607709259.db2.gz FIWZSYGRCUMATG-UHFFFAOYSA-N -1 3 354.439 2.768 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nc(C)sc1C ZINC000823914303 607709261 /nfs/dbraw/zinc/70/92/61/607709261.db2.gz FIWZSYGRCUMATG-UHFFFAOYSA-N -1 3 354.439 2.768 20 30 FFEDHM CC(C)(C)c1ncsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000819972047 606148618 /nfs/dbraw/zinc/14/86/18/606148618.db2.gz YTPYKIIBSJPGCM-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM CC(C)(C)c1ncsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000819972047 606148620 /nfs/dbraw/zinc/14/86/20/606148620.db2.gz YTPYKIIBSJPGCM-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(C#N)cc1 ZINC000822204677 606221537 /nfs/dbraw/zinc/22/15/37/606221537.db2.gz WWXDKFVTZHBXOD-UHFFFAOYSA-N -1 3 359.368 2.768 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(C#N)cc1 ZINC000822204677 606221539 /nfs/dbraw/zinc/22/15/39/606221539.db2.gz WWXDKFVTZHBXOD-UHFFFAOYSA-N -1 3 359.368 2.768 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2coc3cc(F)ccc23)ccc1-c1nnn[n-]1 ZINC000822823425 606337998 /nfs/dbraw/zinc/33/79/98/606337998.db2.gz PUMIOOFKWRYANP-UHFFFAOYSA-N -1 3 362.324 2.805 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2coc3cc(F)ccc23)ccc1-c1nn[n-]n1 ZINC000822823425 606338000 /nfs/dbraw/zinc/33/80/00/606338000.db2.gz PUMIOOFKWRYANP-UHFFFAOYSA-N -1 3 362.324 2.805 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820380712 606355886 /nfs/dbraw/zinc/35/58/86/606355886.db2.gz YZFSPHVKLCVXPH-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820380712 606355888 /nfs/dbraw/zinc/35/58/88/606355888.db2.gz YZFSPHVKLCVXPH-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM Cc1cccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)c1C ZINC000822323879 606369241 /nfs/dbraw/zinc/36/92/41/606369241.db2.gz PYSIAWIXKDLSLL-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM N#Cc1ccccc1N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000822842442 606480972 /nfs/dbraw/zinc/48/09/72/606480972.db2.gz IKVLKCOWWQNFCD-UHFFFAOYSA-N -1 3 363.400 2.958 20 30 FFEDHM N#Cc1ccccc1N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000822842442 606480973 /nfs/dbraw/zinc/48/09/73/606480973.db2.gz IKVLKCOWWQNFCD-UHFFFAOYSA-N -1 3 363.400 2.958 20 30 FFEDHM Cc1nc(NC(=O)c2cc(-c3nnn[n-]3)cs2)sc1SCC#N ZINC000822449454 606495068 /nfs/dbraw/zinc/49/50/68/606495068.db2.gz AHRHFZVPPKQKCY-UHFFFAOYSA-N -1 3 363.453 2.561 20 30 FFEDHM Cc1nc(NC(=O)c2cc(-c3nn[n-]n3)cs2)sc1SCC#N ZINC000822449454 606495069 /nfs/dbraw/zinc/49/50/69/606495069.db2.gz AHRHFZVPPKQKCY-UHFFFAOYSA-N -1 3 363.453 2.561 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(CN=Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819933322 606622986 /nfs/dbraw/zinc/62/29/86/606622986.db2.gz NNQAKCWGAWGKBJ-UHFFFAOYSA-N -1 3 371.445 2.912 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(CN=Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819933322 606622988 /nfs/dbraw/zinc/62/29/88/606622988.db2.gz NNQAKCWGAWGKBJ-UHFFFAOYSA-N -1 3 371.445 2.912 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820015136 606628486 /nfs/dbraw/zinc/62/84/86/606628486.db2.gz AIYHCZWLIHEIRB-OAHLLOKOSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820015136 606628488 /nfs/dbraw/zinc/62/84/88/606628488.db2.gz AIYHCZWLIHEIRB-OAHLLOKOSA-N -1 3 364.862 2.667 20 30 FFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000821412475 606674216 /nfs/dbraw/zinc/67/42/16/606674216.db2.gz MDKUWUSNPDZFRJ-UHFFFAOYSA-N -1 3 370.319 2.668 20 30 FFEDHM C=C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819729151 606766321 /nfs/dbraw/zinc/76/63/21/606766321.db2.gz DLWZKCMFWBQXFA-JTQLQIEISA-N -1 3 355.427 2.610 20 30 FFEDHM C=C[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819729151 606766323 /nfs/dbraw/zinc/76/63/23/606766323.db2.gz DLWZKCMFWBQXFA-JTQLQIEISA-N -1 3 355.427 2.610 20 30 FFEDHM C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819734447 607004135 /nfs/dbraw/zinc/00/41/35/607004135.db2.gz NZHIKTBQHQBPBZ-LBPRGKRZSA-N -1 3 355.398 2.505 20 30 FFEDHM C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819734447 607004136 /nfs/dbraw/zinc/00/41/36/607004136.db2.gz NZHIKTBQHQBPBZ-LBPRGKRZSA-N -1 3 355.398 2.505 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821720472 607150926 /nfs/dbraw/zinc/15/09/26/607150926.db2.gz SGPDJYFYFIDVPM-ONEGZZNKSA-N -1 3 360.370 2.981 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1OC ZINC000821720472 607150928 /nfs/dbraw/zinc/15/09/28/607150928.db2.gz SGPDJYFYFIDVPM-ONEGZZNKSA-N -1 3 360.370 2.981 20 30 FFEDHM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822830137 607201131 /nfs/dbraw/zinc/20/11/31/607201131.db2.gz VQSYKNQYEJPROP-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM N#Cc1ccc(F)c(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822830137 607201132 /nfs/dbraw/zinc/20/11/32/607201132.db2.gz VQSYKNQYEJPROP-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM CN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C#N ZINC000825820831 607786599 /nfs/dbraw/zinc/78/65/99/607786599.db2.gz VTPCYOBURYGYPP-UHFFFAOYSA-N -1 3 364.434 2.635 20 30 FFEDHM CN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C#N ZINC000825820831 607786600 /nfs/dbraw/zinc/78/66/00/607786600.db2.gz VTPCYOBURYGYPP-UHFFFAOYSA-N -1 3 364.434 2.635 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000826402102 607883846 /nfs/dbraw/zinc/88/38/46/607883846.db2.gz MYNLWEIDIMMGRN-JXMROGBWSA-N -1 3 361.405 2.599 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000826402102 607883847 /nfs/dbraw/zinc/88/38/47/607883847.db2.gz MYNLWEIDIMMGRN-JXMROGBWSA-N -1 3 361.405 2.599 20 30 FFEDHM C#CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838294 607939923 /nfs/dbraw/zinc/93/99/23/607939923.db2.gz NXFWUIPTHHYQJY-KSSFIOAISA-N -1 3 360.421 2.992 20 30 FFEDHM C#CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838294 607939924 /nfs/dbraw/zinc/93/99/24/607939924.db2.gz NXFWUIPTHHYQJY-KSSFIOAISA-N -1 3 360.421 2.992 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1-c1nnn[n-]1 ZINC000824329057 607995434 /nfs/dbraw/zinc/99/54/34/607995434.db2.gz GPZHKVFIVIWJFE-UHFFFAOYSA-N -1 3 362.393 2.972 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1-c1nn[n-]n1 ZINC000824329057 607995435 /nfs/dbraw/zinc/99/54/35/607995435.db2.gz GPZHKVFIVIWJFE-UHFFFAOYSA-N -1 3 362.393 2.972 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3c(Cl)cccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386354 608052465 /nfs/dbraw/zinc/05/24/65/608052465.db2.gz APZVDGASIXKCAC-INIZCTEOSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3c(Cl)cccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386354 608052466 /nfs/dbraw/zinc/05/24/66/608052466.db2.gz APZVDGASIXKCAC-INIZCTEOSA-N -1 3 366.812 2.970 20 30 FFEDHM CN(CC#N)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825887266 608060223 /nfs/dbraw/zinc/06/02/23/608060223.db2.gz FFWXSBNXEUFTPK-UHFFFAOYSA-N -1 3 368.784 2.908 20 30 FFEDHM CN(CC#N)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825887266 608060224 /nfs/dbraw/zinc/06/02/24/608060224.db2.gz FFWXSBNXEUFTPK-UHFFFAOYSA-N -1 3 368.784 2.908 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823888721 608084103 /nfs/dbraw/zinc/08/41/03/608084103.db2.gz UWMYUZPDRYVKES-KRWDZBQOSA-N -1 3 353.426 2.535 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823888721 608084104 /nfs/dbraw/zinc/08/41/04/608084104.db2.gz UWMYUZPDRYVKES-KRWDZBQOSA-N -1 3 353.426 2.535 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000826252015 608276016 /nfs/dbraw/zinc/27/60/16/608276016.db2.gz KLLZVJQOKNBZOU-GFCCVEGCSA-N -1 3 353.407 2.776 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000826252015 608276018 /nfs/dbraw/zinc/27/60/18/608276018.db2.gz KLLZVJQOKNBZOU-GFCCVEGCSA-N -1 3 353.407 2.776 20 30 FFEDHM N#Cc1cccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826386544 608440218 /nfs/dbraw/zinc/44/02/18/608440218.db2.gz JHQDOEPYHWHBSS-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1cccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826386544 608440219 /nfs/dbraw/zinc/44/02/19/608440219.db2.gz JHQDOEPYHWHBSS-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000823932434 608440637 /nfs/dbraw/zinc/44/06/37/608440637.db2.gz YJRUATIGHFIDRO-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000823932434 608440639 /nfs/dbraw/zinc/44/06/39/608440639.db2.gz YJRUATIGHFIDRO-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM N#C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2n1 ZINC000826379468 608472625 /nfs/dbraw/zinc/47/26/25/608472625.db2.gz SINWDUCQWMYMAB-HNNXBMFYSA-N -1 3 355.361 2.661 20 30 FFEDHM N#C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2n1 ZINC000826379468 608472627 /nfs/dbraw/zinc/47/26/27/608472627.db2.gz SINWDUCQWMYMAB-HNNXBMFYSA-N -1 3 355.361 2.661 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc(-n3cccn3)cc2)n1 ZINC000826350485 608536530 /nfs/dbraw/zinc/53/65/30/608536530.db2.gz YOHUZTFPNAZWMR-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc(-n3cccn3)cc2)n1 ZINC000826350485 608536531 /nfs/dbraw/zinc/53/65/31/608536531.db2.gz YOHUZTFPNAZWMR-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2occc2Br)n1 ZINC000826350926 608540804 /nfs/dbraw/zinc/54/08/04/608540804.db2.gz QLQRMRQAVOABTO-UHFFFAOYSA-N -1 3 368.582 2.717 20 30 FFEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824390882 608749633 /nfs/dbraw/zinc/74/96/33/608749633.db2.gz FDBOTEVXJGMZNN-LLVKDONJSA-N -1 3 359.434 2.958 20 30 FFEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824390882 608749634 /nfs/dbraw/zinc/74/96/34/608749634.db2.gz FDBOTEVXJGMZNN-LLVKDONJSA-N -1 3 359.434 2.958 20 30 FFEDHM COc1cccc2c1OCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826218164 608877402 /nfs/dbraw/zinc/87/74/02/608877402.db2.gz REUWFGZPTBPQNB-XFFZJAGNSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1cccc2c1OCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826218164 608877405 /nfs/dbraw/zinc/87/74/05/608877405.db2.gz REUWFGZPTBPQNB-XFFZJAGNSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480682 608878454 /nfs/dbraw/zinc/87/84/54/608878454.db2.gz MBLRYWHRRXTGAH-FARCUNLSSA-N -1 3 363.352 2.787 20 30 FFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480682 608878459 /nfs/dbraw/zinc/87/84/59/608878459.db2.gz MBLRYWHRRXTGAH-FARCUNLSSA-N -1 3 363.352 2.787 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C#N)c2n1CCC2 ZINC000826234280 608880027 /nfs/dbraw/zinc/88/00/27/608880027.db2.gz ORKKAELKDBTDGA-FNORWQNLSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C#N)c2n1CCC2 ZINC000826234280 608880028 /nfs/dbraw/zinc/88/00/28/608880028.db2.gz ORKKAELKDBTDGA-FNORWQNLSA-N -1 3 362.368 2.830 20 30 FFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826355788 609270374 /nfs/dbraw/zinc/27/03/74/609270374.db2.gz NGPLUSXPWQSRQW-SNAWJCMRSA-N -1 3 367.171 2.942 20 30 FFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826355788 609270376 /nfs/dbraw/zinc/27/03/76/609270376.db2.gz NGPLUSXPWQSRQW-SNAWJCMRSA-N -1 3 367.171 2.942 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403179 609271130 /nfs/dbraw/zinc/27/11/30/609271130.db2.gz LSHZUCKDSGXZHP-ARJAWSKDSA-N -1 3 366.278 2.661 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403179 609271131 /nfs/dbraw/zinc/27/11/31/609271131.db2.gz LSHZUCKDSGXZHP-ARJAWSKDSA-N -1 3 366.278 2.661 20 30 FFEDHM N#CCCN(Cc1ccc(-c2nnn[n-]2)cc1Br)CC1CC1 ZINC000826381372 609365536 /nfs/dbraw/zinc/36/55/36/609365536.db2.gz JFFKADBTPPWFFX-UHFFFAOYSA-N -1 3 361.247 2.755 20 30 FFEDHM N#CCCN(Cc1ccc(-c2nn[n-]n2)cc1Br)CC1CC1 ZINC000826381372 609365537 /nfs/dbraw/zinc/36/55/37/609365537.db2.gz JFFKADBTPPWFFX-UHFFFAOYSA-N -1 3 361.247 2.755 20 30 FFEDHM C=C(C)CN(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823878263 609370765 /nfs/dbraw/zinc/37/07/65/609370765.db2.gz UJCWVDQRNIRTCT-UHFFFAOYSA-N -1 3 360.487 2.644 20 30 FFEDHM C=C(C)CN(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823878263 609370767 /nfs/dbraw/zinc/37/07/67/609370767.db2.gz UJCWVDQRNIRTCT-UHFFFAOYSA-N -1 3 360.487 2.644 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC(CC#N)CC1 ZINC000824148023 609375014 /nfs/dbraw/zinc/37/50/14/609375014.db2.gz KMKPDCBKONWNSO-UHFFFAOYSA-N -1 3 356.434 2.581 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC(CC#N)CC1 ZINC000824148023 609375016 /nfs/dbraw/zinc/37/50/16/609375016.db2.gz KMKPDCBKONWNSO-UHFFFAOYSA-N -1 3 356.434 2.581 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000825552795 609487731 /nfs/dbraw/zinc/48/77/31/609487731.db2.gz FFQGOWDSJHBVKI-UHFFFAOYSA-N -1 3 363.381 2.919 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000825552795 609487733 /nfs/dbraw/zinc/48/77/33/609487733.db2.gz FFQGOWDSJHBVKI-UHFFFAOYSA-N -1 3 363.381 2.919 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC000823909744 609540030 /nfs/dbraw/zinc/54/00/30/609540030.db2.gz PJNXCNMPKJESIT-MSOLQXFVSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC000823909744 609540031 /nfs/dbraw/zinc/54/00/31/609540031.db2.gz PJNXCNMPKJESIT-MSOLQXFVSA-N -1 3 369.469 2.977 20 30 FFEDHM N#Cc1cccc(OCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826387361 609619196 /nfs/dbraw/zinc/61/91/96/609619196.db2.gz RHMRLFGPFRRZNY-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM N#Cc1cccc(OCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826387361 609619197 /nfs/dbraw/zinc/61/91/97/609619197.db2.gz RHMRLFGPFRRZNY-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2CC)ccc1F ZINC000156162090 728843998 /nfs/dbraw/zinc/84/39/98/728843998.db2.gz QVQLROMLEJMVIB-WFASDCNBSA-N -1 3 354.447 2.599 20 30 FFEDHM CCO[C@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)C12CCCC2 ZINC000743448524 735298083 /nfs/dbraw/zinc/29/80/83/735298083.db2.gz SXEFYXSTRZCQMW-KRWDZBQOSA-N -1 3 350.484 2.874 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1occc1Br ZINC000743449380 735298434 /nfs/dbraw/zinc/29/84/34/735298434.db2.gz UOTVFJOUHKXNKB-UHFFFAOYSA-N -1 3 357.229 2.538 20 30 FFEDHM C#CCSCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000899175711 735456190 /nfs/dbraw/zinc/45/61/90/735456190.db2.gz YVQRKOWYYQJQCY-GFCCVEGCSA-N -1 3 370.396 2.552 20 30 FFEDHM CNS(=O)(=O)Cc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000017701506 727829185 /nfs/dbraw/zinc/82/91/85/727829185.db2.gz GAXIEIRBOOMDIO-VXLYETTFSA-N -1 3 352.843 2.714 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CCc2cc(Cl)c3c(c2)OCCO3)c1[O-] ZINC000027067325 727874106 /nfs/dbraw/zinc/87/41/06/727874106.db2.gz IWDWYUKCVOVBHM-AWQFTUOYSA-N -1 3 362.813 2.674 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2C)ccc1F ZINC000028999158 727889151 /nfs/dbraw/zinc/88/91/51/727889151.db2.gz WOODRNPBLZADEA-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C)C2)ccc1F ZINC000045419210 728002122 /nfs/dbraw/zinc/00/21/22/728002122.db2.gz RHEXNYFAPXSGIK-GXTWGEPZSA-N -1 3 354.447 2.599 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000746495121 735488224 /nfs/dbraw/zinc/48/82/24/735488224.db2.gz YESBFYKXNOUQBW-UHFFFAOYSA-N -1 3 354.435 2.716 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)ccc1F ZINC000074516213 728236962 /nfs/dbraw/zinc/23/69/62/728236962.db2.gz UBGNBMBQMCIWCD-HIFRSBDPSA-N -1 3 368.474 2.941 20 30 FFEDHM C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC000084585155 728423114 /nfs/dbraw/zinc/42/31/14/728423114.db2.gz QWSHSGZOCLCRLI-SSDOTTSWSA-N -1 3 362.333 2.619 20 30 FFEDHM C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC000084585155 728423115 /nfs/dbraw/zinc/42/31/15/728423115.db2.gz QWSHSGZOCLCRLI-SSDOTTSWSA-N -1 3 362.333 2.619 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)nc2)cc1Cl ZINC000115904854 728567712 /nfs/dbraw/zinc/56/77/12/728567712.db2.gz AJKONJDKIJSMCN-ZDUSSCGKSA-N -1 3 354.753 2.576 20 30 FFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000122687525 728650403 /nfs/dbraw/zinc/65/04/03/728650403.db2.gz UOPREDZZHUZFIS-UHFFFAOYSA-N -1 3 354.653 2.966 20 30 FFEDHM N#Cc1ccc(NCCNC(=O)c2ccc([O-])cc2)c(Br)c1 ZINC000134658455 728731893 /nfs/dbraw/zinc/73/18/93/728731893.db2.gz CSNSACYLFLASBY-UHFFFAOYSA-N -1 3 360.211 2.868 20 30 FFEDHM C#C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000167025592 728978260 /nfs/dbraw/zinc/97/82/60/728978260.db2.gz AGDRVUCQJPCZBH-SSDOTTSWSA-N -1 3 367.062 2.512 20 30 FFEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1csc2ccccc12 ZINC000778717150 738407061 /nfs/dbraw/zinc/40/70/61/738407061.db2.gz BZKJPZFQPCIPMR-UHFFFAOYSA-N -1 3 371.443 2.579 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H](C)C2)ccc1F ZINC000186872970 729370065 /nfs/dbraw/zinc/37/00/65/729370065.db2.gz KJJPYGWWCAYOAJ-ZDUSSCGKSA-N -1 3 354.447 2.552 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C3CC3)[nH]n2)cc1Cl ZINC000193478330 729480183 /nfs/dbraw/zinc/48/01/83/729480183.db2.gz XFAGQILOEDRTOW-NSHDSACASA-N -1 3 358.785 2.910 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2C)ccc1F ZINC000195658186 729541023 /nfs/dbraw/zinc/54/10/23/729541023.db2.gz CCHWLHITGGMIRA-UKRRQHHQSA-N -1 3 368.474 2.846 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640297269 730140560 /nfs/dbraw/zinc/14/05/60/730140560.db2.gz BJLIDEFRLVQHRD-ONGXEEELSA-N -1 3 366.771 2.623 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(CC(C)C)CC2)ccc1F ZINC000856191240 730314507 /nfs/dbraw/zinc/31/45/07/730314507.db2.gz WIZHOLNRTMSHEG-UHFFFAOYSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)ccc1F ZINC000863584962 730793355 /nfs/dbraw/zinc/79/33/55/730793355.db2.gz LNORXXBZSULMFM-KSSFIOAISA-N -1 3 366.458 2.695 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)C[C@H](C)CC(F)(F)F)C(=O)OCC ZINC000867588591 731203315 /nfs/dbraw/zinc/20/33/15/731203315.db2.gz FNIKSLKCEUHPTR-PSASIEDQSA-N -1 3 365.801 2.569 20 30 FFEDHM C=C[C@@H](C)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868393212 731288493 /nfs/dbraw/zinc/28/84/93/731288493.db2.gz KYCKKSVNAHBGNA-VXGBXAGGSA-N -1 3 355.360 2.943 20 30 FFEDHM C=CCCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868765210 731328567 /nfs/dbraw/zinc/32/85/67/731328567.db2.gz MNKGWQHOAOKSMT-LBPRGKRZSA-N -1 3 355.360 2.945 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000657148112 731738833 /nfs/dbraw/zinc/73/88/33/731738833.db2.gz RZUIDXKOKOUHTI-UHFFFAOYSA-N -1 3 354.291 2.690 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(Cl)cc2C#N)cc1 ZINC000780491661 738548502 /nfs/dbraw/zinc/54/85/02/738548502.db2.gz JBEXBLWNYNBGKW-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM O=C(Nc1ccc(Br)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878994168 732628416 /nfs/dbraw/zinc/62/84/16/732628416.db2.gz NIULSJXRQSYZCP-SNVBAGLBSA-N -1 3 362.611 2.604 20 30 FFEDHM COC(=O)[C@H](C[C@@H]1CCCO1)/N=C/c1cc(Br)ccc1[O-] ZINC000887272957 733903049 /nfs/dbraw/zinc/90/30/49/733903049.db2.gz ZCEDLOUFZCWNDB-OAMQDSFOSA-N -1 3 356.216 2.684 20 30 FFEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000890561961 734315185 /nfs/dbraw/zinc/31/51/85/734315185.db2.gz NTKSCFVDZWKVPQ-CYBMUJFWSA-N -1 3 354.447 2.693 20 30 FFEDHM C=CC[S@](=O)(=NC([O-])=CS(=O)(=O)CCCCC)c1ccccc1 ZINC000891376546 734421740 /nfs/dbraw/zinc/42/17/40/734421740.db2.gz JMHIKLFFMLNUBB-HSZRJFAPSA-N -1 3 357.497 2.831 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C)c2)ccc1F ZINC000727093046 734465258 /nfs/dbraw/zinc/46/52/58/734465258.db2.gz HRHDQEQDLOYJRP-UHFFFAOYSA-N -1 3 362.426 2.875 20 30 FFEDHM CC(CSC(C)(C)C)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000729639202 734587744 /nfs/dbraw/zinc/58/77/44/734587744.db2.gz ZXMAACMIHQWQIM-UHFFFAOYSA-N -1 3 359.473 2.922 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)cc1 ZINC000730996677 734661952 /nfs/dbraw/zinc/66/19/52/734661952.db2.gz YAZNIBCJNRPRNT-UHFFFAOYSA-N -1 3 361.419 2.525 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2cccc(CS(=O)(=O)C(C)C)c2)c1[O-] ZINC000732714264 734758844 /nfs/dbraw/zinc/75/88/44/734758844.db2.gz VEWBOYXQLQCRIW-UHFFFAOYSA-N -1 3 362.451 2.662 20 30 FFEDHM C#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000733287592 734804178 /nfs/dbraw/zinc/80/41/78/734804178.db2.gz JGDCSSPIWNSFIQ-UHFFFAOYSA-N -1 3 360.410 2.688 20 30 FFEDHM O=C1[C@H](NCc2cc(Cl)ccc2OCc2cccnc2)CCCN1[O-] ZINC000895165365 734970279 /nfs/dbraw/zinc/97/02/79/734970279.db2.gz JPDITQYEEWJDCK-MRXNPFEDSA-N -1 3 361.829 2.784 20 30 FFEDHM C#CCSCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000739987176 735064599 /nfs/dbraw/zinc/06/45/99/735064599.db2.gz GCARHVMWHACWSC-UHFFFAOYSA-N -1 3 368.705 2.747 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(Cl)c1 ZINC000740811522 735089417 /nfs/dbraw/zinc/08/94/17/735089417.db2.gz LXTDDYGMRPQZGH-UHFFFAOYSA-N -1 3 373.825 2.902 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C[C@@H](C)CC)ccc1F ZINC000742720186 735251284 /nfs/dbraw/zinc/25/12/84/735251284.db2.gz RJPDEMUUMNQUFQ-QWHCGFSZSA-N -1 3 356.463 2.845 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2sc(C)nc2C)ccc1F ZINC000751299255 735862008 /nfs/dbraw/zinc/86/20/08/735862008.db2.gz SUCRRTCNBFUVQT-UHFFFAOYSA-N -1 3 369.443 2.616 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C(C[C@H]1CCOC1)c1ccccc1 ZINC000753923036 736106856 /nfs/dbraw/zinc/10/68/56/736106856.db2.gz AXIHLHDHJTUAJF-QGZVFWFLSA-N -1 3 358.463 2.937 20 30 FFEDHM CS(=O)(=O)CC[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000904173448 736230147 /nfs/dbraw/zinc/23/01/47/736230147.db2.gz MRTZUTFMYYZRQK-KRWDZBQOSA-N -1 3 365.426 2.762 20 30 FFEDHM O=C(C[C@@H]1CCCS1(=O)=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178380 736230642 /nfs/dbraw/zinc/23/06/42/736230642.db2.gz HSECPDJQRVICAQ-LBPRGKRZSA-N -1 3 352.239 2.679 20 30 FFEDHM Cn1ccnc1CN1CCC(C(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000904189031 736231915 /nfs/dbraw/zinc/23/19/15/736231915.db2.gz XBBOGXDGLOQZHL-UHFFFAOYSA-N -1 3 362.861 2.704 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCC2CCC(C#N)CC2)ccc1F ZINC000755974780 736294658 /nfs/dbraw/zinc/29/46/58/736294658.db2.gz QROGGQSTPPPIEG-UHFFFAOYSA-N -1 3 354.403 2.684 20 30 FFEDHM COc1ccc(C=NNCCC(=O)OC(C)(C)C)c(Br)c1[O-] ZINC000761010938 736687824 /nfs/dbraw/zinc/68/78/24/736687824.db2.gz FOWMIGNUAFZKAY-UHFFFAOYSA-N -1 3 373.247 2.819 20 30 FFEDHM COc1cc(C=NNC(=S)Nc2ccccc2C)c([N+](=O)[O-])cc1[O-] ZINC000767058604 737288218 /nfs/dbraw/zinc/28/82/18/737288218.db2.gz YCVANJFJILZJTK-UHFFFAOYSA-N -1 3 360.395 2.938 20 30 FFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2csc(C#N)c2)o1 ZINC000914182878 737522429 /nfs/dbraw/zinc/52/24/29/737522429.db2.gz DSNVUUCMFZHKLE-AWEZNQCLSA-N -1 3 354.453 2.582 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc(Br)o1 ZINC000917509375 737761591 /nfs/dbraw/zinc/76/15/91/737761591.db2.gz QZZDZQDJICMBHO-DUMNWFOQSA-N -1 3 360.167 2.798 20 30 FFEDHM COc1cc(C=NNc2nc3ccccc3c(=O)n2C)cc(Cl)c1[O-] ZINC000917595563 737767674 /nfs/dbraw/zinc/76/76/74/737767674.db2.gz YXZIMPYTMRMOQU-UHFFFAOYSA-N -1 3 358.785 2.747 20 30 FFEDHM CCCC[C@H](CC)COC(=O)[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000918493893 737806599 /nfs/dbraw/zinc/80/65/99/737806599.db2.gz JRAHIVGAZMQUKY-KGLIPLIRSA-N -1 3 366.483 2.873 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1csc(Br)c1 ZINC000920382941 737904423 /nfs/dbraw/zinc/90/44/23/737904423.db2.gz CVAXONZNSCCXJV-UHFFFAOYSA-N -1 3 359.270 2.964 20 30 FFEDHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC ZINC000921383780 737974057 /nfs/dbraw/zinc/97/40/57/737974057.db2.gz BWYFXWXHJZDFSZ-INIZCTEOSA-N -1 3 362.451 2.552 20 30 FFEDHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(F)cc1 ZINC000921463069 737988231 /nfs/dbraw/zinc/98/82/31/737988231.db2.gz FKSXUTVHSPOAHD-OAHLLOKOSA-N -1 3 370.446 2.822 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000794587166 739907609 /nfs/dbraw/zinc/90/76/09/739907609.db2.gz GZMZGIPJCKTWRY-UHFFFAOYSA-N -1 3 356.382 2.878 20 30 FFEDHM CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1 ZINC000794943321 739944366 /nfs/dbraw/zinc/94/43/66/739944366.db2.gz XJAMZUIHPDGVRV-FNORWQNLSA-N -1 3 353.346 2.938 20 30 FFEDHM CS(=O)(=O)Nc1cccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794943318 739944504 /nfs/dbraw/zinc/94/45/04/739944504.db2.gz XJAMZUIHPDGVRV-ALCCZGGFSA-N -1 3 353.346 2.938 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(C)C ZINC000798472073 740335798 /nfs/dbraw/zinc/33/57/98/740335798.db2.gz GCDSJQUOAHRXOI-GFCCVEGCSA-N -1 3 364.250 2.716 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cn2cc(Cl)cc(Cl)c2n1 ZINC000799603525 740432395 /nfs/dbraw/zinc/43/23/95/740432395.db2.gz SJPHQZJHCBMHKI-JTQLQIEISA-N -1 3 374.187 2.997 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000806549979 741068797 /nfs/dbraw/zinc/06/87/97/741068797.db2.gz DZQHDHGDBOOUJO-GIXVCVOKSA-N -1 3 354.328 2.759 20 30 FFEDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cc(F)cc(C#N)c2)c1C ZINC000808333656 741214007 /nfs/dbraw/zinc/21/40/07/741214007.db2.gz PMDTZLHNCAHMNI-UHFFFAOYSA-N -1 3 366.370 2.587 20 30 FFEDHM C=CCCCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000810768015 741448516 /nfs/dbraw/zinc/44/85/16/741448516.db2.gz CNSMDDVORJQIPL-UHFFFAOYSA-N -1 3 356.463 2.990 20 30 FFEDHM O=C(COc1ccc(Cl)cc1C1CCCCC1)N[C@H]1CCN([O-])C1=O ZINC000816693480 742053496 /nfs/dbraw/zinc/05/34/96/742053496.db2.gz LPDAGNKXNWMJHR-HNNXBMFYSA-N -1 3 366.845 2.873 20 30 FFEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=C1CCn2cccc21 ZINC000818234172 742252511 /nfs/dbraw/zinc/25/25/11/742252511.db2.gz FUJPMVMJRUFGLS-OAHLLOKOSA-N -1 3 353.407 2.537 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000820156295 742468671 /nfs/dbraw/zinc/46/86/71/742468671.db2.gz GHYHTSWKHAGWHZ-LLVKDONJSA-N -1 3 368.361 2.736 20 30 FFEDHM C[C@H](CC(=O)O[C@@H]1CCC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000820405105 742502627 /nfs/dbraw/zinc/50/26/27/742502627.db2.gz HPGYNKCFKIKBKY-CHWSQXEVSA-N -1 3 364.467 2.626 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccccc2cc1OC(F)F ZINC000820476912 742509857 /nfs/dbraw/zinc/50/98/57/742509857.db2.gz RQUAYCUHFSXJFC-ZDUSSCGKSA-N -1 3 350.321 2.551 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1ccc(C#N)cc1Cl ZINC000822154698 742703276 /nfs/dbraw/zinc/70/32/76/742703276.db2.gz YHIOEEZNPJXYBY-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1ccc(C#N)cc1Cl ZINC000822154698 742703281 /nfs/dbraw/zinc/70/32/81/742703281.db2.gz YHIOEEZNPJXYBY-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM N#Cc1cccnc1N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824541718 743101660 /nfs/dbraw/zinc/10/16/60/743101660.db2.gz HHNYHCDTCRFEHS-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM Clc1cc2c(c(C=NNCc3ccc(-c4nnn[n-]4)cc3)c1)OCC2 ZINC000826350537 743381433 /nfs/dbraw/zinc/38/14/33/743381433.db2.gz AKNZXMJDUWQQPO-UHFFFAOYSA-N -1 3 354.801 2.579 20 30 FFEDHM Clc1cc2c(c(C=NNCc3ccc(-c4nn[n-]n4)cc3)c1)OCC2 ZINC000826350537 743381442 /nfs/dbraw/zinc/38/14/42/743381442.db2.gz AKNZXMJDUWQQPO-UHFFFAOYSA-N -1 3 354.801 2.579 20 30 FFEDHM C=CCn1cc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)nn1 ZINC000830131399 745312643 /nfs/dbraw/zinc/31/26/43/745312643.db2.gz UUDZFPXCOBYJHJ-VIFPVBQESA-N -1 3 359.411 2.709 20 30 FFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000832634238 745730252 /nfs/dbraw/zinc/73/02/52/745730252.db2.gz LPMBEPWOQSLTSD-UHFFFAOYSA-N -1 3 352.225 2.841 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ncc(Cl)s1 ZINC000834565587 745860856 /nfs/dbraw/zinc/86/08/56/745860856.db2.gz QFEDNVMEEBHAHC-UHFFFAOYSA-N -1 3 350.831 2.635 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2ccccc2Br)c1[O-] ZINC000840709078 747164044 /nfs/dbraw/zinc/16/40/44/747164044.db2.gz HFXZWABUYZSQQK-CRIIERLBSA-N -1 3 365.227 2.503 20 30 FFEDHM Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccc2c1=O ZINC000842940166 747726499 /nfs/dbraw/zinc/72/64/99/747726499.db2.gz YDRBIEDMKIWUQI-CYBMUJFWSA-N -1 3 350.403 2.757 20 30 FFEDHM Cc1cc(Br)cc(Cl)c1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135261 748851119 /nfs/dbraw/zinc/85/11/19/748851119.db2.gz LGEMBMQDQUEAOR-SNVBAGLBSA-N -1 3 361.623 2.521 20 30 FFEDHM C[C@H](CC(=O)O[C@@H](C)C1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000851140120 749517266 /nfs/dbraw/zinc/51/72/66/749517266.db2.gz YRSQGIVDVCOOFX-OLZOCXBDSA-N -1 3 364.467 2.626 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C1CCOCC1 ZINC000851828956 749692496 /nfs/dbraw/zinc/69/24/96/749692496.db2.gz GGCQDNSJOKZRGY-OAHLLOKOSA-N -1 3 351.399 2.587 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)CC1 ZINC000908945126 939360284 /nfs/dbraw/zinc/36/02/84/939360284.db2.gz AXYCEZSXPPAISS-GOSISDBHSA-N -1 3 359.470 2.769 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737305340 945035032 /nfs/dbraw/zinc/03/50/32/945035032.db2.gz HIECUTVEWOFUMO-SFHVURJKSA-N -1 3 373.420 2.654 20 30 FFEDHM FC(F)(F)Oc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822718295 946163974 /nfs/dbraw/zinc/16/39/74/946163974.db2.gz GYFMSWIZMHEVRS-UHFFFAOYSA-N -1 3 362.315 2.889 20 30 FFEDHM FC(F)(F)Oc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822718295 946163980 /nfs/dbraw/zinc/16/39/80/946163980.db2.gz GYFMSWIZMHEVRS-UHFFFAOYSA-N -1 3 362.315 2.889 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894908 946505983 /nfs/dbraw/zinc/50/59/83/946505983.db2.gz ZLXYZCHHCNCGCA-OAHLLOKOSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894908 946505990 /nfs/dbraw/zinc/50/59/90/946505990.db2.gz ZLXYZCHHCNCGCA-OAHLLOKOSA-N -1 3 372.473 2.770 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001573279292 946636955 /nfs/dbraw/zinc/63/69/55/946636955.db2.gz FAWAGAHJIKOGRW-HNNXBMFYSA-N -1 3 366.356 2.510 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001573279292 946636965 /nfs/dbraw/zinc/63/69/65/946636965.db2.gz FAWAGAHJIKOGRW-HNNXBMFYSA-N -1 3 366.356 2.510 20 30 FFEDHM C#CCOc1ccc(C(=O)N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573289957 946894173 /nfs/dbraw/zinc/89/41/73/946894173.db2.gz RXQIBGQFQXZQAC-CQSZACIVSA-N -1 3 361.405 2.712 20 30 FFEDHM C#CCOc1ccc(C(=O)N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573289957 946894188 /nfs/dbraw/zinc/89/41/88/946894188.db2.gz RXQIBGQFQXZQAC-CQSZACIVSA-N -1 3 361.405 2.712 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)Nc2cc(C)c(N(C)C)cc2-c2nnn[n-]2)CC1 ZINC001573290561 946907932 /nfs/dbraw/zinc/90/79/32/946907932.db2.gz ZHWRVZPPCDUOIM-HDJSIYSDSA-N -1 3 367.457 2.555 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)Nc2cc(C)c(N(C)C)cc2-c2nn[n-]n2)CC1 ZINC001573290561 946907939 /nfs/dbraw/zinc/90/79/39/946907939.db2.gz ZHWRVZPPCDUOIM-HDJSIYSDSA-N -1 3 367.457 2.555 20 30 FFEDHM C=C(Cl)CNC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573295233 947011336 /nfs/dbraw/zinc/01/13/36/947011336.db2.gz MTAYYFSVCRKBNI-JTQLQIEISA-N -1 3 360.727 2.522 20 30 FFEDHM C=C(Cl)CNC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573295233 947011346 /nfs/dbraw/zinc/01/13/46/947011346.db2.gz MTAYYFSVCRKBNI-JTQLQIEISA-N -1 3 360.727 2.522 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CC1 ZINC001573296354 947043403 /nfs/dbraw/zinc/04/34/03/947043403.db2.gz NMNOIJOVCZISOW-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)CC1 ZINC001573296354 947043412 /nfs/dbraw/zinc/04/34/12/947043412.db2.gz NMNOIJOVCZISOW-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC001573300757 947120301 /nfs/dbraw/zinc/12/03/01/947120301.db2.gz UHHSHZAGFRJSTD-OAHLLOKOSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC001573300757 947120310 /nfs/dbraw/zinc/12/03/10/947120310.db2.gz UHHSHZAGFRJSTD-OAHLLOKOSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573304848 947143199 /nfs/dbraw/zinc/14/31/99/947143199.db2.gz HUOIKNOURUCNBX-KGLIPLIRSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573304848 947143205 /nfs/dbraw/zinc/14/32/05/947143205.db2.gz HUOIKNOURUCNBX-KGLIPLIRSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573304847 947143508 /nfs/dbraw/zinc/14/35/08/947143508.db2.gz HUOIKNOURUCNBX-KBPBESRZSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573304847 947143515 /nfs/dbraw/zinc/14/35/15/947143515.db2.gz HUOIKNOURUCNBX-KBPBESRZSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573316804 947284521 /nfs/dbraw/zinc/28/45/21/947284521.db2.gz ZLWKKGMYRQOKEL-RWMBFGLXSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573316804 947284534 /nfs/dbraw/zinc/28/45/34/947284534.db2.gz ZLWKKGMYRQOKEL-RWMBFGLXSA-N -1 3 358.421 2.667 20 30 FFEDHM C=CCCCC(=O)NC[C@H](CC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573333706 947439467 /nfs/dbraw/zinc/43/94/67/947439467.db2.gz DBTCYUPKFLZOEP-LBPRGKRZSA-N -1 3 363.853 2.578 20 30 FFEDHM C=CCCCC(=O)NC[C@H](CC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573333706 947439472 /nfs/dbraw/zinc/43/94/72/947439472.db2.gz DBTCYUPKFLZOEP-LBPRGKRZSA-N -1 3 363.853 2.578 20 30 FFEDHM COCC#CCSc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000826147692 947473475 /nfs/dbraw/zinc/47/34/75/947473475.db2.gz IDOPLEMPSHPRIA-UHFFFAOYSA-N -1 3 367.434 2.752 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC)CCCC ZINC001573348232 947580957 /nfs/dbraw/zinc/58/09/57/947580957.db2.gz OEJBCDFEUOQEHN-UHFFFAOYSA-N -1 3 352.446 2.938 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC)CCCC ZINC001573348232 947580969 /nfs/dbraw/zinc/58/09/69/947580969.db2.gz OEJBCDFEUOQEHN-UHFFFAOYSA-N -1 3 352.446 2.938 20 30 FFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)COc2c(F)ccc(F)c21 ZINC000826475749 948378152 /nfs/dbraw/zinc/37/81/52/948378152.db2.gz PBMSDTPTDMMKIC-YHYXMXQVSA-N -1 3 358.279 2.943 20 30 FFEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)COc2c(F)ccc(F)c21 ZINC000826475749 948378157 /nfs/dbraw/zinc/37/81/57/948378157.db2.gz PBMSDTPTDMMKIC-YHYXMXQVSA-N -1 3 358.279 2.943 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1sccc1CC#N ZINC001575512763 949142833 /nfs/dbraw/zinc/14/28/33/949142833.db2.gz PJFNRZGRRVUBSO-LLVKDONJSA-N -1 3 352.423 2.827 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1sccc1CC#N ZINC001575512763 949142844 /nfs/dbraw/zinc/14/28/44/949142844.db2.gz PJFNRZGRRVUBSO-LLVKDONJSA-N -1 3 352.423 2.827 20 30 FFEDHM CC(C)(C(=O)Oc1cccc(OCC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788182 949195445 /nfs/dbraw/zinc/19/54/45/949195445.db2.gz HYINAVAAAXYTGI-UHFFFAOYSA-N -1 3 363.377 2.652 20 30 FFEDHM CC(C)(C(=O)Oc1cccc(OCC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788182 949195465 /nfs/dbraw/zinc/19/54/65/949195465.db2.gz HYINAVAAAXYTGI-UHFFFAOYSA-N -1 3 363.377 2.652 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccn3cncc3c2)c(C)c1[O-] ZINC001151903031 1032061970 /nfs/dbraw/zinc/06/19/70/1032061970.db2.gz YBRVWELSEKGYDI-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM C=CCC[C@H](C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000890535954 959152720 /nfs/dbraw/zinc/15/27/20/959152720.db2.gz WWADJKBRKDRDSG-IRXDYDNUSA-N -1 3 352.438 2.627 20 30 FFEDHM C#C[C@@H]1CCCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000890649996 959879448 /nfs/dbraw/zinc/87/94/48/959879448.db2.gz JSALWKXMCMMWPK-CQSZACIVSA-N -1 3 353.378 2.569 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000253544350 1013319770 /nfs/dbraw/zinc/31/97/70/1013319770.db2.gz VDJYJHRTHLGGRS-ZTFGCOKTSA-N -1 3 358.438 2.955 20 30 FFEDHM COc1ccc(-n2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3)n2)cc1 ZINC000121289105 963605067 /nfs/dbraw/zinc/60/50/67/963605067.db2.gz ZFLOPFLMRZQEJY-QGZVFWFLSA-N -1 3 360.373 2.842 20 30 FFEDHM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1nnc2n1CCCCC2 ZINC000255426551 965639387 /nfs/dbraw/zinc/63/93/87/965639387.db2.gz BRSUQHIQHWTWIS-KVPUOBJLSA-N -1 3 358.405 2.837 20 30 FFEDHM N#CCCCN1CC[C@]2(CCCN(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC001270960252 967876395 /nfs/dbraw/zinc/87/63/95/967876395.db2.gz LQLPVPFISHASDC-HXUWFJFHSA-N -1 3 355.438 2.541 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(F)cc1C#N ZINC000728618610 969190497 /nfs/dbraw/zinc/19/04/97/969190497.db2.gz FXJGDQPTWUNFLA-UHFFFAOYSA-N -1 3 353.353 2.963 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1[O-] ZINC000899230213 977028947 /nfs/dbraw/zinc/02/89/47/977028947.db2.gz FPHFMHWIZRCLGL-JURJYWISSA-N -1 3 363.458 2.652 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1[O-] ZINC000899232921 977029440 /nfs/dbraw/zinc/02/94/40/977029440.db2.gz XPXZZXAFEJQTPI-HERPLDCMSA-N -1 3 361.442 2.547 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908885287 981564078 /nfs/dbraw/zinc/56/40/78/981564078.db2.gz WANWMYYPVSMVJZ-NJAFHUGGSA-N -1 3 359.470 2.931 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000909067394 981614528 /nfs/dbraw/zinc/61/45/28/981614528.db2.gz LRWIODKXASUMQS-BPQIPLTHSA-N -1 3 359.470 2.616 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1OC ZINC000911856079 983913232 /nfs/dbraw/zinc/91/32/32/983913232.db2.gz TYHTZCSKRJOGKL-ZKKXHLJNSA-N -1 3 369.421 2.718 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cc2n(n1)CCCO2 ZINC000763932592 983948467 /nfs/dbraw/zinc/94/84/67/983948467.db2.gz SRLGGPFGYCDKSB-HNNXBMFYSA-N -1 3 360.373 2.780 20 30 FFEDHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1cccc(C#N)c1 ZINC000913296132 984234415 /nfs/dbraw/zinc/23/44/15/984234415.db2.gz KPLDHANYZGICRK-NSHDSACASA-N -1 3 350.334 2.725 20 30 FFEDHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000913296132 984234418 /nfs/dbraw/zinc/23/44/18/984234418.db2.gz KPLDHANYZGICRK-NSHDSACASA-N -1 3 350.334 2.725 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000172592223 985605290 /nfs/dbraw/zinc/60/52/90/985605290.db2.gz PJHCIQUAGUOPEY-OAHLLOKOSA-N -1 3 371.462 2.893 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2C)ccc1F ZINC000063961916 986200383 /nfs/dbraw/zinc/20/03/83/986200383.db2.gz LFEIICOREIALBB-UHFFFAOYSA-N -1 3 373.409 2.722 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000913695592 986843370 /nfs/dbraw/zinc/84/33/70/986843370.db2.gz JUQXGMUSLUDPTD-UHFFFAOYSA-N -1 3 358.348 2.730 20 30 FFEDHM C#CCN(CC)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780614170 989283729 /nfs/dbraw/zinc/28/37/29/989283729.db2.gz NXFKVXRZEOBSGY-IBGZPJMESA-N -1 3 350.418 2.735 20 30 FFEDHM COc1cccc([C@@H](CNc2ccc(C(=O)[O-])nc2C#N)N2CCCC2)c1 ZINC001599656576 994590875 /nfs/dbraw/zinc/59/08/75/994590875.db2.gz ADVLHSONWMHQJV-LJQANCHMSA-N -1 3 366.421 2.909 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1nnc2ccccc2n1 ZINC000810530298 994811971 /nfs/dbraw/zinc/81/19/71/994811971.db2.gz ACDSVJRJNZMXGR-SNVBAGLBSA-N -1 3 369.743 2.778 20 30 FFEDHM CCOC(Cc1c(Nc2ccc(OCC#N)cc2)nc[n-]c1=O)OCC ZINC001212606232 994974037 /nfs/dbraw/zinc/97/40/37/994974037.db2.gz TVOJGDAWAGMKIE-UHFFFAOYSA-N -1 3 358.398 2.770 20 30 FFEDHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184918 995050335 /nfs/dbraw/zinc/05/03/35/995050335.db2.gz VSLOBUUQDSHTIA-KBPBESRZSA-N -1 3 352.390 2.995 20 30 FFEDHM COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188000 995051495 /nfs/dbraw/zinc/05/14/95/995051495.db2.gz SIRGKIFIVWDPJL-CYBMUJFWSA-N -1 3 368.389 2.649 20 30 FFEDHM COc1ccc(CN2CCSC[C@@H](C(=O)[O-])C2)cc1OCCCC#N ZINC001599560684 998187004 /nfs/dbraw/zinc/18/70/04/998187004.db2.gz PXNYMGGBWIHKRO-HNNXBMFYSA-N -1 3 364.467 2.627 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000845846174 998666257 /nfs/dbraw/zinc/66/62/57/998666257.db2.gz RQYBPCWWHYFRPO-UKRRQHHQSA-N -1 3 364.367 2.880 20 30 FFEDHM CC(C)CN1N=C(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)CCC1=O ZINC000845841566 998671621 /nfs/dbraw/zinc/67/16/21/998671621.db2.gz BDPMLQXDRFOLBG-INIZCTEOSA-N -1 3 365.433 2.631 20 30 FFEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)n1nnnc1C(C)(C)C ZINC000845847276 998679146 /nfs/dbraw/zinc/67/91/46/998679146.db2.gz ZUINOAQUVBBPAT-UKRRQHHQSA-N -1 3 365.437 2.541 20 30 FFEDHM C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC001085349374 999407627 /nfs/dbraw/zinc/40/76/27/999407627.db2.gz BXTOSPKYUUQJOT-HUUCEWRRSA-N -1 3 360.845 2.719 20 30 FFEDHM O=c1nc(C=N[O-])ccn1CCOc1ccc(Oc2ccccc2)cc1 ZINC000742358197 999769619 /nfs/dbraw/zinc/76/96/19/999769619.db2.gz CNFZTSRUOJQNCL-UHFFFAOYSA-N -1 3 351.362 2.923 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169539356 1000057452 /nfs/dbraw/zinc/05/74/52/1000057452.db2.gz IJTDBNLBFVGKPY-KBXCAEBGSA-N -1 3 364.449 2.608 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109343346 1000290463 /nfs/dbraw/zinc/29/04/63/1000290463.db2.gz VDFIVKDVGLCNCK-IKGGRYGDSA-N -1 3 370.497 2.883 20 30 FFEDHM N=C(Nc1cc(C=N[O-])cc(C(F)(F)F)c1)c1ccc(C(N)=O)cc1 ZINC001171258914 1000497512 /nfs/dbraw/zinc/49/75/12/1000497512.db2.gz PMTMCYQHTKIQGB-GZIVZEMBSA-N -1 3 350.300 2.649 20 30 FFEDHM C#C[C@H](C)N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000769658652 1000570853 /nfs/dbraw/zinc/57/08/53/1000570853.db2.gz ORTPYUZOPGJJNU-HNAYVOBHSA-N -1 3 350.418 2.734 20 30 FFEDHM C[C@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 ZINC001184272338 1002534143 /nfs/dbraw/zinc/53/41/43/1002534143.db2.gz GZKZKHVPHIKGFC-ZDUSSCGKSA-N -1 3 370.380 2.833 20 30 FFEDHM C=C(Br)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001096822779 1016653509 /nfs/dbraw/zinc/65/35/09/1016653509.db2.gz XLZFRUIISWQZMO-BNOWGMLFSA-N -1 3 351.244 2.636 20 30 FFEDHM N#Cc1c(Cl)cc(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)nc1Cl ZINC001184795709 1002720529 /nfs/dbraw/zinc/72/05/29/1002720529.db2.gz BCERJTXJDLLYST-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000791784186 1002816953 /nfs/dbraw/zinc/81/69/53/1002816953.db2.gz QDYISLGOYFEDNE-HNNXBMFYSA-N -1 3 351.362 2.593 20 30 FFEDHM C=CCCc1ccc(C(=O)Nc2cc(F)c([O-])cc2C(=O)OC)c(=O)[nH]1 ZINC001185364586 1002933138 /nfs/dbraw/zinc/93/31/38/1002933138.db2.gz SHZKBTIARHRCHJ-UHFFFAOYSA-N -1 3 360.341 2.789 20 30 FFEDHM O=C(CCCCCCCNC(=O)c1ccccc1[O-])NCCCS ZINC001185936404 1003118736 /nfs/dbraw/zinc/11/87/36/1003118736.db2.gz BTPJINNEARZTGM-UHFFFAOYSA-N -1 3 352.500 2.899 20 30 FFEDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001186116912 1003188604 /nfs/dbraw/zinc/18/86/04/1003188604.db2.gz OQZVPVDEYFXTOS-CQSZACIVSA-N -1 3 371.453 2.769 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(OCC2CC2)cn1 ZINC000793126438 1003278856 /nfs/dbraw/zinc/27/88/56/1003278856.db2.gz SJYVCBFJRHDTFQ-CQSZACIVSA-N -1 3 370.796 2.880 20 30 FFEDHM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186350806 1003285030 /nfs/dbraw/zinc/28/50/30/1003285030.db2.gz MYZKXLLNLWQJLL-NSHDSACASA-N -1 3 366.668 2.714 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)Nc3cccc4c(=O)[nH][n-]c(=O)c34)no2)c1 ZINC001196767300 1003941183 /nfs/dbraw/zinc/94/11/83/1003941183.db2.gz CHTVQCFUJWFBOO-UHFFFAOYSA-N -1 3 373.328 2.820 20 30 FFEDHM Cc1cc(C(=O)N([O-])C(=N)c2ccccc2N)n(Cc2ccccc2F)n1 ZINC001198075176 1004470709 /nfs/dbraw/zinc/47/07/09/1004470709.db2.gz ZTCITGJGNRZCMX-UHFFFAOYSA-N -1 3 367.384 2.818 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc3cnccc3s2)CCCCC1 ZINC001194858903 1004831542 /nfs/dbraw/zinc/83/15/42/1004831542.db2.gz NNMRKQYCBUZTON-UHFFFAOYSA-N -1 3 350.469 2.585 20 30 FFEDHM COCCn1nc(C(=O)[N-]c2c(C#N)ccc(F)c2F)cc1C(F)(F)F ZINC001199151253 1004848875 /nfs/dbraw/zinc/84/88/75/1004848875.db2.gz MKCFJSZFFDLTST-UHFFFAOYSA-N -1 3 374.269 2.950 20 30 FFEDHM N#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC001195499493 1004978973 /nfs/dbraw/zinc/97/89/73/1004978973.db2.gz WFLFRSPYDLYVJS-HOMQSWHASA-N -1 3 361.236 2.949 20 30 FFEDHM N#Cc1cncc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201282888 1005187499 /nfs/dbraw/zinc/18/74/99/1005187499.db2.gz PUQAVYLPIPCBJV-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201898149 1005280617 /nfs/dbraw/zinc/28/06/17/1005280617.db2.gz KXNWHOQOLFRFQN-GOSISDBHSA-N -1 3 359.451 2.877 20 30 FFEDHM C=C[C@H]1C[C@@]1([N-]S(=O)(=O)CCc1cccc2ccccc21)C(=O)OCC ZINC001187660144 1006188941 /nfs/dbraw/zinc/18/89/41/1006188941.db2.gz VRHJRGXVCAXGPX-PXNSSMCTSA-N -1 3 373.474 2.810 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000854700340 1006955601 /nfs/dbraw/zinc/95/56/01/1006955601.db2.gz RTIXQLCJPNJVEF-LJQANCHMSA-N -1 3 371.462 2.870 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cn2)c1 ZINC001190660930 1007722317 /nfs/dbraw/zinc/72/23/17/1007722317.db2.gz JKZFFNKZCOHKON-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001190681116 1007746161 /nfs/dbraw/zinc/74/61/61/1007746161.db2.gz HZDGQCWJJPOFGJ-CQSZACIVSA-N -1 3 350.802 2.796 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CO)c2cccc3ccccc32)c1 ZINC001190681773 1007747248 /nfs/dbraw/zinc/74/72/48/1007747248.db2.gz NGDKGMACYQPYGC-GOSISDBHSA-N -1 3 370.405 2.862 20 30 FFEDHM N#Cc1ccc(CN2CCCN(C(=O)c3ccc(F)c([O-])c3)CC2)cc1 ZINC001136064845 1007816226 /nfs/dbraw/zinc/81/62/26/1007816226.db2.gz ZWGOENMFZFUDGE-UHFFFAOYSA-N -1 3 353.397 2.751 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@](C)(O)c1ccccc1 ZINC000819702549 1008212030 /nfs/dbraw/zinc/21/20/30/1008212030.db2.gz HKIFBKDFYJKDPQ-NRFANRHFSA-N -1 3 367.449 2.574 20 30 FFEDHM C#Cc1cccc(NC(=O)CNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001136326572 1008325394 /nfs/dbraw/zinc/32/53/94/1008325394.db2.gz ICGCRMTVAKCHQP-UHFFFAOYSA-N -1 3 373.206 2.505 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000820476174 1008339360 /nfs/dbraw/zinc/33/93/60/1008339360.db2.gz JDGZDWMFJJAFCY-SFHVURJKSA-N -1 3 363.417 2.800 20 30 FFEDHM C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1c([O-])cccc1F ZINC000886598475 1008762047 /nfs/dbraw/zinc/76/20/47/1008762047.db2.gz BJPIXBRHHNPLQR-GUYCJALGSA-N -1 3 353.397 2.855 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](F)C[C@H](C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001178887637 1009167767 /nfs/dbraw/zinc/16/77/67/1009167767.db2.gz JEAUIHXFICNUBL-QWHCGFSZSA-N -1 3 363.389 2.797 20 30 FFEDHM Cc1cccc([O-])c1C(=O)N1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001274020470 1009274711 /nfs/dbraw/zinc/27/47/11/1009274711.db2.gz BUNYAAXWYOKIIE-FQEVSTJZSA-N -1 3 355.438 2.602 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@]23c2ccccc2N(CC2CC2)C3=O)ccc1[O-] ZINC001179726565 1009426069 /nfs/dbraw/zinc/42/60/69/1009426069.db2.gz JJMXZTWFBZXOCT-VGOFRKELSA-N -1 3 373.412 2.917 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2nc(C(F)(F)F)n3c2CCCC3)c1[O-] ZINC000864348348 1010454008 /nfs/dbraw/zinc/45/40/08/1010454008.db2.gz JQWWRAZTJDHSGN-QPSGOUHRSA-N -1 3 368.359 2.759 20 30 FFEDHM N#CC(=C([O-])c1cnn(CC2CCCC2)c1)c1nnc2n1CCCCC2 ZINC000870162648 1012227850 /nfs/dbraw/zinc/22/78/50/1012227850.db2.gz LVAFJFDWDXWSCC-INIZCTEOSA-N -1 3 352.442 2.881 20 30 FFEDHM N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)c(Cl)c1 ZINC001055284252 1017257056 /nfs/dbraw/zinc/25/70/56/1017257056.db2.gz UPCULFYPGVYICM-WQVCFCJDSA-N -1 3 368.824 2.852 20 30 FFEDHM C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001052785777 1018097587 /nfs/dbraw/zinc/09/75/87/1018097587.db2.gz ZIAYGKSEOPJKAC-TZMCWYRMSA-N -1 3 370.840 2.815 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nccc2c1CCCC2 ZINC000927615813 1018584790 /nfs/dbraw/zinc/58/47/90/1018584790.db2.gz NVPNTWDYFMIWPW-UHFFFAOYSA-N -1 3 364.449 2.799 20 30 FFEDHM COc1cccc(C(=O)NCC(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901368110 1019011127 /nfs/dbraw/zinc/01/11/27/1019011127.db2.gz TYYCAEPGTMRPCS-UHFFFAOYSA-N -1 3 364.401 2.996 20 30 FFEDHM Cn1c2ccccc2n(CC(=O)N([O-])Cc2cccc3ccccc32)c1=O ZINC000901371755 1019012083 /nfs/dbraw/zinc/01/20/83/1019012083.db2.gz WOPAOJFXALGOEE-UHFFFAOYSA-N -1 3 361.401 2.911 20 30 FFEDHM O=C(Cn1ncc2ccccc2c1=O)N([O-])Cc1cccc2ccccc21 ZINC000901371071 1019012990 /nfs/dbraw/zinc/01/29/90/1019012990.db2.gz QSBZWULYLXGXLG-UHFFFAOYSA-N -1 3 359.385 2.968 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(C(C)(C)C)o1 ZINC000113471569 1021902355 /nfs/dbraw/zinc/90/23/55/1021902355.db2.gz ZNYWBCSOCNDNCR-UHFFFAOYSA-N -1 3 357.410 2.825 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cl)nc(N(C)C)c1 ZINC000113653252 1021931181 /nfs/dbraw/zinc/93/11/81/1021931181.db2.gz FJPOTKQBBUEYBH-LBPRGKRZSA-N -1 3 372.812 2.771 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)nc(N(C)C)c2)c1 ZINC000113652388 1021931683 /nfs/dbraw/zinc/93/16/83/1021931683.db2.gz KXCADQSRIBRMOZ-AWEZNQCLSA-N -1 3 372.812 2.771 20 30 FFEDHM Cc1nc(C)c(CC(=O)OCC#Cc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000750881418 1022702121 /nfs/dbraw/zinc/70/21/21/1022702121.db2.gz LIUFOMBMXLICSO-UHFFFAOYSA-N -1 3 364.323 2.955 20 30 FFEDHM C=CC[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC001119580006 1022872080 /nfs/dbraw/zinc/87/20/80/1022872080.db2.gz IMQXAJLWZATFOT-RHSMWYFYSA-N -1 3 370.371 2.587 20 30 FFEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)nn1C ZINC001122415339 1023253609 /nfs/dbraw/zinc/25/36/09/1023253609.db2.gz SBNOELNBHJKYBX-LBPRGKRZSA-N -1 3 374.828 2.914 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3cncn3c2C)n1 ZINC001122414447 1023253777 /nfs/dbraw/zinc/25/37/77/1023253777.db2.gz DYLPWDFAVWWZJJ-CYBMUJFWSA-N -1 3 354.391 2.766 20 30 FFEDHM C=CC1CCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CCCOCC)CC1 ZINC001122607723 1023365143 /nfs/dbraw/zinc/36/51/43/1023365143.db2.gz LWMWDZLPXMFYEP-UHFFFAOYSA-N -1 3 372.473 2.578 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001120605729 1023382998 /nfs/dbraw/zinc/38/29/98/1023382998.db2.gz XCXRCTVQEFXPSZ-BZNIZROVSA-N -1 3 369.874 2.914 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)C2CCCCC2)c(Cl)c1 ZINC001120614898 1023387429 /nfs/dbraw/zinc/38/74/29/1023387429.db2.gz GADMSEOXLGKMSF-OAHLLOKOSA-N -1 3 369.874 2.914 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(OC(C)C)n1 ZINC000754820130 1023522776 /nfs/dbraw/zinc/52/27/76/1023522776.db2.gz WSLWFYOCRRCNMO-CYBMUJFWSA-N -1 3 353.378 2.839 20 30 FFEDHM N#Cc1ccccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000755541678 1023607824 /nfs/dbraw/zinc/60/78/24/1023607824.db2.gz GYYSQYCXDFCIOI-INIZCTEOSA-N -1 3 363.402 2.833 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(O[C@H]3CCOC3)c2)c1 ZINC000755603223 1023613720 /nfs/dbraw/zinc/61/37/20/1023613720.db2.gz SEACQEIFYUBBCK-IRXDYDNUSA-N -1 3 365.389 2.519 20 30 FFEDHM COCCCn1c(=O)c2ccccc2nc1NN=Cc1ccc([O-])c(F)c1 ZINC000755606963 1023614574 /nfs/dbraw/zinc/61/45/74/1023614574.db2.gz WTXNGZYIXHPNKS-UHFFFAOYSA-N -1 3 370.384 2.724 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC([C@H]2CCCCO2)CC1 ZINC001121545227 1023839670 /nfs/dbraw/zinc/83/96/70/1023839670.db2.gz AGAMNQFVTYJDNG-OAHLLOKOSA-N -1 3 359.430 2.610 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000759200746 1024515747 /nfs/dbraw/zinc/51/57/47/1024515747.db2.gz AREILDYYTCCKDL-UHFFFAOYSA-N -1 3 371.462 2.760 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC001159642533 1027454057 /nfs/dbraw/zinc/45/40/57/1027454057.db2.gz YFFBWIBREXFVOP-QKXCFHHRSA-N -1 3 360.410 2.924 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(-c2ccccc2)nc(-c2cccs2)n1 ZINC001160176479 1027623720 /nfs/dbraw/zinc/62/37/20/1027623720.db2.gz UJXMNBIBZULHIB-SJCJKPOMSA-N -1 3 366.446 2.942 20 30 FFEDHM N#Cc1ccc(CSCC(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001153976704 1028093151 /nfs/dbraw/zinc/09/31/51/1028093151.db2.gz UVXVAZKQUKYLEF-UHFFFAOYSA-N -1 3 366.446 2.707 20 30 FFEDHM C=CCOCCCC(=O)Nc1ccc(I)cc1[O-] ZINC001154104833 1028146873 /nfs/dbraw/zinc/14/68/73/1028146873.db2.gz WMWJTGJUQSCRAG-UHFFFAOYSA-N -1 3 361.179 2.918 20 30 FFEDHM COc1ccc2c(c1)[n-]c(C(=O)N[C@@H]1CCc3c1cccc3C#N)cc2=O ZINC001154120448 1028155771 /nfs/dbraw/zinc/15/57/71/1028155771.db2.gz HDSKLXIKQFFPGA-QGZVFWFLSA-N -1 3 359.385 2.826 20 30 FFEDHM N#Cc1cc(NC(=O)c2cn3cc(Br)sc3n2)ccc1[O-] ZINC001154127826 1028158832 /nfs/dbraw/zinc/15/88/32/1028158832.db2.gz RKFLMQQZRORGOF-UHFFFAOYSA-N -1 3 363.196 2.988 20 30 FFEDHM COC(=O)c1cccc2c1n[n-]c2C(=O)Nc1ccc(F)c(CC#N)c1 ZINC001154147240 1028165285 /nfs/dbraw/zinc/16/52/85/1028165285.db2.gz QRSSAFPHFRBLJR-UHFFFAOYSA-N -1 3 352.325 2.807 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3ccc(F)c(CC#N)c3)n[n-]c21 ZINC001154147240 1028165289 /nfs/dbraw/zinc/16/52/89/1028165289.db2.gz QRSSAFPHFRBLJR-UHFFFAOYSA-N -1 3 352.325 2.807 20 30 FFEDHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1n[nH]c3cc(C#N)c(C)cc13)c2=O ZINC001161600950 1028249015 /nfs/dbraw/zinc/24/90/15/1028249015.db2.gz FDNUBAVGUXOYFT-UHFFFAOYSA-N -1 3 373.372 2.845 20 30 FFEDHM Cn1ccc2cc(CNC(=O)c3cc(=O)c4cc(C#N)ccc4[n-]3)ccc21 ZINC001154552297 1028349975 /nfs/dbraw/zinc/34/99/75/1028349975.db2.gz QKSCYWXZKBKADC-UHFFFAOYSA-N -1 3 356.385 2.821 20 30 FFEDHM Cc1cccc2c1[C@H](NC(=O)c1cc(=O)c3cc(C#N)ccc3[n-]1)CCO2 ZINC001154557768 1028354305 /nfs/dbraw/zinc/35/43/05/1028354305.db2.gz PXYPNTXLCJAMCT-MRXNPFEDSA-N -1 3 359.385 2.962 20 30 FFEDHM Cc1ncc(Nc2cnc(Cl)nc2Oc2ccc(C#N)cc2)c(=O)[n-]1 ZINC001162306327 1028497944 /nfs/dbraw/zinc/49/79/44/1028497944.db2.gz XCMUXVOPGCZHAW-GFCCVEGCSA-N -1 3 354.757 2.604 20 30 FFEDHM CN1C(=O)COc2c(C(=O)Nc3ccc([O-])c(C#N)c3)cc(Cl)cc21 ZINC001154914989 1028509653 /nfs/dbraw/zinc/50/96/53/1028509653.db2.gz RLYTXDZXJLAJAT-UHFFFAOYSA-N -1 3 357.753 2.525 20 30 FFEDHM CC(C)n1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ncc1=O ZINC001163771015 1029056605 /nfs/dbraw/zinc/05/66/05/1029056605.db2.gz VWWMSENZFQAEEB-UHFFFAOYSA-N -1 3 356.304 2.971 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cnc2cc(C(F)(F)F)ccn12 ZINC001156587843 1029257295 /nfs/dbraw/zinc/25/72/95/1029257295.db2.gz SQRAFWHTERMHRI-UHFFFAOYSA-N -1 3 363.299 2.792 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)O[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000783371263 1030059092 /nfs/dbraw/zinc/05/90/92/1030059092.db2.gz CYHQGBZPBXQUAR-CQSZACIVSA-N -1 3 352.390 2.997 20 30 FFEDHM COC[C@@]12CCC[C@@H]1CN(c1nc(SC)nc(Cl)c1/C=N/[O-])C2 ZINC001165925944 1030173889 /nfs/dbraw/zinc/17/38/89/1030173889.db2.gz HGKZMKUSNRCIEA-YKNZXSNLSA-N -1 3 356.879 2.913 20 30 FFEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C2CC2)cc1 ZINC000798817288 1031555646 /nfs/dbraw/zinc/55/56/46/1031555646.db2.gz WYXKDUDNLJIYMN-MRXNPFEDSA-N -1 3 365.389 2.820 20 30 FFEDHM COc1ccccc1CO[N-]C(=O)CCCOc1ccc(C#N)cc1OC ZINC000799092348 1031644828 /nfs/dbraw/zinc/64/48/28/1031644828.db2.gz LTDUHLKNWXOUSK-UHFFFAOYSA-N -1 3 370.405 2.982 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C)c(C#N)c2)cc1OC ZINC000799412090 1031764340 /nfs/dbraw/zinc/76/43/40/1031764340.db2.gz OOENIJMHTQPNKE-UHFFFAOYSA-N -1 3 373.434 2.889 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001277097525 1034517379 /nfs/dbraw/zinc/51/73/79/1034517379.db2.gz IXLKSNWXNYKYMB-AWEZNQCLSA-N -1 3 350.409 2.965 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)C2Oc1cccc(/C=N/[O-])c1 ZINC001226110817 1034530781 /nfs/dbraw/zinc/53/07/81/1034530781.db2.gz WAMQZRQSWCRHRQ-CWAIWBLQSA-N -1 3 362.426 2.755 20 30 FFEDHM C[C@H](Oc1nccc(/C=N/[O-])n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001226252958 1034595481 /nfs/dbraw/zinc/59/54/81/1034595481.db2.gz CHKPXHOQBKTQSJ-MKFNJMOCSA-N -1 3 350.419 2.699 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cnn2c1CCC2 ZINC000835063669 1035498820 /nfs/dbraw/zinc/49/88/20/1035498820.db2.gz OQFVOJVTNDITQV-NSHDSACASA-N -1 3 372.812 2.761 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2Oc1cc(C#N)ccc1[O-] ZINC001227344572 1035513429 /nfs/dbraw/zinc/51/34/29/1035513429.db2.gz AIDKLQPPEMSDJP-LPHOPBHVSA-N -1 3 360.410 2.811 20 30 FFEDHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001536623922 1070022154 /nfs/dbraw/zinc/02/21/54/1070022154.db2.gz FQRNOFMCSFLEND-VQIMIIECSA-N -1 3 368.477 2.895 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@H](CC(=O)OC(C)C)C(=O)OC(C)C ZINC001233803871 1036769960 /nfs/dbraw/zinc/76/99/60/1036769960.db2.gz TZIYVRYLSMRSNS-MWJIIQFGSA-N -1 3 367.398 2.544 20 30 FFEDHM Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)ccc1[O-] ZINC001278895254 1038238169 /nfs/dbraw/zinc/23/81/69/1038238169.db2.gz MJZYPXKMMIWDKT-CALCHBBNSA-N -1 3 354.479 2.878 20 30 FFEDHM C#CCNC(=O)[C@@H]1CC12CCN(Cc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001276632238 1038754460 /nfs/dbraw/zinc/75/44/60/1038754460.db2.gz LPBWRDWDBWJKHR-HNNXBMFYSA-N -1 3 366.383 2.763 20 30 FFEDHM CC(C)(C)OC(=O)N1CC(n2cc(Nc3cc(C#N)ccc3[O-])cn2)C1 ZINC001209829800 1039255808 /nfs/dbraw/zinc/25/58/08/1039255808.db2.gz URUMGGSIOBUYSW-UHFFFAOYSA-N -1 3 355.398 2.996 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OC ZINC001260037288 1040368560 /nfs/dbraw/zinc/36/85/60/1040368560.db2.gz PNXYJFFOJRYVLZ-CQSZACIVSA-N -1 3 365.373 2.633 20 30 FFEDHM CCCCCCCNC(=S)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001249638972 1040909220 /nfs/dbraw/zinc/90/92/20/1040909220.db2.gz FTCHWZQZCBHFKQ-UHFFFAOYSA-N -1 3 363.527 2.995 20 30 FFEDHM COc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1Br ZINC001261207989 1041068562 /nfs/dbraw/zinc/06/85/62/1041068562.db2.gz ZYURJERUNPIDAD-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM CC(C)(C)c1ccc([N-]N=C2C(=O)Nc3c2cc([N+](=O)[O-])cc3F)nn1 ZINC001255155617 1041175318 /nfs/dbraw/zinc/17/53/18/1041175318.db2.gz DZCYSDFKIGYBDC-UHFFFAOYSA-N -1 3 358.333 2.590 20 30 FFEDHM N#Cc1cc(Br)ccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001538229725 1070374261 /nfs/dbraw/zinc/37/42/61/1070374261.db2.gz FOTRMXXREKJIAJ-UHFFFAOYSA-N -1 3 358.155 2.951 20 30 FFEDHM COC(=O)c1cc(C)cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC001538635430 1070464909 /nfs/dbraw/zinc/46/49/09/1070464909.db2.gz CACGEAIHJJJZSK-UHFFFAOYSA-N -1 3 367.405 2.942 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC001309619322 1043456754 /nfs/dbraw/zinc/45/67/54/1043456754.db2.gz UYQDSIYRXQEBJY-ZDUSSCGKSA-N -1 3 350.783 2.901 20 30 FFEDHM O=C(Nc1ccc(F)c(C(=O)c2ccccc2)c1)N[C@@H]1CCCN([O-])C1=O ZINC001311119111 1043810318 /nfs/dbraw/zinc/81/03/18/1043810318.db2.gz MVQJADIEAOUFJG-MRXNPFEDSA-N -1 3 371.368 2.558 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1nc(C2CC2)no1 ZINC001318885749 1044924260 /nfs/dbraw/zinc/92/42/60/1044924260.db2.gz BALNXSIIUKLDKD-OAHLLOKOSA-N -1 3 360.439 2.689 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC001319338867 1045115191 /nfs/dbraw/zinc/11/51/91/1045115191.db2.gz OSVNUGVTLAVCOW-KRWDZBQOSA-N -1 3 358.419 2.721 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC ZINC001321048600 1045523091 /nfs/dbraw/zinc/52/30/91/1045523091.db2.gz KSRQBNTXSCJZOX-LLVKDONJSA-N -1 3 352.239 2.780 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(C3CCCC3)o2)ccc1F ZINC001324048942 1045842972 /nfs/dbraw/zinc/84/29/72/1045842972.db2.gz KINYZJKIBPNMPO-UHFFFAOYSA-N -1 3 351.403 2.998 20 30 FFEDHM CC[C@]1(C/N=C2/[N-]S(=O)(=O)c3ccccc32)OCCc2ccccc21 ZINC001324221419 1045924142 /nfs/dbraw/zinc/92/41/42/1045924142.db2.gz NYVLBANUVQHDHJ-LJQANCHMSA-N -1 3 356.447 2.603 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccnn1CC(C)C ZINC001326260051 1046838354 /nfs/dbraw/zinc/83/83/54/1046838354.db2.gz OITASXIBBAJGTI-UHFFFAOYSA-N -1 3 371.466 2.893 20 30 FFEDHM C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)cs1 ZINC001326588088 1046991245 /nfs/dbraw/zinc/99/12/45/1046991245.db2.gz YWOFGNJCZLHXIE-ZETCQYMHSA-N -1 3 361.370 2.962 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001290143016 1047856132 /nfs/dbraw/zinc/85/61/32/1047856132.db2.gz RLASZIDEBVKLHA-QLFBSQMISA-N -1 3 369.469 2.575 20 30 FFEDHM COc1cc([N-]C(=O)c2nnn(C3CC3)c2C(F)(F)F)c(F)cc1C#N ZINC001331462291 1047951033 /nfs/dbraw/zinc/95/10/33/1047951033.db2.gz NEKIXHOVLPNVIJ-UHFFFAOYSA-N -1 3 369.278 2.903 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001339854125 1050270594 /nfs/dbraw/zinc/27/05/94/1050270594.db2.gz JOGJYJZTZFIEIP-GJZGRUSLSA-N -1 3 354.458 2.952 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(CCF)CC1 ZINC001341755813 1050373097 /nfs/dbraw/zinc/37/30/97/1050373097.db2.gz KSVNSDHNPWYABQ-UHFFFAOYSA-N -1 3 353.833 2.869 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(CCF)CC1 ZINC001341755813 1050373107 /nfs/dbraw/zinc/37/31/07/1050373107.db2.gz KSVNSDHNPWYABQ-UHFFFAOYSA-N -1 3 353.833 2.869 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001340570088 1050956939 /nfs/dbraw/zinc/95/69/39/1050956939.db2.gz GDYNCRQEEUBQIN-UHFFFAOYSA-N -1 3 372.473 2.719 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001340594944 1050981003 /nfs/dbraw/zinc/98/10/03/1050981003.db2.gz WHCZUHCUQZQWBL-SECBINFHSA-N -1 3 364.866 2.599 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001340594944 1050981010 /nfs/dbraw/zinc/98/10/10/1050981010.db2.gz WHCZUHCUQZQWBL-SECBINFHSA-N -1 3 364.866 2.599 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cccc2)nc1)c1nc(N)c2ccccc2n1 ZINC001342578281 1051183686 /nfs/dbraw/zinc/18/36/86/1051183686.db2.gz BLDUJBQZFPNSKZ-OAHLLOKOSA-N -1 3 354.373 2.888 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCC3)c2)cc1 ZINC001342585603 1051191928 /nfs/dbraw/zinc/19/19/28/1051191928.db2.gz WSALGAIKCJUJBN-KRWDZBQOSA-N -1 3 365.389 2.983 20 30 FFEDHM N#CC1(CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)CCCCC1 ZINC001306893279 1052213792 /nfs/dbraw/zinc/21/37/92/1052213792.db2.gz SPSFEJBRSWVFCZ-UHFFFAOYSA-N -1 3 369.421 2.755 20 30 FFEDHM O=C(CNC(=O)c1ccc(O)cc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306893769 1052215347 /nfs/dbraw/zinc/21/53/47/1052215347.db2.gz OVECFFUGNZQPKA-UHFFFAOYSA-N -1 3 369.204 2.847 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](Oc2ccccc2)C1 ZINC001343731960 1052394009 /nfs/dbraw/zinc/39/40/09/1052394009.db2.gz HWSYKUVFVTUXNB-OAHLLOKOSA-N -1 3 367.409 2.873 20 30 FFEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001343751827 1052401897 /nfs/dbraw/zinc/40/18/97/1052401897.db2.gz NNXPYAFTQSDTHW-MRXNPFEDSA-N -1 3 364.457 2.624 20 30 FFEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001343751827 1052401901 /nfs/dbraw/zinc/40/19/01/1052401901.db2.gz NNXPYAFTQSDTHW-MRXNPFEDSA-N -1 3 364.457 2.624 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccccc1O ZINC001345975101 1052691612 /nfs/dbraw/zinc/69/16/12/1052691612.db2.gz VZVCCLVVAAMBFX-UHFFFAOYSA-N -1 3 366.425 2.667 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1ccncc1 ZINC001344597749 1052853077 /nfs/dbraw/zinc/85/30/77/1052853077.db2.gz XNNZXPHGKWUIEG-AWEZNQCLSA-N -1 3 357.377 2.646 20 30 FFEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC2(COC2)C1 ZINC001356165532 1055349239 /nfs/dbraw/zinc/34/92/39/1055349239.db2.gz FVZOTBORLHEFPT-UHFFFAOYSA-N -1 3 374.872 2.835 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001338513197 1055583014 /nfs/dbraw/zinc/58/30/14/1055583014.db2.gz RKBJDROLVKYJCR-UHFFFAOYSA-N -1 3 371.462 2.963 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(OCC(C)C)ncn1 ZINC001543959624 1071574417 /nfs/dbraw/zinc/57/44/17/1071574417.db2.gz RWGUTPYLJBIKHD-UHFFFAOYSA-N -1 3 369.425 2.672 20 30 FFEDHM CC1(C)CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)[C@@H]1C#N ZINC001338962713 1055969728 /nfs/dbraw/zinc/96/97/28/1055969728.db2.gz FECDHHYLYZEECW-CQSZACIVSA-N -1 3 369.874 2.866 20 30 FFEDHM CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N(C)[C@H](C)CC#N ZINC001339239890 1056238635 /nfs/dbraw/zinc/23/86/35/1056238635.db2.gz MHVUINOHOIKDQW-CYBMUJFWSA-N -1 3 351.414 2.595 20 30 FFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@]2(C#N)CCSC2)s1 ZINC001442990120 1058173653 /nfs/dbraw/zinc/17/36/53/1058173653.db2.gz YYLWJGGURODJJM-AWEZNQCLSA-N -1 3 354.457 2.619 20 30 FFEDHM CCOc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135538 1059107157 /nfs/dbraw/zinc/10/71/57/1059107157.db2.gz FJKOPAXGBUAYHO-OAHLLOKOSA-N -1 3 370.405 2.988 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001515002634 1059210459 /nfs/dbraw/zinc/21/04/59/1059210459.db2.gz JPYSBQCWWSNZEU-HNNXBMFYSA-N -1 3 372.473 2.719 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)nc2OC)cc1 ZINC001515358387 1059609060 /nfs/dbraw/zinc/60/90/60/1059609060.db2.gz KVLKSEUEMBDTDL-OAHLLOKOSA-N -1 3 354.410 2.732 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCc2ccc(OCC)cc2C1 ZINC001520403484 1059660089 /nfs/dbraw/zinc/66/00/89/1059660089.db2.gz CHQPSBQCZDXJGI-UHFFFAOYSA-N -1 3 367.409 2.786 20 30 FFEDHM COc1ccc(CNC(=O)c2cc([O-])cc(Br)c2)cc1C#N ZINC001455199432 1059726203 /nfs/dbraw/zinc/72/62/03/1059726203.db2.gz IEELJCXBDTYRAT-UHFFFAOYSA-N -1 3 361.195 2.965 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001520596501 1059853954 /nfs/dbraw/zinc/85/39/54/1059853954.db2.gz PAUMAYZAVPNHRP-ZDUSSCGKSA-N -1 3 355.780 2.528 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001520596501 1059853985 /nfs/dbraw/zinc/85/39/85/1059853985.db2.gz PAUMAYZAVPNHRP-ZDUSSCGKSA-N -1 3 355.780 2.528 20 30 FFEDHM C=CCN(Cc1ccccc1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC ZINC001520731037 1060009956 /nfs/dbraw/zinc/00/99/56/1060009956.db2.gz NXQBWGNRLZONRA-UHFFFAOYSA-N -1 3 350.426 2.962 20 30 FFEDHM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458000023 1060488205 /nfs/dbraw/zinc/48/82/05/1060488205.db2.gz AMOGPCFRFGWESH-QKDCVEJESA-N -1 3 356.422 2.717 20 30 FFEDHM CCCCN([O-])C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001458012739 1060491227 /nfs/dbraw/zinc/49/12/27/1060491227.db2.gz WQZXYVRKWCYOCC-UHFFFAOYSA-N -1 3 370.515 2.915 20 30 FFEDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@](F)(C#N)C1 ZINC001521587122 1060994042 /nfs/dbraw/zinc/99/40/42/1060994042.db2.gz FFZBLPUABXTUKI-MRXNPFEDSA-N -1 3 358.402 2.722 20 30 FFEDHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C(C)C ZINC001475200440 1060994708 /nfs/dbraw/zinc/99/47/08/1060994708.db2.gz HIAUBUSPUGTGKT-MRXNPFEDSA-N -1 3 358.454 2.942 20 30 FFEDHM CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC001522048889 1061506522 /nfs/dbraw/zinc/50/65/22/1061506522.db2.gz YXGXDLINIQFMDV-XMSQKQJNSA-N -1 3 368.477 2.943 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC001463811923 1062274751 /nfs/dbraw/zinc/27/47/51/1062274751.db2.gz RWHADZGJOBKUCG-LBPRGKRZSA-N -1 3 364.345 2.940 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC(=O)N2)c1nc(N)c2ccccc2n1 ZINC001524677179 1062947464 /nfs/dbraw/zinc/94/74/64/1062947464.db2.gz APLMDYQUVMBYFD-HNNXBMFYSA-N -1 3 371.400 2.977 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC001575187540 1078114164 /nfs/dbraw/zinc/11/41/64/1078114164.db2.gz CZIDLBSIANRKKO-MRVPVSSYSA-N -1 3 373.829 2.666 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC001575187540 1078114166 /nfs/dbraw/zinc/11/41/66/1078114166.db2.gz CZIDLBSIANRKKO-MRVPVSSYSA-N -1 3 373.829 2.666 20 30 FFEDHM CCCCC[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OC ZINC001475065423 1065691116 /nfs/dbraw/zinc/69/11/16/1065691116.db2.gz NWSPKPVBDTUUSE-KRWDZBQOSA-N -1 3 366.483 2.716 20 30 FFEDHM COc1ccc([C@H](C)CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC001579992987 1078728793 /nfs/dbraw/zinc/72/87/93/1078728793.db2.gz SMOUTMFLRPUIKJ-SNVBAGLBSA-N -1 3 367.438 2.620 20 30 FFEDHM COc1ccc([C@H](C)CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC001579992987 1078728795 /nfs/dbraw/zinc/72/87/95/1078728795.db2.gz SMOUTMFLRPUIKJ-SNVBAGLBSA-N -1 3 367.438 2.620 20 30 FFEDHM N#CC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001581857195 1079009322 /nfs/dbraw/zinc/00/93/22/1079009322.db2.gz SIUHJOFLSQOXGQ-JKSUJKDBSA-N -1 3 350.426 2.560 20 30 FFEDHM N#CCOc1ccccc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001581858609 1079009500 /nfs/dbraw/zinc/00/95/00/1079009500.db2.gz NJBMEPHXQXJHQC-UHFFFAOYSA-N -1 3 360.377 2.899 20 30 FFEDHM N#CCOc1ccccc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001581858609 1079009509 /nfs/dbraw/zinc/00/95/09/1079009509.db2.gz NJBMEPHXQXJHQC-UHFFFAOYSA-N -1 3 360.377 2.899 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2F)cc1-c1nnn[n-]1 ZINC001581873325 1079011330 /nfs/dbraw/zinc/01/13/30/1079011330.db2.gz XZQYKIKPNWNJHM-UHFFFAOYSA-N -1 3 374.282 2.731 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2F)cc1-c1nn[n-]n1 ZINC001581873325 1079011337 /nfs/dbraw/zinc/01/13/37/1079011337.db2.gz XZQYKIKPNWNJHM-UHFFFAOYSA-N -1 3 374.282 2.731 20 30 FFEDHM N#Cc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1Br ZINC001581875072 1079012536 /nfs/dbraw/zinc/01/25/36/1079012536.db2.gz UOWSRZXPMSCABB-UHFFFAOYSA-N -1 3 370.166 2.720 20 30 FFEDHM N#Cc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1Br ZINC001581875072 1079012544 /nfs/dbraw/zinc/01/25/44/1079012544.db2.gz UOWSRZXPMSCABB-UHFFFAOYSA-N -1 3 370.166 2.720 20 30 FFEDHM N#CC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001581857195 1079009330 /nfs/dbraw/zinc/00/93/30/1079009330.db2.gz SIUHJOFLSQOXGQ-JKSUJKDBSA-N -1 3 350.426 2.560 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC001556749781 1075771514 /nfs/dbraw/zinc/77/15/14/1075771514.db2.gz PMIOSFPUHTXBTO-GOEBONIOSA-N -1 3 360.410 2.765 20 30 FFEDHM O=C([C@H]1C[C@@H]1C1CCCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001559033065 1076118380 /nfs/dbraw/zinc/11/83/80/1076118380.db2.gz ULKGNDYYYDGBRS-SJORKVTESA-N -1 3 356.422 2.717 20 30 FFEDHM O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N([O-])Cc1ccc(F)cc1 ZINC001559037441 1076118849 /nfs/dbraw/zinc/11/88/49/1076118849.db2.gz XDONWRLJRMKFRK-UHFFFAOYSA-N -1 3 357.307 2.948 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3cc(Br)ccc3C#N)C2)n1 ZINC001559279372 1076144819 /nfs/dbraw/zinc/14/48/19/1076144819.db2.gz NNWSMMCYEMIZEW-ZDUSSCGKSA-N -1 3 374.242 2.816 20 30 FFEDHM COCCCn1c(=O)[n-]nc1SCC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC001559352599 1076151978 /nfs/dbraw/zinc/15/19/78/1076151978.db2.gz UQRTYAYEKASGGR-GOSISDBHSA-N -1 3 374.466 2.553 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1ccc(F)c(F)c1 ZINC001561430219 1076375671 /nfs/dbraw/zinc/37/56/71/1076375671.db2.gz NNFFBCAKRCKVCV-MRXNPFEDSA-N -1 3 370.352 2.642 20 30 FFEDHM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC001561687510 1076407240 /nfs/dbraw/zinc/40/72/40/1076407240.db2.gz HFSMIDHVXNSJQF-MRXNPFEDSA-N -1 3 366.483 2.572 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573340989 1077675301 /nfs/dbraw/zinc/67/53/01/1077675301.db2.gz DDULZPBKGNHFHE-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573340989 1077675302 /nfs/dbraw/zinc/67/53/02/1077675302.db2.gz DDULZPBKGNHFHE-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM CC(C)(NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C#N)c1 ZINC001573919998 1077847168 /nfs/dbraw/zinc/84/71/68/1077847168.db2.gz LWVKRIYRTZUJDE-UHFFFAOYSA-N -1 3 365.372 2.934 20 30 FFEDHM CC(C)(NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C#N)c1 ZINC001573919998 1077847172 /nfs/dbraw/zinc/84/71/72/1077847172.db2.gz LWVKRIYRTZUJDE-UHFFFAOYSA-N -1 3 365.372 2.934 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2csc(C)c2)ccc1F ZINC001587266649 1079765086 /nfs/dbraw/zinc/76/50/86/1079765086.db2.gz NDESZKMIEZEQQR-UHFFFAOYSA-N -1 3 354.428 2.912 20 30 FFEDHM C#C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC001588329214 1079985961 /nfs/dbraw/zinc/98/59/61/1079985961.db2.gz AQNCLERGNHQREH-MRXNPFEDSA-N -1 3 367.409 2.589 20 30 FFEDHM C#C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001588329214 1079985968 /nfs/dbraw/zinc/98/59/68/1079985968.db2.gz AQNCLERGNHQREH-MRXNPFEDSA-N -1 3 367.409 2.589 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588334024 1079986653 /nfs/dbraw/zinc/98/66/53/1079986653.db2.gz LQTPUCRYZQUTHS-OAHLLOKOSA-N -1 3 364.384 2.762 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588334024 1079986659 /nfs/dbraw/zinc/98/66/59/1079986659.db2.gz LQTPUCRYZQUTHS-OAHLLOKOSA-N -1 3 364.384 2.762 20 30 FFEDHM C#C[C@@H]1CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588332571 1079987253 /nfs/dbraw/zinc/98/72/53/1079987253.db2.gz NEXPKDHZZFGDKP-SECBINFHSA-N -1 3 350.209 2.659 20 30 FFEDHM C#C[C@@H]1CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588332571 1079987261 /nfs/dbraw/zinc/98/72/61/1079987261.db2.gz NEXPKDHZZFGDKP-SECBINFHSA-N -1 3 350.209 2.659 20 30 FFEDHM C#CCCCC(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588341073 1079989854 /nfs/dbraw/zinc/98/98/54/1079989854.db2.gz UZDHZTGTRPRCSW-UONOGXRCSA-N -1 3 370.432 2.506 20 30 FFEDHM C#CCCCC(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588341073 1079989860 /nfs/dbraw/zinc/98/98/60/1079989860.db2.gz UZDHZTGTRPRCSW-UONOGXRCSA-N -1 3 370.432 2.506 20 30 FFEDHM C#CCCCCCCSCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588345659 1079990878 /nfs/dbraw/zinc/99/08/78/1079990878.db2.gz HZUYLCUUQDKCKK-UHFFFAOYSA-N -1 3 357.483 2.800 20 30 FFEDHM C#CCCCCCCSCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588345659 1079990883 /nfs/dbraw/zinc/99/08/83/1079990883.db2.gz HZUYLCUUQDKCKK-UHFFFAOYSA-N -1 3 357.483 2.800 20 30 FFEDHM C#CCN(C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1)C1CC1 ZINC001588347952 1079991571 /nfs/dbraw/zinc/99/15/71/1079991571.db2.gz BWNGNLPAZCDRCT-UHFFFAOYSA-N -1 3 354.414 2.674 20 30 FFEDHM C#CCN(C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1)C1CC1 ZINC001588347952 1079991579 /nfs/dbraw/zinc/99/15/79/1079991579.db2.gz BWNGNLPAZCDRCT-UHFFFAOYSA-N -1 3 354.414 2.674 20 30 FFEDHM C#CCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC001588356808 1079992180 /nfs/dbraw/zinc/99/21/80/1079992180.db2.gz GJHDOEOOVUYYRE-UHFFFAOYSA-N -1 3 350.403 2.949 20 30 FFEDHM C#CCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC001588356808 1079992186 /nfs/dbraw/zinc/99/21/86/1079992186.db2.gz GJHDOEOOVUYYRE-UHFFFAOYSA-N -1 3 350.403 2.949 20 30 FFEDHM C#CCOc1cccc(OC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC001588363134 1079993833 /nfs/dbraw/zinc/99/38/33/1079993833.db2.gz MHQHURILQHINMW-UHFFFAOYSA-N -1 3 360.373 2.516 20 30 FFEDHM C#CCOc1cccc(OC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001588363134 1079993838 /nfs/dbraw/zinc/99/38/38/1079993838.db2.gz MHQHURILQHINMW-UHFFFAOYSA-N -1 3 360.373 2.516 20 30 FFEDHM C#CCn1ccc(CN(CC)c2nc3ccccc3c(C)c2-c2nnn[n-]2)n1 ZINC001588363952 1079994040 /nfs/dbraw/zinc/99/40/40/1079994040.db2.gz KMQLQBWZCQCGJA-UHFFFAOYSA-N -1 3 372.436 2.580 20 30 FFEDHM C#CCn1ccc(CN(CC)c2nc3ccccc3c(C)c2-c2nn[n-]n2)n1 ZINC001588363952 1079994044 /nfs/dbraw/zinc/99/40/44/1079994044.db2.gz KMQLQBWZCQCGJA-UHFFFAOYSA-N -1 3 372.436 2.580 20 30 FFEDHM C#CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588363124 1079994362 /nfs/dbraw/zinc/99/43/62/1079994362.db2.gz LRSHWFUVEOXKJG-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588363124 1079994365 /nfs/dbraw/zinc/99/43/65/1079994365.db2.gz LRSHWFUVEOXKJG-ZDUSSCGKSA-N -1 3 362.393 2.761 20 30 FFEDHM C#Cc1cncc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC001588379660 1079999327 /nfs/dbraw/zinc/99/93/27/1079999327.db2.gz KVUHOGGYMKWJTQ-UHFFFAOYSA-N -1 3 364.434 2.826 20 30 FFEDHM C#Cc1cncc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC001588379660 1079999333 /nfs/dbraw/zinc/99/93/33/1079999333.db2.gz KVUHOGGYMKWJTQ-UHFFFAOYSA-N -1 3 364.434 2.826 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588394520 1080007566 /nfs/dbraw/zinc/00/75/66/1080007566.db2.gz WXMCNPOHOFILKB-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588394520 1080007574 /nfs/dbraw/zinc/00/75/74/1080007574.db2.gz WXMCNPOHOFILKB-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)C[C@@H](Nc1nc(C)c(-c2nnn[n-]2)cc1Cl)C(=O)OCC ZINC001588410644 1080013128 /nfs/dbraw/zinc/01/31/28/1080013128.db2.gz UBISBMPFJUDGJQ-GFCCVEGCSA-N -1 3 350.810 2.533 20 30 FFEDHM C=C(C)C[C@@H](Nc1nc(C)c(-c2nn[n-]n2)cc1Cl)C(=O)OCC ZINC001588410644 1080013135 /nfs/dbraw/zinc/01/31/35/1080013135.db2.gz UBISBMPFJUDGJQ-GFCCVEGCSA-N -1 3 350.810 2.533 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588412008 1080014795 /nfs/dbraw/zinc/01/47/95/1080014795.db2.gz PFAYXAMDSKAQFY-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588412008 1080014800 /nfs/dbraw/zinc/01/48/00/1080014800.db2.gz PFAYXAMDSKAQFY-HNNXBMFYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588411590 1080016087 /nfs/dbraw/zinc/01/60/87/1080016087.db2.gz DYUVOOQPSGMCIP-HOCLYGCPSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588411590 1080016093 /nfs/dbraw/zinc/01/60/93/1080016093.db2.gz DYUVOOQPSGMCIP-HOCLYGCPSA-N -1 3 369.473 2.800 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588412737 1080016419 /nfs/dbraw/zinc/01/64/19/1080016419.db2.gz ZRACDYVGGYQZTF-MRXNPFEDSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588412737 1080016426 /nfs/dbraw/zinc/01/64/26/1080016426.db2.gz ZRACDYVGGYQZTF-MRXNPFEDSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2cncc(-c3nnn[n-]3)c2)n1CC(C)C ZINC001588426527 1080023023 /nfs/dbraw/zinc/02/30/23/1080023023.db2.gz XTJKCXKNFPRGOZ-UHFFFAOYSA-N -1 3 367.461 2.579 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2cncc(-c3nn[n-]n3)c2)n1CC(C)C ZINC001588426527 1080023033 /nfs/dbraw/zinc/02/30/33/1080023033.db2.gz XTJKCXKNFPRGOZ-UHFFFAOYSA-N -1 3 367.461 2.579 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588461313 1080035015 /nfs/dbraw/zinc/03/50/15/1080035015.db2.gz MUYPWAROMFHQHO-QWHCGFSZSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588461313 1080035019 /nfs/dbraw/zinc/03/50/19/1080035019.db2.gz MUYPWAROMFHQHO-QWHCGFSZSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCC(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CC1 ZINC001588461308 1080036174 /nfs/dbraw/zinc/03/61/74/1080036174.db2.gz MQQBXUBKADHWNT-CQSZACIVSA-N -1 3 370.432 2.765 20 30 FFEDHM C=C1CCC(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CC1 ZINC001588461308 1080036181 /nfs/dbraw/zinc/03/61/81/1080036181.db2.gz MQQBXUBKADHWNT-CQSZACIVSA-N -1 3 370.432 2.765 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588475435 1080041717 /nfs/dbraw/zinc/04/17/17/1080041717.db2.gz ODJITCJTNLFRCX-UONOGXRCSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588475435 1080041728 /nfs/dbraw/zinc/04/17/28/1080041728.db2.gz ODJITCJTNLFRCX-UONOGXRCSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588475194 1080043015 /nfs/dbraw/zinc/04/30/15/1080043015.db2.gz KHDLPERMKFQOAM-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588475194 1080043024 /nfs/dbraw/zinc/04/30/24/1080043024.db2.gz KHDLPERMKFQOAM-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001588476791 1080044782 /nfs/dbraw/zinc/04/47/82/1080044782.db2.gz XMWRHASEBSLWSV-CQSZACIVSA-N -1 3 372.448 2.549 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001588476791 1080044789 /nfs/dbraw/zinc/04/47/89/1080044789.db2.gz XMWRHASEBSLWSV-CQSZACIVSA-N -1 3 372.448 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588483274 1080046650 /nfs/dbraw/zinc/04/66/50/1080046650.db2.gz DRRMEJJUYANGMT-GFCCVEGCSA-N -1 3 360.437 2.772 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588483274 1080046660 /nfs/dbraw/zinc/04/66/60/1080046660.db2.gz DRRMEJJUYANGMT-GFCCVEGCSA-N -1 3 360.437 2.772 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588484768 1080048779 /nfs/dbraw/zinc/04/87/79/1080048779.db2.gz MPJNMXQVXBOPLP-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588484768 1080048785 /nfs/dbraw/zinc/04/87/85/1080048785.db2.gz MPJNMXQVXBOPLP-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588484395 1080049206 /nfs/dbraw/zinc/04/92/06/1080049206.db2.gz CABRFZPZELFSHV-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588484395 1080049215 /nfs/dbraw/zinc/04/92/15/1080049215.db2.gz CABRFZPZELFSHV-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001588488929 1080052311 /nfs/dbraw/zinc/05/23/11/1080052311.db2.gz QZRJVSZDKLIOPO-UHFFFAOYSA-N -1 3 350.220 2.571 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001588488929 1080052318 /nfs/dbraw/zinc/05/23/18/1080052318.db2.gz QZRJVSZDKLIOPO-UHFFFAOYSA-N -1 3 350.220 2.571 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588491961 1080053881 /nfs/dbraw/zinc/05/38/81/1080053881.db2.gz MPFWENJUMQLFOO-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588491961 1080053894 /nfs/dbraw/zinc/05/38/94/1080053894.db2.gz MPFWENJUMQLFOO-IBGZPJMESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588518844 1080069932 /nfs/dbraw/zinc/06/99/32/1080069932.db2.gz MDSFQKOYEKBMPP-XJKSGUPXSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588518844 1080069939 /nfs/dbraw/zinc/06/99/39/1080069939.db2.gz MDSFQKOYEKBMPP-XJKSGUPXSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588520958 1080073621 /nfs/dbraw/zinc/07/36/21/1080073621.db2.gz HDMGTLYTFXBNCM-UONOGXRCSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588520958 1080073629 /nfs/dbraw/zinc/07/36/29/1080073629.db2.gz HDMGTLYTFXBNCM-UONOGXRCSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@H](CC)CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001588525528 1080078813 /nfs/dbraw/zinc/07/88/13/1080078813.db2.gz IDWMXMMLDQIPHM-NSHDSACASA-N -1 3 354.370 2.562 20 30 FFEDHM C=C[C@@H](CC)CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001588525528 1080078821 /nfs/dbraw/zinc/07/88/21/1080078821.db2.gz IDWMXMMLDQIPHM-NSHDSACASA-N -1 3 354.370 2.562 20 30 FFEDHM C=CCC(C)(C)CNC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588539153 1080086972 /nfs/dbraw/zinc/08/69/72/1080086972.db2.gz AJYMTOXYQAVBEI-UHFFFAOYSA-N -1 3 360.487 2.990 20 30 FFEDHM C=CCC(C)(C)CNC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588539153 1080086980 /nfs/dbraw/zinc/08/69/80/1080086980.db2.gz AJYMTOXYQAVBEI-UHFFFAOYSA-N -1 3 360.487 2.990 20 30 FFEDHM C=CCC(CC=C)C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588544843 1080089102 /nfs/dbraw/zinc/08/91/02/1080089102.db2.gz WSMFAAJLOSHEAZ-LBPRGKRZSA-N -1 3 358.421 2.691 20 30 FFEDHM C=CCC(CC=C)C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588544843 1080089112 /nfs/dbraw/zinc/08/91/12/1080089112.db2.gz WSMFAAJLOSHEAZ-LBPRGKRZSA-N -1 3 358.421 2.691 20 30 FFEDHM C=CC[C@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccncc1 ZINC001588549720 1080090271 /nfs/dbraw/zinc/09/02/71/1080090271.db2.gz VMJKMSMSVVGTOA-KRWDZBQOSA-N -1 3 361.409 2.604 20 30 FFEDHM C=CC[C@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccncc1 ZINC001588549720 1080090277 /nfs/dbraw/zinc/09/02/77/1080090277.db2.gz VMJKMSMSVVGTOA-KRWDZBQOSA-N -1 3 361.409 2.604 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001588560020 1080096773 /nfs/dbraw/zinc/09/67/73/1080096773.db2.gz NDXRTVPTBMHYTL-ZIAGYGMSSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001588560020 1080096779 /nfs/dbraw/zinc/09/67/79/1080096779.db2.gz NDXRTVPTBMHYTL-ZIAGYGMSSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001588566958 1080101368 /nfs/dbraw/zinc/10/13/68/1080101368.db2.gz PCCRHRDAGBFTBC-SWLSCSKDSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001588566958 1080101371 /nfs/dbraw/zinc/10/13/71/1080101371.db2.gz PCCRHRDAGBFTBC-SWLSCSKDSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001588571092 1080103013 /nfs/dbraw/zinc/10/30/13/1080103013.db2.gz GTZDOVXOJUENFN-MRXNPFEDSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001588571092 1080103018 /nfs/dbraw/zinc/10/30/18/1080103018.db2.gz GTZDOVXOJUENFN-MRXNPFEDSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC[C@@H](C)OC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588578108 1080106180 /nfs/dbraw/zinc/10/61/80/1080106180.db2.gz WFTOUOACIKDHCV-OCCSQVGLSA-N -1 3 359.405 2.730 20 30 FFEDHM C=CCC[C@H](CO)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588578608 1080106470 /nfs/dbraw/zinc/10/64/70/1080106470.db2.gz CAXUSADYPAXTCF-CYBMUJFWSA-N -1 3 363.425 2.715 20 30 FFEDHM C=CCC[C@H](CO)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588578608 1080106476 /nfs/dbraw/zinc/10/64/76/1080106476.db2.gz CAXUSADYPAXTCF-CYBMUJFWSA-N -1 3 363.425 2.715 20 30 FFEDHM C=CCCC(C)(C)NC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588578203 1080106596 /nfs/dbraw/zinc/10/65/96/1080106596.db2.gz YONYNXYTWIMHGN-CQSZACIVSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588593979 1080115502 /nfs/dbraw/zinc/11/55/02/1080115502.db2.gz JMDOOKNLDLGWOQ-ZDUSSCGKSA-N -1 3 351.414 2.527 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588593979 1080115504 /nfs/dbraw/zinc/11/55/04/1080115504.db2.gz JMDOOKNLDLGWOQ-ZDUSSCGKSA-N -1 3 351.414 2.527 20 30 FFEDHM C=CCCCCOC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588596259 1080117001 /nfs/dbraw/zinc/11/70/01/1080117001.db2.gz LADBIJHQXQYTPH-UHFFFAOYSA-N -1 3 352.398 2.874 20 30 FFEDHM C=CCCCCOC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588596259 1080117006 /nfs/dbraw/zinc/11/70/06/1080117006.db2.gz LADBIJHQXQYTPH-UHFFFAOYSA-N -1 3 352.398 2.874 20 30 FFEDHM C=CCN(CCC#N)c1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588632443 1080129884 /nfs/dbraw/zinc/12/98/84/1080129884.db2.gz REGVRMRCVLXYJM-UHFFFAOYSA-N -1 3 351.183 2.674 20 30 FFEDHM C=CCN(CCC#N)c1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588632443 1080129887 /nfs/dbraw/zinc/12/98/87/1080129887.db2.gz REGVRMRCVLXYJM-UHFFFAOYSA-N -1 3 351.183 2.674 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@](C)(C=C)CCOC ZINC001588639611 1080132994 /nfs/dbraw/zinc/13/29/94/1080132994.db2.gz VFKQNXIHEVKAAK-IBGZPJMESA-N -1 3 355.442 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@](C)(C=C)CCOC ZINC001588639611 1080132999 /nfs/dbraw/zinc/13/29/99/1080132999.db2.gz VFKQNXIHEVKAAK-IBGZPJMESA-N -1 3 355.442 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COC1CCC(C)CC1 ZINC001588640285 1080133394 /nfs/dbraw/zinc/13/33/94/1080133394.db2.gz OLXAKHRZSJYALO-UHFFFAOYSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COC1CCC(C)CC1 ZINC001588640285 1080133400 /nfs/dbraw/zinc/13/34/00/1080133400.db2.gz OLXAKHRZSJYALO-UHFFFAOYSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H]1CC1(F)F ZINC001588641280 1080134778 /nfs/dbraw/zinc/13/47/78/1080134778.db2.gz AVQIHWFFLVASJK-CQSZACIVSA-N -1 3 362.384 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H]1CC1(F)F ZINC001588641280 1080134781 /nfs/dbraw/zinc/13/47/81/1080134781.db2.gz AVQIHWFFLVASJK-CQSZACIVSA-N -1 3 362.384 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nc2c(s1)CCC2 ZINC001588647887 1080138414 /nfs/dbraw/zinc/13/84/14/1080138414.db2.gz FTCCEEKQCONEHA-UHFFFAOYSA-N -1 3 366.450 2.640 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nc2c(s1)CCC2 ZINC001588647887 1080138418 /nfs/dbraw/zinc/13/84/18/1080138418.db2.gz FTCCEEKQCONEHA-UHFFFAOYSA-N -1 3 366.450 2.640 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](CC(C)C)C(=O)OCC ZINC001588648899 1080139134 /nfs/dbraw/zinc/13/91/34/1080139134.db2.gz RPPDSVYKUSADLY-QGZVFWFLSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](CC(C)C)C(=O)OCC ZINC001588648899 1080139139 /nfs/dbraw/zinc/13/91/39/1080139139.db2.gz RPPDSVYKUSADLY-QGZVFWFLSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC001588649574 1080140126 /nfs/dbraw/zinc/14/01/26/1080140126.db2.gz SPHXCTKMLCGJDQ-HZPDHXFCSA-N -1 3 355.442 2.585 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC001588649574 1080140128 /nfs/dbraw/zinc/14/01/28/1080140128.db2.gz SPHXCTKMLCGJDQ-HZPDHXFCSA-N -1 3 355.442 2.585 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(CC)oc1=S ZINC001588651977 1080141948 /nfs/dbraw/zinc/14/19/48/1080141948.db2.gz BVJIPSOJMMZDLZ-UHFFFAOYSA-N -1 3 357.443 2.594 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(CC)oc1=S ZINC001588651977 1080141953 /nfs/dbraw/zinc/14/19/53/1080141953.db2.gz BVJIPSOJMMZDLZ-UHFFFAOYSA-N -1 3 357.443 2.594 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(CC2CC2)n1CC ZINC001588652019 1080142218 /nfs/dbraw/zinc/14/22/18/1080142218.db2.gz DSEUWQSOTPVYTQ-UHFFFAOYSA-N -1 3 364.457 2.623 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(CC2CC2)n1CC ZINC001588652019 1080142223 /nfs/dbraw/zinc/14/22/23/1080142223.db2.gz DSEUWQSOTPVYTQ-UHFFFAOYSA-N -1 3 364.457 2.623 20 30 FFEDHM C=CCOc1ccc(CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588688943 1080154340 /nfs/dbraw/zinc/15/43/40/1080154340.db2.gz CYGJTOUFCHPIFH-CQSZACIVSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CCOc1ccc(CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588688943 1080154349 /nfs/dbraw/zinc/15/43/49/1080154349.db2.gz CYGJTOUFCHPIFH-CQSZACIVSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CCSc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cn1 ZINC001588694310 1080159718 /nfs/dbraw/zinc/15/97/18/1080159718.db2.gz HHJYSGFIGKEGJI-UHFFFAOYSA-N -1 3 353.407 2.897 20 30 FFEDHM C=CCSc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cn1 ZINC001588694310 1080159722 /nfs/dbraw/zinc/15/97/22/1080159722.db2.gz HHJYSGFIGKEGJI-UHFFFAOYSA-N -1 3 353.407 2.897 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588718219 1080168378 /nfs/dbraw/zinc/16/83/78/1080168378.db2.gz CAESUQQSCVVJFF-CVEARBPZSA-N -1 3 354.414 2.599 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588718219 1080168382 /nfs/dbraw/zinc/16/83/82/1080168382.db2.gz CAESUQQSCVVJFF-CVEARBPZSA-N -1 3 354.414 2.599 20 30 FFEDHM C=CCCC1(CNC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CCCC1 ZINC001588782160 1080193272 /nfs/dbraw/zinc/19/32/72/1080193272.db2.gz RHSYMAAIQNHXBT-UHFFFAOYSA-N -1 3 351.491 2.703 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cnccc1-c1nnn[n-]1 ZINC001588934388 1080271728 /nfs/dbraw/zinc/27/17/28/1080271728.db2.gz KRPXYWNJVZYGHO-LLVKDONJSA-N -1 3 365.422 2.766 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cnccc1-c1nn[n-]n1 ZINC001588934388 1080271732 /nfs/dbraw/zinc/27/17/32/1080271732.db2.gz KRPXYWNJVZYGHO-LLVKDONJSA-N -1 3 365.422 2.766 20 30 FFEDHM C[C@H](C#N)CN(Cc1cc(-c2nnn[n-]2)ccc1Br)C1CC1 ZINC001588934518 1080271784 /nfs/dbraw/zinc/27/17/84/1080271784.db2.gz OTLBHLZFHXJTDB-SNVBAGLBSA-N -1 3 361.247 2.753 20 30 FFEDHM C[C@H](C#N)CN(Cc1cc(-c2nn[n-]n2)ccc1Br)C1CC1 ZINC001588934518 1080271794 /nfs/dbraw/zinc/27/17/94/1080271794.db2.gz OTLBHLZFHXJTDB-SNVBAGLBSA-N -1 3 361.247 2.753 20 30 FFEDHM CC(C)(C#N)CC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589033382 1080316363 /nfs/dbraw/zinc/31/63/63/1080316363.db2.gz GFEYHKVFGBGZOZ-GFCCVEGCSA-N -1 3 352.320 2.526 20 30 FFEDHM CC(C)(C#N)CC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589033382 1080316371 /nfs/dbraw/zinc/31/63/71/1080316371.db2.gz GFEYHKVFGBGZOZ-GFCCVEGCSA-N -1 3 352.320 2.526 20 30 FFEDHM CC(C)(CCC#N)CNC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001589272828 1080458060 /nfs/dbraw/zinc/45/80/60/1080458060.db2.gz PYRFKRAJIPOJBF-UHFFFAOYSA-N -1 3 355.446 2.731 20 30 FFEDHM CC(C)(CCC#N)CNC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001589272828 1080458067 /nfs/dbraw/zinc/45/80/67/1080458067.db2.gz PYRFKRAJIPOJBF-UHFFFAOYSA-N -1 3 355.446 2.731 20 30 FFEDHM CC(C)C#CC(=O)N[C@@H]1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589386928 1080512212 /nfs/dbraw/zinc/51/22/12/1080512212.db2.gz FQVRCIGBJYWPQG-ZIAGYGMSSA-N -1 3 370.432 2.505 20 30 FFEDHM CC(C)C#CC(=O)N[C@@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589386928 1080512217 /nfs/dbraw/zinc/51/22/17/1080512217.db2.gz FQVRCIGBJYWPQG-ZIAGYGMSSA-N -1 3 370.432 2.505 20 30 FFEDHM C[C@@H](CN(C)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001589837051 1080788620 /nfs/dbraw/zinc/78/86/20/1080788620.db2.gz SWWCTUVZBGNOGC-BBRMVZONSA-N -1 3 354.458 2.690 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](CC#N)c1ccco1 ZINC001589894883 1080841702 /nfs/dbraw/zinc/84/17/02/1080841702.db2.gz NLRCJWWMFFTLFV-LRDDRELGSA-N -1 3 351.366 2.836 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](CC#N)c1ccco1 ZINC001589894883 1080841705 /nfs/dbraw/zinc/84/17/05/1080841705.db2.gz NLRCJWWMFFTLFV-LRDDRELGSA-N -1 3 351.366 2.836 20 30 FFEDHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590033447 1080959057 /nfs/dbraw/zinc/95/90/57/1080959057.db2.gz VKNDPLNJBAXVSO-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590033447 1080959059 /nfs/dbraw/zinc/95/90/59/1080959059.db2.gz VKNDPLNJBAXVSO-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)c(Cl)n1 ZINC001590043555 1080970050 /nfs/dbraw/zinc/97/00/50/1080970050.db2.gz OVGOABJNMXPREW-JTQLQIEISA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)c(Cl)n1 ZINC001590043555 1080970055 /nfs/dbraw/zinc/97/00/55/1080970055.db2.gz OVGOABJNMXPREW-JTQLQIEISA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1cc(C#N)sc1[N+](=O)[O-] ZINC001590047907 1080976780 /nfs/dbraw/zinc/97/67/80/1080976780.db2.gz ZFFPBWOSOGGYDY-SECBINFHSA-N -1 3 355.383 2.905 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1cc(C#N)sc1[N+](=O)[O-] ZINC001590047907 1080976783 /nfs/dbraw/zinc/97/67/83/1080976783.db2.gz ZFFPBWOSOGGYDY-SECBINFHSA-N -1 3 355.383 2.905 20 30 FFEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000279143653 256385984 /nfs/dbraw/zinc/38/59/84/256385984.db2.gz YOEHDBATNUPMQP-AWEZNQCLSA-N -1 3 365.437 2.774 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2c2ccc(C(F)(F)F)cc2C#N)NC(=O)[N-]C1=O ZINC000286384074 257034378 /nfs/dbraw/zinc/03/43/78/257034378.db2.gz NHLCULHFRSVAFR-BLLLJJGKSA-N -1 3 366.343 2.534 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000291277730 257395242 /nfs/dbraw/zinc/39/52/42/257395242.db2.gz RVAGYGXZZZKQMX-IEBWSBKVSA-N -1 3 369.465 2.768 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000329946911 258151423 /nfs/dbraw/zinc/15/14/23/258151423.db2.gz YCMWDUYPDOAQOL-HXUWFJFHSA-N -1 3 357.454 2.628 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1ccc(C(F)(F)F)cn1 ZINC000041553510 506529915 /nfs/dbraw/zinc/52/99/15/506529915.db2.gz UMNNBFYSYGMIPK-NSHDSACASA-N -1 3 361.279 2.921 20 30 FFEDHM Cc1ccccc1C[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000054578100 506579382 /nfs/dbraw/zinc/57/93/82/506579382.db2.gz KCYKILIROXHEFL-CQSZACIVSA-N -1 3 351.450 2.852 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000055554966 506775359 /nfs/dbraw/zinc/77/53/59/506775359.db2.gz ZXFFQSQHYBEYGN-UHFFFAOYSA-N -1 3 352.362 2.681 20 30 FFEDHM C=CCOc1cccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c1 ZINC000056337595 506989731 /nfs/dbraw/zinc/98/97/31/506989731.db2.gz HJXJDBXKVLVYPZ-UHFFFAOYSA-N -1 3 365.389 2.696 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000068167104 507135050 /nfs/dbraw/zinc/13/50/50/507135050.db2.gz DTONXADNPADUOZ-QGZVFWFLSA-N -1 3 369.396 2.575 20 30 FFEDHM C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C#N)cc1 ZINC000052505476 507811255 /nfs/dbraw/zinc/81/12/55/507811255.db2.gz FACGUTNYAZVMLB-KBXCAEBGSA-N -1 3 363.417 2.746 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000092353672 508064438 /nfs/dbraw/zinc/06/44/38/508064438.db2.gz VNRHERMSUVMBNB-UHFFFAOYSA-N -1 3 355.416 2.744 20 30 FFEDHM CC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)Cc2ccccc2C1 ZINC000093938669 508161886 /nfs/dbraw/zinc/16/18/86/508161886.db2.gz ZIPXHLKPJSMYCG-UHFFFAOYSA-N -1 3 371.418 2.550 20 30 FFEDHM O=C(CNC(=O)c1ccccc1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081730922 508207013 /nfs/dbraw/zinc/20/70/13/508207013.db2.gz VSJARSFGKQXKLH-UHFFFAOYSA-N -1 3 357.320 2.768 20 30 FFEDHM O=C(CNC(=O)c1ccccc1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081730922 508207016 /nfs/dbraw/zinc/20/70/16/508207016.db2.gz VSJARSFGKQXKLH-UHFFFAOYSA-N -1 3 357.320 2.768 20 30 FFEDHM O=C(CNC(=O)c1ccccc1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081730922 508207018 /nfs/dbraw/zinc/20/70/18/508207018.db2.gz VSJARSFGKQXKLH-UHFFFAOYSA-N -1 3 357.320 2.768 20 30 FFEDHM COCCOCc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1F ZINC000076822374 508255512 /nfs/dbraw/zinc/25/55/12/508255512.db2.gz SBNQRXGDNKZQGV-MRXNPFEDSA-N -1 3 357.385 2.886 20 30 FFEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000102115920 508268254 /nfs/dbraw/zinc/26/82/54/508268254.db2.gz KDWCHADUKAUUPY-CQSZACIVSA-N -1 3 350.378 2.863 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000106291106 508398830 /nfs/dbraw/zinc/39/88/30/508398830.db2.gz XUOXCIXDLKXRJT-UHFFFAOYSA-N -1 3 353.260 2.925 20 30 FFEDHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156584646 508445099 /nfs/dbraw/zinc/44/50/99/508445099.db2.gz MNAVUADFWOPVBO-JTQLQIEISA-N -1 3 352.362 2.885 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccccc1-n1cccn1 ZINC000156836218 508484482 /nfs/dbraw/zinc/48/44/82/508484482.db2.gz SJWLXEDVOTYANQ-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000127832136 508506869 /nfs/dbraw/zinc/50/68/69/508506869.db2.gz MANCHIPLIPLUMI-DOMZBBRYSA-N -1 3 356.875 2.821 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000127835549 508508137 /nfs/dbraw/zinc/50/81/37/508508137.db2.gz NWSNCVCVPPUKFU-WFASDCNBSA-N -1 3 356.875 2.821 20 30 FFEDHM C=CCOc1ccc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000116617542 508539055 /nfs/dbraw/zinc/53/90/55/508539055.db2.gz PMOXWIIQRGOYRT-UHFFFAOYSA-N -1 3 366.417 2.555 20 30 FFEDHM N#CCc1ccc(NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117112403 508579087 /nfs/dbraw/zinc/57/90/87/508579087.db2.gz YUSDCIKCNBWKQF-UHFFFAOYSA-N -1 3 350.407 2.664 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccs1 ZINC000157580272 508583617 /nfs/dbraw/zinc/58/36/17/508583617.db2.gz PDOXLXJYWURIFC-UHFFFAOYSA-N -1 3 365.436 2.784 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(F)c1 ZINC000157777216 508611067 /nfs/dbraw/zinc/61/10/67/508611067.db2.gz UZHJCKKHNSASDT-UHFFFAOYSA-N -1 3 363.370 2.819 20 30 FFEDHM C=C(C)CN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000158741459 508747089 /nfs/dbraw/zinc/74/70/89/508747089.db2.gz LQWHAVFQBAWXOQ-UHFFFAOYSA-N -1 3 374.528 2.815 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000130471127 508821795 /nfs/dbraw/zinc/82/17/95/508821795.db2.gz FTZKRYJCFTXHSY-CJNGLKHVSA-N -1 3 351.428 2.529 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cs1 ZINC000155134349 508931245 /nfs/dbraw/zinc/93/12/45/508931245.db2.gz LACRKEZVMOBSTG-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM Cc1csc(N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)n1 ZINC000151057052 508947768 /nfs/dbraw/zinc/94/77/68/508947768.db2.gz SSRZMCFHQZRZJZ-UHFFFAOYSA-N -1 3 356.451 2.757 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)c(F)c1 ZINC000151096526 508955729 /nfs/dbraw/zinc/95/57/29/508955729.db2.gz JTIMFDAWAPQHNE-UHFFFAOYSA-N -1 3 359.426 2.645 20 30 FFEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000125340492 508968502 /nfs/dbraw/zinc/96/85/02/508968502.db2.gz PQNIODMZWCOVEF-ZDUSSCGKSA-N -1 3 356.856 2.594 20 30 FFEDHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccccc2C#N)CC1 ZINC000120396422 508987086 /nfs/dbraw/zinc/98/70/86/508987086.db2.gz KJDVBDFYEJJIIA-UHFFFAOYSA-N -1 3 370.478 2.501 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1C1CCOCC1 ZINC000155509925 509016082 /nfs/dbraw/zinc/01/60/82/509016082.db2.gz PDFRACATEOKNHK-HNNXBMFYSA-N -1 3 363.421 2.920 20 30 FFEDHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000125695879 509018074 /nfs/dbraw/zinc/01/80/74/509018074.db2.gz UPLPRMGJEHEXNA-DJEJFTSGSA-N -1 3 374.915 2.570 20 30 FFEDHM CCCOc1ccc(/C=N/[C@H]2CCCN(c3ccn(C)n3)C2=O)c([O-])c1 ZINC000132395558 509026418 /nfs/dbraw/zinc/02/64/18/509026418.db2.gz WIQDOHFLIJWNTG-UOEVCUDDSA-N -1 3 356.426 2.529 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1ncc(-c2ccccc2)o1 ZINC000151574511 509045801 /nfs/dbraw/zinc/04/58/01/509045801.db2.gz OEUZCPPPVXIGJK-GFCCVEGCSA-N -1 3 354.391 2.648 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000156163296 509137707 /nfs/dbraw/zinc/13/77/07/509137707.db2.gz VZFPSPJFNYNDDP-UHFFFAOYSA-N -1 3 374.403 2.555 20 30 FFEDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000191791493 509183016 /nfs/dbraw/zinc/18/30/16/509183016.db2.gz DKYOJVWOBWAGAQ-ZBEGNZNMSA-N -1 3 351.428 2.962 20 30 FFEDHM CC[C@@H]1Oc2cc([C@@H](C)/N=C/c3c([O-])c(C)ncc3CO)ccc2NC1=O ZINC000266774191 509187423 /nfs/dbraw/zinc/18/74/23/509187423.db2.gz YYZDTHHUIXIIBM-WNVWLLTRSA-N -1 3 369.421 2.878 20 30 FFEDHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185667906 509295650 /nfs/dbraw/zinc/29/56/50/509295650.db2.gz RMTJDCOAKWSONB-UHFFFAOYSA-N -1 3 352.847 2.543 20 30 FFEDHM CCSc1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccn1 ZINC000189024988 509374036 /nfs/dbraw/zinc/37/40/36/509374036.db2.gz JHKNPKRDIDHLNN-UHFFFAOYSA-N -1 3 370.478 2.619 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(C#N)CCCC2)c1 ZINC000179481847 509468934 /nfs/dbraw/zinc/46/89/34/509468934.db2.gz HEKMFLGFYQUOOJ-UHFFFAOYSA-N -1 3 354.366 2.507 20 30 FFEDHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccccc1C#N ZINC000183038482 509561745 /nfs/dbraw/zinc/56/17/45/509561745.db2.gz LGFDDXVTSGTBKB-UHFFFAOYSA-N -1 3 352.419 2.531 20 30 FFEDHM Cc1cccc(S(=O)(=O)[N-]c2c[nH]cc(Br)c2=O)c1C#N ZINC000183105319 509599235 /nfs/dbraw/zinc/59/92/35/509599235.db2.gz VGZGJKUVNOSIPZ-UHFFFAOYSA-N -1 3 368.212 2.531 20 30 FFEDHM COc1cccc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1OC ZINC000186369366 509674182 /nfs/dbraw/zinc/67/41/82/509674182.db2.gz DFHCJSZZFWYRDA-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)c(Cl)c1 ZINC000180070780 509737372 /nfs/dbraw/zinc/73/73/72/509737372.db2.gz OOVTVBGOYLBCJJ-GJZGRUSLSA-N -1 3 364.858 2.870 20 30 FFEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C12CCC2 ZINC000183735828 509951618 /nfs/dbraw/zinc/95/16/18/509951618.db2.gz SXZJPTJTZOQKTJ-GJZGRUSLSA-N -1 3 354.859 2.838 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000174316267 510055470 /nfs/dbraw/zinc/05/54/70/510055470.db2.gz BETYOQNYFZZRHS-LLVKDONJSA-N -1 3 373.403 2.994 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)c1 ZINC000184219777 510199893 /nfs/dbraw/zinc/19/98/93/510199893.db2.gz PAIUKKDQMPEILN-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM Cc1cc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1[N+](=O)[O-] ZINC000181294210 510341800 /nfs/dbraw/zinc/34/18/00/510341800.db2.gz NVHHYPNBVQUGFJ-UHFFFAOYSA-N -1 3 369.377 2.756 20 30 FFEDHM C=CCN(CC=C)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)C(C)C ZINC000262957325 510495287 /nfs/dbraw/zinc/49/52/87/510495287.db2.gz IRQQTOZKLCAMIU-JCYILVPMSA-N -1 3 351.491 2.628 20 30 FFEDHM COC(=O)c1cc(C)nc2nc(SCC#Cc3ccccc3)[n-]c(=O)c21 ZINC000187918075 510500708 /nfs/dbraw/zinc/50/07/08/510500708.db2.gz NQEGPULFNGJALP-UHFFFAOYSA-N -1 3 365.414 2.557 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000175247787 510550986 /nfs/dbraw/zinc/55/09/86/510550986.db2.gz YUPKWUDWLNOIJP-UHFFFAOYSA-N -1 3 366.302 2.655 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1F ZINC000178534818 510651032 /nfs/dbraw/zinc/65/10/32/510651032.db2.gz CDVALYBMISLYKW-UHFFFAOYSA-N -1 3 368.817 2.880 20 30 FFEDHM CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331148614 511045745 /nfs/dbraw/zinc/04/57/45/511045745.db2.gz HITVATBKIQFBKN-DTWKUNHWSA-N -1 3 351.398 2.844 20 30 FFEDHM CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331148614 511045749 /nfs/dbraw/zinc/04/57/49/511045749.db2.gz HITVATBKIQFBKN-DTWKUNHWSA-N -1 3 351.398 2.844 20 30 FFEDHM CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331148614 511045753 /nfs/dbraw/zinc/04/57/53/511045753.db2.gz HITVATBKIQFBKN-DTWKUNHWSA-N -1 3 351.398 2.844 20 30 FFEDHM COC(=O)CCCO[N-]C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000288936402 511089970 /nfs/dbraw/zinc/08/99/70/511089970.db2.gz YDZODOKXVRELNT-GFCCVEGCSA-N -1 3 351.428 2.945 20 30 FFEDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000291839046 511359360 /nfs/dbraw/zinc/35/93/60/511359360.db2.gz CISUQLHCDKECTC-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM CSCC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1nnc2ccccn21 ZINC000291855983 511366666 /nfs/dbraw/zinc/36/66/66/511366666.db2.gz ONRVTZQRVGFYFE-VYXQJKENSA-N -1 3 371.466 2.544 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000272228718 511472277 /nfs/dbraw/zinc/47/22/77/511472277.db2.gz WYJBBGQFXIEUIH-HZPDHXFCSA-N -1 3 359.470 2.918 20 30 FFEDHM CC(C)[C@@H](C#N)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272710256 511505737 /nfs/dbraw/zinc/50/57/37/511505737.db2.gz CKBBLKWWJFSBFT-RTBURBONSA-N -1 3 365.433 2.918 20 30 FFEDHM C=CCN1CC[C@@H](Sc2n[n-]c(COc3ccc(Cl)cc3)n2)C1=O ZINC000280909519 511649827 /nfs/dbraw/zinc/64/98/27/511649827.db2.gz FMQMHHWPJGGHDN-CYBMUJFWSA-N -1 3 364.858 2.916 20 30 FFEDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000292797581 511723042 /nfs/dbraw/zinc/72/30/42/511723042.db2.gz LZSPNCGTUONXAA-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000284965957 511948618 /nfs/dbraw/zinc/94/86/18/511948618.db2.gz COJBMUQEJJFOCK-JTQLQIEISA-N -1 3 369.331 2.743 20 30 FFEDHM C[C@]1(CNC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CCCS1 ZINC000329457993 512050678 /nfs/dbraw/zinc/05/06/78/512050678.db2.gz QXLZIOXIXMSVQE-HFBAOOFYSA-N -1 3 354.476 2.683 20 30 FFEDHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NC1(C(F)F)CC1 ZINC000411511341 512669379 /nfs/dbraw/zinc/66/93/79/512669379.db2.gz YPGBEBOXFKSIFN-VIFPVBQESA-N -1 3 372.240 2.598 20 30 FFEDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000376359078 512785012 /nfs/dbraw/zinc/78/50/12/512785012.db2.gz MAOPHLYYKMQIQN-MLGOLLRUSA-N -1 3 365.480 2.574 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c(Cl)c1 ZINC000374457769 512841926 /nfs/dbraw/zinc/84/19/26/512841926.db2.gz WMQBLQLLAPKOED-HNNXBMFYSA-N -1 3 354.859 2.839 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]c2ccccc2Br)cc1C#N ZINC000380495874 512872823 /nfs/dbraw/zinc/87/28/23/512872823.db2.gz CTDDXZKUNVEFSW-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccsc2Br)s1 ZINC000388437959 512896273 /nfs/dbraw/zinc/89/62/73/512896273.db2.gz BOFYJXKOELCHSG-UHFFFAOYSA-N -1 3 363.283 2.922 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)ccc1[O-] ZINC000392318217 512924434 /nfs/dbraw/zinc/92/44/34/512924434.db2.gz LDSKYBKNKOEYRL-UHFFFAOYSA-N -1 3 366.782 2.505 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CCOCC2)[C@H]1C ZINC000374945652 513084482 /nfs/dbraw/zinc/08/44/82/513084482.db2.gz AATQQDMYWCJKJI-OAHLLOKOSA-N -1 3 357.454 2.626 20 30 FFEDHM N#Cc1cccc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000450295169 513127996 /nfs/dbraw/zinc/12/79/96/513127996.db2.gz VQKYYUBOPRKYQK-UHFFFAOYSA-N -1 3 366.377 2.889 20 30 FFEDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433880776 513177247 /nfs/dbraw/zinc/17/72/47/513177247.db2.gz CDUPVUNURYIRLE-ZETCQYMHSA-N -1 3 371.178 2.940 20 30 FFEDHM N#CC1(NC(=O)Cc2ccc([O-])c(F)c2)CCN(Cc2ccccc2)CC1 ZINC000450672144 513298717 /nfs/dbraw/zinc/29/87/17/513298717.db2.gz KGQKQTDQLSJBLD-UHFFFAOYSA-N -1 3 367.424 2.748 20 30 FFEDHM COC(=O)[C@@H](CNc1ncc2c(c1C#N)CCC2)Cc1ccc([O-])c(F)c1 ZINC000425282758 513490119 /nfs/dbraw/zinc/49/01/19/513490119.db2.gz NXJMYIYRFYBHRL-CQSZACIVSA-N -1 3 369.396 2.730 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)ccc1F ZINC000435035262 513493814 /nfs/dbraw/zinc/49/38/14/513493814.db2.gz PICWNXOGMONWCL-UHFFFAOYSA-N -1 3 373.409 2.739 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Br)cn1 ZINC000435419335 513577381 /nfs/dbraw/zinc/57/73/81/513577381.db2.gz VRBDYWABLVJIPC-QMMMGPOBSA-N -1 3 372.269 2.817 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000435427547 513581178 /nfs/dbraw/zinc/58/11/78/513581178.db2.gz NLXYEKIDNKOEQN-UHFFFAOYSA-N -1 3 365.436 2.829 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000435429194 513583079 /nfs/dbraw/zinc/58/30/79/513583079.db2.gz WLGBCQNJLLCPRA-DZGCQCFKSA-N -1 3 370.402 2.706 20 30 FFEDHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000435429294 513583409 /nfs/dbraw/zinc/58/34/09/513583409.db2.gz VOQDFQYFWUJJOH-LLVKDONJSA-N -1 3 366.464 2.546 20 30 FFEDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)n1 ZINC000435433454 513585208 /nfs/dbraw/zinc/58/52/08/513585208.db2.gz SCURTMKNGLUVQO-UHFFFAOYSA-N -1 3 355.510 2.895 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1 ZINC000436166777 513779875 /nfs/dbraw/zinc/77/98/75/513779875.db2.gz DRIAJADASKYATQ-INIZCTEOSA-N -1 3 352.362 2.502 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000416465304 513787833 /nfs/dbraw/zinc/78/78/33/513787833.db2.gz LDGNKHODTBWXMJ-TZMCWYRMSA-N -1 3 361.492 2.747 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1(CO)CCCC1 ZINC000416505582 513807921 /nfs/dbraw/zinc/80/79/21/513807921.db2.gz BLXWNRGFCUCPDM-MRXNPFEDSA-N -1 3 354.447 2.553 20 30 FFEDHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000451583459 513847967 /nfs/dbraw/zinc/84/79/67/513847967.db2.gz YLGZTTSJEQVGDX-OAHLLOKOSA-N -1 3 373.434 2.582 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1F ZINC000443093467 513870076 /nfs/dbraw/zinc/87/00/76/513870076.db2.gz JEOJXNZXUWIMAY-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCC2)c(F)cc1Br ZINC000416670405 513899667 /nfs/dbraw/zinc/89/96/67/513899667.db2.gz LLVKPKZVDVAYML-UHFFFAOYSA-N -1 3 361.236 2.869 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000416676660 513902998 /nfs/dbraw/zinc/90/29/98/513902998.db2.gz YVQKFEJOAXKVEK-UHFFFAOYSA-N -1 3 364.448 2.660 20 30 FFEDHM COc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c([O-])c1 ZINC000436700318 513948080 /nfs/dbraw/zinc/94/80/80/513948080.db2.gz VCSFAOXIQQMJEX-UHFFFAOYSA-N -1 3 367.405 2.787 20 30 FFEDHM COc1cc(C)cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1[O-] ZINC000436745267 513964177 /nfs/dbraw/zinc/96/41/77/513964177.db2.gz BHQFIYWNEHLNLF-UHFFFAOYSA-N -1 3 366.352 2.580 20 30 FFEDHM N#Cc1ncn(-c2ccccc2NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000436793313 513982634 /nfs/dbraw/zinc/98/26/34/513982634.db2.gz KNZYYCXJBJHYEG-UHFFFAOYSA-N -1 3 359.389 2.976 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(CSCCC(=O)OC)c1 ZINC000416937963 514055758 /nfs/dbraw/zinc/05/57/58/514055758.db2.gz KCICHTKAJWWXMI-CQSZACIVSA-N -1 3 356.469 2.527 20 30 FFEDHM CC#CCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436985600 514063798 /nfs/dbraw/zinc/06/37/98/514063798.db2.gz CYILGEZPPXXRFV-LJQANCHMSA-N -1 3 350.418 2.783 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000452027268 514143510 /nfs/dbraw/zinc/14/35/10/514143510.db2.gz DWXGRAMZCLRJPC-JTQLQIEISA-N -1 3 357.781 2.964 20 30 FFEDHM COc1cc(F)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000452088393 514182620 /nfs/dbraw/zinc/18/26/20/514182620.db2.gz OBXKBHOCPFMPSX-SNVBAGLBSA-N -1 3 354.428 2.677 20 30 FFEDHM CCc1cc(=O)[n-]c(CN2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000444774468 514327162 /nfs/dbraw/zinc/32/71/62/514327162.db2.gz WKMQMEZXHDJXEQ-UHFFFAOYSA-N -1 3 357.845 2.592 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000428262804 514435647 /nfs/dbraw/zinc/43/56/47/514435647.db2.gz UQLZTEXRVZNDTA-JTQLQIEISA-N -1 3 371.340 2.891 20 30 FFEDHM CCCc1c([N-]S(=O)(=O)N2CC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000438836801 514451214 /nfs/dbraw/zinc/45/12/14/514451214.db2.gz HHKFPARRWVICKC-AWEZNQCLSA-N -1 3 373.482 2.695 20 30 FFEDHM C=C(C)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000452718766 514473252 /nfs/dbraw/zinc/47/32/52/514473252.db2.gz ACLPKMAYMWLXHR-UHFFFAOYSA-N -1 3 354.453 2.516 20 30 FFEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)cc1 ZINC000421156209 514509439 /nfs/dbraw/zinc/50/94/39/514509439.db2.gz PVQJQTVRZLKRTF-MRXNPFEDSA-N -1 3 369.487 2.797 20 30 FFEDHM COc1cccc2c1C[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000458098003 514566497 /nfs/dbraw/zinc/56/64/97/514566497.db2.gz GDVMWEABHLIGMI-HNNXBMFYSA-N -1 3 365.433 2.501 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)C(C)C ZINC000470818203 514625586 /nfs/dbraw/zinc/62/55/86/514625586.db2.gz VQNHGOWCJNKZJS-IHRRRGAJSA-N -1 3 352.504 2.981 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000508069234 514655182 /nfs/dbraw/zinc/65/51/82/514655182.db2.gz QBYVHPNTCDTXHJ-CYBMUJFWSA-N -1 3 351.255 2.732 20 30 FFEDHM C=C[C@H](CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000461634928 514678308 /nfs/dbraw/zinc/67/83/08/514678308.db2.gz ZBOCUJHSFQIXQA-CYBMUJFWSA-N -1 3 351.406 2.881 20 30 FFEDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3cc(C#N)ccc3Cl)nc2c1 ZINC000475567957 514717990 /nfs/dbraw/zinc/71/79/90/514717990.db2.gz DXSFZSYGUZRDQI-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM C=CCOc1ccc(C(=O)NCCCNC(=O)c2cccc([O-])c2)cc1 ZINC000508392571 514765155 /nfs/dbraw/zinc/76/51/55/514765155.db2.gz WZKZHXDYWOSMMG-UHFFFAOYSA-N -1 3 354.406 2.507 20 30 FFEDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475772187 514801242 /nfs/dbraw/zinc/80/12/42/514801242.db2.gz NTKUYOAROPWXAR-NSHDSACASA-N -1 3 350.827 2.827 20 30 FFEDHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475788091 514810414 /nfs/dbraw/zinc/81/04/14/514810414.db2.gz KXBMSXOHLJTBLF-BETUJISGSA-N -1 3 355.891 2.753 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000480112120 514845945 /nfs/dbraw/zinc/84/59/45/514845945.db2.gz UCJXARIUAWTZRL-OLZOCXBDSA-N -1 3 357.439 2.744 20 30 FFEDHM N#CC[C@H](CC(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000476355884 515016348 /nfs/dbraw/zinc/01/63/48/515016348.db2.gz HVEAYOJACFUGHC-QGZVFWFLSA-N -1 3 365.433 2.716 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000489890525 515017513 /nfs/dbraw/zinc/01/75/13/515017513.db2.gz YYIAGAXTWFUOPF-UHFFFAOYSA-N -1 3 370.453 2.727 20 30 FFEDHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000480733719 515063830 /nfs/dbraw/zinc/06/38/30/515063830.db2.gz PBVMTJMUPLJRBJ-NSHDSACASA-N -1 3 358.847 2.610 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCCC2)CCCC1 ZINC000498902753 515109687 /nfs/dbraw/zinc/10/96/87/515109687.db2.gz XGIVQKLMWKNELZ-MRXNPFEDSA-N -1 3 365.499 2.810 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000503844309 515153428 /nfs/dbraw/zinc/15/34/28/515153428.db2.gz IUKNPVRNUNWITQ-ZYHUDNBSSA-N -1 3 362.373 2.670 20 30 FFEDHM CC[C@](C)([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nccs1 ZINC000481055708 515189169 /nfs/dbraw/zinc/18/91/69/515189169.db2.gz SPZPMQILWXVTIW-HNNXBMFYSA-N -1 3 353.444 2.899 20 30 FFEDHM C=CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000472708568 515371534 /nfs/dbraw/zinc/37/15/34/515371534.db2.gz JFPOCMRAFAKURB-UHFFFAOYSA-N -1 3 363.233 2.992 20 30 FFEDHM Cc1nc(C)c(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000477238100 515379836 /nfs/dbraw/zinc/37/98/36/515379836.db2.gz OCFYAMJOPWVCDL-UHFFFAOYSA-N -1 3 363.339 2.528 20 30 FFEDHM C=CCN(C(=O)c1csc(=O)[n-]1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000473163794 515523180 /nfs/dbraw/zinc/52/31/80/515523180.db2.gz JJHXRKYLRBUZMY-HNNXBMFYSA-N -1 3 360.435 2.651 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C#N)s2)cc1OC ZINC000486685593 515595359 /nfs/dbraw/zinc/59/53/59/515595359.db2.gz QBDXUKDELCXBQW-UHFFFAOYSA-N -1 3 365.436 2.642 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000469008235 515626153 /nfs/dbraw/zinc/62/61/53/515626153.db2.gz QILCUBWVOQNKKF-DGCLKSJQSA-N -1 3 360.863 2.580 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000464187119 515733898 /nfs/dbraw/zinc/73/38/98/515733898.db2.gz QXEXWCJZMSPQHY-UHFFFAOYSA-N -1 3 352.774 2.512 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1c(F)cncc1F ZINC000511024532 515746755 /nfs/dbraw/zinc/74/67/55/515746755.db2.gz BQCQQAQIWOAPQA-QMMMGPOBSA-N -1 3 357.769 2.924 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c(F)cc(F)cc1F ZINC000511102671 515781145 /nfs/dbraw/zinc/78/11/45/515781145.db2.gz WVMYGDBSEVAQJN-UHFFFAOYSA-N -1 3 363.339 2.942 20 30 FFEDHM N#CCCC[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000487594523 515915923 /nfs/dbraw/zinc/91/59/23/515915923.db2.gz MUHSVLMCRUKJBE-GOSISDBHSA-N -1 3 351.406 2.673 20 30 FFEDHM C=CCC1(NC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCCCC1 ZINC000455062068 515930581 /nfs/dbraw/zinc/93/05/81/515930581.db2.gz QYCWGUTUWKBIBW-INIZCTEOSA-N -1 3 370.453 2.838 20 30 FFEDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000474390542 516025814 /nfs/dbraw/zinc/02/58/14/516025814.db2.gz HGFRIKMLKXZQKD-UHFFFAOYSA-N -1 3 360.366 2.931 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2CN2CCCCC2)o1 ZINC000557791842 516441322 /nfs/dbraw/zinc/44/13/22/516441322.db2.gz WGDQWFCJYFXWMA-UHFFFAOYSA-N -1 3 359.451 2.616 20 30 FFEDHM Cc1nsc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C#N ZINC000561308053 516514714 /nfs/dbraw/zinc/51/47/14/516514714.db2.gz JQNISAPCRLOQMH-UHFFFAOYSA-N -1 3 374.850 2.506 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC000551097046 516561161 /nfs/dbraw/zinc/56/11/61/516561161.db2.gz ZITCIYIGDXWTEX-UHFFFAOYSA-N -1 3 372.450 2.557 20 30 FFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)N1CCc2ccccc2C1 ZINC000561476376 516606284 /nfs/dbraw/zinc/60/62/84/516606284.db2.gz CIPNZLFGXKFPPN-GOSISDBHSA-N -1 3 373.478 2.512 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@@H](C#N)C1CCCCC1)c2=O ZINC000540588483 516631752 /nfs/dbraw/zinc/63/17/52/516631752.db2.gz RYRDRNUYXXINTC-INIZCTEOSA-N -1 3 357.385 2.878 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000547951898 516654241 /nfs/dbraw/zinc/65/42/41/516654241.db2.gz PAVWCRPLQKOMGI-JSGCOSHPSA-N -1 3 372.874 2.726 20 30 FFEDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000561562313 516656145 /nfs/dbraw/zinc/65/61/45/516656145.db2.gz NXDJTKALYGCAAP-AWEZNQCLSA-N -1 3 362.426 2.971 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514921758 517124648 /nfs/dbraw/zinc/12/46/48/517124648.db2.gz NVPHJFJSOAZBOM-SECBINFHSA-N -1 3 351.306 2.584 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCSCC(F)(F)F ZINC000537657436 517283492 /nfs/dbraw/zinc/28/34/92/517283492.db2.gz YFSICGCCXGWWLC-UHFFFAOYSA-N -1 3 358.794 2.785 20 30 FFEDHM CCc1nn(Cc2nc(=O)c3c(C)c(C)sc3[n-]2)c(=O)c(C#N)c1CC ZINC000520329264 517346738 /nfs/dbraw/zinc/34/67/38/517346738.db2.gz GMGXUWOUQDGZTJ-UHFFFAOYSA-N -1 3 369.450 2.615 20 30 FFEDHM Cc1cc(=NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[nH]n1[C@H](C)C1CC1 ZINC000542227821 517447961 /nfs/dbraw/zinc/44/79/61/517447961.db2.gz BIOHMIBKAXKIAU-CQSZACIVSA-N -1 3 367.453 2.745 20 30 FFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000559948925 517501570 /nfs/dbraw/zinc/50/15/70/517501570.db2.gz JWWXYJIZOZSFPP-JTQLQIEISA-N -1 3 351.653 2.824 20 30 FFEDHM COc1cc(OC)c2ncc(C#N)c(NCc3cnc(C)[n-]c3=O)c2c1 ZINC000553161550 517551980 /nfs/dbraw/zinc/55/19/80/517551980.db2.gz VGVUYUIHFRPOJQ-UHFFFAOYSA-N -1 3 351.366 2.540 20 30 FFEDHM COc1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)cc(S(C)(=O)=O)c1 ZINC000553258951 517606540 /nfs/dbraw/zinc/60/65/40/517606540.db2.gz PPWBTQZMTYVKKQ-UHFFFAOYSA-N -1 3 366.345 2.501 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3cccc(C#N)c3)n2)cc1 ZINC000546299503 517632165 /nfs/dbraw/zinc/63/21/65/517632165.db2.gz IRXPVZRSZVTQNA-UHFFFAOYSA-N -1 3 354.391 2.571 20 30 FFEDHM COc1ncccc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000546354944 517651659 /nfs/dbraw/zinc/65/16/59/517651659.db2.gz DBWYMCHEPGTADK-UHFFFAOYSA-N -1 3 351.366 2.515 20 30 FFEDHM CCc1cc(C#N)c(NC(=O)c2ccc(N3[N-]C(=O)CCC3=O)cc2)s1 ZINC000521526639 517763738 /nfs/dbraw/zinc/76/37/38/517763738.db2.gz AWPSUIYXWPITHK-UHFFFAOYSA-N -1 3 368.418 2.592 20 30 FFEDHM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000543167410 517942964 /nfs/dbraw/zinc/94/29/64/517942964.db2.gz QUVDMFVMIGLQBM-LBPRGKRZSA-N -1 3 368.842 2.731 20 30 FFEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2nccn21 ZINC000563680960 518064265 /nfs/dbraw/zinc/06/42/65/518064265.db2.gz HVHDJRBYZXLAFS-JOYOIKCWSA-N -1 3 370.356 2.758 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(=O)NC4CC4)cc3)nc1-2 ZINC000535315848 518174425 /nfs/dbraw/zinc/17/44/25/518174425.db2.gz VKFZTCJIPGZWET-OAHLLOKOSA-N -1 3 359.389 2.649 20 30 FFEDHM N#Cc1ccncc1N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000579083613 518512155 /nfs/dbraw/zinc/51/21/55/518512155.db2.gz WGHINFICQRVFRQ-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000573547674 518719560 /nfs/dbraw/zinc/71/95/60/518719560.db2.gz FXVXXIFNXXHSPO-ZIAGYGMSSA-N -1 3 366.439 2.957 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000576856323 518798061 /nfs/dbraw/zinc/79/80/61/518798061.db2.gz DVZYXVVABYMNSB-CYBMUJFWSA-N -1 3 356.856 2.939 20 30 FFEDHM N#Cc1ncccc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000579774627 518842690 /nfs/dbraw/zinc/84/26/90/518842690.db2.gz GGEQKLCFNBHADN-UHFFFAOYSA-N -1 3 371.249 2.650 20 30 FFEDHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589522405 519024487 /nfs/dbraw/zinc/02/44/87/519024487.db2.gz XPPJRTWNIGQNHW-UHFFFAOYSA-N -1 3 366.421 2.796 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc3C2)c1 ZINC000574600313 519234263 /nfs/dbraw/zinc/23/42/63/519234263.db2.gz LVVOTKITQWHSHO-CYBMUJFWSA-N -1 3 366.801 2.633 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000590748503 519347763 /nfs/dbraw/zinc/34/77/63/519347763.db2.gz CJSSMJYCSSUIOH-NSHDSACASA-N -1 3 364.402 2.550 20 30 FFEDHM CC(C)([N-]S(=O)(=O)CC1(C#N)CCC1)c1cc(C(F)(F)F)on1 ZINC000583669749 519367989 /nfs/dbraw/zinc/36/79/89/519367989.db2.gz YPVMRXUTQASPRQ-UHFFFAOYSA-N -1 3 351.350 2.542 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccnc(OC2CCCCC2)c1 ZINC000569534912 519596610 /nfs/dbraw/zinc/59/66/10/519596610.db2.gz FKHBRRJPGINEEH-UHFFFAOYSA-N -1 3 372.450 2.538 20 30 FFEDHM C[C@H]1[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCN1Cc1ccccc1 ZINC000581271528 519608385 /nfs/dbraw/zinc/60/83/85/519608385.db2.gz CZXRADQYMANYFU-KSSFIOAISA-N -1 3 373.453 2.639 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000612566561 520024814 /nfs/dbraw/zinc/02/48/14/520024814.db2.gz CITHNMXQORDPMN-LJQANCHMSA-N -1 3 368.393 2.707 20 30 FFEDHM C[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@@H](C)N1CC#N ZINC000603093923 520073894 /nfs/dbraw/zinc/07/38/94/520073894.db2.gz UWYWVRXABIYUGR-HZPDHXFCSA-N -1 3 351.450 2.923 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)[C@@H]1CCOC1 ZINC000594756907 520136872 /nfs/dbraw/zinc/13/68/72/520136872.db2.gz DIJHAEJHWUYLLP-WCQYABFASA-N -1 3 350.465 2.785 20 30 FFEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)o1 ZINC000594760586 520141292 /nfs/dbraw/zinc/14/12/92/520141292.db2.gz RGGVPWOADXAQBE-VIFPVBQESA-N -1 3 362.436 2.812 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)Cc1cnn(C)c1 ZINC000594778981 520151995 /nfs/dbraw/zinc/15/19/95/520151995.db2.gz FSTDIMMRFDFEKR-NSHDSACASA-N -1 3 374.491 2.724 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C)O1 ZINC000594785607 520156303 /nfs/dbraw/zinc/15/63/03/520156303.db2.gz SIGAYEDZIVTHSZ-MFKMUULPSA-N -1 3 350.465 2.927 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@H](O)C1CCC1 ZINC000594782960 520156312 /nfs/dbraw/zinc/15/63/12/520156312.db2.gz VAEVTRDQUPVAGG-CQSZACIVSA-N -1 3 350.465 2.521 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594816411 520172319 /nfs/dbraw/zinc/17/23/19/520172319.db2.gz CQOHNDVFYWGSCJ-UHFFFAOYSA-N -1 3 367.452 2.731 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000594852958 520189534 /nfs/dbraw/zinc/18/95/34/520189534.db2.gz QJLZQRBGIWRBNY-WMZOPIPTSA-N -1 3 374.437 2.689 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1(F)F ZINC000594859381 520194090 /nfs/dbraw/zinc/19/40/90/520194090.db2.gz ZUXJSEJNRJLYQL-NSHDSACASA-N -1 3 365.199 2.644 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000594868368 520199084 /nfs/dbraw/zinc/19/90/84/520199084.db2.gz GBPULROWYBERFX-UHFFFAOYSA-N -1 3 358.391 2.910 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OCC)C1 ZINC000595124741 520307802 /nfs/dbraw/zinc/30/78/02/520307802.db2.gz UNWZQYIHTPCURO-ZDUSSCGKSA-N -1 3 364.467 2.986 20 30 FFEDHM C[C@@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000609492055 520331696 /nfs/dbraw/zinc/33/16/96/520331696.db2.gz URSZJLAPGNDOGP-LBPRGKRZSA-N -1 3 361.398 2.516 20 30 FFEDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000595352328 520423509 /nfs/dbraw/zinc/42/35/09/520423509.db2.gz CIRVCBDDUBQXIQ-MSOLQXFVSA-N -1 3 362.426 2.734 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000595377748 520437589 /nfs/dbraw/zinc/43/75/89/520437589.db2.gz UBMUJRLGGGQUEL-KRWDZBQOSA-N -1 3 354.447 2.712 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(C[C@@H]1C)CCOCC2 ZINC000592721858 520541529 /nfs/dbraw/zinc/54/15/29/520541529.db2.gz SFJUJDKCESXNKY-ZDUSSCGKSA-N -1 3 357.454 2.626 20 30 FFEDHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610265190 520611403 /nfs/dbraw/zinc/61/14/03/520611403.db2.gz GGXBILWDXVVRLA-ROUUACIJSA-N -1 3 360.410 2.714 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000610267027 520612249 /nfs/dbraw/zinc/61/22/49/520612249.db2.gz QOQZWICVJNMXOW-LBPRGKRZSA-N -1 3 350.362 2.526 20 30 FFEDHM C=CC[C@@H]1CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000595660474 520628487 /nfs/dbraw/zinc/62/84/87/520628487.db2.gz RJHIBXBQFDLZGC-GFCCVEGCSA-N -1 3 361.467 2.868 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCO)c1ccccc1F ZINC000592880236 520629780 /nfs/dbraw/zinc/62/97/80/520629780.db2.gz FPEMNTFWDUJJMH-SFHVURJKSA-N -1 3 371.412 2.587 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000617783800 520715309 /nfs/dbraw/zinc/71/53/09/520715309.db2.gz HGWMXTWCVDIOPT-MRXNPFEDSA-N -1 3 366.465 2.888 20 30 FFEDHM CCC(CC)(CNC(=O)N=c1[n-]n(C)cc1C#N)N[C@H](C)c1ccccc1 ZINC000610563962 520741282 /nfs/dbraw/zinc/74/12/82/520741282.db2.gz JDFBLKOQJCKYMM-OAHLLOKOSA-N -1 3 368.485 2.745 20 30 FFEDHM Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[nH]n1 ZINC000601425343 520782127 /nfs/dbraw/zinc/78/21/27/520782127.db2.gz CIAZURHXYSRWPZ-JTQLQIEISA-N -1 3 372.372 2.518 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000614079694 520788825 /nfs/dbraw/zinc/78/88/25/520788825.db2.gz QVZSVQJTIHVTHE-AWEZNQCLSA-N -1 3 374.890 2.972 20 30 FFEDHM N#CCc1ccnc(NC(=O)c2c[n-]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000610795274 520848138 /nfs/dbraw/zinc/84/81/38/520848138.db2.gz HRWCLHYDPCFUCK-UHFFFAOYSA-N -1 3 361.361 2.561 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cscc3C#N)sc2C1 ZINC000598891439 520905802 /nfs/dbraw/zinc/90/58/02/520905802.db2.gz PUKUXEUVTOFBFK-UHFFFAOYSA-N -1 3 356.432 2.710 20 30 FFEDHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611016427 520948185 /nfs/dbraw/zinc/94/81/85/520948185.db2.gz LQAZNBICFUIROQ-UHFFFAOYSA-N -1 3 365.842 2.872 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCCCC1 ZINC000611025660 520952048 /nfs/dbraw/zinc/95/20/48/520952048.db2.gz UDSFLFWJSGXNCO-OAHLLOKOSA-N -1 3 370.858 2.612 20 30 FFEDHM N#CC1(CNC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCCC1 ZINC000593425821 520986822 /nfs/dbraw/zinc/98/68/22/520986822.db2.gz SDDMREVIADPJPF-UHFFFAOYSA-N -1 3 370.453 2.836 20 30 FFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)cc1Cl ZINC000611114010 520990873 /nfs/dbraw/zinc/99/08/73/520990873.db2.gz XIPQMXQYFROKKS-SNVBAGLBSA-N -1 3 361.826 2.654 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)cc1F ZINC000618363372 521031903 /nfs/dbraw/zinc/03/19/03/521031903.db2.gz DIXADEDQODFLEU-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2ccsc2C#N)N(C)C)cc1 ZINC000593525669 521050538 /nfs/dbraw/zinc/05/05/38/521050538.db2.gz VOZHYKDWAPOUQX-HNNXBMFYSA-N -1 3 363.508 2.763 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)COCc1ccccc1 ZINC000593535458 521057533 /nfs/dbraw/zinc/05/75/33/521057533.db2.gz KYKCBFAYTQATOA-CYBMUJFWSA-N -1 3 350.465 2.751 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000593547347 521067874 /nfs/dbraw/zinc/06/78/74/521067874.db2.gz VOTUIDKEKXMXEW-ZDUSSCGKSA-N -1 3 365.455 2.706 20 30 FFEDHM COc1ccccc1OC[C@@H](C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593567877 521081733 /nfs/dbraw/zinc/08/17/33/521081733.db2.gz CXPRQFIOFMWQMV-LBPRGKRZSA-N -1 3 366.464 2.622 20 30 FFEDHM CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)CCO2 ZINC000593583380 521091218 /nfs/dbraw/zinc/09/12/18/521091218.db2.gz HCANEQZVASMBAE-CYBMUJFWSA-N -1 3 364.448 2.821 20 30 FFEDHM CC[C@@]1(C[N-]S(=O)(=O)c2ccsc2C#N)OCCc2ccccc21 ZINC000593595073 521097499 /nfs/dbraw/zinc/09/74/99/521097499.db2.gz BDMGWSKBQBMEDH-KRWDZBQOSA-N -1 3 362.476 2.776 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CC[C@H]1CSc2ccccc2O1 ZINC000593613935 521108397 /nfs/dbraw/zinc/10/83/97/521108397.db2.gz YAJHANPGNSKESX-NSHDSACASA-N -1 3 366.489 2.841 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000593630950 521120230 /nfs/dbraw/zinc/12/02/30/521120230.db2.gz BVVBFYRAOABGTE-MRXNPFEDSA-N -1 3 354.859 2.695 20 30 FFEDHM Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccc1[O-] ZINC000611527365 521203299 /nfs/dbraw/zinc/20/32/99/521203299.db2.gz JZJQQJNNNFCZGJ-GOSISDBHSA-N -1 3 353.397 2.862 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)c(Cl)c1 ZINC000611538928 521209012 /nfs/dbraw/zinc/20/90/12/521209012.db2.gz DVLQUNCCYFTXAX-MRXNPFEDSA-N -1 3 362.838 2.804 20 30 FFEDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000611540045 521210654 /nfs/dbraw/zinc/21/06/54/521210654.db2.gz NJGCANGYWMSSDE-UHFFFAOYSA-N -1 3 365.842 2.526 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1Br ZINC000594296031 521543379 /nfs/dbraw/zinc/54/33/79/521543379.db2.gz FPNDTMFZIIRKAH-ZDUSSCGKSA-N -1 3 373.210 2.817 20 30 FFEDHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3cccc(CC#N)c3)cccc21 ZINC000619463973 521582329 /nfs/dbraw/zinc/58/23/29/521582329.db2.gz OSFLFESMHJNPLP-GOSISDBHSA-N -1 3 371.462 2.939 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629162158 521999681 /nfs/dbraw/zinc/99/96/81/521999681.db2.gz SDSSDAVFXBPZBY-GFCCVEGCSA-N -1 3 368.821 2.860 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000628317757 523478171 /nfs/dbraw/zinc/47/81/71/523478171.db2.gz XYQTUTKSNKTEKS-UHFFFAOYSA-N -1 3 372.469 2.973 20 30 FFEDHM CC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000089997553 534858802 /nfs/dbraw/zinc/85/88/02/534858802.db2.gz HOQZRTVFIDONHH-UHFFFAOYSA-N -1 3 351.406 2.946 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735975119 598858169 /nfs/dbraw/zinc/85/81/69/598858169.db2.gz NHRUKOQOHJSICB-CYBMUJFWSA-N -1 3 363.377 2.905 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735975119 598858171 /nfs/dbraw/zinc/85/81/71/598858171.db2.gz NHRUKOQOHJSICB-CYBMUJFWSA-N -1 3 363.377 2.905 20 30 FFEDHM C=CCOc1cccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735436131 598882322 /nfs/dbraw/zinc/88/23/22/598882322.db2.gz GHBVOGUAPISKEM-QGZVFWFLSA-N -1 3 365.393 2.758 20 30 FFEDHM C=CCOc1cccc(N[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735436131 598882323 /nfs/dbraw/zinc/88/23/23/598882323.db2.gz GHBVOGUAPISKEM-QGZVFWFLSA-N -1 3 365.393 2.758 20 30 FFEDHM N#Cc1cc(NC(=O)CSc2ccc(F)c(F)c2)ccc1-c1nnn[n-]1 ZINC000737710500 598914231 /nfs/dbraw/zinc/91/42/31/598914231.db2.gz YOKCFWPCGRYWIK-UHFFFAOYSA-N -1 3 372.360 2.747 20 30 FFEDHM N#Cc1cc(NC(=O)CSc2ccc(F)c(F)c2)ccc1-c1nn[n-]n1 ZINC000737710500 598914232 /nfs/dbraw/zinc/91/42/32/598914232.db2.gz YOKCFWPCGRYWIK-UHFFFAOYSA-N -1 3 372.360 2.747 20 30 FFEDHM Cc1cc(C)c(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737249065 598914915 /nfs/dbraw/zinc/91/49/15/598914915.db2.gz RGAQZYBNTBTOOA-UHFFFAOYSA-N -1 3 362.393 2.681 20 30 FFEDHM Cc1cc(C)c(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737249065 598914917 /nfs/dbraw/zinc/91/49/17/598914917.db2.gz RGAQZYBNTBTOOA-UHFFFAOYSA-N -1 3 362.393 2.681 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1-c1nnn[n-]1 ZINC000737709819 598917162 /nfs/dbraw/zinc/91/71/62/598917162.db2.gz QTVIDCHCVYNFML-UHFFFAOYSA-N -1 3 356.748 2.712 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1-c1nn[n-]n1 ZINC000737709819 598917163 /nfs/dbraw/zinc/91/71/63/598917163.db2.gz QTVIDCHCVYNFML-UHFFFAOYSA-N -1 3 356.748 2.712 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1-c1nnn[n-]1 ZINC000737716906 598917669 /nfs/dbraw/zinc/91/76/69/598917669.db2.gz WNSQAPZVDBRRCS-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1-c1nn[n-]n1 ZINC000737716906 598917674 /nfs/dbraw/zinc/91/76/74/598917674.db2.gz WNSQAPZVDBRRCS-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2OC(F)F)ccc1-c1nnn[n-]1 ZINC000737707622 598918910 /nfs/dbraw/zinc/91/89/10/598918910.db2.gz AXHPBKXAEYMYCR-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2OC(F)F)ccc1-c1nn[n-]n1 ZINC000737707622 598918911 /nfs/dbraw/zinc/91/89/11/598918911.db2.gz AXHPBKXAEYMYCR-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1-c1nnn[n-]1 ZINC000737720182 598919432 /nfs/dbraw/zinc/91/94/32/598919432.db2.gz ZFERNWUDWNWKLZ-UHFFFAOYSA-N -1 3 360.377 2.779 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1-c1nn[n-]n1 ZINC000737720182 598919434 /nfs/dbraw/zinc/91/94/34/598919434.db2.gz ZFERNWUDWNWKLZ-UHFFFAOYSA-N -1 3 360.377 2.779 20 30 FFEDHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736186887 598925209 /nfs/dbraw/zinc/92/52/09/598925209.db2.gz FXBKTECEQJZHTG-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736186887 598925211 /nfs/dbraw/zinc/92/52/11/598925211.db2.gz FXBKTECEQJZHTG-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737464613 598926849 /nfs/dbraw/zinc/92/68/49/598926849.db2.gz QNWIIPIRTSPXFB-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737464613 598926850 /nfs/dbraw/zinc/92/68/50/598926850.db2.gz QNWIIPIRTSPXFB-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1nc2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2nc1C ZINC000737488600 598927122 /nfs/dbraw/zinc/92/71/22/598927122.db2.gz RYXQTHPOKYFVEP-UHFFFAOYSA-N -1 3 370.376 2.551 20 30 FFEDHM Cc1nc2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2nc1C ZINC000737488600 598927124 /nfs/dbraw/zinc/92/71/24/598927124.db2.gz RYXQTHPOKYFVEP-UHFFFAOYSA-N -1 3 370.376 2.551 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC(F)F)c1 ZINC000819772671 607253668 /nfs/dbraw/zinc/25/36/68/607253668.db2.gz IWDQLZRSRGQRQQ-UHFFFAOYSA-N -1 3 358.352 2.982 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC(F)F)c1 ZINC000819772671 607253669 /nfs/dbraw/zinc/25/36/69/607253669.db2.gz IWDQLZRSRGQRQQ-UHFFFAOYSA-N -1 3 358.352 2.982 20 30 FFEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCCO2 ZINC000820832155 607254337 /nfs/dbraw/zinc/25/43/37/607254337.db2.gz HMXXXUPMIFZQMM-UHFFFAOYSA-N -1 3 364.409 2.542 20 30 FFEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000820832155 607254338 /nfs/dbraw/zinc/25/43/38/607254338.db2.gz HMXXXUPMIFZQMM-UHFFFAOYSA-N -1 3 364.409 2.542 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737719391 599114130 /nfs/dbraw/zinc/11/41/30/599114130.db2.gz PURFWVVIPDSUOG-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737719391 599114138 /nfs/dbraw/zinc/11/41/38/599114138.db2.gz PURFWVVIPDSUOG-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM O=C1C(=Cc2ccc3c(c2)OCCO3)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503258 599117219 /nfs/dbraw/zinc/11/72/19/599117219.db2.gz CLAZWPJVUFCUKI-ZROIWOOFSA-N -1 3 360.373 2.850 20 30 FFEDHM O=C1C(=Cc2ccc3c(c2)OCCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503258 599117221 /nfs/dbraw/zinc/11/72/21/599117221.db2.gz CLAZWPJVUFCUKI-ZROIWOOFSA-N -1 3 360.373 2.850 20 30 FFEDHM COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1-c1nn[n-]n1 ZINC000737084131 599127061 /nfs/dbraw/zinc/12/70/61/599127061.db2.gz XFQXCBHQNXFBJX-UHFFFAOYSA-N -1 3 363.303 2.735 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737082105 599151124 /nfs/dbraw/zinc/15/11/24/599151124.db2.gz UQJZKXOYGSBTFZ-DAXSKMNVSA-N -1 3 365.349 2.988 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737082105 599151126 /nfs/dbraw/zinc/15/11/26/599151126.db2.gz UQJZKXOYGSBTFZ-DAXSKMNVSA-N -1 3 365.349 2.988 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc(NC(C)=O)c2)cc1-c1nnn[n-]1 ZINC000737082530 599151227 /nfs/dbraw/zinc/15/12/27/599151227.db2.gz WSHXLXSTRMFSRG-VURMDHGXSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc(NC(C)=O)c2)cc1-c1nn[n-]n1 ZINC000737082530 599151229 /nfs/dbraw/zinc/15/12/29/599151229.db2.gz WSHXLXSTRMFSRG-VURMDHGXSA-N -1 3 363.377 2.730 20 30 FFEDHM N#Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737715605 599198911 /nfs/dbraw/zinc/19/89/11/599198911.db2.gz BZRNTUJLOHRFDU-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737715605 599198913 /nfs/dbraw/zinc/19/89/13/599198913.db2.gz BZRNTUJLOHRFDU-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)ccc1-c1nnn[n-]1 ZINC000737703596 599200406 /nfs/dbraw/zinc/20/04/06/599200406.db2.gz DCLMFEJTMZHFSP-STQMWFEESA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)ccc1-c1nn[n-]n1 ZINC000737703596 599200408 /nfs/dbraw/zinc/20/04/08/599200408.db2.gz DCLMFEJTMZHFSP-STQMWFEESA-N -1 3 366.331 2.759 20 30 FFEDHM N#CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737694963 599217702 /nfs/dbraw/zinc/21/77/02/599217702.db2.gz HKWUIWJPHFNISG-UHFFFAOYSA-N -1 3 355.741 2.993 20 30 FFEDHM C=CCOc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735436215 598301516 /nfs/dbraw/zinc/30/15/16/598301516.db2.gz HMELUFARSKQJMF-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCOc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735436215 598301517 /nfs/dbraw/zinc/30/15/17/598301517.db2.gz HMELUFARSKQJMF-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM N#CCCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000737696062 598304200 /nfs/dbraw/zinc/30/42/00/598304200.db2.gz ZWMXSLHSGNLAIX-UHFFFAOYSA-N -1 3 364.434 2.802 20 30 FFEDHM N#CCCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000737696062 598304201 /nfs/dbraw/zinc/30/42/01/598304201.db2.gz ZWMXSLHSGNLAIX-UHFFFAOYSA-N -1 3 364.434 2.802 20 30 FFEDHM N#CCSc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737697466 598309149 /nfs/dbraw/zinc/30/91/49/598309149.db2.gz GWRWYZXNHZOGSS-UHFFFAOYSA-N -1 3 368.397 2.551 20 30 FFEDHM N#CCSc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737697466 598309151 /nfs/dbraw/zinc/30/91/51/598309151.db2.gz GWRWYZXNHZOGSS-UHFFFAOYSA-N -1 3 368.397 2.551 20 30 FFEDHM O=C(NCC#Cc1ccccc1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738037698 598479044 /nfs/dbraw/zinc/47/90/44/598479044.db2.gz IJMJUEOMBCAPHP-UHFFFAOYSA-N -1 3 372.432 2.592 20 30 FFEDHM O=C(NCC#Cc1ccccc1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738037698 598479046 /nfs/dbraw/zinc/47/90/46/598479046.db2.gz IJMJUEOMBCAPHP-UHFFFAOYSA-N -1 3 372.432 2.592 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000736167208 598491669 /nfs/dbraw/zinc/49/16/69/598491669.db2.gz CKRKXWANJAVGDU-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM C=CCSCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735436630 598558176 /nfs/dbraw/zinc/55/81/76/598558176.db2.gz QBAMLJYSXVORSP-UHFFFAOYSA-N -1 3 370.385 2.509 20 30 FFEDHM C=CCSCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735436630 598558178 /nfs/dbraw/zinc/55/81/78/598558178.db2.gz QBAMLJYSXVORSP-UHFFFAOYSA-N -1 3 370.385 2.509 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000737797929 598585711 /nfs/dbraw/zinc/58/57/11/598585711.db2.gz SNCZSBVDXKQVSQ-XVNBXDOJSA-N -1 3 361.283 2.882 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000737797929 598585713 /nfs/dbraw/zinc/58/57/13/598585713.db2.gz SNCZSBVDXKQVSQ-XVNBXDOJSA-N -1 3 361.283 2.882 20 30 FFEDHM N#CCCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000737685295 598690496 /nfs/dbraw/zinc/69/04/96/598690496.db2.gz BZQNFBVVOMOTRM-WDZFZDKYSA-N -1 3 362.368 2.966 20 30 FFEDHM N#CCCN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000737685295 598690497 /nfs/dbraw/zinc/69/04/97/598690497.db2.gz BZQNFBVVOMOTRM-WDZFZDKYSA-N -1 3 362.368 2.966 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCSC ZINC000735421382 599505590 /nfs/dbraw/zinc/50/55/90/599505590.db2.gz XVILLYIBFWLYQI-UHFFFAOYSA-N -1 3 360.487 2.708 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCSC ZINC000735421382 599505592 /nfs/dbraw/zinc/50/55/92/599505592.db2.gz XVILLYIBFWLYQI-UHFFFAOYSA-N -1 3 360.487 2.708 20 30 FFEDHM C[C@@]1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC000820577006 599631146 /nfs/dbraw/zinc/63/11/46/599631146.db2.gz GQEPOXWPNFVNII-HXUWFJFHSA-N -1 3 358.405 2.872 20 30 FFEDHM C[C@@]1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC000820577006 599631147 /nfs/dbraw/zinc/63/11/47/599631147.db2.gz GQEPOXWPNFVNII-HXUWFJFHSA-N -1 3 358.405 2.872 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821769465 607456054 /nfs/dbraw/zinc/45/60/54/607456054.db2.gz HULNNCXWQSHURW-ALCCZGGFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000821769465 607456055 /nfs/dbraw/zinc/45/60/55/607456055.db2.gz HULNNCXWQSHURW-ALCCZGGFSA-N -1 3 354.341 2.919 20 30 FFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821669152 607461493 /nfs/dbraw/zinc/46/14/93/607461493.db2.gz ZYKAISQOVFRJTR-CMDGGOBGSA-N -1 3 352.325 2.689 20 30 FFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821669152 607461494 /nfs/dbraw/zinc/46/14/94/607461494.db2.gz ZYKAISQOVFRJTR-CMDGGOBGSA-N -1 3 352.325 2.689 20 30 FFEDHM Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1ncccc1C(F)(F)F ZINC000822741486 607464030 /nfs/dbraw/zinc/46/40/30/607464030.db2.gz XMGUWTSQCAAAPV-UHFFFAOYSA-N -1 3 351.267 2.866 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(C#N)ccc1OC ZINC000823914979 607518724 /nfs/dbraw/zinc/51/87/24/607518724.db2.gz QOIDPACXNIWGHD-UHFFFAOYSA-N -1 3 360.421 2.935 20 30 FFEDHM Brc1cncc(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000823832314 607964490 /nfs/dbraw/zinc/96/44/90/607964490.db2.gz LWQITKNHHOGPIV-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM Brc1cncc(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000823832314 607964491 /nfs/dbraw/zinc/96/44/91/607964491.db2.gz LWQITKNHHOGPIV-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1CCC(C)C ZINC000826234732 607539759 /nfs/dbraw/zinc/53/97/59/607539759.db2.gz LOGWPJGQJNRCAC-UHFFFAOYSA-N -1 3 364.413 2.542 20 30 FFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1CCC(C)C ZINC000826234732 607539760 /nfs/dbraw/zinc/53/97/60/607539760.db2.gz LOGWPJGQJNRCAC-UHFFFAOYSA-N -1 3 364.413 2.542 20 30 FFEDHM COCCN(CC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1)C(=O)[O-] ZINC000739812570 603169958 /nfs/dbraw/zinc/16/99/58/603169958.db2.gz IGXDYCWEAYXZMZ-AWEZNQCLSA-N -1 3 373.434 2.921 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(-c3nnn[n-]3)nc2)ccc1OC ZINC000820842430 606081956 /nfs/dbraw/zinc/08/19/56/606081956.db2.gz MUSRVRLGEHWSIO-AWEZNQCLSA-N -1 3 365.397 2.563 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)nc2)ccc1OC ZINC000820842430 606081961 /nfs/dbraw/zinc/08/19/61/606081961.db2.gz MUSRVRLGEHWSIO-AWEZNQCLSA-N -1 3 365.397 2.563 20 30 FFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCCC(C)(C)C#N)n1 ZINC000821342483 606170421 /nfs/dbraw/zinc/17/04/21/606170421.db2.gz CTANUEAYDQTSJI-UHFFFAOYSA-N -1 3 360.443 2.860 20 30 FFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCCC(C)(C)C#N)n1 ZINC000821342483 606170422 /nfs/dbraw/zinc/17/04/22/606170422.db2.gz CTANUEAYDQTSJI-UHFFFAOYSA-N -1 3 360.443 2.860 20 30 FFEDHM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)[C@H]1C ZINC000820696729 606203370 /nfs/dbraw/zinc/20/33/70/606203370.db2.gz BOWSCIXSTFHQPY-GBIKHYSHSA-N -1 3 363.516 2.551 20 30 FFEDHM C[C@@H]1CCC[C@@H](NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)[C@H]1C ZINC000820696729 606203373 /nfs/dbraw/zinc/20/33/73/606203373.db2.gz BOWSCIXSTFHQPY-GBIKHYSHSA-N -1 3 363.516 2.551 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822254459 606203501 /nfs/dbraw/zinc/20/35/01/606203501.db2.gz KNMNNGCRNYSAOP-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822254459 606203504 /nfs/dbraw/zinc/20/35/04/606203504.db2.gz KNMNNGCRNYSAOP-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820220693 606250677 /nfs/dbraw/zinc/25/06/77/606250677.db2.gz XFLMHKBJVGUFQR-LLVKDONJSA-N -1 3 367.438 2.852 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820220693 606250678 /nfs/dbraw/zinc/25/06/78/606250678.db2.gz XFLMHKBJVGUFQR-LLVKDONJSA-N -1 3 367.438 2.852 20 30 FFEDHM N#Cc1cc(F)ccc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822823249 606264794 /nfs/dbraw/zinc/26/47/94/606264794.db2.gz NFDKUXBVJFGWRC-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1cc(F)ccc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822823249 606264796 /nfs/dbraw/zinc/26/47/96/606264796.db2.gz NFDKUXBVJFGWRC-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820555737 606326556 /nfs/dbraw/zinc/32/65/56/606326556.db2.gz OTGBEZHMIDKPDL-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820555737 606326557 /nfs/dbraw/zinc/32/65/57/606326557.db2.gz OTGBEZHMIDKPDL-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOCC2)cc1 ZINC000822923182 606388249 /nfs/dbraw/zinc/38/82/49/606388249.db2.gz NTBIWTRGWMCDRC-FNORWQNLSA-N -1 3 367.434 2.661 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819750594 606418977 /nfs/dbraw/zinc/41/89/77/606418977.db2.gz GTNBWWYKGKVONJ-UHFFFAOYSA-N -1 3 355.427 2.848 20 30 FFEDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccc(Cl)cc1 ZINC000823077898 606436711 /nfs/dbraw/zinc/43/67/11/606436711.db2.gz CCZREADXAFQADS-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(Cl)cc1 ZINC000823077898 606436713 /nfs/dbraw/zinc/43/67/13/606436713.db2.gz CCZREADXAFQADS-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000822802010 606445626 /nfs/dbraw/zinc/44/56/26/606445626.db2.gz UDIUWFMPFMARCY-LSDHHAIUSA-N -1 3 364.434 2.840 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000822802010 606445627 /nfs/dbraw/zinc/44/56/27/606445627.db2.gz UDIUWFMPFMARCY-LSDHHAIUSA-N -1 3 364.434 2.840 20 30 FFEDHM Cc1ccccc1CCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000822356671 606607726 /nfs/dbraw/zinc/60/77/26/606607726.db2.gz XOYDSHHGGASROC-UHFFFAOYSA-N -1 3 351.439 2.749 20 30 FFEDHM Cc1ccccc1CCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000822356671 606607728 /nfs/dbraw/zinc/60/77/28/606607728.db2.gz XOYDSHHGGASROC-UHFFFAOYSA-N -1 3 351.439 2.749 20 30 FFEDHM N#Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000822829921 606665740 /nfs/dbraw/zinc/66/57/40/606665740.db2.gz PDSCUNAZQGVEME-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000822829921 606665741 /nfs/dbraw/zinc/66/57/41/606665741.db2.gz PDSCUNAZQGVEME-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822810762 606723626 /nfs/dbraw/zinc/72/36/26/606723626.db2.gz MISWHDQMBFVKDG-UHFFFAOYSA-N -1 3 353.317 2.552 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822810762 606723628 /nfs/dbraw/zinc/72/36/28/606723628.db2.gz MISWHDQMBFVKDG-UHFFFAOYSA-N -1 3 353.317 2.552 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(F)ccc1F ZINC000822936729 606857673 /nfs/dbraw/zinc/85/76/73/606857673.db2.gz XLPAAJKYMJMERB-HWKANZROSA-N -1 3 352.304 2.689 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(F)ccc1F ZINC000822936729 606857674 /nfs/dbraw/zinc/85/76/74/606857674.db2.gz XLPAAJKYMJMERB-HWKANZROSA-N -1 3 352.304 2.689 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826177017 607872056 /nfs/dbraw/zinc/87/20/56/607872056.db2.gz OBPWBVPHSCQTLN-AWEZNQCLSA-N -1 3 371.784 2.513 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826177017 607872057 /nfs/dbraw/zinc/87/20/57/607872057.db2.gz OBPWBVPHSCQTLN-AWEZNQCLSA-N -1 3 371.784 2.513 20 30 FFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ncc(Br)s1 ZINC000826400629 607930578 /nfs/dbraw/zinc/93/05/78/607930578.db2.gz CYMWNLLPUHUUHB-SNAWJCMRSA-N -1 3 362.212 2.982 20 30 FFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ncc(Br)s1 ZINC000826400629 607930579 /nfs/dbraw/zinc/93/05/79/607930579.db2.gz CYMWNLLPUHUUHB-SNAWJCMRSA-N -1 3 362.212 2.982 20 30 FFEDHM C#CCNC(=S)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823850282 607966998 /nfs/dbraw/zinc/96/69/98/607966998.db2.gz MLOIBNCWOBLGSP-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM C#CCNC(=S)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823850282 607966999 /nfs/dbraw/zinc/96/69/99/607966999.db2.gz MLOIBNCWOBLGSP-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1CCC(OC)CC1 ZINC000823910222 607979408 /nfs/dbraw/zinc/97/94/08/607979408.db2.gz ZMNWGWJGYFXZMS-UHFFFAOYSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1CCC(OC)CC1 ZINC000823910222 607979409 /nfs/dbraw/zinc/97/94/09/607979409.db2.gz ZMNWGWJGYFXZMS-UHFFFAOYSA-N -1 3 369.469 2.977 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826403375 608094168 /nfs/dbraw/zinc/09/41/68/608094168.db2.gz QIGTYXFLIUHQBR-DAFODLJHSA-N -1 3 354.317 2.583 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000826383976 608158367 /nfs/dbraw/zinc/15/83/67/608158367.db2.gz AKOXXYRMFCLOLI-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000826383976 608158369 /nfs/dbraw/zinc/15/83/69/608158369.db2.gz AKOXXYRMFCLOLI-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM C=CCC(CC=C)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000823888528 608190891 /nfs/dbraw/zinc/19/08/91/608190891.db2.gz PLHWYOQMRJXTMF-UHFFFAOYSA-N -1 3 363.425 2.641 20 30 FFEDHM C=CCC(CC=C)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000823888528 608190892 /nfs/dbraw/zinc/19/08/92/608190892.db2.gz PLHWYOQMRJXTMF-UHFFFAOYSA-N -1 3 363.425 2.641 20 30 FFEDHM COc1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1F ZINC000826177094 608230896 /nfs/dbraw/zinc/23/08/96/608230896.db2.gz QYQXHTAZWHXBRI-GQCTYLIASA-N -1 3 364.340 2.558 20 30 FFEDHM COc1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1F ZINC000826177094 608230898 /nfs/dbraw/zinc/23/08/98/608230898.db2.gz QYQXHTAZWHXBRI-GQCTYLIASA-N -1 3 364.340 2.558 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)c(NCCSCc2ccccc2C#N)n1 ZINC000826276425 608271015 /nfs/dbraw/zinc/27/10/15/608271015.db2.gz GDLFDUBLTKNMAT-UHFFFAOYSA-N -1 3 351.439 2.787 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)c(NCCSCc2ccccc2C#N)n1 ZINC000826276425 608271016 /nfs/dbraw/zinc/27/10/16/608271016.db2.gz GDLFDUBLTKNMAT-UHFFFAOYSA-N -1 3 351.439 2.787 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)ccc1-c1nnn[n-]1 ZINC000826384475 608308704 /nfs/dbraw/zinc/30/87/04/608308704.db2.gz WWYDYZFXGWZKNJ-OAHLLOKOSA-N -1 3 374.404 2.885 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)ccc1-c1nn[n-]n1 ZINC000826384475 608308706 /nfs/dbraw/zinc/30/87/06/608308706.db2.gz WWYDYZFXGWZKNJ-OAHLLOKOSA-N -1 3 374.404 2.885 20 30 FFEDHM N#CCc1ccccc1CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826382877 609158266 /nfs/dbraw/zinc/15/82/66/609158266.db2.gz YUBQCHRQJULSJV-UHFFFAOYSA-N -1 3 352.785 2.767 20 30 FFEDHM N#CCc1ccccc1CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826382877 609158267 /nfs/dbraw/zinc/15/82/67/609158267.db2.gz YUBQCHRQJULSJV-UHFFFAOYSA-N -1 3 352.785 2.767 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403180 609271363 /nfs/dbraw/zinc/27/13/63/609271363.db2.gz LSHZUCKDSGXZHP-ONEGZZNKSA-N -1 3 366.278 2.661 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403180 609271365 /nfs/dbraw/zinc/27/13/65/609271365.db2.gz LSHZUCKDSGXZHP-ONEGZZNKSA-N -1 3 366.278 2.661 20 30 FFEDHM N#Cc1csc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826387827 609320969 /nfs/dbraw/zinc/32/09/69/609320969.db2.gz SXFKHHWSMBGQGO-UHFFFAOYSA-N -1 3 366.385 2.737 20 30 FFEDHM CC(=O)Nc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000823999960 609372020 /nfs/dbraw/zinc/37/20/20/609372020.db2.gz OUDPIBIEJIQUBD-UHFFFAOYSA-N -1 3 370.804 2.710 20 30 FFEDHM CC(=O)Nc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000823999960 609372023 /nfs/dbraw/zinc/37/20/23/609372023.db2.gz OUDPIBIEJIQUBD-UHFFFAOYSA-N -1 3 370.804 2.710 20 30 FFEDHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCO1 ZINC000824216153 609386227 /nfs/dbraw/zinc/38/62/27/609386227.db2.gz OJQYXYQPCWQEJS-LRDDRELGSA-N -1 3 354.414 2.518 20 30 FFEDHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCO1 ZINC000824216153 609386228 /nfs/dbraw/zinc/38/62/28/609386228.db2.gz OJQYXYQPCWQEJS-LRDDRELGSA-N -1 3 354.414 2.518 20 30 FFEDHM COC(=O)[C@H](C)n1cccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826104098 609471214 /nfs/dbraw/zinc/47/12/14/609471214.db2.gz PMVIOMUPGYCDRO-JTQLQIEISA-N -1 3 373.804 2.502 20 30 FFEDHM COC(=O)[C@H](C)n1cccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826104098 609471217 /nfs/dbraw/zinc/47/12/17/609471217.db2.gz PMVIOMUPGYCDRO-JTQLQIEISA-N -1 3 373.804 2.502 20 30 FFEDHM Cc1ccc(F)c2c1C(=NNc1ccc(-c3nnn[n-]3)c(Cl)c1)C(=O)N2 ZINC000826290096 609471603 /nfs/dbraw/zinc/47/16/03/609471603.db2.gz ZXIZILXVLYODDY-UHFFFAOYSA-N -1 3 371.763 2.736 20 30 FFEDHM Cc1ccc(F)c2c1C(=NNc1ccc(-c3nn[n-]n3)c(Cl)c1)C(=O)N2 ZINC000826290096 609471605 /nfs/dbraw/zinc/47/16/05/609471605.db2.gz ZXIZILXVLYODDY-UHFFFAOYSA-N -1 3 371.763 2.736 20 30 FFEDHM Clc1cc(NN=Cc2c[nH]nc2-c2cccnc2)ccc1-c1nnn[n-]1 ZINC000826351237 609472004 /nfs/dbraw/zinc/47/20/04/609472004.db2.gz DYTCYQVUTZGCIF-UHFFFAOYSA-N -1 3 365.788 2.751 20 30 FFEDHM Clc1cc(NN=Cc2c[nH]nc2-c2cccnc2)ccc1-c1nn[n-]n1 ZINC000826351237 609472005 /nfs/dbraw/zinc/47/20/05/609472005.db2.gz DYTCYQVUTZGCIF-UHFFFAOYSA-N -1 3 365.788 2.751 20 30 FFEDHM Cn1cc(CNc2cccc(-c3nnn[n-]3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826361799 609473589 /nfs/dbraw/zinc/47/35/89/609473589.db2.gz POYJFJZNKVTDIV-UHFFFAOYSA-N -1 3 356.393 2.751 20 30 FFEDHM Cn1cc(CNc2cccc(-c3nn[n-]n3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826361799 609473590 /nfs/dbraw/zinc/47/35/90/609473590.db2.gz POYJFJZNKVTDIV-UHFFFAOYSA-N -1 3 356.393 2.751 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2cc(C#N)cs2)cc1-c1nnn[n-]1 ZINC000825553050 609488639 /nfs/dbraw/zinc/48/86/39/609488639.db2.gz JSOBPQDCLQNQKO-UHFFFAOYSA-N -1 3 369.410 2.980 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2cc(C#N)cs2)cc1-c1nn[n-]n1 ZINC000825553050 609488642 /nfs/dbraw/zinc/48/86/42/609488642.db2.gz JSOBPQDCLQNQKO-UHFFFAOYSA-N -1 3 369.410 2.980 20 30 FFEDHM N#Cc1cc(Cl)ccc1COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826383686 609617881 /nfs/dbraw/zinc/61/78/81/609617881.db2.gz LNTKUHSZXXKIIE-UHFFFAOYSA-N -1 3 353.769 2.678 20 30 FFEDHM N#Cc1cc(Cl)ccc1COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826383686 609617883 /nfs/dbraw/zinc/61/78/83/609617883.db2.gz LNTKUHSZXXKIIE-UHFFFAOYSA-N -1 3 353.769 2.678 20 30 FFEDHM N#Cc1cc(Cl)ccc1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826383793 609619278 /nfs/dbraw/zinc/61/92/78/609619278.db2.gz QIQALKGULAXLIZ-UHFFFAOYSA-N -1 3 353.769 2.678 20 30 FFEDHM N#Cc1cc(Cl)ccc1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826383793 609619279 /nfs/dbraw/zinc/61/92/79/609619279.db2.gz QIQALKGULAXLIZ-UHFFFAOYSA-N -1 3 353.769 2.678 20 30 FFEDHM CC(=O)[C@H]1CC(C([O-])=C(C#N)c2nc(C)cs2)=NN1c1ccccc1 ZINC000073087285 728217572 /nfs/dbraw/zinc/21/75/72/728217572.db2.gz OADZWHXUOXIZCZ-GOEBONIOSA-N -1 3 352.419 2.852 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000126634786 728704347 /nfs/dbraw/zinc/70/43/47/728704347.db2.gz OHTGMSIVSYIPIC-UHFFFAOYSA-N -1 3 364.250 2.862 20 30 FFEDHM N#CCOc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151608202 728746119 /nfs/dbraw/zinc/74/61/19/728746119.db2.gz DJUYKCDNDDSHCS-UHFFFAOYSA-N -1 3 361.195 2.987 20 30 FFEDHM C=C(Cl)COC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000751686286 735907465 /nfs/dbraw/zinc/90/74/65/735907465.db2.gz IKGFPADPQBQTOP-UHFFFAOYSA-N -1 3 358.630 2.811 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccco2)ccc1F ZINC000248154309 729601966 /nfs/dbraw/zinc/60/19/66/729601966.db2.gz YOUIBHBEEKLHOP-GFCCVEGCSA-N -1 3 366.414 2.716 20 30 FFEDHM CS(=O)(=O)Nc1ccc(OCC/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000255067275 729630982 /nfs/dbraw/zinc/63/09/82/729630982.db2.gz QLCFTQRHOQAYDS-WQRHYEAKSA-N -1 3 368.842 2.915 20 30 FFEDHM C=CCOCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000302405737 729732485 /nfs/dbraw/zinc/73/24/85/729732485.db2.gz HXUUPLHQYFFMMQ-UHFFFAOYSA-N -1 3 354.653 2.583 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc(F)c1OC(F)(F)F ZINC000860955368 730561771 /nfs/dbraw/zinc/56/17/71/730561771.db2.gz SHHVBNRDFHHZJG-UHFFFAOYSA-N -1 3 372.200 2.791 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC)CC(C)C)ccc1F ZINC000914529506 737582310 /nfs/dbraw/zinc/58/23/10/737582310.db2.gz LELFAJVMCJSFEH-UHFFFAOYSA-N -1 3 356.463 2.798 20 30 FFEDHM C=CCOc1ccc(CNCc2nc3c(c(=O)[n-]2)COCC3)cc1Cl ZINC000865867767 731005799 /nfs/dbraw/zinc/00/57/99/731005799.db2.gz RCQTUQBCMLWTEQ-UHFFFAOYSA-N -1 3 361.829 2.763 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)c3cc(F)cc(C#N)c3)CCC2)n1 ZINC000866894674 731114704 /nfs/dbraw/zinc/11/47/04/731114704.db2.gz JEGXYVBFBKULLI-UHFFFAOYSA-N -1 3 351.428 2.820 20 30 FFEDHM CN(C)c1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1Cl ZINC000654972440 731415722 /nfs/dbraw/zinc/41/57/22/731415722.db2.gz VKVUESYWTZXMRI-GFCCVEGCSA-N -1 3 358.833 2.609 20 30 FFEDHM Cc1nc([C@H]2CCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000870135719 731473386 /nfs/dbraw/zinc/47/33/86/731473386.db2.gz DJXSYZKCDXYYSI-JSGCOSHPSA-N -1 3 355.419 2.917 20 30 FFEDHM COCCn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000870379434 731506554 /nfs/dbraw/zinc/50/65/54/731506554.db2.gz SYGCLVYTAVXABF-LBPRGKRZSA-N -1 3 352.316 2.742 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)cccc2C#N)cs1 ZINC000872460429 731772440 /nfs/dbraw/zinc/77/24/40/731772440.db2.gz GEGRUQYROGBKSC-NSHDSACASA-N -1 3 351.453 2.509 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H]1C=CCC1 ZINC000780587076 738559249 /nfs/dbraw/zinc/55/92/49/738559249.db2.gz SRYLFVWGVRSCKW-ZFWWWQNUSA-N -1 3 362.451 2.546 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(C)C)C2)ccc1F ZINC000781095535 738598631 /nfs/dbraw/zinc/59/86/31/738598631.db2.gz OGTUTQQYFUYPTD-HNNXBMFYSA-N -1 3 368.474 2.798 20 30 FFEDHM CSc1nc2ccc(NC(=O)N[C@@H]3CCCN([O-])C3=O)cc2s1 ZINC000877968716 732459844 /nfs/dbraw/zinc/45/98/44/732459844.db2.gz OVRZTPQOYBHGRH-SNVBAGLBSA-N -1 3 352.441 2.520 20 30 FFEDHM CSc1nc2ccc(NC(=O)N[C@H]3CCCN([O-])C3=O)cc2s1 ZINC000877968715 732459921 /nfs/dbraw/zinc/45/99/21/732459921.db2.gz OVRZTPQOYBHGRH-JTQLQIEISA-N -1 3 352.441 2.520 20 30 FFEDHM C[S@](=O)(=NS(=O)(=O)[N-]CC1CCC(C#N)CC1)C1CCCCC1 ZINC000882159433 733181009 /nfs/dbraw/zinc/18/10/09/733181009.db2.gz ZZEFEKRWVMHNMQ-DVUMAKGASA-N -1 3 361.533 2.581 20 30 FFEDHM COC(=O)[C@H](CC1CCOCC1)/N=C\c1cc(Br)ccc1[O-] ZINC000887268089 733902836 /nfs/dbraw/zinc/90/28/36/733902836.db2.gz BSYPDGXXHXLHDF-KPYNCUPYSA-N -1 3 370.243 2.932 20 30 FFEDHM C#C[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000890649274 734327790 /nfs/dbraw/zinc/32/77/90/734327790.db2.gz BUESATXFPANMOF-GFCCVEGCSA-N -1 3 359.223 2.919 20 30 FFEDHM N#C[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000928222977 738842570 /nfs/dbraw/zinc/84/25/70/738842570.db2.gz UTVIUTCPDQQVCW-SNVBAGLBSA-N -1 3 360.211 2.666 20 30 FFEDHM N#Cc1cc(F)c(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1Br ZINC000894376031 734847951 /nfs/dbraw/zinc/84/79/51/734847951.db2.gz VPGGIKGAYLXWLE-MRVPVSSYSA-N -1 3 351.179 2.882 20 30 FFEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000901374444 735772015 /nfs/dbraw/zinc/77/20/15/735772015.db2.gz IPDZQLWRJMAYLN-NSHDSACASA-N -1 3 355.362 2.545 20 30 FFEDHM C=CCOC[C@H](NCc1c(C)nn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC000901811646 735843055 /nfs/dbraw/zinc/84/30/55/735843055.db2.gz WDBXDALBSQWFTC-KRWDZBQOSA-N -1 3 363.845 2.888 20 30 FFEDHM C[C@@H](CC(=O)OCC1(C)CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000752546862 735994936 /nfs/dbraw/zinc/99/49/36/735994936.db2.gz RAQXOUUMVBZCBQ-ZDUSSCGKSA-N -1 3 364.467 2.627 20 30 FFEDHM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(Cc3cc(Cl)cc(C#N)c3)C2)cn1 ZINC000903411365 736088916 /nfs/dbraw/zinc/08/89/16/736088916.db2.gz LHFGZACFXCNYMA-HUUCEWRRSA-N -1 3 358.829 2.635 20 30 FFEDHM CCOC(=O)C1(CC(=O)N([O-])Cc2ccccc2Cl)CCOCC1 ZINC000904192514 736232396 /nfs/dbraw/zinc/23/23/96/736232396.db2.gz OLRRSWMSQMQKGT-UHFFFAOYSA-N -1 3 355.818 2.808 20 30 FFEDHM O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N([O-])CCCCc1ccccc1 ZINC000904192205 736232442 /nfs/dbraw/zinc/23/24/42/736232442.db2.gz DOFWFICSCJKQLP-OSYLJGHBSA-N -1 3 351.468 2.583 20 30 FFEDHM Cc1nn(-c2ccccc2)cc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000755662246 736269253 /nfs/dbraw/zinc/26/92/53/736269253.db2.gz MYNPUDHFYBQUPV-UHFFFAOYSA-N -1 3 354.435 2.634 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccncc2)ccc1F ZINC000757688152 736419533 /nfs/dbraw/zinc/41/95/33/736419533.db2.gz WFPBVTJNBAYICC-LBPRGKRZSA-N -1 3 364.398 2.603 20 30 FFEDHM COc1ccc(C=NNCCOCC(F)(F)F)c(Br)c1[O-] ZINC000761012809 736687916 /nfs/dbraw/zinc/68/79/16/736687916.db2.gz PMUNDGOYSKPCBO-UHFFFAOYSA-N -1 3 371.153 2.666 20 30 FFEDHM CC1CCC(c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)CC1 ZINC000761793988 736761873 /nfs/dbraw/zinc/76/18/73/736761873.db2.gz NHCYEFMAFDISHN-UHFFFAOYSA-N -1 3 360.439 2.602 20 30 FFEDHM CN(C)c1ccc2c(c1)N(C)C(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000761830006 736764219 /nfs/dbraw/zinc/76/42/19/736764219.db2.gz ZTLZQTKFMSXPBN-UHFFFAOYSA-N -1 3 352.423 2.550 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750684 736826361 /nfs/dbraw/zinc/82/63/61/736826361.db2.gz GWPYZUCAFBNWOA-CABCVRRESA-N -1 3 365.499 2.994 20 30 FFEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cccc(Br)c1 ZINC000769820048 737570548 /nfs/dbraw/zinc/57/05/48/737570548.db2.gz UUWHXEKGECABCN-UHFFFAOYSA-N -1 3 361.203 2.668 20 30 FFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000770389729 737621714 /nfs/dbraw/zinc/62/17/14/737621714.db2.gz CEYHHUVZGDMYGO-VIFPVBQESA-N -1 3 350.318 2.694 20 30 FFEDHM Cc1ncc(CO)c(C=NNC(=S)Nc2cccc(Cl)c2C)c1[O-] ZINC000916298274 737694224 /nfs/dbraw/zinc/69/42/24/737694224.db2.gz CUWUPJOKIDMCHT-UHFFFAOYSA-N -1 3 364.858 2.870 20 30 FFEDHM Cc1nc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cs1 ZINC000916320713 737696745 /nfs/dbraw/zinc/69/67/45/737696745.db2.gz HMKWJSGFHAEARP-CYBMUJFWSA-N -1 3 359.436 2.726 20 30 FFEDHM COc1cc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000916367293 737698714 /nfs/dbraw/zinc/69/87/14/737698714.db2.gz YHPPUAIJXFHWGS-JTQLQIEISA-N -1 3 354.819 2.668 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000916908063 737732107 /nfs/dbraw/zinc/73/21/07/737732107.db2.gz FIDBFWBZMOYEDW-SNVBAGLBSA-N -1 3 358.741 2.792 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ncc(Cl)n1C ZINC000773885038 737942760 /nfs/dbraw/zinc/94/27/60/737942760.db2.gz QLDFCJQZSKGDFC-NSHDSACASA-N -1 3 362.817 2.900 20 30 FFEDHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(F)cc1F ZINC000793381024 739775605 /nfs/dbraw/zinc/77/56/05/739775605.db2.gz JJVZBUFMGVIKKI-UHFFFAOYSA-N -1 3 369.324 2.735 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)ccc1F ZINC000794275099 739870021 /nfs/dbraw/zinc/87/00/21/739870021.db2.gz MMXVCWZGSTWIKD-CQSZACIVSA-N -1 3 368.474 2.941 20 30 FFEDHM [O-]c1ccc(F)c(CN=Nc2nc(Br)cn3ccnc23)c1F ZINC000794521100 739900118 /nfs/dbraw/zinc/90/01/18/739900118.db2.gz ZHXOMJCYAQFFOB-UHFFFAOYSA-N -1 3 368.141 2.922 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000797841028 740279172 /nfs/dbraw/zinc/27/91/72/740279172.db2.gz HRIHAAMDEUUQKH-BXKDBHETSA-N -1 3 351.255 2.648 20 30 FFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000798467454 740335105 /nfs/dbraw/zinc/33/51/05/740335105.db2.gz BCTIFRDDZOEMEA-VIFPVBQESA-N -1 3 363.233 2.990 20 30 FFEDHM C[C@@H](C#N)OCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000801848742 740657799 /nfs/dbraw/zinc/65/77/99/740657799.db2.gz BGDKFDKXUQIQMK-JTQLQIEISA-N -1 3 364.199 2.925 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCCF ZINC000803248400 740780061 /nfs/dbraw/zinc/78/00/61/740780061.db2.gz VVKXGKSXCURDQI-AWEZNQCLSA-N -1 3 370.446 2.577 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805104306 740938716 /nfs/dbraw/zinc/93/87/16/740938716.db2.gz UUBCMEJTHFJLEO-CYBMUJFWSA-N -1 3 352.818 2.787 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H](C#N)C1 ZINC000811043220 741475050 /nfs/dbraw/zinc/47/50/50/741475050.db2.gz YAUPNMBJRXNPRU-HZMBPMFUSA-N -1 3 365.817 2.534 20 30 FFEDHM N#Cc1cnn2c1[nH]c(COC(=O)c1cc3cc(Cl)sc3[n-]1)cc2=O ZINC000811395210 741515606 /nfs/dbraw/zinc/51/56/06/741515606.db2.gz ZMBMOEBDANWJPU-UHFFFAOYSA-N -1 3 373.781 2.860 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)CC=C)ccc1F ZINC000814420209 741824969 /nfs/dbraw/zinc/82/49/69/741824969.db2.gz SBFOJHCFBKOWAK-UHFFFAOYSA-N -1 3 354.447 2.622 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(Cl)c(N)c1 ZINC000814859070 741870429 /nfs/dbraw/zinc/87/04/29/741870429.db2.gz MNOFLUBLSULVSJ-UHFFFAOYSA-N -1 3 351.859 2.808 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCC[C@@H]1[C@H]1CCOC1 ZINC000814859001 741870575 /nfs/dbraw/zinc/87/05/75/741870575.db2.gz LHNMIEJRHNBDKA-DLBZAZTESA-N -1 3 350.484 2.731 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2CCC(F)CC2)ccc1F ZINC000843726079 747883448 /nfs/dbraw/zinc/88/34/48/747883448.db2.gz DCEUQWDZRHCAJO-UHFFFAOYSA-N -1 3 372.437 2.548 20 30 FFEDHM C#C[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000848283850 748893878 /nfs/dbraw/zinc/89/38/78/748893878.db2.gz CZAVKRBLXFXKCR-NSHDSACASA-N -1 3 359.223 2.776 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CCOCC1 ZINC000851829916 749692363 /nfs/dbraw/zinc/69/23/63/749692363.db2.gz STZLAUFOXYSXOL-ZDUSSCGKSA-N -1 3 365.348 2.551 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3c(C)cccn23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737432821 945064162 /nfs/dbraw/zinc/06/41/62/945064162.db2.gz CPOHKSVFFRYHQZ-BQYQJAHWSA-N -1 3 373.420 2.775 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3c(C)cccn23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737432821 945064169 /nfs/dbraw/zinc/06/41/69/945064169.db2.gz CPOHKSVFFRYHQZ-BQYQJAHWSA-N -1 3 373.420 2.775 20 30 FFEDHM CC(C)(CCC#N)CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000819975976 945321346 /nfs/dbraw/zinc/32/13/46/945321346.db2.gz GOMWPODZQOVSKW-UHFFFAOYSA-N -1 3 369.473 2.570 20 30 FFEDHM CC(C)(CCC#N)CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000819975976 945321356 /nfs/dbraw/zinc/32/13/56/945321356.db2.gz GOMWPODZQOVSKW-UHFFFAOYSA-N -1 3 369.473 2.570 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC001573287644 946844383 /nfs/dbraw/zinc/84/43/83/946844383.db2.gz OUHRJAQVQRCDRX-NSHDSACASA-N -1 3 353.407 2.572 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC001573287644 946844392 /nfs/dbraw/zinc/84/43/92/946844392.db2.gz OUHRJAQVQRCDRX-NSHDSACASA-N -1 3 353.407 2.572 20 30 FFEDHM C#CCOc1cccc(OC(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001573288302 946865395 /nfs/dbraw/zinc/86/53/95/946865395.db2.gz JLALZTRYEMNIAL-UHFFFAOYSA-N -1 3 362.389 2.644 20 30 FFEDHM C#CCOc1cccc(OC(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001573288302 946865406 /nfs/dbraw/zinc/86/54/06/946865406.db2.gz JLALZTRYEMNIAL-UHFFFAOYSA-N -1 3 362.389 2.644 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C)C1 ZINC001573294701 946997267 /nfs/dbraw/zinc/99/72/67/946997267.db2.gz IXJKCYNUBOTMDG-CYBMUJFWSA-N -1 3 350.430 2.548 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C)C1 ZINC001573294701 946997274 /nfs/dbraw/zinc/99/72/74/946997274.db2.gz IXJKCYNUBOTMDG-CYBMUJFWSA-N -1 3 350.430 2.548 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C)C1 ZINC001573294702 946998101 /nfs/dbraw/zinc/99/81/01/946998101.db2.gz IXJKCYNUBOTMDG-ZDUSSCGKSA-N -1 3 350.430 2.548 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C)C1 ZINC001573294702 946998107 /nfs/dbraw/zinc/99/81/07/946998107.db2.gz IXJKCYNUBOTMDG-ZDUSSCGKSA-N -1 3 350.430 2.548 20 30 FFEDHM C=C1CCC(C(=O)NC[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)C)CC1 ZINC001573295673 947026027 /nfs/dbraw/zinc/02/60/27/947026027.db2.gz HKCFBANPOPCYOP-MRXNPFEDSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CCC(C(=O)NC[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)C)CC1 ZINC001573295673 947026040 /nfs/dbraw/zinc/02/60/40/947026040.db2.gz HKCFBANPOPCYOP-MRXNPFEDSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nc2)CC(C)C)C1 ZINC001573297680 947063702 /nfs/dbraw/zinc/06/37/02/947063702.db2.gz JOPVPVBJIPYOLH-HNNXBMFYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nc2)CC(C)C)C1 ZINC001573297680 947063713 /nfs/dbraw/zinc/06/37/13/947063713.db2.gz JOPVPVBJIPYOLH-HNNXBMFYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573299747 947100633 /nfs/dbraw/zinc/10/06/33/947100633.db2.gz LMIVZSLSBOBAON-ZFWWWQNUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573299747 947100638 /nfs/dbraw/zinc/10/06/38/947100638.db2.gz LMIVZSLSBOBAON-ZFWWWQNUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573314910 947240316 /nfs/dbraw/zinc/24/03/16/947240316.db2.gz HUPRWQOYJWGIAR-ZDUSSCGKSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573314910 947240328 /nfs/dbraw/zinc/24/03/28/947240328.db2.gz HUPRWQOYJWGIAR-ZDUSSCGKSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573316805 947281970 /nfs/dbraw/zinc/28/19/70/947281970.db2.gz ZLWKKGMYRQOKEL-UPJWGTAASA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573316805 947281985 /nfs/dbraw/zinc/28/19/85/947281985.db2.gz ZLWKKGMYRQOKEL-UPJWGTAASA-N -1 3 358.421 2.667 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573334263 947452480 /nfs/dbraw/zinc/45/24/80/947452480.db2.gz LFTBJUPJKRXVAT-SWLSCSKDSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573334263 947452488 /nfs/dbraw/zinc/45/24/88/947452488.db2.gz LFTBJUPJKRXVAT-SWLSCSKDSA-N -1 3 358.421 2.621 20 30 FFEDHM CC(=O)[C@](C#N)(CCSc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573366843 947748523 /nfs/dbraw/zinc/74/85/23/947748523.db2.gz UFMGHJYUJQMIBN-GOSISDBHSA-N -1 3 364.434 2.794 20 30 FFEDHM CC(=O)[C@](C#N)(CCSc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573366843 947748508 /nfs/dbraw/zinc/74/85/08/947748508.db2.gz UFMGHJYUJQMIBN-GOSISDBHSA-N -1 3 364.434 2.794 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000127014709 971463199 /nfs/dbraw/zinc/46/31/99/971463199.db2.gz CVLSDVPCWDHELL-OAHLLOKOSA-N -1 3 353.334 2.873 20 30 FFEDHM N#CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000024795396 971488666 /nfs/dbraw/zinc/48/86/66/971488666.db2.gz BWERWYFJCGPUNY-UHFFFAOYSA-N -1 3 373.409 2.585 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCc1ccc(C#N)s1 ZINC001575504892 949093802 /nfs/dbraw/zinc/09/38/02/949093802.db2.gz WEIXSYFREFEMFJ-NSHDSACASA-N -1 3 367.438 2.702 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCc1ccc(C#N)s1 ZINC001575504892 949093819 /nfs/dbraw/zinc/09/38/19/949093819.db2.gz WEIXSYFREFEMFJ-NSHDSACASA-N -1 3 367.438 2.702 20 30 FFEDHM C=CCC[C@@H](C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000890535952 959151850 /nfs/dbraw/zinc/15/18/50/959151850.db2.gz WWADJKBRKDRDSG-DLBZAZTESA-N -1 3 352.438 2.627 20 30 FFEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)s1 ZINC000140361586 965186112 /nfs/dbraw/zinc/18/61/12/965186112.db2.gz NNUGFMAUSINUQS-GFCCVEGCSA-N -1 3 373.434 2.992 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnn(-c2ccc(Cl)cc2)c1 ZINC000125249382 973469987 /nfs/dbraw/zinc/46/99/87/973469987.db2.gz YEFQDSVPTCKPAU-HNNXBMFYSA-N -1 3 365.780 2.882 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc(-c2ccoc2)no1 ZINC000729866229 975603366 /nfs/dbraw/zinc/60/33/66/975603366.db2.gz ZDTFRLYDYRFCJH-UHFFFAOYSA-N -1 3 368.349 2.595 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2cccc([C@@H](C)N3CCOCC3)c2)c1[O-] ZINC000729150799 978191050 /nfs/dbraw/zinc/19/10/50/978191050.db2.gz YNKAJLPLYLCMAC-OAHLLOKOSA-N -1 3 355.438 2.732 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000129230404 981547060 /nfs/dbraw/zinc/54/70/60/981547060.db2.gz RSLLXGPGQGDPRT-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000129230404 981547063 /nfs/dbraw/zinc/54/70/63/981547063.db2.gz RSLLXGPGQGDPRT-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC000908900925 981569193 /nfs/dbraw/zinc/56/91/93/981569193.db2.gz NXGKLWGOPZLKCU-QZTJIDSGSA-N -1 3 359.470 2.851 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909095004 981620464 /nfs/dbraw/zinc/62/04/64/981620464.db2.gz RTYDTBHLFDFUKN-SZMVWBNQSA-N -1 3 359.470 2.758 20 30 FFEDHM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3cccc(C)c3)nn2)cc1 ZINC000127794947 981659065 /nfs/dbraw/zinc/65/90/65/981659065.db2.gz NDOKOIFPQPFHMR-QGZVFWFLSA-N -1 3 359.389 2.845 20 30 FFEDHM C#CCC1(O)CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000878296930 1014972866 /nfs/dbraw/zinc/97/28/66/1014972866.db2.gz PUSGOGIKRJCCQX-UHFFFAOYSA-N -1 3 366.421 2.540 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1F ZINC000045263456 984416726 /nfs/dbraw/zinc/41/67/26/984416726.db2.gz WEDKVEGUMOIPDE-ZDUSSCGKSA-N -1 3 374.437 2.881 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000129993669 985438440 /nfs/dbraw/zinc/43/84/40/985438440.db2.gz WFZAOMPYODRHEZ-OAHLLOKOSA-N -1 3 360.373 2.842 20 30 FFEDHM COc1ccc2c(c1)C(=N[N-]S(=O)(=O)CCc1ccccc1)CCCO2 ZINC000763171165 989154906 /nfs/dbraw/zinc/15/49/06/989154906.db2.gz DBHFLUVIKQVKNK-UHFFFAOYSA-N -1 3 374.462 2.734 20 30 FFEDHM O=C(COc1ccc2ccc(=O)oc2c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973001 989304077 /nfs/dbraw/zinc/30/40/77/989304077.db2.gz SEACFRYZBNZXGH-UHFFFAOYSA-N -1 3 352.306 2.838 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cn(-c2ccc(Cl)cc2)nn1 ZINC000916900654 990016483 /nfs/dbraw/zinc/01/64/83/990016483.db2.gz UJYJFXBVOROVRQ-OAHLLOKOSA-N -1 3 365.780 2.882 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)nc1 ZINC000916933917 990035606 /nfs/dbraw/zinc/03/56/06/990035606.db2.gz KJRXOALCAPOADP-AWEZNQCLSA-N -1 3 353.378 2.839 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OC(F)F ZINC000917509973 990235271 /nfs/dbraw/zinc/23/52/71/990235271.db2.gz XIQWWYQJQMESEN-NSHDSACASA-N -1 3 361.304 2.653 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC001599590231 993670384 /nfs/dbraw/zinc/67/03/84/993670384.db2.gz KKYDVMNASJEEJJ-SECBINFHSA-N -1 3 362.725 2.601 20 30 FFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCNC2=O)cc1 ZINC001593194575 994137644 /nfs/dbraw/zinc/13/76/44/994137644.db2.gz JLOXLMSWFQJQEJ-SCLBCKFNSA-N -1 3 364.405 2.564 20 30 FFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC001593196488 994154397 /nfs/dbraw/zinc/15/43/97/994154397.db2.gz UVIKNEFNWZDOBE-UGSOOPFHSA-N -1 3 365.389 2.991 20 30 FFEDHM CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187224 995054035 /nfs/dbraw/zinc/05/40/35/995054035.db2.gz CAQCZQKRWFRPKW-GFCCVEGCSA-N -1 3 352.346 2.650 20 30 FFEDHM N#Cc1ccc(F)c(CN2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)c1 ZINC001084196741 996328821 /nfs/dbraw/zinc/32/88/21/996328821.db2.gz UQFZHZLYZKIVTD-DNVCBOLYSA-N -1 3 365.408 2.749 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)c(F)c1 ZINC001084196576 996329653 /nfs/dbraw/zinc/32/96/53/996329653.db2.gz OIAUAEIDWUBWOE-VQIMIIECSA-N -1 3 365.408 2.749 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1OC ZINC000825027504 997183897 /nfs/dbraw/zinc/18/38/97/997183897.db2.gz ABDZUTZWCNTPOZ-SOFGYWHQSA-N -1 3 367.405 2.620 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000843998976 997596209 /nfs/dbraw/zinc/59/62/09/997596209.db2.gz KMZKLIRWKFPSPX-CQSZACIVSA-N -1 3 367.405 2.816 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H](c2ccccc2Cl)N2CCOCC2)ccc1[O-] ZINC001143863304 997739423 /nfs/dbraw/zinc/73/94/23/997739423.db2.gz NQUCVNWGZQFVAK-GOSISDBHSA-N -1 3 371.824 2.929 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000743640274 999827359 /nfs/dbraw/zinc/82/73/59/999827359.db2.gz GOXCFNYEFRNIIH-UHFFFAOYSA-N -1 3 370.380 2.610 20 30 FFEDHM COc1cc(C=NN2CC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000744806974 999877259 /nfs/dbraw/zinc/87/72/59/999877259.db2.gz FFYDESDNGXCNMU-UHFFFAOYSA-N -1 3 373.796 2.813 20 30 FFEDHM Cc1cccc2nc(C(C#N)=C([O-])C3=NN(CC(C)C)C(=O)CC3)[nH]c21 ZINC000766872021 1000084562 /nfs/dbraw/zinc/08/45/62/1000084562.db2.gz QSTWNDJIPWJPFO-CYBMUJFWSA-N -1 3 351.410 2.682 20 30 FFEDHM COc1cc(C#N)ccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000766875525 1000084716 /nfs/dbraw/zinc/08/47/16/1000084716.db2.gz PLWRVHQJROZFQR-UHFFFAOYSA-N -1 3 365.389 2.832 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@](C)(O)c2ccccc2)c(C)c1[O-] ZINC001182931175 1002112711 /nfs/dbraw/zinc/11/27/11/1002112711.db2.gz BHBBBWDMKHDKBK-HXUWFJFHSA-N -1 3 368.389 2.595 20 30 FFEDHM C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001092491404 1002964206 /nfs/dbraw/zinc/96/42/06/1002964206.db2.gz ATRKCAUCKOAGTF-UKRRQHHQSA-N -1 3 368.412 2.690 20 30 FFEDHM COC(=O)Nc1ccc(C(=O)OCc2ccc(OC)c(C#N)c2)cc1[O-] ZINC000747070142 1003000118 /nfs/dbraw/zinc/00/01/18/1003000118.db2.gz JFJUANHQJAYXKB-UHFFFAOYSA-N -1 3 356.334 2.808 20 30 FFEDHM CCCCCCCN(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185581828 1003007407 /nfs/dbraw/zinc/00/74/07/1003007407.db2.gz DHCRGTFPKZJFQR-UHFFFAOYSA-N -1 3 351.476 2.848 20 30 FFEDHM CCCCCCCN(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185581828 1003007419 /nfs/dbraw/zinc/00/74/19/1003007419.db2.gz DHCRGTFPKZJFQR-UHFFFAOYSA-N -1 3 351.476 2.848 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(N(C)C)cc1 ZINC000773087775 1003162534 /nfs/dbraw/zinc/16/25/34/1003162534.db2.gz KLCWPANHDLDPGX-LBPRGKRZSA-N -1 3 374.422 2.572 20 30 FFEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186365699 1003289873 /nfs/dbraw/zinc/28/98/73/1003289873.db2.gz DRVBMECZQCIFKD-LLVKDONJSA-N -1 3 366.668 2.858 20 30 FFEDHM Cc1ccc([C@@H](O)[C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000804486841 1003679875 /nfs/dbraw/zinc/67/98/75/1003679875.db2.gz RSVIFWNWQCTNNR-YWZLYKJASA-N -1 3 367.449 2.755 20 30 FFEDHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=S)Nc1ccccc1C#N ZINC001196313166 1003731922 /nfs/dbraw/zinc/73/19/22/1003731922.db2.gz LXYMKXKTXGDTTR-AWEZNQCLSA-N -1 3 374.466 2.771 20 30 FFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=S)Nc1ccccc1C#N ZINC001196313166 1003731926 /nfs/dbraw/zinc/73/19/26/1003731926.db2.gz LXYMKXKTXGDTTR-AWEZNQCLSA-N -1 3 374.466 2.771 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)c2ccc(C#N)cc2C(F)(F)F)[n-]1 ZINC001192088834 1004044453 /nfs/dbraw/zinc/04/44/53/1004044453.db2.gz SYNSHPAOVRSMLD-UHFFFAOYSA-N -1 3 352.272 2.729 20 30 FFEDHM CCOC(=O)c1nc(NC(=O)c2ccc(C#N)cc2C(F)(F)F)c[n-]1 ZINC001192088834 1004044459 /nfs/dbraw/zinc/04/44/59/1004044459.db2.gz SYNSHPAOVRSMLD-UHFFFAOYSA-N -1 3 352.272 2.729 20 30 FFEDHM C=C1CC(C(=O)N2CC3(C[C@@H]3C(=O)Nc3nc4c(cccc4[O-])s3)C2)C1 ZINC001273768101 1004667396 /nfs/dbraw/zinc/66/73/96/1004667396.db2.gz HVKZSMPLTZKYDI-GFCCVEGCSA-N -1 3 369.446 2.755 20 30 FFEDHM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1ccc(Cl)[n-]c1=O)CC2 ZINC001195129249 1004898728 /nfs/dbraw/zinc/89/87/28/1004898728.db2.gz DNWUWKJOJJSTTL-GOSISDBHSA-N -1 3 363.845 2.614 20 30 FFEDHM COc1cc(CNS(=O)(=O)c2ccc(C)c(C#N)c2)cc(Cl)c1[O-] ZINC001201336688 1005203227 /nfs/dbraw/zinc/20/32/27/1005203227.db2.gz LAKMYCPAYQCSGM-UHFFFAOYSA-N -1 3 366.826 2.713 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000776276038 1005341188 /nfs/dbraw/zinc/34/11/88/1005341188.db2.gz XHHUMODQXLEMOY-UHFFFAOYSA-N -1 3 366.289 2.579 20 30 FFEDHM C[C@H](C#N)C(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001489964110 1005607609 /nfs/dbraw/zinc/60/76/09/1005607609.db2.gz UDQSXWONBOJDQW-BFYDXBDKSA-N -1 3 357.454 2.689 20 30 FFEDHM COc1ccc(CN2CCC(=N[N-]c3nccnc3C3CCC3)C2=O)cc1 ZINC000853346359 1006372043 /nfs/dbraw/zinc/37/20/43/1006372043.db2.gz YZNADLOIRUKAIX-UHFFFAOYSA-N -1 3 365.437 2.953 20 30 FFEDHM N#Cc1ccccc1OCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188088321 1006405810 /nfs/dbraw/zinc/40/58/10/1006405810.db2.gz FSCNPDYZCRVDQF-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM N#Cc1ccc(-c2ccc(C(=O)N=c3ncnc4[nH][n-]cc3-4)cc2)cc1F ZINC001188696745 1006680698 /nfs/dbraw/zinc/68/06/98/1006680698.db2.gz QIMMUENRKPHDLM-UHFFFAOYSA-N -1 3 358.336 2.656 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000854700339 1006955426 /nfs/dbraw/zinc/95/54/26/1006955426.db2.gz RTIXQLCJPNJVEF-IBGZPJMESA-N -1 3 371.462 2.870 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000113991975 1007715100 /nfs/dbraw/zinc/71/51/00/1007715100.db2.gz VMCMVWIBZIKMFL-CQSZACIVSA-N -1 3 362.389 2.534 20 30 FFEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)C2CC2)nc1 ZINC001190676938 1007745140 /nfs/dbraw/zinc/74/51/40/1007745140.db2.gz LMFXVLTUGCXIAV-QGZVFWFLSA-N -1 3 361.398 2.531 20 30 FFEDHM COc1cnccc1[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C1CC1 ZINC001190681610 1007747808 /nfs/dbraw/zinc/74/78/08/1007747808.db2.gz KYKLLDQKAYCHSC-QGZVFWFLSA-N -1 3 361.398 2.531 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCC(F)F)c2)c1 ZINC000136592981 1008546468 /nfs/dbraw/zinc/54/64/68/1008546468.db2.gz ZTIDZIBDBAGSMQ-AWEZNQCLSA-N -1 3 359.332 2.995 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 ZINC000860468206 1009017187 /nfs/dbraw/zinc/01/71/87/1009017187.db2.gz IYADEZYZLAQIRA-PNHOKKKMSA-N -1 3 354.406 2.764 20 30 FFEDHM C#CCC1(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCOCC1 ZINC000887243353 1009094575 /nfs/dbraw/zinc/09/45/75/1009094575.db2.gz IWBKMZPZDPGQAQ-UHFFFAOYSA-N -1 3 366.421 2.852 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1Cc2ccccc2CO1 ZINC000861174564 1009291543 /nfs/dbraw/zinc/29/15/43/1009291543.db2.gz FBPSDIHUWZRMQG-KRWDZBQOSA-N -1 3 366.417 2.893 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(C)C)cn2)c1 ZINC000774044190 1010436360 /nfs/dbraw/zinc/43/63/60/1010436360.db2.gz RCQQCZPLFSEZDK-INIZCTEOSA-N -1 3 353.378 2.839 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(OCC(F)(F)F)cn1 ZINC000774045049 1010436988 /nfs/dbraw/zinc/43/69/88/1010436988.db2.gz WWGMOKCQZLPIKF-ZDUSSCGKSA-N -1 3 363.295 2.984 20 30 FFEDHM COc1cc(C(=O)/C=C/c2ccc(-n3cncn3)cc2)c(OC)cc1[O-] ZINC000122526960 1011735464 /nfs/dbraw/zinc/73/54/64/1011735464.db2.gz NOYHREITIHYNBX-VMPITWQZSA-N -1 3 351.362 2.886 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000122810863 1011993713 /nfs/dbraw/zinc/99/37/13/1011993713.db2.gz YSOZORRPPLJGCM-UHFFFAOYSA-N -1 3 370.430 2.729 20 30 FFEDHM COCc1sccc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000870148656 1012203299 /nfs/dbraw/zinc/20/32/99/1012203299.db2.gz SXJJGSBDFPWIMG-CYBMUJFWSA-N -1 3 372.402 2.627 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001275433861 1012457436 /nfs/dbraw/zinc/45/74/36/1012457436.db2.gz UYIUJHASZWOMQY-AWEZNQCLSA-N -1 3 350.409 2.965 20 30 FFEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc([O-])cc(Cl)c1 ZINC001275686237 1012857279 /nfs/dbraw/zinc/85/72/79/1012857279.db2.gz DXTWGRACEHJWCP-HZPDHXFCSA-N -1 3 361.829 2.555 20 30 FFEDHM Cc1nc(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccccc3[O-])C2)ccc1C#N ZINC001055491049 1017595571 /nfs/dbraw/zinc/59/55/71/1017595571.db2.gz FDIUCXLDFNAGLB-KKSFZXQISA-N -1 3 362.433 2.756 20 30 FFEDHM C[C@H]1Oc2ccccc2N(CCC(=O)N([O-])Cc2ccc(F)cc2)C1=O ZINC000901376278 1019019523 /nfs/dbraw/zinc/01/95/23/1019019523.db2.gz SCGCJYUTAHERLG-CYBMUJFWSA-N -1 3 358.369 2.748 20 30 FFEDHM C=CCOC[C@@H](NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000901810064 1019491756 /nfs/dbraw/zinc/49/17/56/1019491756.db2.gz WAQKNPMIXGGLOD-OAHLLOKOSA-N -1 3 369.343 2.637 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](C#N)C3)nc(=O)c2c1C ZINC000932156105 1020726120 /nfs/dbraw/zinc/72/61/20/1020726120.db2.gz VYXZFOHYALZARN-VXGBXAGGSA-N -1 3 374.466 2.766 20 30 FFEDHM COc1cccc(OCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000751642414 1022883420 /nfs/dbraw/zinc/88/34/20/1022883420.db2.gz CBFUQVMRQBIMNB-UHFFFAOYSA-N -1 3 370.405 2.839 20 30 FFEDHM Cc1nc(C)c(CC(=O)OCc2ccc(C#N)cc2OC(F)F)c(=O)[n-]1 ZINC000752542458 1023158962 /nfs/dbraw/zinc/15/89/62/1023158962.db2.gz WHSRZRAKFNPXRY-UHFFFAOYSA-N -1 3 363.320 2.558 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H]2CSC[C@]2(C)C1 ZINC001122483186 1023297909 /nfs/dbraw/zinc/29/79/09/1023297909.db2.gz UNURLHXQXBABFU-ACJLOTCBSA-N -1 3 372.498 2.515 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001122567317 1023343418 /nfs/dbraw/zinc/34/34/18/1023343418.db2.gz OVTXSQKRXYSQMW-ZDUSSCGKSA-N -1 3 352.398 2.604 20 30 FFEDHM N#Cc1ccccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000755541681 1023607885 /nfs/dbraw/zinc/60/78/85/1023607885.db2.gz GYYSQYCXDFCIOI-MRXNPFEDSA-N -1 3 363.402 2.833 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](C)OC2(CCCCC2)C1 ZINC001121533089 1023831998 /nfs/dbraw/zinc/83/19/98/1023831998.db2.gz PLKKTXCELWRTAW-AWEZNQCLSA-N -1 3 370.457 2.555 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001121607324 1023877486 /nfs/dbraw/zinc/87/74/86/1023877486.db2.gz LUZLRZOJFPJQKM-HNNXBMFYSA-N -1 3 354.458 2.952 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001121607325 1023878223 /nfs/dbraw/zinc/87/82/23/1023878223.db2.gz LUZLRZOJFPJQKM-OAHLLOKOSA-N -1 3 354.458 2.952 20 30 FFEDHM N#Cc1ccc2c(c1)CN(c1nnc(-c3nnc(Cl)[n-]3)n1CC1CC1)C2 ZINC001123593441 1023888772 /nfs/dbraw/zinc/88/87/72/1023888772.db2.gz CZGBJMLVUAIFBP-UHFFFAOYSA-N -1 3 366.816 2.518 20 30 FFEDHM N#Cc1ccc2c(c1)CN(c1nnc(-c3n[n-]c(Cl)n3)n1CC1CC1)C2 ZINC001123593441 1023888781 /nfs/dbraw/zinc/88/87/81/1023888781.db2.gz CZGBJMLVUAIFBP-UHFFFAOYSA-N -1 3 366.816 2.518 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CCCC(=O)NC)n2CC)c1[O-] ZINC001121796829 1024034502 /nfs/dbraw/zinc/03/45/02/1024034502.db2.gz XCFMJWBDLKZMJA-UHFFFAOYSA-N -1 3 371.485 2.752 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccn2c(Br)cnc12 ZINC001153225487 1027802674 /nfs/dbraw/zinc/80/26/74/1027802674.db2.gz BGAHIOBZXJWLAY-UHFFFAOYSA-N -1 3 374.198 2.536 20 30 FFEDHM CC1(C)C(C)(C)C1(C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161801898 1028317184 /nfs/dbraw/zinc/31/71/84/1028317184.db2.gz FRDGKKXPURKHED-UHFFFAOYSA-N -1 3 358.438 2.963 20 30 FFEDHM C[C@H]1CN(c2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cn2)C[C@H](C)O1 ZINC001161842687 1028332102 /nfs/dbraw/zinc/33/21/02/1028332102.db2.gz LTZAHINVJORRRI-KBPBESRZSA-N -1 3 359.401 2.866 20 30 FFEDHM COc1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)c3cc(C#N)ccc3[n-]1)CC2 ZINC001154560680 1028353991 /nfs/dbraw/zinc/35/39/91/1028353991.db2.gz NUOLTZZASDPQCL-KRWDZBQOSA-N -1 3 359.385 2.826 20 30 FFEDHM O=C1COc2cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cnc2N1 ZINC001163765574 1029055531 /nfs/dbraw/zinc/05/55/31/1029055531.db2.gz HLSLADMRIOIUIY-UHFFFAOYSA-N -1 3 368.271 2.559 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCc2ccc3nonc3c2)n1 ZINC001156260256 1029115858 /nfs/dbraw/zinc/11/58/58/1029115858.db2.gz CVNXNNLLXUGQKF-OMCISZLKSA-N -1 3 350.791 2.808 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccn2c1nnc2C1CC1 ZINC001156360082 1029164041 /nfs/dbraw/zinc/16/40/41/1029164041.db2.gz AIANTMNMWNNJOL-UHFFFAOYSA-N -1 3 367.390 2.579 20 30 FFEDHM N#CNC(=NC(=O)c1[n-]nc2c1cccc2OC(F)(F)F)c1ccncc1 ZINC001156872649 1029384039 /nfs/dbraw/zinc/38/40/39/1029384039.db2.gz QCHDAPJVYWKGCS-UHFFFAOYSA-N -1 3 374.282 2.514 20 30 FFEDHM N#CNC(=NC(=O)c1n[n-]c2c1cccc2OC(F)(F)F)c1ccncc1 ZINC001156872649 1029384054 /nfs/dbraw/zinc/38/40/54/1029384054.db2.gz QCHDAPJVYWKGCS-UHFFFAOYSA-N -1 3 374.282 2.514 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)O[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000783375395 1030062170 /nfs/dbraw/zinc/06/21/70/1030062170.db2.gz NNELSJXNJHQJOB-CQSZACIVSA-N -1 3 352.390 2.997 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@H](O/C(=N\[O-])c2ccccn2)[C@@H](F)C1 ZINC001223978740 1033670726 /nfs/dbraw/zinc/67/07/26/1033670726.db2.gz ZDXVPMSOMXLBQX-BGLYEWQXSA-N -1 3 353.394 2.972 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)[n-]1 ZINC001225468266 1034265820 /nfs/dbraw/zinc/26/58/20/1034265820.db2.gz NCHCYJZPARFJFA-ZDUSSCGKSA-N -1 3 369.368 2.991 20 30 FFEDHM Cc1ncc(CO)c(CN2CCC(C#N)(c3ccccc3F)CC2)c1[O-] ZINC001140872312 1036341086 /nfs/dbraw/zinc/34/10/86/1036341086.db2.gz YRZMYSMQZZXELA-UHFFFAOYSA-N -1 3 355.413 2.784 20 30 FFEDHM COC(=O)[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccc(F)cc1 ZINC001234511241 1037067584 /nfs/dbraw/zinc/06/75/84/1037067584.db2.gz MIBBNUSPAFYNSU-HNNXBMFYSA-N -1 3 353.309 2.639 20 30 FFEDHM C=CCOC[C@H]1c2nnn(C)c2CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231868053 1037964145 /nfs/dbraw/zinc/96/41/45/1037964145.db2.gz PQZTZNPHCPHZQJ-INIZCTEOSA-N -1 3 362.861 2.785 20 30 FFEDHM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1N1CCN(C)CC1 ZINC001255539024 1037997601 /nfs/dbraw/zinc/99/76/01/1037997601.db2.gz LDTBPKKWAVVGSL-UHFFFAOYSA-N -1 3 350.422 2.576 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208954599 1038605168 /nfs/dbraw/zinc/60/51/68/1038605168.db2.gz OIIAMYZNBSMKRB-CZUORRHYSA-N -1 3 358.486 2.598 20 30 FFEDHM N#Cc1cc(-c2ccc(Cc3nnn[n-]3)cc2)ccc1OC1CCOCC1 ZINC001245307159 1038951547 /nfs/dbraw/zinc/95/15/47/1038951547.db2.gz GMQRDXQXBQIMQR-UHFFFAOYSA-N -1 3 361.405 2.887 20 30 FFEDHM N#Cc1cc(-c2ccc(Cc3nn[n-]n3)cc2)ccc1OC1CCOCC1 ZINC001245307159 1038951566 /nfs/dbraw/zinc/95/15/66/1038951566.db2.gz GMQRDXQXBQIMQR-UHFFFAOYSA-N -1 3 361.405 2.887 20 30 FFEDHM C=C[C@H]1C[C@@]1([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC ZINC001251374960 1039098754 /nfs/dbraw/zinc/09/87/54/1039098754.db2.gz UAMKNMOFKQPUAI-XPTSAGLGSA-N -1 3 364.250 2.780 20 30 FFEDHM COC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259124625 1039731882 /nfs/dbraw/zinc/73/18/82/1039731882.db2.gz ZBUAMBIDUAEMFN-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM N#Cc1cc(Br)ccc1-c1noc(C2CC(=O)C=C([O-])C2)n1 ZINC001247548508 1039802858 /nfs/dbraw/zinc/80/28/58/1039802858.db2.gz FLQHZFSUSPXNPU-UHFFFAOYSA-N -1 3 360.167 2.776 20 30 FFEDHM Cn1cc(CN2CC3(C2)CN(Cc2c([O-])cccc2Cl)C3)cc1C#N ZINC001278491523 1039885056 /nfs/dbraw/zinc/88/50/56/1039885056.db2.gz XDFCPZVMQJKINC-UHFFFAOYSA-N -1 3 356.857 2.574 20 30 FFEDHM C=CCc1cccc(-c2nc3cc(C)c(S(N)(=O)=O)cc3n2C)c1[O-] ZINC001250712573 1041321507 /nfs/dbraw/zinc/32/15/07/1041321507.db2.gz IIQCNTPVGVZEJB-UHFFFAOYSA-N -1 3 357.435 2.630 20 30 FFEDHM Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1[O-] ZINC001279497691 1043187644 /nfs/dbraw/zinc/18/76/44/1043187644.db2.gz LFAPMUOOTCKFDT-CALCHBBNSA-N -1 3 354.479 2.878 20 30 FFEDHM N#Cc1ccc(CN2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)c([O-])c1 ZINC001279498192 1043189149 /nfs/dbraw/zinc/18/91/49/1043189149.db2.gz YCHTUIGDDHUPOX-UHFFFAOYSA-N -1 3 367.474 2.602 20 30 FFEDHM C=CCOC(=O)N1CCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237684470 1043311738 /nfs/dbraw/zinc/31/17/38/1043311738.db2.gz KZVGZXIOIBKLBK-UHFFFAOYSA-N -1 3 369.259 2.903 20 30 FFEDHM C=CCN(CC=C)CCN1CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237995124 1043473672 /nfs/dbraw/zinc/47/36/72/1043473672.db2.gz MZHJRBOUIOUNGS-UHFFFAOYSA-N -1 3 367.896 2.976 20 30 FFEDHM COc1cc2cc(C#N)c(-c3ccc(-c4nnn[n-]4)cc3)nc2cc1OC ZINC001241441161 1044515883 /nfs/dbraw/zinc/51/58/83/1044515883.db2.gz CIYLDMJMFKHEAG-UHFFFAOYSA-N -1 3 358.361 2.971 20 30 FFEDHM COc1cc2cc(C#N)c(-c3ccc(-c4nn[n-]n4)cc3)nc2cc1OC ZINC001241441161 1044515899 /nfs/dbraw/zinc/51/58/99/1044515899.db2.gz CIYLDMJMFKHEAG-UHFFFAOYSA-N -1 3 358.361 2.971 20 30 FFEDHM CC(C)(C)COS(=O)(=O)c1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001242179651 1044701530 /nfs/dbraw/zinc/70/15/30/1044701530.db2.gz RIEHSNKUBKVTTQ-UHFFFAOYSA-N -1 3 373.438 2.680 20 30 FFEDHM CC(C)(C)COS(=O)(=O)c1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001242179651 1044701543 /nfs/dbraw/zinc/70/15/43/1044701543.db2.gz RIEHSNKUBKVTTQ-UHFFFAOYSA-N -1 3 373.438 2.680 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001316791897 1044987609 /nfs/dbraw/zinc/98/76/09/1044987609.db2.gz DYKWLOKBTYORML-CJNGLKHVSA-N -1 3 358.486 2.741 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC ZINC001321048602 1045523007 /nfs/dbraw/zinc/52/30/07/1045523007.db2.gz KSRQBNTXSCJZOX-NSHDSACASA-N -1 3 352.239 2.780 20 30 FFEDHM COC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cccc(Cl)c1 ZINC001323414412 1045582022 /nfs/dbraw/zinc/58/20/22/1045582022.db2.gz SFNKCQAWCCNEEW-CQSZACIVSA-N -1 3 350.827 2.766 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1cc(C)cc(C)c1 ZINC001324016306 1045825940 /nfs/dbraw/zinc/82/59/40/1045825940.db2.gz OOYSZRVHXVVHPT-SFHVURJKSA-N -1 3 372.446 2.562 20 30 FFEDHM Cn1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC(C)(C)C)cn1 ZINC001322096974 1045952677 /nfs/dbraw/zinc/95/26/77/1045952677.db2.gz IGEFNGBCHZHRDR-UHFFFAOYSA-N -1 3 371.466 2.943 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccc([O-])c(F)c2)ccc1N1CCC(O)CC1 ZINC001325165197 1046400243 /nfs/dbraw/zinc/40/02/43/1046400243.db2.gz HEGHEWSUIOLMJN-UHFFFAOYSA-N -1 3 369.396 2.545 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OCC ZINC001325376218 1046489135 /nfs/dbraw/zinc/48/91/35/1046489135.db2.gz OMNNGMYQNBSYKO-ZDUSSCGKSA-N -1 3 366.266 2.921 20 30 FFEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn(C=C)c1 ZINC001326527132 1046968480 /nfs/dbraw/zinc/96/84/80/1046968480.db2.gz NFAFUSGJSHNWQL-UHFFFAOYSA-N -1 3 367.434 2.894 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1 ZINC001327573853 1047952917 /nfs/dbraw/zinc/95/29/17/1047952917.db2.gz PUAIUSOMXSGGTD-CYBMUJFWSA-N -1 3 369.462 2.695 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001339854130 1050271547 /nfs/dbraw/zinc/27/15/47/1050271547.db2.gz JOGJYJZTZFIEIP-LSDHHAIUSA-N -1 3 354.458 2.952 20 30 FFEDHM C=CCC1(O)CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001341902271 1050502200 /nfs/dbraw/zinc/50/22/00/1050502200.db2.gz POEGUFSSUMMIGR-UHFFFAOYSA-N -1 3 371.466 2.705 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001342088741 1050684232 /nfs/dbraw/zinc/68/42/32/1050684232.db2.gz RCVPLYJDGARIBE-GJZGRUSLSA-N -1 3 373.457 2.858 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)CCc1ccccc1OC ZINC001342197496 1050788957 /nfs/dbraw/zinc/78/89/57/1050788957.db2.gz JJYKFOFSAPUUNC-UHFFFAOYSA-N -1 3 355.398 2.512 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001342197330 1050789771 /nfs/dbraw/zinc/78/97/71/1050789771.db2.gz GXLXMRLYYNFIAT-CZUORRHYSA-N -1 3 367.409 2.791 20 30 FFEDHM C=CCN(C)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CCc1ccccc1 ZINC001342348366 1050943292 /nfs/dbraw/zinc/94/32/92/1050943292.db2.gz LOCFZMMPKDQXTK-UHFFFAOYSA-N -1 3 350.426 2.614 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001340714831 1051075981 /nfs/dbraw/zinc/07/59/81/1051075981.db2.gz DDNARUUTZOGZSF-OAHLLOKOSA-N -1 3 354.458 2.952 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)/C=C/Cl)ccc1F ZINC001303793967 1051449204 /nfs/dbraw/zinc/44/92/04/1051449204.db2.gz FRQTYRDFAFPRIS-BQYQJAHWSA-N -1 3 360.838 2.551 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001343404723 1052209828 /nfs/dbraw/zinc/20/98/28/1052209828.db2.gz KZYFEJTUZYCILO-CQSZACIVSA-N -1 3 366.425 2.912 20 30 FFEDHM C#CCOc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001309192880 1052571047 /nfs/dbraw/zinc/57/10/47/1052571047.db2.gz BZKZZNYXHKXDPV-UHFFFAOYSA-N -1 3 351.374 2.764 20 30 FFEDHM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3ncc(Cl)n3C)cnc21 ZINC001346095359 1052745264 /nfs/dbraw/zinc/74/52/64/1052745264.db2.gz CURUQLUDEFZBRK-ZDUSSCGKSA-N -1 3 356.817 2.964 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c(Cl)c1 ZINC001346248956 1052803763 /nfs/dbraw/zinc/80/37/63/1052803763.db2.gz YVBMQQOBHQZSNH-ZYHUDNBSSA-N -1 3 356.831 2.951 20 30 FFEDHM CC(C)CN(CCC#N)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001336307311 1053913059 /nfs/dbraw/zinc/91/30/59/1053913059.db2.gz LGWSUFGFBHEFPK-UHFFFAOYSA-N -1 3 357.863 2.723 20 30 FFEDHM C#C[C@@H]1CCCCN1c1nnc(-c2cnc[n-]c2=O)n1Cc1cccs1 ZINC001348447215 1054701012 /nfs/dbraw/zinc/70/10/12/1054701012.db2.gz DZQFDBGNKJFBSF-CYBMUJFWSA-N -1 3 366.450 2.543 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(Cc1ccc(C)nc1)CC1CC1 ZINC001351790569 1055002047 /nfs/dbraw/zinc/00/20/47/1055002047.db2.gz USLMFRQFGUUOCY-UHFFFAOYSA-N -1 3 366.425 2.945 20 30 FFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(C)cc1 ZINC001349552532 1055335325 /nfs/dbraw/zinc/33/53/25/1055335325.db2.gz BHFWTGBYAXWLIX-ZDUSSCGKSA-N -1 3 364.448 2.511 20 30 FFEDHM CCn1ccnc1C(C#N)=C([O-])c1cnn(C(C)C)c1Br ZINC001349701690 1055421940 /nfs/dbraw/zinc/42/19/40/1055421940.db2.gz IXEQCLOHZDBYEO-JTQLQIEISA-N -1 3 350.220 2.933 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001339214302 1056212329 /nfs/dbraw/zinc/21/23/29/1056212329.db2.gz IGDOBMDJNZGAMV-ZWKOTPCHSA-N -1 3 357.454 2.768 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001339659062 1056683414 /nfs/dbraw/zinc/68/34/14/1056683414.db2.gz WWUFBOUJMUNEAE-UHFFFAOYSA-N -1 3 355.373 2.835 20 30 FFEDHM COC(=O)c1ccc2c(c1)[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)CCC2 ZINC000849170165 1056789140 /nfs/dbraw/zinc/78/91/40/1056789140.db2.gz LSNKSEUSOOAPOW-CNPYVQQSSA-N -1 3 368.433 2.914 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnn(C(C)(C)C)c1 ZINC000849663440 1056963250 /nfs/dbraw/zinc/96/32/50/1056963250.db2.gz UKBFKBBJTKTXSL-UHFFFAOYSA-N -1 3 356.426 2.903 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC001518677841 1058457474 /nfs/dbraw/zinc/45/74/74/1058457474.db2.gz JSWOPFIQNPYIMC-RUZDIDTESA-N -1 3 359.451 2.971 20 30 FFEDHM CN(c1nnc(-c2nn(-c3ccccc3)cc2[O-])n1C)[C@@H]1CCC[C@H]1C#N ZINC001519523324 1058798583 /nfs/dbraw/zinc/79/85/83/1058798583.db2.gz HRJPNOLOLZSRDD-DZGCQCFKSA-N -1 3 363.425 2.502 20 30 FFEDHM Cc1ccc(Oc2ccccc2CC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848132186 1059098818 /nfs/dbraw/zinc/09/88/18/1059098818.db2.gz OULCBNOIUFQNEU-KRWDZBQOSA-N -1 3 354.406 2.826 20 30 FFEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCO[C@@H](C)C1 ZINC001520615495 1059875492 /nfs/dbraw/zinc/87/54/92/1059875492.db2.gz KPFHYAAMUOPYJF-ZDUSSCGKSA-N -1 3 362.861 2.833 20 30 FFEDHM COc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1S(C)(=O)=O ZINC001457993922 1060486000 /nfs/dbraw/zinc/48/60/00/1060486000.db2.gz NWWDIYOXEVCCSZ-UHFFFAOYSA-N -1 3 369.826 2.784 20 30 FFEDHM O=C(c1cc(Cl)cs1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458004306 1060487577 /nfs/dbraw/zinc/48/75/77/1060487577.db2.gz RPNYHMVAGFIIRO-UHFFFAOYSA-N -1 3 364.810 2.919 20 30 FFEDHM CCCCCCN([O-])C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC001458009804 1060490558 /nfs/dbraw/zinc/49/05/58/1060490558.db2.gz GNFUEKFNLSLIQF-UHFFFAOYSA-N -1 3 361.236 2.912 20 30 FFEDHM Cc1nsc([N-]C(=O)c2cn(-c3cccc(Cl)c3F)nn2)c1C#N ZINC001459424578 1060758235 /nfs/dbraw/zinc/75/82/35/1060758235.db2.gz LFWGSWPJKBJXDX-UHFFFAOYSA-N -1 3 362.777 2.949 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(CCOC)CC1 ZINC001355958267 1060763259 /nfs/dbraw/zinc/76/32/59/1060763259.db2.gz NIOZGBWPOOCHNS-UHFFFAOYSA-N -1 3 372.473 2.578 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)c1ccccc1 ZINC001475430004 1061086715 /nfs/dbraw/zinc/08/67/15/1061086715.db2.gz MRTZUKXYCIANCZ-NSHDSACASA-N -1 3 369.215 2.636 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001476141739 1061355635 /nfs/dbraw/zinc/35/56/35/1061355635.db2.gz JDNQAWNZQIVSFR-CHWSQXEVSA-N -1 3 359.455 2.572 20 30 FFEDHM C[C@@H](Oc1cccnc1NC(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC001476450311 1061415344 /nfs/dbraw/zinc/41/53/44/1061415344.db2.gz QDKLLOFHNHYPMI-HIFRSBDPSA-N -1 3 370.409 2.723 20 30 FFEDHM C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001522396375 1062105727 /nfs/dbraw/zinc/10/57/27/1062105727.db2.gz IFOMMAVNDMQHAD-BTYIYWSLSA-N -1 3 356.466 2.963 20 30 FFEDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC001463925091 1062336062 /nfs/dbraw/zinc/33/60/62/1062336062.db2.gz NJVOBPSMGLTUMA-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(C(F)(F)F)cc1 ZINC001464718371 1062780375 /nfs/dbraw/zinc/78/03/75/1062780375.db2.gz IYTYFHFOQLBOCD-ZDUSSCGKSA-N -1 3 365.373 2.805 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H](C)CCC)ccc1F ZINC001533847026 1063425504 /nfs/dbraw/zinc/42/55/04/1063425504.db2.gz LSMHDSVCJWJZQE-ZDUSSCGKSA-N -1 3 356.463 2.846 20 30 FFEDHM O=C(CN1CCCC2(CC2)S1(=O)=O)N([O-])Cc1cccc2ccccc21 ZINC001472623229 1065114042 /nfs/dbraw/zinc/11/40/42/1065114042.db2.gz XZVYBGVGFYAINM-UHFFFAOYSA-N -1 3 374.462 2.516 20 30 FFEDHM C[C@@H](CSc1ccccc1)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001473616350 1065298080 /nfs/dbraw/zinc/29/80/80/1065298080.db2.gz PIPUKAMKKQJFHW-ZDUSSCGKSA-N -1 3 353.451 2.919 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001579876847 1078704261 /nfs/dbraw/zinc/70/42/61/1078704261.db2.gz MZAFHIYXJWDJFS-UHFFFAOYSA-N -1 3 366.356 2.575 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001579876847 1078704269 /nfs/dbraw/zinc/70/42/69/1078704269.db2.gz MZAFHIYXJWDJFS-UHFFFAOYSA-N -1 3 366.356 2.575 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC001579967154 1078724907 /nfs/dbraw/zinc/72/49/07/1078724907.db2.gz PBEOZKSYKUAABS-HNNXBMFYSA-N -1 3 362.393 2.586 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC001579967154 1078724915 /nfs/dbraw/zinc/72/49/15/1078724915.db2.gz PBEOZKSYKUAABS-HNNXBMFYSA-N -1 3 362.393 2.586 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCc1c(F)cccc1F ZINC001581863445 1079009006 /nfs/dbraw/zinc/00/90/06/1079009006.db2.gz PJZMYQVGYKLVJV-UHFFFAOYSA-N -1 3 373.392 2.719 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCc1c(F)cccc1F ZINC001581863445 1079009012 /nfs/dbraw/zinc/00/90/12/1079009012.db2.gz PJZMYQVGYKLVJV-UHFFFAOYSA-N -1 3 373.392 2.719 20 30 FFEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cncc(C(F)F)c1 ZINC001581857141 1079009860 /nfs/dbraw/zinc/00/98/60/1079009860.db2.gz QTCLVIJMDCHOPV-GFCCVEGCSA-N -1 3 369.335 2.520 20 30 FFEDHM N#Cc1cccc(C(=O)N[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC001581875052 1079012096 /nfs/dbraw/zinc/01/20/96/1079012096.db2.gz TZWPGDYPMTXAEW-AWEZNQCLSA-N -1 3 372.310 2.772 20 30 FFEDHM N#Cc1cccc(C(=O)N[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC001581875052 1079012103 /nfs/dbraw/zinc/01/21/03/1079012103.db2.gz TZWPGDYPMTXAEW-AWEZNQCLSA-N -1 3 372.310 2.772 20 30 FFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ccc(C#N)cn2)s1 ZINC001556893810 1075785952 /nfs/dbraw/zinc/78/59/52/1075785952.db2.gz MDFHWHGJEAINJP-UHFFFAOYSA-N -1 3 359.411 2.687 20 30 FFEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001559035296 1076118170 /nfs/dbraw/zinc/11/81/70/1076118170.db2.gz KUKWZWDLZPBXRZ-LLVKDONJSA-N -1 3 355.232 2.820 20 30 FFEDHM O=C([C@@H]1C[C@@H]1C1CCCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001559033063 1076118254 /nfs/dbraw/zinc/11/82/54/1076118254.db2.gz ULKGNDYYYDGBRS-IAGOWNOFSA-N -1 3 356.422 2.717 20 30 FFEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1sccc1C#N ZINC001573903709 1077841236 /nfs/dbraw/zinc/84/12/36/1077841236.db2.gz BZPBZSAONSKLIX-UHFFFAOYSA-N -1 3 352.423 2.551 20 30 FFEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1sccc1C#N ZINC001573903709 1077841241 /nfs/dbraw/zinc/84/12/41/1077841241.db2.gz BZPBZSAONSKLIX-UHFFFAOYSA-N -1 3 352.423 2.551 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc2cnccc2o1 ZINC001587996747 1079908600 /nfs/dbraw/zinc/90/86/00/1079908600.db2.gz LAGLGXGUZDNNHI-UHFFFAOYSA-N -1 3 350.378 2.666 20 30 FFEDHM C#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001588328272 1079983698 /nfs/dbraw/zinc/98/36/98/1079983698.db2.gz CQLSWIAWGAFVEY-LBPRGKRZSA-N -1 3 361.789 2.825 20 30 FFEDHM C#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001588328272 1079983703 /nfs/dbraw/zinc/98/37/03/1079983703.db2.gz CQLSWIAWGAFVEY-LBPRGKRZSA-N -1 3 361.789 2.825 20 30 FFEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1OC)c1ccc(Cl)cc1 ZINC001588329321 1079985625 /nfs/dbraw/zinc/98/56/25/1079985625.db2.gz DDYAKUDRLLJFQT-HNNXBMFYSA-N -1 3 367.796 2.633 20 30 FFEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1OC)c1ccc(Cl)cc1 ZINC001588329321 1079985627 /nfs/dbraw/zinc/98/56/27/1079985627.db2.gz DDYAKUDRLLJFQT-HNNXBMFYSA-N -1 3 367.796 2.633 20 30 FFEDHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1OC)c1ccc(Cl)cc1 ZINC001588329322 1079986011 /nfs/dbraw/zinc/98/60/11/1079986011.db2.gz DDYAKUDRLLJFQT-OAHLLOKOSA-N -1 3 367.796 2.633 20 30 FFEDHM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1OC)c1ccc(Cl)cc1 ZINC001588329322 1079986015 /nfs/dbraw/zinc/98/60/15/1079986015.db2.gz DDYAKUDRLLJFQT-OAHLLOKOSA-N -1 3 367.796 2.633 20 30 FFEDHM C#CCC(C)(C)C(=O)O[C@@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001588331059 1079986812 /nfs/dbraw/zinc/98/68/12/1079986812.db2.gz NTNAIIPOPZYPHY-CQSZACIVSA-N -1 3 371.416 2.567 20 30 FFEDHM C#CCC(C)(C)C(=O)O[C@@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001588331059 1079986818 /nfs/dbraw/zinc/98/68/18/1079986818.db2.gz NTNAIIPOPZYPHY-CQSZACIVSA-N -1 3 371.416 2.567 20 30 FFEDHM C#C[C@@H]1CCCN(c2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)C1 ZINC001588331687 1079987367 /nfs/dbraw/zinc/98/73/67/1079987367.db2.gz CHPCJBQKDFCPET-CQSZACIVSA-N -1 3 357.421 2.826 20 30 FFEDHM C#C[C@@H]1CCCN(c2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)C1 ZINC001588331687 1079987374 /nfs/dbraw/zinc/98/73/74/1079987374.db2.gz CHPCJBQKDFCPET-CQSZACIVSA-N -1 3 357.421 2.826 20 30 FFEDHM C#CCCc1noc(-c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC001588347306 1079990377 /nfs/dbraw/zinc/99/03/77/1079990377.db2.gz NLQUUKMUZIKPHS-UHFFFAOYSA-N -1 3 359.349 2.670 20 30 FFEDHM C#CCCc1noc(-c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC001588347306 1079990381 /nfs/dbraw/zinc/99/03/81/1079990381.db2.gz NLQUUKMUZIKPHS-UHFFFAOYSA-N -1 3 359.349 2.670 20 30 FFEDHM C#CCCCCCOC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588346078 1079990513 /nfs/dbraw/zinc/99/05/13/1079990513.db2.gz WCVFCQPRZYXWJN-UHFFFAOYSA-N -1 3 364.409 2.711 20 30 FFEDHM C#CCCCCCOC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588346078 1079990517 /nfs/dbraw/zinc/99/05/17/1079990517.db2.gz WCVFCQPRZYXWJN-UHFFFAOYSA-N -1 3 364.409 2.711 20 30 FFEDHM C#CCN(C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)C1CCCCC1 ZINC001588348155 1079992107 /nfs/dbraw/zinc/99/21/07/1079992107.db2.gz JTEIGRKRTCGIEK-UHFFFAOYSA-N -1 3 351.454 2.821 20 30 FFEDHM C#CCN(C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)C1CCCCC1 ZINC001588348155 1079992109 /nfs/dbraw/zinc/99/21/09/1079992109.db2.gz JTEIGRKRTCGIEK-UHFFFAOYSA-N -1 3 351.454 2.821 20 30 FFEDHM C#CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCC(C)C ZINC001588349912 1079992675 /nfs/dbraw/zinc/99/26/75/1079992675.db2.gz RFITVUUYUAVRFJ-UHFFFAOYSA-N -1 3 364.457 2.631 20 30 FFEDHM C#CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCC(C)C ZINC001588349912 1079992678 /nfs/dbraw/zinc/99/26/78/1079992678.db2.gz RFITVUUYUAVRFJ-UHFFFAOYSA-N -1 3 364.457 2.631 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588393109 1080004326 /nfs/dbraw/zinc/00/43/26/1080004326.db2.gz NJPAVJPCRPXHLK-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588393109 1080004337 /nfs/dbraw/zinc/00/43/37/1080004337.db2.gz NJPAVJPCRPXHLK-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588393113 1080004905 /nfs/dbraw/zinc/00/49/05/1080004905.db2.gz NJPAVJPCRPXHLK-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588393113 1080004910 /nfs/dbraw/zinc/00/49/10/1080004910.db2.gz NJPAVJPCRPXHLK-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1)OCC ZINC001588400705 1080010740 /nfs/dbraw/zinc/01/07/40/1080010740.db2.gz DTLLCHLPAOZHFD-INIZCTEOSA-N -1 3 356.430 2.751 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588411797 1080015424 /nfs/dbraw/zinc/01/54/24/1080015424.db2.gz KGDMLGHRDRXLID-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588411797 1080015432 /nfs/dbraw/zinc/01/54/32/1080015432.db2.gz KGDMLGHRDRXLID-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001588411991 1080016498 /nfs/dbraw/zinc/01/64/98/1080016498.db2.gz OUXDETUCJNNNJV-HNNXBMFYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001588411991 1080016505 /nfs/dbraw/zinc/01/65/05/1080016505.db2.gz OUXDETUCJNNNJV-HNNXBMFYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@H](C)SCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588425760 1080022798 /nfs/dbraw/zinc/02/27/98/1080022798.db2.gz SQICAQGAJNZBBE-AWEZNQCLSA-N -1 3 359.499 2.956 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@H](C)SCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588425760 1080022808 /nfs/dbraw/zinc/02/28/08/1080022808.db2.gz SQICAQGAJNZBBE-AWEZNQCLSA-N -1 3 359.499 2.956 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588455774 1080033420 /nfs/dbraw/zinc/03/34/20/1080033420.db2.gz CYHPCCZSIUSXOD-HLLBOEOZSA-N -1 3 350.426 2.747 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588455774 1080033430 /nfs/dbraw/zinc/03/34/30/1080033430.db2.gz CYHPCCZSIUSXOD-HLLBOEOZSA-N -1 3 350.426 2.747 20 30 FFEDHM C=C1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)C1 ZINC001588462538 1080036673 /nfs/dbraw/zinc/03/66/73/1080036673.db2.gz JZDOEVQIWIWBKS-UHFFFAOYSA-N -1 3 372.860 2.525 20 30 FFEDHM C=C1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)C1 ZINC001588462538 1080036683 /nfs/dbraw/zinc/03/66/83/1080036683.db2.gz JZDOEVQIWIWBKS-UHFFFAOYSA-N -1 3 372.860 2.525 20 30 FFEDHM C=CCOc1c(Cl)cc(CN2CC[C@@](COC)(C(=O)[O-])C2)cc1OC ZINC001588466523 1080039314 /nfs/dbraw/zinc/03/93/14/1080039314.db2.gz XIHFTAHZEORRMJ-GOSISDBHSA-N -1 3 369.845 2.837 20 30 FFEDHM C=CC(C)(C)CC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588487026 1080050734 /nfs/dbraw/zinc/05/07/34/1080050734.db2.gz OCXVPQIQHLTQFC-UHFFFAOYSA-N -1 3 351.414 2.652 20 30 FFEDHM C=CC(C)(C)CC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588487026 1080050740 /nfs/dbraw/zinc/05/07/40/1080050740.db2.gz OCXVPQIQHLTQFC-UHFFFAOYSA-N -1 3 351.414 2.652 20 30 FFEDHM C=C[C@@H](CC(=O)N1CC(=O)Nc2ccc(-c3nnn[n-]3)cc21)c1ccccc1 ZINC001588518826 1080069282 /nfs/dbraw/zinc/06/92/82/1080069282.db2.gz LWAHMEBHYGFCOV-ZDUSSCGKSA-N -1 3 374.404 2.512 20 30 FFEDHM C=C[C@@H](CC(=O)N1CC(=O)Nc2ccc(-c3nn[n-]n3)cc21)c1ccccc1 ZINC001588518826 1080069292 /nfs/dbraw/zinc/06/92/92/1080069292.db2.gz LWAHMEBHYGFCOV-ZDUSSCGKSA-N -1 3 374.404 2.512 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588521219 1080072776 /nfs/dbraw/zinc/07/27/76/1080072776.db2.gz JUTUVAUXXPBLNM-ORAYPTAESA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588521219 1080072782 /nfs/dbraw/zinc/07/27/82/1080072782.db2.gz JUTUVAUXXPBLNM-ORAYPTAESA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588520959 1080073073 /nfs/dbraw/zinc/07/30/73/1080073073.db2.gz HDMGTLYTFXBNCM-ZIAGYGMSSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588520959 1080073080 /nfs/dbraw/zinc/07/30/80/1080073080.db2.gz HDMGTLYTFXBNCM-ZIAGYGMSSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588532648 1080081432 /nfs/dbraw/zinc/08/14/32/1080081432.db2.gz BPOWGJFSBAEQTI-ZDUSSCGKSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC001588532914 1080083878 /nfs/dbraw/zinc/08/38/78/1080083878.db2.gz JGFWODCQEXHYHT-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC001588532914 1080083888 /nfs/dbraw/zinc/08/38/88/1080083888.db2.gz JGFWODCQEXHYHT-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(F)(F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC001588545257 1080088492 /nfs/dbraw/zinc/08/84/92/1080088492.db2.gz CMLWMVPGNLIFAJ-UHFFFAOYSA-N -1 3 373.157 2.884 20 30 FFEDHM C=CCC(F)(F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC001588545257 1080088496 /nfs/dbraw/zinc/08/84/96/1080088496.db2.gz CMLWMVPGNLIFAJ-UHFFFAOYSA-N -1 3 373.157 2.884 20 30 FFEDHM C=CCC1(C(=O)N2CC[C@@H](N(C)c3cccc(-c4nnn[n-]4)c3)C2)CCC1 ZINC001588549768 1080092607 /nfs/dbraw/zinc/09/26/07/1080092607.db2.gz XKFQCEOJBKHXBX-QGZVFWFLSA-N -1 3 366.469 2.650 20 30 FFEDHM C=CCC1(C(=O)N2CC[C@@H](N(C)c3cccc(-c4nn[n-]n4)c3)C2)CCC1 ZINC001588549768 1080092614 /nfs/dbraw/zinc/09/26/14/1080092614.db2.gz XKFQCEOJBKHXBX-QGZVFWFLSA-N -1 3 366.469 2.650 20 30 FFEDHM C=CCC1(NC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCOCC1 ZINC001588557578 1080094287 /nfs/dbraw/zinc/09/42/87/1080094287.db2.gz PSDQBAGILZJNDB-UHFFFAOYSA-N -1 3 373.461 2.670 20 30 FFEDHM C=CCC1(NC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCOCC1 ZINC001588557578 1080094295 /nfs/dbraw/zinc/09/42/95/1080094295.db2.gz PSDQBAGILZJNDB-UHFFFAOYSA-N -1 3 373.461 2.670 20 30 FFEDHM C=CCC1(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588556815 1080095055 /nfs/dbraw/zinc/09/50/55/1080095055.db2.gz UKEULEOXQFCFIA-AWEZNQCLSA-N -1 3 372.425 2.550 20 30 FFEDHM C=CCC1(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588556815 1080095064 /nfs/dbraw/zinc/09/50/64/1080095064.db2.gz UKEULEOXQFCFIA-AWEZNQCLSA-N -1 3 372.425 2.550 20 30 FFEDHM C=CCCC(=O)NC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCCCC1 ZINC001588571342 1080102990 /nfs/dbraw/zinc/10/29/90/1080102990.db2.gz KFCABBVAVJFEFS-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C=CCCC(=O)NC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCCCC1 ZINC001588571342 1080102999 /nfs/dbraw/zinc/10/29/99/1080102999.db2.gz KFCABBVAVJFEFS-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588570975 1080103252 /nfs/dbraw/zinc/10/32/52/1080103252.db2.gz SNQHFABOLNCRKT-GDBMZVCRSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588570975 1080103256 /nfs/dbraw/zinc/10/32/56/1080103256.db2.gz SNQHFABOLNCRKT-GDBMZVCRSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588587233 1080111458 /nfs/dbraw/zinc/11/14/58/1080111458.db2.gz RRMPMZVTLRGKIQ-GJZGRUSLSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588587233 1080111462 /nfs/dbraw/zinc/11/14/62/1080111462.db2.gz RRMPMZVTLRGKIQ-GJZGRUSLSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCSCCNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588618204 1080123787 /nfs/dbraw/zinc/12/37/87/1080123787.db2.gz YXVFOPXRAUVDCY-UHFFFAOYSA-N -1 3 354.386 2.576 20 30 FFEDHM C=CCCSCCNC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588618204 1080123789 /nfs/dbraw/zinc/12/37/89/1080123789.db2.gz YXVFOPXRAUVDCY-UHFFFAOYSA-N -1 3 354.386 2.576 20 30 FFEDHM C=CCN(CC(=O)Nc1cccc(C)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588627674 1080127011 /nfs/dbraw/zinc/12/70/11/1080127011.db2.gz FOWMHTLBJFJRES-UHFFFAOYSA-N -1 3 362.437 2.802 20 30 FFEDHM C=CCN(CC(=O)Nc1cccc(C)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588627674 1080127016 /nfs/dbraw/zinc/12/70/16/1080127016.db2.gz FOWMHTLBJFJRES-UHFFFAOYSA-N -1 3 362.437 2.802 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC1CCOCC1 ZINC001588640060 1080133563 /nfs/dbraw/zinc/13/35/63/1080133563.db2.gz JCJYWHLVFQHOLG-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCC1CCOCC1 ZINC001588640060 1080133568 /nfs/dbraw/zinc/13/35/68/1080133568.db2.gz JCJYWHLVFQHOLG-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC001588641315 1080134944 /nfs/dbraw/zinc/13/49/44/1080134944.db2.gz BWMVZPNUWPNEGZ-DLBZAZTESA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@H](CC)C1 ZINC001588641315 1080134948 /nfs/dbraw/zinc/13/49/48/1080134948.db2.gz BWMVZPNUWPNEGZ-DLBZAZTESA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)CCC#N ZINC001588642443 1080135763 /nfs/dbraw/zinc/13/57/63/1080135763.db2.gz ZLSYCUROASSBCN-UHFFFAOYSA-N -1 3 367.457 2.894 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)CCC#N ZINC001588642443 1080135768 /nfs/dbraw/zinc/13/57/68/1080135768.db2.gz ZLSYCUROASSBCN-UHFFFAOYSA-N -1 3 367.457 2.894 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588652289 1080142087 /nfs/dbraw/zinc/14/20/87/1080142087.db2.gz RRTIPYPPEMGTRV-UHFFFAOYSA-N -1 3 373.420 2.636 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588652289 1080142091 /nfs/dbraw/zinc/14/20/91/1080142091.db2.gz RRTIPYPPEMGTRV-UHFFFAOYSA-N -1 3 373.420 2.636 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588653438 1080143335 /nfs/dbraw/zinc/14/33/35/1080143335.db2.gz IABLOCWRCMEPHD-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1sccc1-c1nnn[n-]1 ZINC001588653448 1080143554 /nfs/dbraw/zinc/14/35/54/1080143554.db2.gz IDPNTAIMKPJHMO-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1sccc1-c1nn[n-]n1 ZINC001588653448 1080143560 /nfs/dbraw/zinc/14/35/60/1080143560.db2.gz IDPNTAIMKPJHMO-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM CC#CCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001588745687 1080178991 /nfs/dbraw/zinc/17/89/91/1080178991.db2.gz BDOZLVNQLNUROV-UHFFFAOYSA-N -1 3 363.381 2.589 20 30 FFEDHM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1c(C)nc2sccn21 ZINC001588777257 1080191831 /nfs/dbraw/zinc/19/18/31/1080191831.db2.gz JZFANMASQRGEHT-UHFFFAOYSA-N -1 3 373.833 2.769 20 30 FFEDHM C=CCCC[C@H](N)C(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001588784895 1080195681 /nfs/dbraw/zinc/19/56/81/1080195681.db2.gz DAVVEJRUZYVNKR-VIFPVBQESA-N -1 3 373.272 2.735 20 30 FFEDHM COc1ccc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1C#N ZINC001588914805 1080261811 /nfs/dbraw/zinc/26/18/11/1080261811.db2.gz UWRZFOJYPMWPCF-UHFFFAOYSA-N -1 3 367.792 2.992 20 30 FFEDHM CC(C)(CC#N)CNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001589267279 1080454781 /nfs/dbraw/zinc/45/47/81/1080454781.db2.gz NFZIMPJXVZCIAJ-UHFFFAOYSA-N -1 3 352.442 2.735 20 30 FFEDHM CC(C)(CC#N)CNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001589267279 1080454786 /nfs/dbraw/zinc/45/47/86/1080454786.db2.gz NFZIMPJXVZCIAJ-UHFFFAOYSA-N -1 3 352.442 2.735 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC001589463704 1080545514 /nfs/dbraw/zinc/54/55/14/1080545514.db2.gz JVJLPCNSCDMDSO-SMDDNHRTSA-N -1 3 366.377 2.649 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589600365 1080629809 /nfs/dbraw/zinc/62/98/09/1080629809.db2.gz DEMVRIPSWZEOIE-OAHLLOKOSA-N -1 3 354.458 2.834 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589600365 1080629811 /nfs/dbraw/zinc/62/98/11/1080629811.db2.gz DEMVRIPSWZEOIE-OAHLLOKOSA-N -1 3 354.458 2.834 20 30 FFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589794360 1080747617 /nfs/dbraw/zinc/74/76/17/1080747617.db2.gz AMFZRRPDOODJAA-BBRMVZONSA-N -1 3 368.441 2.707 20 30 FFEDHM C[C@@H](CCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001589821153 1080773862 /nfs/dbraw/zinc/77/38/62/1080773862.db2.gz WWYQRWRQWFYZOV-HNAYVOBHSA-N -1 3 374.448 2.859 20 30 FFEDHM C[C@@H](NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(C#N)c1 ZINC001589916665 1080857902 /nfs/dbraw/zinc/85/79/02/1080857902.db2.gz AQUQPBHUGLTILF-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1)c1cccc(C#N)c1 ZINC001589916665 1080857905 /nfs/dbraw/zinc/85/79/05/1080857905.db2.gz AQUQPBHUGLTILF-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC001590054487 1080982804 /nfs/dbraw/zinc/98/28/04/1080982804.db2.gz KUIJGEXJVVHJSF-OAHLLOKOSA-N -1 3 365.224 2.939 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC001590054487 1080982808 /nfs/dbraw/zinc/98/28/08/1080982808.db2.gz KUIJGEXJVVHJSF-OAHLLOKOSA-N -1 3 365.224 2.939 20 30 FFEDHM C[C@@H]1CCC[C@@H](CCNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590245321 1081118842 /nfs/dbraw/zinc/11/88/42/1081118842.db2.gz ZVRRDHRXVNKXCV-VKJFTORMSA-N -1 3 366.469 2.882 20 30 FFEDHM C[C@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC001590263197 1081131322 /nfs/dbraw/zinc/13/13/22/1081131322.db2.gz KFLCSCVXXPTZIQ-YOEHRIQHSA-N -1 3 364.453 2.588 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1c1ncon1 ZINC000273316078 252280068 /nfs/dbraw/zinc/28/00/68/252280068.db2.gz YDOUQINRARQZQC-INIZCTEOSA-N -1 3 369.425 2.735 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290729308 257355012 /nfs/dbraw/zinc/35/50/12/257355012.db2.gz NXMXABNFUAKNAS-AWEZNQCLSA-N -1 3 373.844 2.532 20 30 FFEDHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000331070799 258176628 /nfs/dbraw/zinc/17/66/28/258176628.db2.gz RYAAAFKRYIBYEA-MLGOLLRUSA-N -1 3 370.858 2.612 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)cc1C#N ZINC000331150663 258178267 /nfs/dbraw/zinc/17/82/67/258178267.db2.gz OHXREYXQNXKYHW-RISCZKNCSA-N -1 3 361.389 2.909 20 30 FFEDHM COc1ccc(OC)c(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000007210219 506543313 /nfs/dbraw/zinc/54/33/13/506543313.db2.gz UALBATJFHPJGRY-UHFFFAOYSA-N -1 3 370.405 2.557 20 30 FFEDHM CC1CCC(N2C[C@@H](C(=O)Nc3nnc(-c4ccccn4)[n-]3)CC2=O)CC1 ZINC000066827432 506654887 /nfs/dbraw/zinc/65/48/87/506654887.db2.gz WDEXKWBYVMSXSW-MOKVOYLWSA-N -1 3 368.441 2.882 20 30 FFEDHM CC1CCC(N2C[C@@H](C(=O)Nc3nc(-c4ccccn4)n[n-]3)CC2=O)CC1 ZINC000066827432 506654896 /nfs/dbraw/zinc/65/48/96/506654896.db2.gz WDEXKWBYVMSXSW-MOKVOYLWSA-N -1 3 368.441 2.882 20 30 FFEDHM CC1CCC(N2C[C@@H](C(=O)Nc3n[n-]c(-c4ccccn4)n3)CC2=O)CC1 ZINC000066827432 506654903 /nfs/dbraw/zinc/65/49/03/506654903.db2.gz WDEXKWBYVMSXSW-MOKVOYLWSA-N -1 3 368.441 2.882 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccccn1 ZINC000055518273 506767117 /nfs/dbraw/zinc/76/71/17/506767117.db2.gz YDQNMIDTICMUOP-GOSISDBHSA-N -1 3 350.422 2.555 20 30 FFEDHM CCCOc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000046181063 507094317 /nfs/dbraw/zinc/09/43/17/507094317.db2.gz MGMJKWNVYNKDRH-UHFFFAOYSA-N -1 3 367.449 2.901 20 30 FFEDHM CC(C)CCN(CCC#N)Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000072692111 507842985 /nfs/dbraw/zinc/84/29/85/507842985.db2.gz OWZKUUAQXSLWBK-UHFFFAOYSA-N -1 3 364.453 2.871 20 30 FFEDHM Cc1cccc(CC2CN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000085459930 508309941 /nfs/dbraw/zinc/30/99/41/508309941.db2.gz DXWWZBSEICGVMW-UHFFFAOYSA-N -1 3 363.461 2.806 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000127582266 508472115 /nfs/dbraw/zinc/47/21/15/508472115.db2.gz DFYCVRCVEAVOFV-ZFWWWQNUSA-N -1 3 372.899 2.545 20 30 FFEDHM O=C(c1ccc([O-])cc1)N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000157536598 508578524 /nfs/dbraw/zinc/57/85/24/508578524.db2.gz AKKBUIWSGVSNCG-UHFFFAOYSA-N -1 3 354.837 2.855 20 30 FFEDHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000123810491 508742172 /nfs/dbraw/zinc/74/21/72/508742172.db2.gz FYORVMJMDWEHFN-NSHDSACASA-N -1 3 364.389 2.654 20 30 FFEDHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000119238162 508754561 /nfs/dbraw/zinc/75/45/61/508754561.db2.gz RSAGMARCSMCCGZ-YGRLFVJLSA-N -1 3 364.389 2.652 20 30 FFEDHM COCCS(=O)(=O)[N-]c1ccccc1COc1ccc(CC#N)cc1 ZINC000154354254 508766977 /nfs/dbraw/zinc/76/69/77/508766977.db2.gz ZRCPAFZDTXUMSK-UHFFFAOYSA-N -1 3 360.435 2.720 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000124330750 508816545 /nfs/dbraw/zinc/81/65/45/508816545.db2.gz FYJTWSVGYPBPDH-CABCVRRESA-N -1 3 364.858 2.870 20 30 FFEDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000147474889 508857764 /nfs/dbraw/zinc/85/77/64/508857764.db2.gz IJVOIOFYYPCAJG-UHFFFAOYSA-N -1 3 359.329 2.660 20 30 FFEDHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000124726271 508875639 /nfs/dbraw/zinc/87/56/39/508875639.db2.gz VWVSDTQATWRWGS-BBRMVZONSA-N -1 3 362.426 2.530 20 30 FFEDHM CN(CCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000151095709 508955962 /nfs/dbraw/zinc/95/59/62/508955962.db2.gz SWPVIWRJFKBHJW-UHFFFAOYSA-N -1 3 361.442 2.892 20 30 FFEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(SCCO)[n-]1 ZINC000120702707 509048635 /nfs/dbraw/zinc/04/86/35/509048635.db2.gz AXCVBYCLWXGSNJ-UHFFFAOYSA-N -1 3 365.418 2.680 20 30 FFEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(SCCO)n[n-]1 ZINC000120702707 509048636 /nfs/dbraw/zinc/04/86/36/509048636.db2.gz AXCVBYCLWXGSNJ-UHFFFAOYSA-N -1 3 365.418 2.680 20 30 FFEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1n[n-]c(SCCO)n1 ZINC000120702707 509048639 /nfs/dbraw/zinc/04/86/39/509048639.db2.gz AXCVBYCLWXGSNJ-UHFFFAOYSA-N -1 3 365.418 2.680 20 30 FFEDHM CC#CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000126629667 509104879 /nfs/dbraw/zinc/10/48/79/509104879.db2.gz IZDVVCGSUKWMJE-UHFFFAOYSA-N -1 3 372.446 2.558 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000156226076 509146936 /nfs/dbraw/zinc/14/69/36/509146936.db2.gz WPRDFCHGICXLGU-UHFFFAOYSA-N -1 3 361.423 2.828 20 30 FFEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(Br)c[nH]c2=O)c(F)c1 ZINC000176064130 509306899 /nfs/dbraw/zinc/30/68/99/509306899.db2.gz LVSMXLLDEZZJAS-UHFFFAOYSA-N -1 3 354.110 2.540 20 30 FFEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1nccs1 ZINC000185732005 509327901 /nfs/dbraw/zinc/32/79/01/509327901.db2.gz OLVVLLZFUFRTAM-HNNXBMFYSA-N -1 3 351.453 2.627 20 30 FFEDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000189149086 509436794 /nfs/dbraw/zinc/43/67/94/509436794.db2.gz OOZJRDQXNXBERP-JTQLQIEISA-N -1 3 351.815 2.655 20 30 FFEDHM C=C[C@H](CC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)c1ccccc1 ZINC000179427587 509439036 /nfs/dbraw/zinc/43/90/36/509439036.db2.gz FCKGQMBPYZBIOG-CYBMUJFWSA-N -1 3 364.492 2.632 20 30 FFEDHM C=C[C@H](CC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000179452145 509451167 /nfs/dbraw/zinc/45/11/67/509451167.db2.gz GNGZHNOIVUXNOD-CQSZACIVSA-N -1 3 364.492 2.503 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000264397506 509503703 /nfs/dbraw/zinc/50/37/03/509503703.db2.gz PEYPZPYGLOOJJD-UHFFFAOYSA-N -1 3 373.400 2.506 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1c(C)noc1C ZINC000165537855 509574523 /nfs/dbraw/zinc/57/45/23/509574523.db2.gz HEULLSCUTCEPKB-OAHLLOKOSA-N -1 3 351.403 2.873 20 30 FFEDHM N#Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000179872777 509656462 /nfs/dbraw/zinc/65/64/62/509656462.db2.gz IBBLCPDNKVNGNB-UHFFFAOYSA-N -1 3 367.521 2.624 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000186343835 509660178 /nfs/dbraw/zinc/66/01/78/509660178.db2.gz TTXCFMFTAOEBFK-CYBMUJFWSA-N -1 3 353.426 2.602 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C#N)c2ccccc2Cl)c([O-])c1 ZINC000186349596 509662451 /nfs/dbraw/zinc/66/24/51/509662451.db2.gz HYWLZBGEMNBPOO-MRXNPFEDSA-N -1 3 371.824 2.855 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cccs1 ZINC000183399421 509763804 /nfs/dbraw/zinc/76/38/04/509763804.db2.gz AOADGHGAGHSBEN-CYBMUJFWSA-N -1 3 369.899 2.854 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccc(F)c(F)c1 ZINC000180188529 509802074 /nfs/dbraw/zinc/80/20/74/509802074.db2.gz KAMGNUZQYOSTMI-INIZCTEOSA-N -1 3 366.389 2.811 20 30 FFEDHM C[C@H](CC#N)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183515719 509836400 /nfs/dbraw/zinc/83/64/00/509836400.db2.gz SDLHVCUCLYYLKQ-KDOFPFPSSA-N -1 3 351.406 2.672 20 30 FFEDHM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000193312396 509861294 /nfs/dbraw/zinc/86/12/94/509861294.db2.gz WCXQTTQGQRCRPL-AWEZNQCLSA-N -1 3 360.435 2.914 20 30 FFEDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c1[N+](=O)[O-] ZINC000190020100 509890194 /nfs/dbraw/zinc/89/01/94/509890194.db2.gz ZPPYGTRNWPLPRG-UHFFFAOYSA-N -1 3 363.370 2.701 20 30 FFEDHM CCN1CCN(c2ccccc2NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000190032327 509895519 /nfs/dbraw/zinc/89/55/19/509895519.db2.gz LZCWLRRYXUBXSC-UHFFFAOYSA-N -1 3 350.422 2.658 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000180585615 509998752 /nfs/dbraw/zinc/99/87/52/509998752.db2.gz MIZKXNIGZMCKNS-UHFFFAOYSA-N -1 3 364.327 2.849 20 30 FFEDHM CC(=O)Nc1ccc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000187288058 510172809 /nfs/dbraw/zinc/17/28/09/510172809.db2.gz QPIJSXCYTVZKJM-MRXNPFEDSA-N -1 3 351.410 2.761 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000171536386 510214212 /nfs/dbraw/zinc/21/42/12/510214212.db2.gz LQASEVXCTOBVLK-UHFFFAOYSA-N -1 3 366.380 2.773 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262244861 510219207 /nfs/dbraw/zinc/21/92/07/510219207.db2.gz YNLUJJYZZLBRFT-ZRGWGRIASA-N -1 3 362.495 2.838 20 30 FFEDHM CCO[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000194189974 510255717 /nfs/dbraw/zinc/25/57/17/510255717.db2.gz QHMCJGQBBYELLC-LJQANCHMSA-N -1 3 367.449 2.690 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177846071 510286212 /nfs/dbraw/zinc/28/62/12/510286212.db2.gz FASAUROHECMLIT-NRFANRHFSA-N -1 3 369.465 2.950 20 30 FFEDHM CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1C#N ZINC000269820028 510559794 /nfs/dbraw/zinc/55/97/94/510559794.db2.gz IZLRVKDSHWKQGF-NSHDSACASA-N -1 3 357.370 2.862 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000175297897 510575704 /nfs/dbraw/zinc/57/57/04/510575704.db2.gz GFHZUWBGDXNLRL-LJQANCHMSA-N -1 3 366.465 2.747 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccc2ccccc2c1 ZINC000181816817 510609752 /nfs/dbraw/zinc/60/97/52/510609752.db2.gz VKACEGCXKROJQE-KRWDZBQOSA-N -1 3 360.435 2.667 20 30 FFEDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185389682 510832776 /nfs/dbraw/zinc/83/27/76/510832776.db2.gz MPJMQJBZVZLSSZ-SECBINFHSA-N -1 3 353.831 2.899 20 30 FFEDHM COCc1ccsc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000182311061 510848403 /nfs/dbraw/zinc/84/84/03/510848403.db2.gz SGUUIKKSLVFCCH-UHFFFAOYSA-N -1 3 353.407 2.658 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CSCCN2Cc2ccccc2)c1[O-] ZINC000277604357 510967431 /nfs/dbraw/zinc/96/74/31/510967431.db2.gz ZZADWQURNFHPDE-NIQDBXHUSA-N -1 3 371.506 2.624 20 30 FFEDHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c([O-])c1 ZINC000331237401 511052300 /nfs/dbraw/zinc/05/23/00/511052300.db2.gz MXBJGBHBXBOEJY-ZFWWWQNUSA-N -1 3 354.472 2.538 20 30 FFEDHM COc1ccc(CCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000299016437 511485329 /nfs/dbraw/zinc/48/53/29/511485329.db2.gz ONCRCFLMUJKNHX-UHFFFAOYSA-N -1 3 367.449 2.966 20 30 FFEDHM Cc1oc(C#N)cc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000280513203 511494044 /nfs/dbraw/zinc/49/40/44/511494044.db2.gz DYWGMVAIUFUETD-UHFFFAOYSA-N -1 3 353.378 2.656 20 30 FFEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000272617865 511501225 /nfs/dbraw/zinc/50/12/25/511501225.db2.gz PVDMSRSFLYQZAU-HNNXBMFYSA-N -1 3 355.460 2.968 20 30 FFEDHM N#CC1(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000272709386 511505762 /nfs/dbraw/zinc/50/57/62/511505762.db2.gz CHSMBCFUHQWKSU-SFHVURJKSA-N -1 3 363.417 2.816 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccc(CCN3CCSCC3)cc2)c1[O-] ZINC000299393480 511620612 /nfs/dbraw/zinc/62/06/12/511620612.db2.gz OYFHFCINONLSHI-LPYMAVHISA-N -1 3 371.506 2.930 20 30 FFEDHM N#Cc1ccc(CN2CC[C@H](NCc3cccc([O-])c3Cl)C2=O)cc1 ZINC000293205425 511880560 /nfs/dbraw/zinc/88/05/60/511880560.db2.gz IWXQRMRUSYOCHO-INIZCTEOSA-N -1 3 355.825 2.808 20 30 FFEDHM CCN1CCO[C@@H](C/N=C/c2ccc(O)c([O-])c2O)[C@@H]1c1ccccc1 ZINC000284949306 511941633 /nfs/dbraw/zinc/94/16/33/511941633.db2.gz CVOOPKXCGPRILH-KQWOTGNYSA-N -1 3 356.422 2.684 20 30 FFEDHM C[C@H](NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000328913450 511949471 /nfs/dbraw/zinc/94/94/71/511949471.db2.gz PNPPTUXKPXMVQK-SUMWQHHRSA-N -1 3 370.453 2.659 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000285048546 511981663 /nfs/dbraw/zinc/98/16/63/511981663.db2.gz JSIUPMLVVWPADO-LLVKDONJSA-N -1 3 367.265 2.512 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC=C(Br)C1 ZINC000282148277 512088701 /nfs/dbraw/zinc/08/87/01/512088701.db2.gz ICMOIPYTNXDTJD-UHFFFAOYSA-N -1 3 364.243 2.719 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CCCC#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369719109 512571885 /nfs/dbraw/zinc/57/18/85/512571885.db2.gz SCUCIJRGHMAVOY-JTQLQIEISA-N -1 3 354.819 2.674 20 30 FFEDHM C[C@H](CF)NC(=O)C(=O)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000411532355 512677233 /nfs/dbraw/zinc/67/72/33/512677233.db2.gz YZDNKQHUJMTHHW-XCBNKYQSSA-N -1 3 374.256 2.899 20 30 FFEDHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CCC2 ZINC000367930950 512728898 /nfs/dbraw/zinc/72/88/98/512728898.db2.gz MKCUXTJPGHTDLJ-CYBMUJFWSA-N -1 3 351.428 2.818 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1[O-] ZINC000412222531 513003011 /nfs/dbraw/zinc/00/30/11/513003011.db2.gz SFKXVOLCTWUPMH-LJQANCHMSA-N -1 3 350.374 2.680 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC000368776339 513098717 /nfs/dbraw/zinc/09/87/17/513098717.db2.gz AFLMQTKRYXGQKK-QGZVFWFLSA-N -1 3 369.396 2.987 20 30 FFEDHM COC(=O)c1ccc([N-]C(=O)c2c(F)cc(C#N)cc2F)cc1C(=O)OC ZINC000446029533 513167647 /nfs/dbraw/zinc/16/76/47/513167647.db2.gz BBSZJEMBWJICIC-UHFFFAOYSA-N -1 3 374.299 2.662 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)nn1 ZINC000415733223 513402779 /nfs/dbraw/zinc/40/27/79/513402779.db2.gz IHEKUCJOPJLGJZ-MNOVXSKESA-N -1 3 359.455 2.796 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)ccc1C#N ZINC000447271909 513432704 /nfs/dbraw/zinc/43/27/04/513432704.db2.gz ARVPNWBYIQJLOU-UHFFFAOYSA-N -1 3 357.370 2.592 20 30 FFEDHM N#Cc1ccc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])cc1F ZINC000421815283 513443124 /nfs/dbraw/zinc/44/31/24/513443124.db2.gz MEAQMXMANHSUMZ-GOSISDBHSA-N -1 3 353.397 2.693 20 30 FFEDHM N#CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000429984921 513519861 /nfs/dbraw/zinc/51/98/61/513519861.db2.gz OFIAMYZKGRUUGX-UHFFFAOYSA-N -1 3 363.317 2.586 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435428307 513581038 /nfs/dbraw/zinc/58/10/38/513581038.db2.gz RNMJQOLFKPXBDP-BMIGLBTASA-N -1 3 354.428 2.813 20 30 FFEDHM Cn1c(C[N-]S(=O)(=O)c2ccc(C#N)s2)nc2cccc(Cl)c21 ZINC000435434593 513586218 /nfs/dbraw/zinc/58/62/18/513586218.db2.gz TVOSPSILBCGWHV-UHFFFAOYSA-N -1 3 366.855 2.638 20 30 FFEDHM C=CCCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000447930087 513629231 /nfs/dbraw/zinc/62/92/31/513629231.db2.gz KQMMUVVMMLMPIC-UHFFFAOYSA-N -1 3 352.225 2.841 20 30 FFEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451282459 513650008 /nfs/dbraw/zinc/65/00/08/513650008.db2.gz BUCMRZSLESVIJN-ZDUSSCGKSA-N -1 3 370.883 2.788 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCCO1 ZINC000416444255 513774931 /nfs/dbraw/zinc/77/49/31/513774931.db2.gz XQOGFOJKAQZLLP-QWHCGFSZSA-N -1 3 373.272 2.557 20 30 FFEDHM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416457710 513781329 /nfs/dbraw/zinc/78/13/29/513781329.db2.gz OPJLEWBRPAKWNU-LLVKDONJSA-N -1 3 363.302 2.741 20 30 FFEDHM COc1ccc([O-])c(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000436186260 513788797 /nfs/dbraw/zinc/78/87/97/513788797.db2.gz XGPFYOAJLCVEGR-UHFFFAOYSA-N -1 3 371.824 2.888 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000451498028 513790716 /nfs/dbraw/zinc/79/07/16/513790716.db2.gz MYPIEQZSUJJPND-LBPRGKRZSA-N -1 3 365.282 2.886 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416496326 513800991 /nfs/dbraw/zinc/80/09/91/513800991.db2.gz OWDBRKXQSAYXQC-SNVBAGLBSA-N -1 3 366.252 2.502 20 30 FFEDHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000431192802 513849546 /nfs/dbraw/zinc/84/95/46/513849546.db2.gz HVTVXNHJZHFYNY-UHFFFAOYSA-N -1 3 374.418 2.609 20 30 FFEDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000436475585 513865134 /nfs/dbraw/zinc/86/51/34/513865134.db2.gz GTWKKUNDDVLKHB-UHFFFAOYSA-N -1 3 368.212 2.531 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000443115370 513876234 /nfs/dbraw/zinc/87/62/34/513876234.db2.gz ZDGZFEHOYYCYTI-LBPRGKRZSA-N -1 3 361.404 2.592 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC[C@@H]1CCc2ccccc21 ZINC000451639144 513878354 /nfs/dbraw/zinc/87/83/54/513878354.db2.gz HESMGHGJSLNNCE-AWEZNQCLSA-N -1 3 371.418 2.865 20 30 FFEDHM N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436666071 513935358 /nfs/dbraw/zinc/93/53/58/513935358.db2.gz OUKBTOAIVMYLHN-UHFFFAOYSA-N -1 3 366.377 2.889 20 30 FFEDHM C[C@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443350336 513946204 /nfs/dbraw/zinc/94/62/04/513946204.db2.gz XIPYRLIHUVNGFC-AAEUAGOBSA-N -1 3 351.428 2.960 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@H](C#N)C(C)C)cs2)c1 ZINC000436707063 513950076 /nfs/dbraw/zinc/95/00/76/513950076.db2.gz UBZQJCTUTBRPAE-CQSZACIVSA-N -1 3 372.450 2.616 20 30 FFEDHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000443369184 513952251 /nfs/dbraw/zinc/95/22/51/513952251.db2.gz YYHVTGBZNODLKO-CQSZACIVSA-N -1 3 370.446 2.732 20 30 FFEDHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)OC ZINC000443505878 513982501 /nfs/dbraw/zinc/98/25/01/513982501.db2.gz CFZNVYOEDXTACO-OAHLLOKOSA-N -1 3 369.443 2.586 20 30 FFEDHM N#Cc1ccc(CN[C@H](CSCCOc2ccccc2)C(=O)[O-])cc1 ZINC000426731094 514026869 /nfs/dbraw/zinc/02/68/69/514026869.db2.gz NPRARPRNFODILQ-GOSISDBHSA-N -1 3 356.447 2.913 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(CSCCC(=O)OC)c1 ZINC000416937959 514056213 /nfs/dbraw/zinc/05/62/13/514056213.db2.gz KCICHTKAJWWXMI-AWEZNQCLSA-N -1 3 356.469 2.527 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000451912715 514066960 /nfs/dbraw/zinc/06/69/60/514066960.db2.gz UWEYWYKBIAUKRD-NEPJUHHUSA-N -1 3 353.337 2.856 20 30 FFEDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000414390355 514087431 /nfs/dbraw/zinc/08/74/31/514087431.db2.gz WWWYPCXBIVJYBX-UHFFFAOYSA-N -1 3 369.443 2.500 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000452002684 514125671 /nfs/dbraw/zinc/12/56/71/514125671.db2.gz YIDXQKYODQWSQK-BPCQOVAHSA-N -1 3 371.421 2.925 20 30 FFEDHM C=CCN(CCOC)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444410224 514222102 /nfs/dbraw/zinc/22/21/02/514222102.db2.gz ALAYZFWCTSZHLZ-UHFFFAOYSA-N -1 3 365.227 2.565 20 30 FFEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)[C@H]1CCNCC1(F)F ZINC000423874477 514272897 /nfs/dbraw/zinc/27/28/97/514272897.db2.gz NLVIJVCNFNRVHV-HQJQHLMTSA-N -1 3 358.257 2.929 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000428237705 514428892 /nfs/dbraw/zinc/42/88/92/514428892.db2.gz BSCLWMPWXPQYRL-YPMHNXCESA-N -1 3 367.352 2.806 20 30 FFEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cccnc2C#N)CCCC1 ZINC000428246606 514431686 /nfs/dbraw/zinc/43/16/86/514431686.db2.gz HWCVTIKNSQMZKW-UHFFFAOYSA-N -1 3 371.462 2.752 20 30 FFEDHM Cc1cccc(O[C@H]2CCCC[C@H]2[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428373130 514460464 /nfs/dbraw/zinc/46/04/64/514460464.db2.gz KOYPIAUCAVLIIS-AEFFLSMTSA-N -1 3 371.462 2.930 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000428378618 514461996 /nfs/dbraw/zinc/46/19/96/514461996.db2.gz APYWPHBJQOVCRR-BXKDBHETSA-N -1 3 351.790 2.580 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccsc1 ZINC000475555856 514715444 /nfs/dbraw/zinc/71/54/44/514715444.db2.gz ZBPOULHHYZTOSI-AWEZNQCLSA-N -1 3 369.899 2.854 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(C)o1 ZINC000479954840 514789374 /nfs/dbraw/zinc/78/93/74/514789374.db2.gz ZTQIHOKBIUSRBS-INIZCTEOSA-N -1 3 366.414 2.796 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000480112116 514846057 /nfs/dbraw/zinc/84/60/57/514846057.db2.gz UCJXARIUAWTZRL-CHWSQXEVSA-N -1 3 357.439 2.744 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000489718136 514949056 /nfs/dbraw/zinc/94/90/56/514949056.db2.gz RITMZUUVBVZWKM-MRXNPFEDSA-N -1 3 370.352 2.642 20 30 FFEDHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C)n1 ZINC000503225000 514967310 /nfs/dbraw/zinc/96/73/10/514967310.db2.gz WLLWIEYUAQZQJP-UHFFFAOYSA-N -1 3 364.446 2.871 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Oc1cccc(F)c1 ZINC000476313082 514998448 /nfs/dbraw/zinc/99/84/48/514998448.db2.gz KIHWMNUPEGIMEE-CQSZACIVSA-N -1 3 354.447 2.986 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000476398131 515032985 /nfs/dbraw/zinc/03/29/85/515032985.db2.gz DPOWDPZWSACYKH-HNNXBMFYSA-N -1 3 373.482 2.722 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000467689548 515081138 /nfs/dbraw/zinc/08/11/38/515081138.db2.gz VSXGNCQNWAGUGM-GFCCVEGCSA-N -1 3 368.480 2.904 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000503790374 515141862 /nfs/dbraw/zinc/14/18/62/515141862.db2.gz LEFRHPHIWDCTME-CYBMUJFWSA-N -1 3 354.815 2.861 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000468113771 515230126 /nfs/dbraw/zinc/23/01/26/515230126.db2.gz RJQZYSKVGUMFDK-NSHDSACASA-N -1 3 370.438 2.679 20 30 FFEDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000509724395 515302656 /nfs/dbraw/zinc/30/26/56/515302656.db2.gz MJCJYFUGBYZFJA-GOSISDBHSA-N -1 3 363.417 2.752 20 30 FFEDHM COc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1[O-] ZINC000509811166 515333237 /nfs/dbraw/zinc/33/32/37/515333237.db2.gz VBWBOEYQFFFKBM-UHFFFAOYSA-N -1 3 365.433 2.621 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000499735029 515432542 /nfs/dbraw/zinc/43/25/42/515432542.db2.gz ANLIBSWOFOVLNZ-SNVBAGLBSA-N -1 3 359.354 2.570 20 30 FFEDHM CN(C)c1nc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc(=O)[n-]1 ZINC000463323542 515439737 /nfs/dbraw/zinc/43/97/37/515439737.db2.gz IUHUHYIWGRVESP-NSHDSACASA-N -1 3 366.208 2.550 20 30 FFEDHM N#Cc1ccnc(N2CCN(Cc3cccc([O-])c3Br)CC2)c1 ZINC000459301393 515456851 /nfs/dbraw/zinc/45/68/51/515456851.db2.gz DCBRIODGLQLHMK-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)C#N)ccc2C)cc1 ZINC000510364067 515517524 /nfs/dbraw/zinc/51/75/24/515517524.db2.gz SRDPRIICHNCREQ-ZDUSSCGKSA-N -1 3 373.434 2.903 20 30 FFEDHM CC(C)(CC#N)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000459524343 515618301 /nfs/dbraw/zinc/61/83/01/515618301.db2.gz JUGJIRHREHGAIU-UHFFFAOYSA-N -1 3 350.220 2.580 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-c4ncn(C)n4)cc3)nc1-2 ZINC000505997490 515745454 /nfs/dbraw/zinc/74/54/54/515745454.db2.gz NKLIKEMSLZHIHV-CQSZACIVSA-N -1 3 357.377 2.552 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1c(F)cncc1F ZINC000511030877 515751591 /nfs/dbraw/zinc/75/15/91/515751591.db2.gz NPHGSXWAGJDXCA-QMMMGPOBSA-N -1 3 357.769 2.924 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2cc(Cl)cc(C#N)c2)cc1 ZINC000487354581 515836548 /nfs/dbraw/zinc/83/65/48/515836548.db2.gz MVOTVUGIKDLQLD-UHFFFAOYSA-N -1 3 364.810 2.845 20 30 FFEDHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000478762253 515953997 /nfs/dbraw/zinc/95/39/97/515953997.db2.gz GMTKLQQWVUQQTE-INIZCTEOSA-N -1 3 372.874 2.858 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000479161485 516085066 /nfs/dbraw/zinc/08/50/66/516085066.db2.gz KLJFERXKZBJMHO-CYBMUJFWSA-N -1 3 360.863 2.582 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)cc1Cl ZINC000501410220 516096483 /nfs/dbraw/zinc/09/64/83/516096483.db2.gz YHAMYMIMFFHBCB-VXGBXAGGSA-N -1 3 350.774 2.650 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000501506021 516130208 /nfs/dbraw/zinc/13/02/08/516130208.db2.gz RHTBYRWWHJSECQ-UHFFFAOYSA-N -1 3 354.345 2.657 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000501506021 516130216 /nfs/dbraw/zinc/13/02/16/516130216.db2.gz RHTBYRWWHJSECQ-UHFFFAOYSA-N -1 3 354.345 2.657 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000501506021 516130223 /nfs/dbraw/zinc/13/02/23/516130223.db2.gz RHTBYRWWHJSECQ-UHFFFAOYSA-N -1 3 354.345 2.657 20 30 FFEDHM C[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000512106519 516154199 /nfs/dbraw/zinc/15/41/99/516154199.db2.gz PVBIYSVUJGROFL-GFCCVEGCSA-N -1 3 361.398 2.658 20 30 FFEDHM C=CCn1cccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000488562665 516260361 /nfs/dbraw/zinc/26/03/61/516260361.db2.gz OHQRDMYMIPTZHR-UHFFFAOYSA-N -1 3 353.422 2.871 20 30 FFEDHM C=CCOc1cccnc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000512549878 516302757 /nfs/dbraw/zinc/30/27/57/516302757.db2.gz XJEKSWUDXLJDQH-UHFFFAOYSA-N -1 3 353.357 2.747 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 ZINC000461038350 516309325 /nfs/dbraw/zinc/30/93/25/516309325.db2.gz PAXOGZDMRUUBIH-ZDUSSCGKSA-N -1 3 373.434 2.644 20 30 FFEDHM C=CCN(CCC#N)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000561016748 516339350 /nfs/dbraw/zinc/33/93/50/516339350.db2.gz XKMFXWINMAHJOE-UHFFFAOYSA-N -1 3 365.311 2.969 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2cc(S(C)(=O)=O)cc(C)c2C)nc(C)n1 ZINC000535406091 516341575 /nfs/dbraw/zinc/34/15/75/516341575.db2.gz ZUBWKDCMAKDJKA-MRXNPFEDSA-N -1 3 357.435 2.604 20 30 FFEDHM N#Cc1ccc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC000512899312 516405040 /nfs/dbraw/zinc/40/50/40/516405040.db2.gz QWHSCRFWBDLMQZ-UHFFFAOYSA-N -1 3 374.249 2.526 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000528414225 516417842 /nfs/dbraw/zinc/41/78/42/516417842.db2.gz BRKZDYKUEDIMFI-UHFFFAOYSA-N -1 3 364.345 2.566 20 30 FFEDHM Cc1cccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1 ZINC000557804270 516446251 /nfs/dbraw/zinc/44/62/51/516446251.db2.gz ABURWBJNPVINSG-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM COc1ccc([O-])c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000518336268 516618767 /nfs/dbraw/zinc/61/87/67/516618767.db2.gz KVXJKBSSONTMDH-AWEZNQCLSA-N -1 3 369.396 2.810 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000548145783 516792267 /nfs/dbraw/zinc/79/22/67/516792267.db2.gz FQFOIHKSXPURHB-ZDUSSCGKSA-N -1 3 360.863 2.726 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)CCCCC1 ZINC000548295927 516880948 /nfs/dbraw/zinc/88/09/48/516880948.db2.gz NJJIZTWTPAGMBF-UHFFFAOYSA-N -1 3 361.467 2.551 20 30 FFEDHM C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000562276269 517003625 /nfs/dbraw/zinc/00/36/25/517003625.db2.gz WQOPQRIDUADALT-QRWLVFNGSA-N -1 3 370.453 2.790 20 30 FFEDHM Cc1cccnc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000555947827 517199900 /nfs/dbraw/zinc/19/99/00/517199900.db2.gz DIQSZYKMGUVORL-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000555948181 517201424 /nfs/dbraw/zinc/20/14/24/517201424.db2.gz YPDPEDSOQZNJHB-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000545370471 517202678 /nfs/dbraw/zinc/20/26/78/517202678.db2.gz YLBZGKFXQGXEAV-WMLDXEAASA-N -1 3 366.483 2.775 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc2ccccc12 ZINC000541867701 517262699 /nfs/dbraw/zinc/26/26/99/517262699.db2.gz HBOHQERZRCSEFW-UHFFFAOYSA-N -1 3 372.837 2.942 20 30 FFEDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCCC1 ZINC000533095510 517291900 /nfs/dbraw/zinc/29/19/00/517291900.db2.gz MDMVYISIBRFIOV-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC1C[C@H](C)O[C@@H](C)C1 ZINC000549030058 517364301 /nfs/dbraw/zinc/36/43/01/517364301.db2.gz XKWWGOQTKUWEDG-STQMWFEESA-N -1 3 359.470 2.918 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526960316 517412091 /nfs/dbraw/zinc/41/20/91/517412091.db2.gz WKCYWAOGBWFKQT-AEFFLSMTSA-N -1 3 354.410 2.597 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000520522618 517421717 /nfs/dbraw/zinc/42/17/17/517421717.db2.gz NXUQYTIRMANBKV-ZDUSSCGKSA-N -1 3 371.528 2.593 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(-c3ncc[nH]3)c2)c(F)c1 ZINC000545917867 517433235 /nfs/dbraw/zinc/43/32/35/517433235.db2.gz GXAXCHSUMYHCDI-UHFFFAOYSA-N -1 3 356.382 2.566 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO[C@H]1C1CC1 ZINC000545927999 517440436 /nfs/dbraw/zinc/44/04/36/517440436.db2.gz WZFJPEZXWNUJAI-JKSUJKDBSA-N -1 3 354.859 2.695 20 30 FFEDHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000549245457 517474814 /nfs/dbraw/zinc/47/48/14/517474814.db2.gz CWLSRUVICAAHFE-NSHDSACASA-N -1 3 350.387 2.749 20 30 FFEDHM N#CC(=C([O-])c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccncn1 ZINC000546152493 517571349 /nfs/dbraw/zinc/57/13/49/517571349.db2.gz BYMRBMOAUDGCJR-QGZVFWFLSA-N -1 3 358.357 2.858 20 30 FFEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000521248062 517668186 /nfs/dbraw/zinc/66/81/86/517668186.db2.gz PSAIKNWTFVXGNN-INIZCTEOSA-N -1 3 360.211 2.713 20 30 FFEDHM CNc1ccc(C#N)cc1NC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000557062137 517830404 /nfs/dbraw/zinc/83/04/04/517830404.db2.gz RBFUFDUNMGWZOD-UHFFFAOYSA-N -1 3 366.352 2.841 20 30 FFEDHM CNc1ccc(C#N)cc1NC(=O)c1cnc2cc(F)c(OC)cc2c1[O-] ZINC000557062137 517830420 /nfs/dbraw/zinc/83/04/20/517830420.db2.gz RBFUFDUNMGWZOD-UHFFFAOYSA-N -1 3 366.352 2.841 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)cn1 ZINC000538938219 517853274 /nfs/dbraw/zinc/85/32/74/517853274.db2.gz GHVXNLPLWCTAEA-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2ccccc2o1 ZINC000560629739 517941481 /nfs/dbraw/zinc/94/14/81/517941481.db2.gz JRUSJYCEYWSWAB-UHFFFAOYSA-N -1 3 350.378 2.666 20 30 FFEDHM C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(C)C ZINC000563518870 517955543 /nfs/dbraw/zinc/95/55/43/517955543.db2.gz DPNYOJSASOOUMH-DLBZAZTESA-N -1 3 351.491 2.581 20 30 FFEDHM C=CCOc1ccccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000561002160 518117035 /nfs/dbraw/zinc/11/70/35/518117035.db2.gz ZUOQJUONSJKOLW-UHFFFAOYSA-N -1 3 364.398 2.551 20 30 FFEDHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000575632524 518242063 /nfs/dbraw/zinc/24/20/63/518242063.db2.gz BTNHJUHMQPWGNF-UHFFFAOYSA-N -1 3 364.810 2.728 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccc1C#N ZINC000569892224 518340554 /nfs/dbraw/zinc/34/05/54/518340554.db2.gz WHDHEUUPWYEMIT-UHFFFAOYSA-N -1 3 361.810 2.570 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000564770820 518606366 /nfs/dbraw/zinc/60/63/66/518606366.db2.gz ZFESFZFAKIJAEL-CABCVRRESA-N -1 3 372.849 2.922 20 30 FFEDHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000570577401 518677691 /nfs/dbraw/zinc/67/76/91/518677691.db2.gz ZZHPXHOASSYXJG-QWRGUYRKSA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)s1 ZINC000573522812 518706343 /nfs/dbraw/zinc/70/63/43/518706343.db2.gz SHBSDXLXGZICJD-UHFFFAOYSA-N -1 3 366.439 2.743 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)cs1 ZINC000588110826 518728699 /nfs/dbraw/zinc/72/86/99/518728699.db2.gz MSKQUDOBNLEUCH-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000588898205 518862802 /nfs/dbraw/zinc/86/28/02/518862802.db2.gz AOHSIHGLKLQVSE-INIZCTEOSA-N -1 3 366.483 2.878 20 30 FFEDHM C=CCN(CCC#N)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000568781631 519212738 /nfs/dbraw/zinc/21/27/38/519212738.db2.gz PBQDGSLHCXPFFY-UHFFFAOYSA-N -1 3 360.211 2.832 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccs1 ZINC000583468197 519262302 /nfs/dbraw/zinc/26/23/02/519262302.db2.gz LBFSGNOIMJJIIZ-OAHLLOKOSA-N -1 3 368.455 2.797 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000583503247 519284312 /nfs/dbraw/zinc/28/43/12/519284312.db2.gz VGVCGVVISDKVQH-GFCCVEGCSA-N -1 3 356.245 2.537 20 30 FFEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(=O)c1ccc(C#N)cc1 ZINC000583645646 519357085 /nfs/dbraw/zinc/35/70/85/519357085.db2.gz GTTPGXDOEUQTSY-UHFFFAOYSA-N -1 3 372.377 2.913 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000574973900 519431333 /nfs/dbraw/zinc/43/13/33/519431333.db2.gz DVYSBENUVMSHIX-ICCXJUOJSA-N -1 3 355.257 2.788 20 30 FFEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000569311709 519482010 /nfs/dbraw/zinc/48/20/10/519482010.db2.gz OHAKESJZGXSJOT-UHFFFAOYSA-N -1 3 359.451 2.738 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C#N)c(OC)c3)nc2)n1 ZINC000566534770 519536079 /nfs/dbraw/zinc/53/60/79/519536079.db2.gz LNHGTTOIZHTALM-UHFFFAOYSA-N -1 3 361.405 2.721 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](N)CCCCC#N)c2)n1 ZINC000594428224 519960555 /nfs/dbraw/zinc/96/05/55/519960555.db2.gz KLKQTYKPFLPBAD-INIZCTEOSA-N -1 3 353.426 2.761 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594473519 519984680 /nfs/dbraw/zinc/98/46/80/519984680.db2.gz LACFIDYFPWMPNZ-GDBMZVCRSA-N -1 3 354.859 2.838 20 30 FFEDHM COc1ccc([O-])c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000594667853 520075830 /nfs/dbraw/zinc/07/58/30/520075830.db2.gz JYGKYIXXAQNSSI-GOSISDBHSA-N -1 3 369.396 2.563 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)CCCCO ZINC000594776808 520150396 /nfs/dbraw/zinc/15/03/96/520150396.db2.gz JPIGIPPSSDMSOV-NSHDSACASA-N -1 3 352.481 2.911 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594812363 520170933 /nfs/dbraw/zinc/17/09/33/520170933.db2.gz CDVUXIDSLKSXDF-UHFFFAOYSA-N -1 3 364.448 2.620 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000594815591 520171814 /nfs/dbraw/zinc/17/18/14/520171814.db2.gz XYFOQMFKJKGUQW-UHFFFAOYSA-N -1 3 374.915 2.812 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]CC2(C#N)CCCCC2)CCCCC1 ZINC000594883517 520206335 /nfs/dbraw/zinc/20/63/35/520206335.db2.gz FBTJPZWGGYTLNM-UHFFFAOYSA-N -1 3 356.488 2.503 20 30 FFEDHM N#CC[C@]1(O)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000592149789 520225601 /nfs/dbraw/zinc/22/56/01/520225601.db2.gz WMGGENHUSOGBCY-KRWDZBQOSA-N -1 3 356.407 2.507 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2N2CCCC2)o1 ZINC000592385270 520364108 /nfs/dbraw/zinc/36/41/08/520364108.db2.gz HKHDKCIIBLGXDE-HKUYNNGSSA-N -1 3 371.462 2.581 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000600668079 520385132 /nfs/dbraw/zinc/38/51/32/520385132.db2.gz LKTRJOLGEBZDNL-SNVBAGLBSA-N -1 3 366.361 2.810 20 30 FFEDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000595352980 520422862 /nfs/dbraw/zinc/42/28/62/520422862.db2.gz HCWXNSKBSYTMIQ-ROUUACIJSA-N -1 3 362.426 2.734 20 30 FFEDHM CC(C)(C)c1ccc(C#N)c(NCC[N-]S(=O)(=O)c2cccs2)n1 ZINC000613427745 520497024 /nfs/dbraw/zinc/49/70/24/520497024.db2.gz NFDRRBCXUJPXJF-UHFFFAOYSA-N -1 3 364.496 2.703 20 30 FFEDHM Cc1nc([N-]C(=O)[C@@H](C)Oc2cccc(C)c2)n(-c2ccc(C#N)cc2)n1 ZINC000610110496 520544114 /nfs/dbraw/zinc/54/41/14/520544114.db2.gz YVESBWRQIGADDR-CQSZACIVSA-N -1 3 361.405 2.584 20 30 FFEDHM Cc1nc([N-]C(=O)COc2ccc(C)c(C)c2)n(-c2ccc(C#N)cc2)n1 ZINC000610110188 520544354 /nfs/dbraw/zinc/54/43/54/520544354.db2.gz SOTIAPKDNMUSQV-UHFFFAOYSA-N -1 3 361.405 2.504 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000610267026 520612581 /nfs/dbraw/zinc/61/25/81/520612581.db2.gz QOQZWICVJNMXOW-GFCCVEGCSA-N -1 3 350.362 2.526 20 30 FFEDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000610339450 520642126 /nfs/dbraw/zinc/64/21/26/520642126.db2.gz VVHMHMZBFBVHIE-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000601460395 520798390 /nfs/dbraw/zinc/79/83/90/520798390.db2.gz FSHVZPFRPXGWIR-JSGCOSHPSA-N -1 3 362.373 2.531 20 30 FFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1NC(=O)N1CCCC1 ZINC000593196081 520819223 /nfs/dbraw/zinc/81/92/23/520819223.db2.gz PJPQASMMBGGMSV-UHFFFAOYSA-N -1 3 364.471 2.996 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2cc(O)ccc2C1 ZINC000618180207 520921753 /nfs/dbraw/zinc/92/17/53/520921753.db2.gz QRCMHQAPQVGJAH-HNNXBMFYSA-N -1 3 362.838 2.753 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000614382318 520934625 /nfs/dbraw/zinc/93/46/25/520934625.db2.gz VTPBZEGUZFLOLY-CQSZACIVSA-N -1 3 361.405 2.627 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCCCOCCc1ccccc1 ZINC000593533783 521055614 /nfs/dbraw/zinc/05/56/14/521055614.db2.gz DAKJZWYLWLTBAW-UHFFFAOYSA-N -1 3 364.492 2.938 20 30 FFEDHM CCOc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)ccc1OC ZINC000593543995 521064084 /nfs/dbraw/zinc/06/40/84/521064084.db2.gz KASOGZCUBPOZMQ-UHFFFAOYSA-N -1 3 352.437 2.506 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)Oc1ccccc1F ZINC000593560365 521076827 /nfs/dbraw/zinc/07/68/27/521076827.db2.gz FCYMQNPLCBUHNI-LLVKDONJSA-N -1 3 354.428 2.895 20 30 FFEDHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000593583640 521090717 /nfs/dbraw/zinc/09/07/17/521090717.db2.gz WLWQPLNJWDFDAH-SUMWQHHRSA-N -1 3 364.492 2.528 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1(CO)CCC1 ZINC000593600007 521100644 /nfs/dbraw/zinc/10/06/44/521100644.db2.gz GHOMKDRHURHMAN-MRXNPFEDSA-N -1 3 362.476 2.802 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000599324411 521152536 /nfs/dbraw/zinc/15/25/36/521152536.db2.gz QLDDNDHVTBCQON-UHFFFAOYSA-N -1 3 366.361 2.812 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000618715934 521196451 /nfs/dbraw/zinc/19/64/51/521196451.db2.gz LDNIIVFNHUXCCE-CYBMUJFWSA-N -1 3 352.337 2.941 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000618855758 521265500 /nfs/dbraw/zinc/26/55/00/521265500.db2.gz FYKYUYKKEVYEEX-ZWNOBZJWSA-N -1 3 373.190 2.917 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3cc(F)cc(F)c32)c(Cl)c1 ZINC000612173531 521519458 /nfs/dbraw/zinc/51/94/58/521519458.db2.gz YSJUJBWFYRCRDA-GFCCVEGCSA-N -1 3 370.764 2.902 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1cc(C)cc(C)c1 ZINC000619497187 521598481 /nfs/dbraw/zinc/59/84/81/521598481.db2.gz PPRMVHBZINVLKI-SFHVURJKSA-N -1 3 372.446 2.562 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1Br ZINC000619724388 521838935 /nfs/dbraw/zinc/83/89/35/521838935.db2.gz OBMPMZBMNFWHSV-ZDUSSCGKSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1Br ZINC000619724388 521838942 /nfs/dbraw/zinc/83/89/42/521838942.db2.gz OBMPMZBMNFWHSV-ZDUSSCGKSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1Br ZINC000619724388 521838946 /nfs/dbraw/zinc/83/89/46/521838946.db2.gz OBMPMZBMNFWHSV-ZDUSSCGKSA-N -1 3 374.173 2.854 20 30 FFEDHM CCC(F)(F)CNC(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000627849415 523157274 /nfs/dbraw/zinc/15/72/74/523157274.db2.gz HTQDVJIYNFAJBR-JTQLQIEISA-N -1 3 374.256 2.846 20 30 FFEDHM N#CCC1(CS(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000625549892 523527331 /nfs/dbraw/zinc/52/73/31/523527331.db2.gz WPGDTEUWSSNAAF-UHFFFAOYSA-N -1 3 361.250 2.789 20 30 FFEDHM CCC(=O)c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000019679543 535340749 /nfs/dbraw/zinc/34/07/49/535340749.db2.gz OVKLNJLPMMRQRJ-UHFFFAOYSA-N -1 3 352.390 2.994 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CCSCC1 ZINC000735420934 598853346 /nfs/dbraw/zinc/85/33/46/598853346.db2.gz VTUSVBQNAZJBSB-UHFFFAOYSA-N -1 3 372.498 2.708 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CCSCC1 ZINC000735420934 598853347 /nfs/dbraw/zinc/85/33/47/598853347.db2.gz VTUSVBQNAZJBSB-UHFFFAOYSA-N -1 3 372.498 2.708 20 30 FFEDHM COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737097817 598913597 /nfs/dbraw/zinc/91/35/97/598913597.db2.gz MPMPLNDFODFOMC-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737097817 598913599 /nfs/dbraw/zinc/91/35/99/598913599.db2.gz MPMPLNDFODFOMC-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1-c1nnn[n-]1 ZINC000737717829 598919242 /nfs/dbraw/zinc/91/92/42/598919242.db2.gz BIOMSSHOBHRNHQ-UHFFFAOYSA-N -1 3 373.351 2.920 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1-c1nn[n-]n1 ZINC000737717829 598919245 /nfs/dbraw/zinc/91/92/45/598919245.db2.gz BIOMSSHOBHRNHQ-UHFFFAOYSA-N -1 3 373.351 2.920 20 30 FFEDHM CC(C)Oc1cccc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000735914319 598927519 /nfs/dbraw/zinc/92/75/19/598927519.db2.gz WJXXOVJIIQCXAT-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1cccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000735914319 598927521 /nfs/dbraw/zinc/92/75/21/598927521.db2.gz WJXXOVJIIQCXAT-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM C[C@@](C#N)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000735505887 598969841 /nfs/dbraw/zinc/96/98/41/598969841.db2.gz XGMRIQYOIUBAAG-CVTTXWKISA-N -1 3 350.426 2.859 20 30 FFEDHM C[C@@](C#N)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000735505887 598969843 /nfs/dbraw/zinc/96/98/43/598969843.db2.gz XGMRIQYOIUBAAG-CVTTXWKISA-N -1 3 350.426 2.859 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1C#N ZINC000736189152 599065669 /nfs/dbraw/zinc/06/56/69/599065669.db2.gz AZJNFZWFJQDDAP-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1C#N ZINC000736189152 599065671 /nfs/dbraw/zinc/06/56/71/599065671.db2.gz AZJNFZWFJQDDAP-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000737081255 599150963 /nfs/dbraw/zinc/15/09/63/599150963.db2.gz MHCMGQJZCHJQBL-KRXBUXKQSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000737081255 599150965 /nfs/dbraw/zinc/15/09/65/599150965.db2.gz MHCMGQJZCHJQBL-KRXBUXKQSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1F ZINC000737065421 599152842 /nfs/dbraw/zinc/15/28/42/599152842.db2.gz LOWCHXUSVAUDDE-ZZXKWVIFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1F ZINC000737065421 599152845 /nfs/dbraw/zinc/15/28/45/599152845.db2.gz LOWCHXUSVAUDDE-ZZXKWVIFSA-N -1 3 354.341 2.919 20 30 FFEDHM CS[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737169894 599193992 /nfs/dbraw/zinc/19/39/92/599193992.db2.gz FSBKEYRQZONTBY-OAHLLOKOSA-N -1 3 350.407 2.781 20 30 FFEDHM CS[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737169894 599193994 /nfs/dbraw/zinc/19/39/94/599193994.db2.gz FSBKEYRQZONTBY-OAHLLOKOSA-N -1 3 350.407 2.781 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@@H]2CCc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000737703532 599196076 /nfs/dbraw/zinc/19/60/76/599196076.db2.gz CCJRSIZWCYHUIY-CYBMUJFWSA-N -1 3 358.405 2.872 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@@H]2CCc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000737703532 599196079 /nfs/dbraw/zinc/19/60/79/599196079.db2.gz CCJRSIZWCYHUIY-CYBMUJFWSA-N -1 3 358.405 2.872 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000737716378 599198678 /nfs/dbraw/zinc/19/86/78/599198678.db2.gz QFRFHFMKQHNXMW-GXTWGEPZSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000737716378 599198680 /nfs/dbraw/zinc/19/86/80/599198680.db2.gz QFRFHFMKQHNXMW-GXTWGEPZSA-N -1 3 366.331 2.759 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735409846 599203446 /nfs/dbraw/zinc/20/34/46/599203446.db2.gz MQLHFUKYNPTEAZ-GFCCVEGCSA-N -1 3 350.382 2.748 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735409846 599203448 /nfs/dbraw/zinc/20/34/48/599203448.db2.gz MQLHFUKYNPTEAZ-GFCCVEGCSA-N -1 3 350.382 2.748 20 30 FFEDHM N#Cc1cccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737730273 598320879 /nfs/dbraw/zinc/32/08/79/598320879.db2.gz HVOPNPDLHRTJQZ-UHFFFAOYSA-N -1 3 369.841 2.878 20 30 FFEDHM N#Cc1cccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737730273 598320881 /nfs/dbraw/zinc/32/08/81/598320881.db2.gz HVOPNPDLHRTJQZ-UHFFFAOYSA-N -1 3 369.841 2.878 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203507 598639601 /nfs/dbraw/zinc/63/96/01/598639601.db2.gz VAMHCIPAWYCDHY-GQCTYLIASA-N -1 3 361.405 2.754 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)CCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203507 598639603 /nfs/dbraw/zinc/63/96/03/598639603.db2.gz VAMHCIPAWYCDHY-GQCTYLIASA-N -1 3 361.405 2.754 20 30 FFEDHM O=C(C=NOCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccccc1Cl ZINC000737807955 598675201 /nfs/dbraw/zinc/67/52/01/598675201.db2.gz OEEMZMAGULZARP-UHFFFAOYSA-N -1 3 374.763 2.800 20 30 FFEDHM O=C(C=NOCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccccc1Cl ZINC000737807955 598675203 /nfs/dbraw/zinc/67/52/03/598675203.db2.gz OEEMZMAGULZARP-UHFFFAOYSA-N -1 3 374.763 2.800 20 30 FFEDHM N#Cc1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000737713611 598815803 /nfs/dbraw/zinc/81/58/03/598815803.db2.gz ZSNOPABLYVHKKH-UHFFFAOYSA-N -1 3 361.365 2.816 20 30 FFEDHM N#Cc1ccc(CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000737713611 598815805 /nfs/dbraw/zinc/81/58/05/598815805.db2.gz ZSNOPABLYVHKKH-UHFFFAOYSA-N -1 3 361.365 2.816 20 30 FFEDHM N#Cc1ccc(CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000737712336 598816121 /nfs/dbraw/zinc/81/61/21/598816121.db2.gz PILNBTHRSNRHHO-UHFFFAOYSA-N -1 3 361.365 2.816 20 30 FFEDHM N#Cc1ccc(CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000737712336 598816122 /nfs/dbraw/zinc/81/61/22/598816122.db2.gz PILNBTHRSNRHHO-UHFFFAOYSA-N -1 3 361.365 2.816 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735437707 598821107 /nfs/dbraw/zinc/82/11/07/598821107.db2.gz PFOJGJSUPQCBQJ-UHFFFAOYSA-N -1 3 365.393 2.587 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735437707 598821109 /nfs/dbraw/zinc/82/11/09/598821109.db2.gz PFOJGJSUPQCBQJ-UHFFFAOYSA-N -1 3 365.393 2.587 20 30 FFEDHM CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503506 599309099 /nfs/dbraw/zinc/30/90/99/599309099.db2.gz XLBGKUOABIMRTJ-ZDUSSCGKSA-N -1 3 362.393 2.559 20 30 FFEDHM CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503506 599309102 /nfs/dbraw/zinc/30/91/02/599309102.db2.gz XLBGKUOABIMRTJ-ZDUSSCGKSA-N -1 3 362.393 2.559 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3ccc(C)cn23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822279876 607368364 /nfs/dbraw/zinc/36/83/64/607368364.db2.gz FCDIGKWYFJRZRU-SREVYHEPSA-N -1 3 373.420 2.775 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3ccc(C)cn23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822279876 607368366 /nfs/dbraw/zinc/36/83/66/607368366.db2.gz FCDIGKWYFJRZRU-SREVYHEPSA-N -1 3 373.420 2.775 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cncc(C)c1 ZINC000819743426 607393300 /nfs/dbraw/zinc/39/33/00/607393300.db2.gz JJMOXAUFKRFPSV-FPLPWBNLSA-N -1 3 360.421 2.798 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cncc(C)c1 ZINC000819743426 607393302 /nfs/dbraw/zinc/39/33/02/607393302.db2.gz JJMOXAUFKRFPSV-FPLPWBNLSA-N -1 3 360.421 2.798 20 30 FFEDHM C#CCOc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000823856078 607394447 /nfs/dbraw/zinc/39/44/47/607394447.db2.gz HIOJZIXZCALFMP-UHFFFAOYSA-N -1 3 374.404 2.690 20 30 FFEDHM C#CCOc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000823856078 607394448 /nfs/dbraw/zinc/39/44/48/607394448.db2.gz HIOJZIXZCALFMP-UHFFFAOYSA-N -1 3 374.404 2.690 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCN(C)C(=O)[O-] ZINC000737266860 599911873 /nfs/dbraw/zinc/91/18/73/599911873.db2.gz JSXXAMVXOLWSGW-OAHLLOKOSA-N -1 3 359.426 2.849 20 30 FFEDHM N#Cc1ccc([C@H](NCc2ccccc2CN2CCCC2=O)C(=O)[O-])cc1 ZINC000739104793 600592392 /nfs/dbraw/zinc/59/23/92/600592392.db2.gz DKFFHURYJOPGCG-FQEVSTJZSA-N -1 3 363.417 2.596 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CO2 ZINC000821850179 607458299 /nfs/dbraw/zinc/45/82/99/607458299.db2.gz XXDYGGGYXPGQPO-WUXMJOGZSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CO2 ZINC000821850179 607458300 /nfs/dbraw/zinc/45/83/00/607458300.db2.gz XXDYGGGYXPGQPO-WUXMJOGZSA-N -1 3 352.325 2.673 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000832875691 601934712 /nfs/dbraw/zinc/93/47/12/601934712.db2.gz CUNSGILFQZMDSS-OXJNMPFZSA-N -1 3 357.454 2.735 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823919475 607574527 /nfs/dbraw/zinc/57/45/27/607574527.db2.gz HJCJQTPLHOMMQG-UHFFFAOYSA-N -1 3 355.423 2.556 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823919475 607574528 /nfs/dbraw/zinc/57/45/28/607574528.db2.gz HJCJQTPLHOMMQG-UHFFFAOYSA-N -1 3 355.423 2.556 20 30 FFEDHM N#Cc1cccc(C2(NC(=S)Nc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826386655 607648819 /nfs/dbraw/zinc/64/88/19/607648819.db2.gz NJOBDMCUSOMRFG-UHFFFAOYSA-N -1 3 361.434 2.714 20 30 FFEDHM N#Cc1cccc(C2(NC(=S)Nc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826386655 607648821 /nfs/dbraw/zinc/64/88/21/607648821.db2.gz NJOBDMCUSOMRFG-UHFFFAOYSA-N -1 3 361.434 2.714 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826256893 607683895 /nfs/dbraw/zinc/68/38/95/607683895.db2.gz FKUPKSQKTNPWSQ-UHFFFAOYSA-N -1 3 370.319 2.901 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826256893 607683897 /nfs/dbraw/zinc/68/38/97/607683897.db2.gz FKUPKSQKTNPWSQ-UHFFFAOYSA-N -1 3 370.319 2.901 20 30 FFEDHM N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)n2)c1 ZINC000826386638 607771424 /nfs/dbraw/zinc/77/14/24/607771424.db2.gz MTGYSJJMCJIPEM-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)n2)c1 ZINC000826386638 607771425 /nfs/dbraw/zinc/77/14/25/607771425.db2.gz MTGYSJJMCJIPEM-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ncc(C(C)(C)C)o1 ZINC000820554961 606170547 /nfs/dbraw/zinc/17/05/47/606170547.db2.gz CHJFNDSCXNUYRC-MRVPVSSYSA-N -1 3 370.442 2.854 20 30 FFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ncc(C(C)(C)C)o1 ZINC000820554961 606170550 /nfs/dbraw/zinc/17/05/50/606170550.db2.gz CHJFNDSCXNUYRC-MRVPVSSYSA-N -1 3 370.442 2.854 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821693105 606305012 /nfs/dbraw/zinc/30/50/12/606305012.db2.gz RRLKCKPKYWCCAU-VOTSOKGWSA-N -1 3 356.407 2.850 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821693105 606305014 /nfs/dbraw/zinc/30/50/14/606305014.db2.gz RRLKCKPKYWCCAU-VOTSOKGWSA-N -1 3 356.407 2.850 20 30 FFEDHM N#Cc1ccc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822832769 606311377 /nfs/dbraw/zinc/31/13/77/606311377.db2.gz GDAPQDZARBHENH-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822832769 606311378 /nfs/dbraw/zinc/31/13/78/606311378.db2.gz GDAPQDZARBHENH-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000820549204 606352887 /nfs/dbraw/zinc/35/28/87/606352887.db2.gz LAUSHFHCQKMVQQ-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000820549204 606352888 /nfs/dbraw/zinc/35/28/88/606352888.db2.gz LAUSHFHCQKMVQQ-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1ccccc1 ZINC000822014926 606390197 /nfs/dbraw/zinc/39/01/97/606390197.db2.gz AZRBPVIJRLCEOB-VQHVLOKHSA-N -1 3 363.406 2.713 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821694020 606390716 /nfs/dbraw/zinc/39/07/16/606390716.db2.gz ZJNGDZPCZLNEDI-FNORWQNLSA-N -1 3 374.397 2.989 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1ccccn1 ZINC000822015736 606392495 /nfs/dbraw/zinc/39/24/95/606392495.db2.gz NXSBCNBZKFOTJC-FNORWQNLSA-N -1 3 363.406 2.713 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C#N)cs1 ZINC000819745437 606498557 /nfs/dbraw/zinc/49/85/57/606498557.db2.gz CUUVBLPFPHLXBN-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C#N)cs1 ZINC000819745437 606498559 /nfs/dbraw/zinc/49/85/59/606498559.db2.gz CUUVBLPFPHLXBN-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM Cc1ccccc1CCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000822356638 606608219 /nfs/dbraw/zinc/60/82/19/606608219.db2.gz XBNJCYLWXSKQEX-UHFFFAOYSA-N -1 3 351.439 2.749 20 30 FFEDHM Cc1ccccc1CCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000822356638 606608221 /nfs/dbraw/zinc/60/82/21/606608221.db2.gz XBNJCYLWXSKQEX-UHFFFAOYSA-N -1 3 351.439 2.749 20 30 FFEDHM O=C1Nc2ccc(C(F)(F)F)cc2C1=NNc1cccc(-c2nnn[n-]2)c1 ZINC000823546663 606637529 /nfs/dbraw/zinc/63/75/29/606637529.db2.gz CUZXLKPATGQKJC-UHFFFAOYSA-N -1 3 373.298 2.654 20 30 FFEDHM O=C1Nc2ccc(C(F)(F)F)cc2C1=NNc1cccc(-c2nn[n-]n2)c1 ZINC000823546663 606637530 /nfs/dbraw/zinc/63/75/30/606637530.db2.gz CUZXLKPATGQKJC-UHFFFAOYSA-N -1 3 373.298 2.654 20 30 FFEDHM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819844598 606832560 /nfs/dbraw/zinc/83/25/60/606832560.db2.gz IXXRMOVVJLQRJM-GFCCVEGCSA-N -1 3 363.381 2.940 20 30 FFEDHM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819844598 606832561 /nfs/dbraw/zinc/83/25/61/606832561.db2.gz IXXRMOVVJLQRJM-GFCCVEGCSA-N -1 3 363.381 2.940 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(OC)cc1O ZINC000821702930 606835652 /nfs/dbraw/zinc/83/56/52/606835652.db2.gz HTQKUIMQWKMTMG-HYXAFXHYSA-N -1 3 358.379 2.547 20 30 FFEDHM C#CCCCCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000819693610 606947485 /nfs/dbraw/zinc/94/74/85/606947485.db2.gz UJGQHUSPZJTENF-UHFFFAOYSA-N -1 3 358.352 2.654 20 30 FFEDHM C#CCCCCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000819693610 606947486 /nfs/dbraw/zinc/94/74/86/606947486.db2.gz UJGQHUSPZJTENF-UHFFFAOYSA-N -1 3 358.352 2.654 20 30 FFEDHM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822810149 607097231 /nfs/dbraw/zinc/09/72/31/607097231.db2.gz CUXLJPGITUTPBI-UHFFFAOYSA-N -1 3 355.333 2.547 20 30 FFEDHM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822810149 607097233 /nfs/dbraw/zinc/09/72/33/607097233.db2.gz CUXLJPGITUTPBI-UHFFFAOYSA-N -1 3 355.333 2.547 20 30 FFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cnn(Cc2ccccc2)c1 ZINC000819782567 607146188 /nfs/dbraw/zinc/14/61/88/607146188.db2.gz NRBZPYASPGSDKX-UHFFFAOYSA-N -1 3 358.409 2.948 20 30 FFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cnn(Cc2ccccc2)c1 ZINC000819782567 607146190 /nfs/dbraw/zinc/14/61/90/607146190.db2.gz NRBZPYASPGSDKX-UHFFFAOYSA-N -1 3 358.409 2.948 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000819773162 607146474 /nfs/dbraw/zinc/14/64/74/607146474.db2.gz QCSKKLHYQHAZGO-UHFFFAOYSA-N -1 3 358.409 2.948 20 30 FFEDHM c1[nH]c2ccc(-c3nnn[n-]3)cc2c1CN=Nc1nc(-c2ccccc2)no1 ZINC000819718754 607147530 /nfs/dbraw/zinc/14/75/30/607147530.db2.gz OSICHTBOFOGFIE-UHFFFAOYSA-N -1 3 371.364 2.844 20 30 FFEDHM c1[nH]c2ccc(-c3nn[n-]n3)cc2c1CN=Nc1nc(-c2ccccc2)no1 ZINC000819718754 607147531 /nfs/dbraw/zinc/14/75/31/607147531.db2.gz OSICHTBOFOGFIE-UHFFFAOYSA-N -1 3 371.364 2.844 20 30 FFEDHM CC(C)(C#N)c1ccccc1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819891945 607154640 /nfs/dbraw/zinc/15/46/40/607154640.db2.gz NARJINKFYXIYSA-UHFFFAOYSA-N -1 3 361.405 2.954 20 30 FFEDHM CC(C)(C#N)c1ccccc1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819891945 607154641 /nfs/dbraw/zinc/15/46/41/607154641.db2.gz NARJINKFYXIYSA-UHFFFAOYSA-N -1 3 361.405 2.954 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000826010676 607842989 /nfs/dbraw/zinc/84/29/89/607842989.db2.gz NXLGZCIMFNVRAB-QPJJXVBHSA-N -1 3 365.418 2.733 20 30 FFEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1ccccc1-c1nnn[n-]1 ZINC000826305219 607882818 /nfs/dbraw/zinc/88/28/18/607882818.db2.gz ONUHTBPYWBOMPU-UHFFFAOYSA-N -1 3 362.422 2.605 20 30 FFEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1ccccc1-c1nn[n-]n1 ZINC000826305219 607882819 /nfs/dbraw/zinc/88/28/19/607882819.db2.gz ONUHTBPYWBOMPU-UHFFFAOYSA-N -1 3 362.422 2.605 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CO2 ZINC000826212639 607915830 /nfs/dbraw/zinc/91/58/30/607915830.db2.gz WOQBAVBOUSWDAE-IZZDOVSWSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CO2 ZINC000826212639 607915831 /nfs/dbraw/zinc/91/58/31/607915831.db2.gz WOQBAVBOUSWDAE-IZZDOVSWSA-N -1 3 352.325 2.673 20 30 FFEDHM C=C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823883227 607981474 /nfs/dbraw/zinc/98/14/74/607981474.db2.gz LPZNMYHYWQWALG-CYBMUJFWSA-N -1 3 351.385 2.982 20 30 FFEDHM C=C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823883227 607981475 /nfs/dbraw/zinc/98/14/75/607981475.db2.gz LPZNMYHYWQWALG-CYBMUJFWSA-N -1 3 351.385 2.982 20 30 FFEDHM N#Cc1cccc(Cl)c1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826386799 608052402 /nfs/dbraw/zinc/05/24/02/608052402.db2.gz SYNPRTVHBBRTSN-INIZCTEOSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc(Cl)c1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826386799 608052403 /nfs/dbraw/zinc/05/24/03/608052403.db2.gz SYNPRTVHBBRTSN-INIZCTEOSA-N -1 3 366.812 2.970 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823888722 608084116 /nfs/dbraw/zinc/08/41/16/608084116.db2.gz UWMYUZPDRYVKES-QGZVFWFLSA-N -1 3 353.426 2.535 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823888722 608084117 /nfs/dbraw/zinc/08/41/17/608084117.db2.gz UWMYUZPDRYVKES-QGZVFWFLSA-N -1 3 353.426 2.535 20 30 FFEDHM C[C@]1(C#N)CCCN(Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824778483 608125638 /nfs/dbraw/zinc/12/56/38/608125638.db2.gz PWQJELPJAPDWOX-OAHLLOKOSA-N -1 3 361.247 2.755 20 30 FFEDHM C[C@]1(C#N)CCCN(Cc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824778483 608125639 /nfs/dbraw/zinc/12/56/39/608125639.db2.gz PWQJELPJAPDWOX-OAHLLOKOSA-N -1 3 361.247 2.755 20 30 FFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(CC#N)cc1 ZINC000825793612 608177939 /nfs/dbraw/zinc/17/79/39/608177939.db2.gz YJVAYOMMEVDGJX-UHFFFAOYSA-N -1 3 372.392 2.555 20 30 FFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(CC#N)cc1 ZINC000825793612 608177940 /nfs/dbraw/zinc/17/79/40/608177940.db2.gz YJVAYOMMEVDGJX-UHFFFAOYSA-N -1 3 372.392 2.555 20 30 FFEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)[C@@H]1CCc2ccccc21 ZINC000823845691 608355400 /nfs/dbraw/zinc/35/54/00/608355400.db2.gz WTRACCXCBBJDKS-LJQANCHMSA-N -1 3 359.433 2.998 20 30 FFEDHM C#CCOc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000823856191 608536693 /nfs/dbraw/zinc/53/66/93/608536693.db2.gz MLPCVKAPJKVUSB-UHFFFAOYSA-N -1 3 367.800 2.763 20 30 FFEDHM C#CCOc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000823856191 608536695 /nfs/dbraw/zinc/53/66/95/608536695.db2.gz MLPCVKAPJKVUSB-UHFFFAOYSA-N -1 3 367.800 2.763 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000824522984 608574504 /nfs/dbraw/zinc/57/45/04/608574504.db2.gz XGAKXFCDMXPWIV-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000824522984 608574505 /nfs/dbraw/zinc/57/45/05/608574505.db2.gz XGAKXFCDMXPWIV-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C=CCN(Cc1ccc(C(=O)OCC)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914176 608631130 /nfs/dbraw/zinc/63/11/30/608631130.db2.gz CGUMNUDGUREMMF-UHFFFAOYSA-N -1 3 367.409 2.825 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826178386 608875782 /nfs/dbraw/zinc/87/57/82/608875782.db2.gz WBTSPEUFXZDHLW-GHXNOFRVSA-N -1 3 366.352 2.982 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826178386 608875785 /nfs/dbraw/zinc/87/57/85/608875785.db2.gz WBTSPEUFXZDHLW-GHXNOFRVSA-N -1 3 366.352 2.982 20 30 FFEDHM N#CCc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826382668 609149118 /nfs/dbraw/zinc/14/91/18/609149118.db2.gz POBKJFKTWZOFTP-UHFFFAOYSA-N -1 3 352.785 2.767 20 30 FFEDHM N#CCc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826382668 609149119 /nfs/dbraw/zinc/14/91/19/609149119.db2.gz POBKJFKTWZOFTP-UHFFFAOYSA-N -1 3 352.785 2.767 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000824319303 609154368 /nfs/dbraw/zinc/15/43/68/609154368.db2.gz LIMBHFLRLNEQEP-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000824319303 609154370 /nfs/dbraw/zinc/15/43/70/609154370.db2.gz LIMBHFLRLNEQEP-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380870 609246203 /nfs/dbraw/zinc/24/62/03/609246203.db2.gz OWKZAUZEUGQVLD-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380870 609246205 /nfs/dbraw/zinc/24/62/05/609246205.db2.gz OWKZAUZEUGQVLD-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826162475 609271724 /nfs/dbraw/zinc/27/17/24/609271724.db2.gz DECLUNDGUUIIDD-WTKPLQERSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826162475 609271725 /nfs/dbraw/zinc/27/17/25/609271725.db2.gz DECLUNDGUUIIDD-WTKPLQERSA-N -1 3 368.368 2.927 20 30 FFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826217506 609271808 /nfs/dbraw/zinc/27/18/08/609271808.db2.gz PNVXCHGYDSVYAY-HJWRWDBZSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826217506 609271809 /nfs/dbraw/zinc/27/18/09/609271809.db2.gz PNVXCHGYDSVYAY-HJWRWDBZSA-N -1 3 354.341 2.919 20 30 FFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401369 609273154 /nfs/dbraw/zinc/27/31/54/609273154.db2.gz WOFYWXUDOQFLQW-ZZXKWVIFSA-N -1 3 357.276 2.949 20 30 FFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401369 609273156 /nfs/dbraw/zinc/27/31/56/609273156.db2.gz WOFYWXUDOQFLQW-ZZXKWVIFSA-N -1 3 357.276 2.949 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826190638 609274154 /nfs/dbraw/zinc/27/41/54/609274154.db2.gz IBCYIYBNPZSGLH-CLTKARDFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826190638 609274155 /nfs/dbraw/zinc/27/41/55/609274155.db2.gz IBCYIYBNPZSGLH-CLTKARDFSA-N -1 3 354.341 2.919 20 30 FFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401465 609310313 /nfs/dbraw/zinc/31/03/13/609310313.db2.gz ZRGVIISLOZZAMZ-ZZXKWVIFSA-N -1 3 357.276 2.949 20 30 FFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401465 609310314 /nfs/dbraw/zinc/31/03/14/609310314.db2.gz ZRGVIISLOZZAMZ-ZZXKWVIFSA-N -1 3 357.276 2.949 20 30 FFEDHM C=C(C)CN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823874826 609345620 /nfs/dbraw/zinc/34/56/20/609345620.db2.gz ZEIWNRZZCPVQHW-UHFFFAOYSA-N -1 3 353.382 2.687 20 30 FFEDHM C=C(C)CN(C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823874846 609345726 /nfs/dbraw/zinc/34/57/26/609345726.db2.gz ZLFAXSZRSNOYEE-UHFFFAOYSA-N -1 3 353.382 2.687 20 30 FFEDHM C=C(C)CN(C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823874846 609345728 /nfs/dbraw/zinc/34/57/28/609345728.db2.gz ZLFAXSZRSNOYEE-UHFFFAOYSA-N -1 3 353.382 2.687 20 30 FFEDHM N#Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c[nH]1 ZINC000826383689 609434165 /nfs/dbraw/zinc/43/41/65/609434165.db2.gz LRRMVJISFRWZRC-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c[nH]1 ZINC000826383689 609434166 /nfs/dbraw/zinc/43/41/66/609434166.db2.gz LRRMVJISFRWZRC-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM C#Cc1cccc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823861258 609442816 /nfs/dbraw/zinc/44/28/16/609442816.db2.gz BIAUJJDLETVIHH-UHFFFAOYSA-N -1 3 355.405 2.861 20 30 FFEDHM C#Cc1cccc(NCc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823861258 609442819 /nfs/dbraw/zinc/44/28/19/609442819.db2.gz BIAUJJDLETVIHH-UHFFFAOYSA-N -1 3 355.405 2.861 20 30 FFEDHM Cc1nn2c(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)c(C)nc2s1 ZINC000826335103 609473862 /nfs/dbraw/zinc/47/38/62/609473862.db2.gz YIRBXYHQJGJUOT-UHFFFAOYSA-N -1 3 373.833 2.687 20 30 FFEDHM CC(=NNC(=S)NCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000746494628 735488265 /nfs/dbraw/zinc/48/82/65/735488265.db2.gz FMDZOCRAPVRBRI-UHFFFAOYSA-N -1 3 370.194 2.905 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCSCC)ccc1F ZINC000173297790 729043461 /nfs/dbraw/zinc/04/34/61/729043461.db2.gz OGGHLVQVCFWMKD-LBPRGKRZSA-N -1 3 374.503 2.552 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2F)ccc1F ZINC000179886876 729197741 /nfs/dbraw/zinc/19/77/41/729197741.db2.gz FOJOQWRSCQVXSO-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C)CCCCC2)ccc1F ZINC000194856065 729522881 /nfs/dbraw/zinc/52/28/81/729522881.db2.gz BMUZLCNUTGUUPN-UHFFFAOYSA-N -1 3 354.447 2.743 20 30 FFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000859426076 730454422 /nfs/dbraw/zinc/45/44/22/730454422.db2.gz NMJIITNZFGMTGX-SNVBAGLBSA-N -1 3 366.302 2.526 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000862397715 730697170 /nfs/dbraw/zinc/69/71/70/730697170.db2.gz WIATVOSJGAMRDT-UHFFFAOYSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C)(C(=O)[O-])CC1 ZINC000647373392 730739431 /nfs/dbraw/zinc/73/94/31/730739431.db2.gz HDETVCUJUMOKKM-CQSZACIVSA-N -1 3 350.484 2.838 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866288980 731046808 /nfs/dbraw/zinc/04/68/08/731046808.db2.gz RLDAWWHZPMMBFV-UHFFFAOYSA-N -1 3 350.300 2.757 20 30 FFEDHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@H]1CCCN([O-])C1=O ZINC000878002039 732465444 /nfs/dbraw/zinc/46/54/44/732465444.db2.gz LFOSHFAZUDCHAU-ZDUSSCGKSA-N -1 3 366.849 2.832 20 30 FFEDHM O=C(Nc1ccc(OC(F)(F)F)cc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000880156122 732857372 /nfs/dbraw/zinc/85/73/72/732857372.db2.gz XJKWCDBYGDYPRN-JTQLQIEISA-N -1 3 367.711 2.740 20 30 FFEDHM N#CC1(C[C@@H](O)CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CCC1 ZINC000886309303 733772511 /nfs/dbraw/zinc/77/25/11/733772511.db2.gz ZJYLUEXSHSDIST-MRXNPFEDSA-N -1 3 363.889 2.608 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000730732151 734646135 /nfs/dbraw/zinc/64/61/35/734646135.db2.gz CXMIVPRVDSTURB-HMBXTHQTSA-N -1 3 354.328 2.759 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000730732148 734646416 /nfs/dbraw/zinc/64/64/16/734646416.db2.gz CXMIVPRVDSTURB-CROWGAHTSA-N -1 3 354.328 2.759 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(O)cc2C)ccc1F ZINC000748087218 735616889 /nfs/dbraw/zinc/61/68/89/735616889.db2.gz IKBUSQGWUWJJJJ-UHFFFAOYSA-N -1 3 364.398 2.556 20 30 FFEDHM C=CCOCCNCc1cc(C)cc(Br)c1OCC(=O)[O-] ZINC000902480115 735950916 /nfs/dbraw/zinc/95/09/16/735950916.db2.gz VUWZOFSUSYIJCX-UHFFFAOYSA-N -1 3 358.232 2.513 20 30 FFEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2cnc(Br)s2)n1 ZINC000903687404 736153223 /nfs/dbraw/zinc/15/32/23/736153223.db2.gz XDVFIJAJCHTULK-UHFFFAOYSA-N -1 3 354.233 2.981 20 30 FFEDHM [O-]c1ccc(Br)cc1/C=N/CC1(C2(O)CCOCC2)CC1 ZINC000905003502 736285346 /nfs/dbraw/zinc/28/53/46/736285346.db2.gz TZVPAYMEVWJFHV-VCHYOVAHSA-N -1 3 354.244 2.895 20 30 FFEDHM C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000757010897 736383171 /nfs/dbraw/zinc/38/31/71/736383171.db2.gz VNFOPLFGCWFLNH-MRVPVSSYSA-N -1 3 363.266 2.738 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000758453500 736490385 /nfs/dbraw/zinc/49/03/85/736490385.db2.gz VSCFFBCPAAOCRZ-UHFFFAOYSA-N -1 3 364.236 2.679 20 30 FFEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)nc1 ZINC000761804811 736762451 /nfs/dbraw/zinc/76/24/51/736762451.db2.gz HLUJBUHBEZFWBH-OAHLLOKOSA-N -1 3 353.407 2.665 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1 ZINC000908946885 736862206 /nfs/dbraw/zinc/86/22/06/736862206.db2.gz VSXJIHCSPXKBRH-QGZVFWFLSA-N -1 3 351.491 2.750 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000909000149 736869618 /nfs/dbraw/zinc/86/96/18/736869618.db2.gz GHDNNBKCRVMVCB-KBMXLJTQSA-N -1 3 365.861 2.544 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000909000146 736869782 /nfs/dbraw/zinc/86/97/82/736869782.db2.gz GHDNNBKCRVMVCB-BMFZPTHFSA-N -1 3 365.861 2.544 20 30 FFEDHM C=CCOc1ccc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000764844570 737055437 /nfs/dbraw/zinc/05/54/37/737055437.db2.gz JCURLKBUTZWRNQ-UHFFFAOYSA-N -1 3 361.419 2.980 20 30 FFEDHM O=C(C1CC1)N1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000912782348 737338032 /nfs/dbraw/zinc/33/80/32/737338032.db2.gz LUELDWBWJAQRAD-VCHYOVAHSA-N -1 3 351.244 2.975 20 30 FFEDHM C[C@H](CC(F)(F)F)[N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000768288332 737411749 /nfs/dbraw/zinc/41/17/49/737411749.db2.gz YQCCBRMCKHLCSH-GSVOUGTGSA-N -1 3 364.192 2.778 20 30 FFEDHM C#C[C@@H](C)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000770363644 737619351 /nfs/dbraw/zinc/61/93/51/737619351.db2.gz ANZPBGNDDHXDHI-SECBINFHSA-N -1 3 371.281 2.873 20 30 FFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000770390450 737621689 /nfs/dbraw/zinc/62/16/89/737621689.db2.gz NHMKKMRTOYPHNK-SECBINFHSA-N -1 3 364.250 2.860 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(N3CCSCC3)cc2)c1[O-] ZINC000915981022 737669003 /nfs/dbraw/zinc/66/90/03/737669003.db2.gz JMDHBUSMYQLLQJ-NDENLUEZSA-N -1 3 357.479 2.760 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)ccc1F ZINC000785636951 738984834 /nfs/dbraw/zinc/98/48/34/738984834.db2.gz DLEGGXSNDOBEQJ-UKRRQHHQSA-N -1 3 368.474 2.989 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnc(-c2ccccc2)nc1 ZINC000920383755 737904535 /nfs/dbraw/zinc/90/45/35/737904535.db2.gz KBKPOGLYOJAZMC-UHFFFAOYSA-N -1 3 352.419 2.597 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C(F)F)n2)cc1Cl ZINC000776076275 738158867 /nfs/dbraw/zinc/15/88/67/738158867.db2.gz DUMIZTZGHNQGFE-SECBINFHSA-N -1 3 368.727 2.901 20 30 FFEDHM O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000930471875 739114448 /nfs/dbraw/zinc/11/44/48/739114448.db2.gz VJTTVNHHXBTTAN-UHFFFAOYSA-N -1 3 360.193 2.534 20 30 FFEDHM O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000930471875 739114450 /nfs/dbraw/zinc/11/44/50/739114450.db2.gz VJTTVNHHXBTTAN-UHFFFAOYSA-N -1 3 360.193 2.534 20 30 FFEDHM COc1cc(C(=O)/C=C/c2c(F)ccc([O-])c2F)ccc1S(C)(=O)=O ZINC000794936710 739944604 /nfs/dbraw/zinc/94/46/04/739944604.db2.gz YTQAZOFINZKFAT-GQCTYLIASA-N -1 3 368.357 2.979 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000797841032 740279343 /nfs/dbraw/zinc/27/93/43/740279343.db2.gz HRIHAAMDEUUQKH-CABZTGNLSA-N -1 3 351.255 2.648 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000811185003 741491517 /nfs/dbraw/zinc/49/15/17/741491517.db2.gz WPNVZZGUFBOIGZ-MRXNPFEDSA-N -1 3 356.765 2.880 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(NN=C2CCc3c2ccc([O-])c3F)cc1 ZINC000812230803 741598691 /nfs/dbraw/zinc/59/86/91/741598691.db2.gz CRHYTUIPGQAYPX-UHFFFAOYSA-N -1 3 363.414 2.544 20 30 FFEDHM CC(C)(C)c1cnc(C=N[N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000814859436 741870322 /nfs/dbraw/zinc/87/03/22/741870322.db2.gz UXYJSSZVMXVNHT-UHFFFAOYSA-N -1 3 351.497 2.937 20 30 FFEDHM CCCOc1c(Cl)cc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1OCC ZINC000816756351 742058807 /nfs/dbraw/zinc/05/88/07/742058807.db2.gz VTVLOQBCIFMYCP-ZDUSSCGKSA-N -1 3 370.833 2.638 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000816753120 742059075 /nfs/dbraw/zinc/05/90/75/742059075.db2.gz ZQBNAFVHMWIUQB-LLVKDONJSA-N -1 3 351.815 2.574 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C3CC3)CC2)ccc1F ZINC000816904559 742070577 /nfs/dbraw/zinc/07/05/77/742070577.db2.gz SINRPOBJJWPWGT-UHFFFAOYSA-N -1 3 366.458 2.552 20 30 FFEDHM Cc1c2cc(Br)ccc2sc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820136955 742466656 /nfs/dbraw/zinc/46/66/56/742466656.db2.gz HLHISQHMUXIWDY-SNVBAGLBSA-N -1 3 369.240 2.692 20 30 FFEDHM C=C[C@@H](C)ONC(=O)c1cccc(Cl)c1CC(=O)[N-]O[C@@H](C)C=C ZINC000824233536 743041278 /nfs/dbraw/zinc/04/12/78/743041278.db2.gz UAYFURDIXVJSEW-NWDGAFQWSA-N -1 3 352.818 2.741 20 30 FFEDHM N#Cc1ccncc1N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825974585 743351173 /nfs/dbraw/zinc/35/11/73/743351173.db2.gz BWSVECCJXHQVOO-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C=CCO[N-]C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C ZINC000837043510 746355397 /nfs/dbraw/zinc/35/53/97/746355397.db2.gz CXLLRKRYTSKAIM-UHFFFAOYSA-N -1 3 354.332 2.679 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C2CC2)C2CCC2)ccc1F ZINC000837248269 746403284 /nfs/dbraw/zinc/40/32/84/746403284.db2.gz BCGGHUUPFYYLJG-KRWDZBQOSA-N -1 3 366.458 2.599 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000839444709 746829465 /nfs/dbraw/zinc/82/94/65/746829465.db2.gz JBHHNEQKYZPVON-TZMCWYRMSA-N -1 3 366.414 2.529 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cn1cc(Br)cn1 ZINC000845839692 748335130 /nfs/dbraw/zinc/33/51/30/748335130.db2.gz VRWYVEOGQOHFTB-AWEZNQCLSA-N -1 3 372.222 2.655 20 30 FFEDHM C[C@@H](CC(=O)OCCCC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000849735860 749215907 /nfs/dbraw/zinc/21/59/07/749215907.db2.gz NMQYPKZEJDCTSW-ZDUSSCGKSA-N -1 3 364.467 2.627 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C(C)C)cc2)nc(C)n1 ZINC000049407234 845188243 /nfs/dbraw/zinc/18/82/43/845188243.db2.gz SAKONWBUQYTOHF-INIZCTEOSA-N -1 3 357.435 2.766 20 30 FFEDHM CCN(CC)S(=O)(=O)c1ccc(C)c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493797 970843238 /nfs/dbraw/zinc/84/32/38/970843238.db2.gz BLIYYELDDWTXKE-QGZVFWFLSA-N -1 3 371.462 2.911 20 30 FFEDHM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736772538 944888144 /nfs/dbraw/zinc/88/81/44/944888144.db2.gz FGPJCZAKXBWFCW-SJLPKXTDSA-N -1 3 373.420 2.547 20 30 FFEDHM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736772538 944888149 /nfs/dbraw/zinc/88/81/49/944888149.db2.gz FGPJCZAKXBWFCW-SJLPKXTDSA-N -1 3 373.420 2.547 20 30 FFEDHM CC#CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823937344 946521426 /nfs/dbraw/zinc/52/14/26/946521426.db2.gz SUTGVJFHOCIGMW-AWEZNQCLSA-N -1 3 360.421 2.917 20 30 FFEDHM CC#CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823937344 946521435 /nfs/dbraw/zinc/52/14/35/946521435.db2.gz SUTGVJFHOCIGMW-AWEZNQCLSA-N -1 3 360.421 2.917 20 30 FFEDHM C#CC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573280058 946655391 /nfs/dbraw/zinc/65/53/91/946655391.db2.gz MRFKHSZEKVRJMY-UHFFFAOYSA-N -1 3 363.381 2.587 20 30 FFEDHM C#CC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573280058 946655397 /nfs/dbraw/zinc/65/53/97/946655397.db2.gz MRFKHSZEKVRJMY-UHFFFAOYSA-N -1 3 363.381 2.587 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573280785 946668218 /nfs/dbraw/zinc/66/82/18/946668218.db2.gz RWEVBHYGUSIRHU-HNNXBMFYSA-N -1 3 356.430 2.823 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573280785 946668224 /nfs/dbraw/zinc/66/82/24/946668224.db2.gz RWEVBHYGUSIRHU-HNNXBMFYSA-N -1 3 356.430 2.823 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001573558749 946942221 /nfs/dbraw/zinc/94/22/21/946942221.db2.gz PDJVBQDTCJEKQR-IBGZPJMESA-N -1 3 364.384 2.651 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001573558749 946942236 /nfs/dbraw/zinc/94/22/36/946942236.db2.gz PDJVBQDTCJEKQR-IBGZPJMESA-N -1 3 364.384 2.651 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC001573300756 947120189 /nfs/dbraw/zinc/12/01/89/947120189.db2.gz UHHSHZAGFRJSTD-HNNXBMFYSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC001573300756 947120194 /nfs/dbraw/zinc/12/01/94/947120194.db2.gz UHHSHZAGFRJSTD-HNNXBMFYSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@H](CC)C1 ZINC001573300946 947126847 /nfs/dbraw/zinc/12/68/47/947126847.db2.gz WTFPAPXJNMWDMZ-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@H](CC)C1 ZINC001573300946 947126854 /nfs/dbraw/zinc/12/68/54/947126854.db2.gz WTFPAPXJNMWDMZ-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573316677 947279823 /nfs/dbraw/zinc/27/98/23/947279823.db2.gz YCDXXRYAHOJSFR-ZIAGYGMSSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573316677 947279838 /nfs/dbraw/zinc/27/98/38/947279838.db2.gz YCDXXRYAHOJSFR-ZIAGYGMSSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCn1c(C2CC2)nnc1N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573347777 947576207 /nfs/dbraw/zinc/57/62/07/947576207.db2.gz HSRAWDUPJKOVGC-UHFFFAOYSA-N -1 3 362.441 2.691 20 30 FFEDHM C=CCn1c(C2CC2)nnc1N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573347777 947576215 /nfs/dbraw/zinc/57/62/15/947576215.db2.gz HSRAWDUPJKOVGC-UHFFFAOYSA-N -1 3 362.441 2.691 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC001594298585 957889639 /nfs/dbraw/zinc/88/96/39/957889639.db2.gz XOTUGQUDSDEIML-OKZBNKHCSA-N -1 3 371.481 2.981 20 30 FFEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000134152944 962319335 /nfs/dbraw/zinc/31/93/35/962319335.db2.gz MVFBVSYJRDWHNP-MRXNPFEDSA-N -1 3 371.343 2.628 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)cc([N+](=O)[O-])c1 ZINC000121778058 966277479 /nfs/dbraw/zinc/27/74/79/966277479.db2.gz JDYYOZHLKGPGRP-AWEZNQCLSA-N -1 3 353.334 2.873 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1[O-] ZINC000899232923 977029182 /nfs/dbraw/zinc/02/91/82/977029182.db2.gz XPXZZXAFEJQTPI-QOZCVYQNSA-N -1 3 361.442 2.547 20 30 FFEDHM Cc1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1-n1nnnc1C(C)C ZINC000783686023 979760440 /nfs/dbraw/zinc/76/04/40/979760440.db2.gz VCPRINQLZDNCDR-UHFFFAOYSA-N -1 3 366.425 2.746 20 30 FFEDHM O=C(C[C@@H]1CCC(F)(F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904186330 980204634 /nfs/dbraw/zinc/20/46/34/980204634.db2.gz VZSOOXVQYFBUBX-LBPRGKRZSA-N -1 3 366.364 2.716 20 30 FFEDHM C=C1CC(C)(C(=O)N2C[C@H]3CCN(C(=O)c4ccccc4[O-])C[C@H]3C2)C1 ZINC000986637383 980255112 /nfs/dbraw/zinc/25/51/12/980255112.db2.gz JHGZURACQQLLKN-CVEARBPZSA-N -1 3 354.450 2.669 20 30 FFEDHM N#Cc1cc(Br)ccc1C(=O)[N-]N1CCc2ccccc2C1=O ZINC001152113828 1032105392 /nfs/dbraw/zinc/10/53/92/1032105392.db2.gz KIHAQUSEPMBVJP-UHFFFAOYSA-N -1 3 370.206 2.664 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cc2n(n1)CCCO2 ZINC000763932598 983948260 /nfs/dbraw/zinc/94/82/60/983948260.db2.gz SRLGGPFGYCDKSB-OAHLLOKOSA-N -1 3 360.373 2.780 20 30 FFEDHM O=C(Nc1ccccc1COc1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000878389865 1015022499 /nfs/dbraw/zinc/02/24/99/1015022499.db2.gz WUNGEIGBFFEVJE-QGZVFWFLSA-N -1 3 355.394 2.767 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000913695934 986843240 /nfs/dbraw/zinc/84/32/40/986843240.db2.gz VQITYHQAVHCUJB-UHFFFAOYSA-N -1 3 350.422 2.797 20 30 FFEDHM O=C(NC1CC1)c1cc(F)c([N-]N=C2C(=O)Nc3cc(F)ccc32)c(F)c1 ZINC000763183087 989182254 /nfs/dbraw/zinc/18/22/54/989182254.db2.gz KLGYBMHBTNPMKU-UHFFFAOYSA-N -1 3 374.322 2.764 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc(C)c1 ZINC000917424301 990218258 /nfs/dbraw/zinc/21/82/58/990218258.db2.gz KKZYKVZHKXWAKZ-QGZVFWFLSA-N -1 3 359.389 2.845 20 30 FFEDHM C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001079432325 992111354 /nfs/dbraw/zinc/11/13/54/992111354.db2.gz FKMFEUOSYBMRKU-FZKQIMNGSA-N -1 3 353.397 2.653 20 30 FFEDHM C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000185360575 993297030 /nfs/dbraw/zinc/29/70/30/993297030.db2.gz SEZVRNVASVCYTC-CQSZACIVSA-N -1 3 372.446 2.556 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000811184066 995050689 /nfs/dbraw/zinc/05/06/89/995050689.db2.gz GPMOLMVPNQAKBH-SFHVURJKSA-N -1 3 350.374 2.612 20 30 FFEDHM CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811187138 995052096 /nfs/dbraw/zinc/05/20/96/995052096.db2.gz KXGOLRHKIAINRX-LBPRGKRZSA-N -1 3 354.362 2.847 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000811187745 995053981 /nfs/dbraw/zinc/05/39/81/995053981.db2.gz WREXOQLDCKZBPR-QWHCGFSZSA-N -1 3 350.374 2.787 20 30 FFEDHM COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188746 995054051 /nfs/dbraw/zinc/05/40/51/995054051.db2.gz WKBLGJIYGJFBJT-GFCCVEGCSA-N -1 3 354.362 2.765 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1Cc2ccccc2C(=O)O1 ZINC000845840618 998671635 /nfs/dbraw/zinc/67/16/35/998671635.db2.gz MXVLLBYLRJGWCC-MSOLQXFVSA-N -1 3 359.381 2.778 20 30 FFEDHM N#CC(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)=C([O-])C1(c2ccccc2)CC1 ZINC000845840618 998671637 /nfs/dbraw/zinc/67/16/37/998671637.db2.gz MXVLLBYLRJGWCC-MSOLQXFVSA-N -1 3 359.381 2.778 20 30 FFEDHM COC(=O)c1cccc(CN[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1C#N ZINC001598996224 998781796 /nfs/dbraw/zinc/78/17/96/998781796.db2.gz QGHUOAHIOOSTMW-KSSFIOAISA-N -1 3 366.417 2.766 20 30 FFEDHM N#Cc1ccc(CN[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])c(F)c1 ZINC001085178848 999073144 /nfs/dbraw/zinc/07/31/44/999073144.db2.gz YLESFHJUICKKFP-IAGOWNOFSA-N -1 3 368.412 2.629 20 30 FFEDHM C#C[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000744179994 999846256 /nfs/dbraw/zinc/84/62/56/999846256.db2.gz RXLNMBAVPOLYHL-AWEZNQCLSA-N -1 3 373.430 2.983 20 30 FFEDHM CCCCOc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1OC ZINC000769818073 1000598515 /nfs/dbraw/zinc/59/85/15/1000598515.db2.gz FAFZBNPTCNNHMX-UHFFFAOYSA-N -1 3 370.413 2.702 20 30 FFEDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000770086484 1000672124 /nfs/dbraw/zinc/67/21/24/1000672124.db2.gz GBRKIORRWWSUGK-MRXNPFEDSA-N -1 3 373.434 2.539 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C3CC3)on2)c(C)c1[O-] ZINC001146922685 1000791423 /nfs/dbraw/zinc/79/14/23/1000791423.db2.gz UPTAPZRPNPQFJR-UHFFFAOYSA-N -1 3 355.350 2.867 20 30 FFEDHM Cc1ccc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)cc1NC(=O)c1cccc(C#N)c1 ZINC001171365580 1001761745 /nfs/dbraw/zinc/76/17/45/1001761745.db2.gz DVHAMRCOTLKPFR-UGSOOPFHSA-N -1 3 364.405 2.767 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](O)c2ccc(C)cc2)c(C)c1[O-] ZINC001183645582 1002333340 /nfs/dbraw/zinc/33/33/40/1002333340.db2.gz MPZOAQFHMLVRKX-GOSISDBHSA-N -1 3 368.389 2.730 20 30 FFEDHM CNC(=O)COc1cccc(CC(=O)N([O-])CCCCc2ccccc2)c1 ZINC001184293238 1002564743 /nfs/dbraw/zinc/56/47/43/1002564743.db2.gz LEJJAVMABAVYRL-UHFFFAOYSA-N -1 3 370.449 2.595 20 30 FFEDHM Cc1cccc([C@@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196711405 1003922667 /nfs/dbraw/zinc/92/26/67/1003922667.db2.gz LZGXWQVHGMITGV-OAHLLOKOSA-N -1 3 350.827 2.532 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)ccc1Br ZINC001197330334 1004179441 /nfs/dbraw/zinc/17/94/41/1004179441.db2.gz VMNAVSSNTFNBGW-LLVKDONJSA-N -1 3 365.199 2.787 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)cc(C)c1I ZINC001193148897 1004390995 /nfs/dbraw/zinc/39/09/95/1004390995.db2.gz HGTSSACZUOPKNN-VIFPVBQESA-N -1 3 364.208 2.562 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001193152033 1004392656 /nfs/dbraw/zinc/39/26/56/1004392656.db2.gz ZRPVDONYNGASIM-LBPRGKRZSA-N -1 3 365.455 2.634 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nc(Cl)ncc2C)c(C)c1[O-] ZINC001193243685 1004417005 /nfs/dbraw/zinc/41/70/05/1004417005.db2.gz DDMILCNPZMBCBW-UHFFFAOYSA-N -1 3 374.784 2.753 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(CC#N)c2)cc1F ZINC001194991218 1004866512 /nfs/dbraw/zinc/86/65/12/1004866512.db2.gz GQCFYIUJDCTRJC-UHFFFAOYSA-N -1 3 365.361 2.655 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(F)c2Br)CCCC1 ZINC001201788728 1005273756 /nfs/dbraw/zinc/27/37/56/1005273756.db2.gz MGDQQXTYEPMEFJ-UHFFFAOYSA-N -1 3 361.236 2.950 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000776276083 1005342448 /nfs/dbraw/zinc/34/24/48/1005342448.db2.gz XQBAIJKTNHMLHY-QGZVFWFLSA-N -1 3 354.337 2.580 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001490222006 1005671668 /nfs/dbraw/zinc/67/16/68/1005671668.db2.gz XEIPHHCRSSGXKO-VFNWGFHPSA-N -1 3 356.466 2.915 20 30 FFEDHM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187230986 1005967992 /nfs/dbraw/zinc/96/79/92/1005967992.db2.gz AXTOZIPZFBTWQE-VURMDHGXSA-N -1 3 353.387 2.940 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CCOCC1 ZINC000853858377 1006558701 /nfs/dbraw/zinc/55/87/01/1006558701.db2.gz IFDSMQCCARZERW-KRWDZBQOSA-N -1 3 366.421 2.708 20 30 FFEDHM Cn1cnc([N-]C(=O)c2cc(F)c(Cl)c(C#N)c2Cl)c2ncnc1-2 ZINC001189816703 1007289316 /nfs/dbraw/zinc/28/93/16/1007289316.db2.gz AEIIPTBXVRUSFI-UHFFFAOYSA-N -1 3 365.155 2.885 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CC=C)C2)ccc1F ZINC000855438416 1007338553 /nfs/dbraw/zinc/33/85/53/1007338553.db2.gz HTTKZUDPWWYDSY-CQSZACIVSA-N -1 3 366.458 2.718 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000855716846 1007517853 /nfs/dbraw/zinc/51/78/53/1007517853.db2.gz UMGMURUASQVQGQ-MSOLQXFVSA-N -1 3 351.406 2.503 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(=O)[n-]c1Cl ZINC001190917271 1007848810 /nfs/dbraw/zinc/84/88/10/1007848810.db2.gz CIDPOWWETGFIIN-AWEZNQCLSA-N -1 3 360.797 2.511 20 30 FFEDHM Cc1c(F)cccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190999801 1007865501 /nfs/dbraw/zinc/86/55/01/1007865501.db2.gz YOKNZGPIZUMQEM-OAHLLOKOSA-N -1 3 368.817 2.671 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000820476887 1008339394 /nfs/dbraw/zinc/33/93/94/1008339394.db2.gz RDNXNQBEBVXAJL-DLBZAZTESA-N -1 3 374.824 2.957 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1[n-]nc(C)c1C(=O)Nc1ccccc1OC ZINC001170972650 1008503004 /nfs/dbraw/zinc/50/30/04/1008503004.db2.gz FWMCXTRJUJSEPU-CYBMUJFWSA-N -1 3 372.425 2.899 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C2CCOCC2)C1 ZINC000886142198 1008585924 /nfs/dbraw/zinc/58/59/24/1008585924.db2.gz XCWJJRJRDDXLBN-QGZVFWFLSA-N -1 3 371.481 2.874 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 ZINC000860468209 1009018093 /nfs/dbraw/zinc/01/80/93/1009018093.db2.gz IYADEZYZLAQIRA-VOBQZIQPSA-N -1 3 354.406 2.764 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2Cc3ccccc3O2)c(C)c1[O-] ZINC001178942445 1009202246 /nfs/dbraw/zinc/20/22/46/1009202246.db2.gz VEDITAJLLXFLIK-MRXNPFEDSA-N -1 3 366.373 2.691 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000126049165 1009212355 /nfs/dbraw/zinc/21/23/55/1009212355.db2.gz XPFBTCUJFZUIBY-SFHVURJKSA-N -1 3 363.461 2.887 20 30 FFEDHM N#Cc1cccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)c1 ZINC001212837493 1009477382 /nfs/dbraw/zinc/47/73/82/1009477382.db2.gz NYSUWLWHTUGHFW-UHFFFAOYSA-N -1 3 361.115 2.669 20 30 FFEDHM N#Cc1cccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)c1 ZINC001212837493 1009477386 /nfs/dbraw/zinc/47/73/86/1009477386.db2.gz NYSUWLWHTUGHFW-UHFFFAOYSA-N -1 3 361.115 2.669 20 30 FFEDHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 ZINC001181353573 1010079180 /nfs/dbraw/zinc/07/91/80/1010079180.db2.gz FTGNVMZJIQNIHV-AWEZNQCLSA-N -1 3 363.458 2.893 20 30 FFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)CC1(C#N)CCCCC1 ZINC001181353573 1010079192 /nfs/dbraw/zinc/07/91/92/1010079192.db2.gz FTGNVMZJIQNIHV-AWEZNQCLSA-N -1 3 363.458 2.893 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001182074750 1010377364 /nfs/dbraw/zinc/37/73/64/1010377364.db2.gz IQLVNHBSIDIMSD-UHFFFAOYSA-N -1 3 351.362 2.824 20 30 FFEDHM CCO[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C1CCOCC1 ZINC000870454397 1012389611 /nfs/dbraw/zinc/38/96/11/1012389611.db2.gz JXYSKEZEOOYWRS-HKUYNNGSSA-N -1 3 355.434 2.828 20 30 FFEDHM N#CCCCN1CCC2(CCN(Cc3ccc(C(=O)[O-])cc3)CC2)C1=O ZINC001275654358 1012770879 /nfs/dbraw/zinc/77/08/79/1012770879.db2.gz HBIMWBIMSMLMMD-UHFFFAOYSA-N -1 3 355.438 2.503 20 30 FFEDHM N#CCCCN1CC[C@]2(CCCN2C(=O)c2cc([O-])cc(Cl)c2)C1=O ZINC001275687132 1012862766 /nfs/dbraw/zinc/86/27/66/1012862766.db2.gz ZNFSXYGKYHBFOY-GOSISDBHSA-N -1 3 361.829 2.556 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110891822 1017253512 /nfs/dbraw/zinc/25/35/12/1017253512.db2.gz BFTFJICQWGHMRQ-ZACQAIPSSA-N -1 3 370.497 2.883 20 30 FFEDHM O=C(Nc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1)[C@@H]1CCCO1 ZINC000901376639 1019018194 /nfs/dbraw/zinc/01/81/94/1019018194.db2.gz WZXZAMDIUCJBEP-KRWDZBQOSA-N -1 3 358.369 2.975 20 30 FFEDHM COc1cccc([O-])c1C(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000900847102 1020681183 /nfs/dbraw/zinc/68/11/83/1020681183.db2.gz WQKUVPAMXODESV-UHFFFAOYSA-N -1 3 351.406 2.671 20 30 FFEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ccccc2[O-])C1 ZINC001009441006 1021353204 /nfs/dbraw/zinc/35/32/04/1021353204.db2.gz WANHTGJGBYCEGL-BTYIYWSLSA-N -1 3 356.466 2.963 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(C#N)nc1 ZINC000115903859 1022367102 /nfs/dbraw/zinc/36/71/02/1022367102.db2.gz YIENXCDXFXYQOZ-ZDUSSCGKSA-N -1 3 368.780 2.885 20 30 FFEDHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC001120083398 1023233537 /nfs/dbraw/zinc/23/35/37/1023233537.db2.gz ABOPYUUEYHODQB-UHFFFAOYSA-N -1 3 350.422 2.701 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1csc(CC)n1 ZINC001122496576 1023305027 /nfs/dbraw/zinc/30/50/27/1023305027.db2.gz YMTAPCKJGURSRB-UHFFFAOYSA-N -1 3 360.443 2.870 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1C1CC1 ZINC001122547406 1023331491 /nfs/dbraw/zinc/33/14/91/1023331491.db2.gz RCSMICLDUNAEAJ-OAHLLOKOSA-N -1 3 352.394 2.750 20 30 FFEDHM C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2cc(F)ccc2[O-])C1=O ZINC000755607803 1023614286 /nfs/dbraw/zinc/61/42/86/1023614286.db2.gz FUJPDAORLXSEGN-IBGZPJMESA-N -1 3 355.369 2.809 20 30 FFEDHM N#Cc1cc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1F ZINC000758928461 1024377819 /nfs/dbraw/zinc/37/78/19/1024377819.db2.gz IQBZMVAUYIFFGH-QGZVFWFLSA-N -1 3 368.364 2.751 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(F)c(C#N)c2)c([O-])c1 ZINC000758944010 1024385741 /nfs/dbraw/zinc/38/57/41/1024385741.db2.gz UELXCMIJAHLWDG-UHFFFAOYSA-N -1 3 356.353 2.575 20 30 FFEDHM CC[C@@](C/N=C/c1c([O-])c(C)ncc1CO)(C(=O)OC)c1ccccc1 ZINC000840711692 1027225491 /nfs/dbraw/zinc/22/54/91/1027225491.db2.gz BOAWJSOYEATQCN-XACCNFBGSA-N -1 3 356.422 2.528 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC001160173433 1027621485 /nfs/dbraw/zinc/62/14/85/1027621485.db2.gz IDRKCMKRJUKXFR-XPTSAGLGSA-N -1 3 368.771 2.672 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cc(-c2ccccc2)nnc1Cl ZINC001160176300 1027623690 /nfs/dbraw/zinc/62/36/90/1027623690.db2.gz KZTPQCHJTXYTHN-ZANVPECISA-N -1 3 368.771 2.672 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001160178923 1027626548 /nfs/dbraw/zinc/62/65/48/1027626548.db2.gz PNSTWKZSJGGIMH-UFBFGSQYSA-N -1 3 357.744 2.870 20 30 FFEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1ncn2ccccc12 ZINC001153043826 1027755613 /nfs/dbraw/zinc/75/56/13/1027755613.db2.gz CDLJUINXGYOZRR-UHFFFAOYSA-N -1 3 364.283 2.799 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094063119 1027904591 /nfs/dbraw/zinc/90/45/91/1027904591.db2.gz CDRZYFZYURABON-UHFFFAOYSA-N -1 3 374.462 2.635 20 30 FFEDHM Cc1cn2c(ncc(C(=O)N([O-])CCCCc3ccccc3)c2=O)s1 ZINC001161819239 1028323736 /nfs/dbraw/zinc/32/37/36/1028323736.db2.gz PTLPVIRCLVADKE-UHFFFAOYSA-N -1 3 357.435 2.919 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)N[C@@H](c3ncccc3F)C3CC3)cc(=O)c2c1 ZINC001154559758 1028355441 /nfs/dbraw/zinc/35/54/41/1028355441.db2.gz AFFIPUJTWBKAKU-GOSISDBHSA-N -1 3 362.364 2.815 20 30 FFEDHM C[Si](C)(C)C#Cc1ccc(-n2c3[n-]c(=O)sc3c(=O)nc2N)cc1 ZINC001163048302 1028770796 /nfs/dbraw/zinc/77/07/96/1028770796.db2.gz KAKUCPFTRVZKNM-UHFFFAOYSA-N -1 3 356.483 2.602 20 30 FFEDHM N#Cc1cc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ncc1Br ZINC001164047219 1029156919 /nfs/dbraw/zinc/15/69/19/1029156919.db2.gz ZVWUIXZOASRFHO-UHFFFAOYSA-N -1 3 358.199 2.609 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C(=O)C=Cc2ccc(F)cc2)[n-]n1 ZINC001142905680 1031029972 /nfs/dbraw/zinc/02/99/72/1031029972.db2.gz MKURVPUVBNVZQG-RMKNXTFCSA-N -1 3 359.357 2.725 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C(=O)C=Cc2ccc(F)cc2)n[n-]1 ZINC001142905680 1031029986 /nfs/dbraw/zinc/02/99/86/1031029986.db2.gz MKURVPUVBNVZQG-RMKNXTFCSA-N -1 3 359.357 2.725 20 30 FFEDHM Cc1cc(=O)c(C#N)c(OC2CCN(C(=O)c3ccc(F)cc3)CC2)[n-]1 ZINC001225469754 1034266849 /nfs/dbraw/zinc/26/68/49/1034266849.db2.gz NUOIIICFPMWXNL-UHFFFAOYSA-N -1 3 355.369 2.790 20 30 FFEDHM Cc1cc(C(=O)[O-])ccc1CN1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001277049332 1034279611 /nfs/dbraw/zinc/27/96/11/1034279611.db2.gz NKSRAGLDSNUWHP-FQEVSTJZSA-N -1 3 355.438 2.564 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665665 1034359962 /nfs/dbraw/zinc/35/99/62/1034359962.db2.gz CXERJTOEGUJJIN-GFCCVEGCSA-N -1 3 351.359 2.640 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001221579492 1034894156 /nfs/dbraw/zinc/89/41/56/1034894156.db2.gz GYYURNWDQADTBW-NVXWUHKLSA-N -1 3 370.497 2.695 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)C2Oc1cc(C#N)ccc1[O-] ZINC001227345669 1035513244 /nfs/dbraw/zinc/51/32/44/1035513244.db2.gz PKPZCRHUTWKTJC-VMZNBEPHSA-N -1 3 360.410 2.525 20 30 FFEDHM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1c(F)ccc([O-])c1F ZINC001233394290 1036593729 /nfs/dbraw/zinc/59/37/29/1036593729.db2.gz IPXXJNDFUMITHR-OAHLLOKOSA-N -1 3 364.396 2.584 20 30 FFEDHM C=C[C@@H](Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O)C(=O)OC ZINC001229543138 1036733263 /nfs/dbraw/zinc/73/32/63/1036733263.db2.gz VIVSFLSNCAHZTB-CQSZACIVSA-N -1 3 352.342 2.582 20 30 FFEDHM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802092 1036768844 /nfs/dbraw/zinc/76/88/44/1036768844.db2.gz GKWYJAXGIFOKKA-QHEBAJJZSA-N -1 3 355.431 2.727 20 30 FFEDHM C=C[C@@H]1C[C@]1([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC ZINC001251374961 1039098208 /nfs/dbraw/zinc/09/82/08/1039098208.db2.gz UAMKNMOFKQPUAI-YMTOWFKASA-N -1 3 364.250 2.780 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(Br)n1 ZINC001259084519 1039698970 /nfs/dbraw/zinc/69/89/70/1039698970.db2.gz CQGLXIAWQXGEJH-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(F)cc1Cl ZINC001259125230 1039731377 /nfs/dbraw/zinc/73/13/77/1039731377.db2.gz QAPGQQIQWNXNBJ-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1F ZINC001259345533 1039925935 /nfs/dbraw/zinc/92/59/35/1039925935.db2.gz BPHDNGDWYOFGFW-UHFFFAOYSA-N -1 3 370.308 2.548 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)c2cccnc2)c(Br)cc1F ZINC001259608458 1040107755 /nfs/dbraw/zinc/10/77/55/1040107755.db2.gz LKPIHCMZNWETJE-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(OC)c([O-])c1Cl ZINC001276736022 1041973798 /nfs/dbraw/zinc/97/37/98/1041973798.db2.gz QCZBEFBOIZJRKT-LJQANCHMSA-N -1 3 362.857 2.644 20 30 FFEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N(Cc1ccccc1)C(C)C ZINC001263338284 1042248698 /nfs/dbraw/zinc/24/86/98/1042248698.db2.gz JQRVESQEXXSGFO-UHFFFAOYSA-N -1 3 366.473 2.568 20 30 FFEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N(Cc1ccccc1)C(C)C ZINC001263338284 1042248704 /nfs/dbraw/zinc/24/87/04/1042248704.db2.gz JQRVESQEXXSGFO-UHFFFAOYSA-N -1 3 366.473 2.568 20 30 FFEDHM Cn1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c2cc(C#N)ccc21 ZINC001237472538 1043186770 /nfs/dbraw/zinc/18/67/70/1043186770.db2.gz JGTRUQPXRFWEGM-UHFFFAOYSA-N -1 3 374.444 2.714 20 30 FFEDHM O=C(Nc1ccc(F)c(C(=O)c2ccccc2)c1)N[C@H]1CCCN([O-])C1=O ZINC001311119106 1043809533 /nfs/dbraw/zinc/80/95/33/1043809533.db2.gz MVQJADIEAOUFJG-INIZCTEOSA-N -1 3 371.368 2.558 20 30 FFEDHM COc1cccc2cc(C[N-]S(=O)(=O)c3ccc(C#N)cc3F)oc21 ZINC001318648436 1044789218 /nfs/dbraw/zinc/78/92/18/1044789218.db2.gz GGVLPZAYHNYEBJ-UHFFFAOYSA-N -1 3 360.366 2.931 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ncc(C#N)cc1Cl ZINC001319218388 1045071289 /nfs/dbraw/zinc/07/12/89/1045071289.db2.gz GYULGRBOJUWWTF-UHFFFAOYSA-N -1 3 354.794 2.729 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccc2c1OCO2 ZINC001317941013 1045176440 /nfs/dbraw/zinc/17/64/40/1045176440.db2.gz RKADYOLETGSEAB-UHFFFAOYSA-N -1 3 369.402 2.769 20 30 FFEDHM COC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cccc(Cl)c1 ZINC001323414409 1045581308 /nfs/dbraw/zinc/58/13/08/1045581308.db2.gz SFNKCQAWCCNEEW-AWEZNQCLSA-N -1 3 350.827 2.766 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC001331722684 1048081560 /nfs/dbraw/zinc/08/15/60/1048081560.db2.gz JAYBXLNXAWPFAW-CQSZACIVSA-N -1 3 367.471 2.539 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2cccc(C#N)c2)o1 ZINC001328429751 1048300033 /nfs/dbraw/zinc/30/00/33/1048300033.db2.gz PVZMOSSYQFYBTL-JTQLQIEISA-N -1 3 360.420 2.709 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@H]1C(F)(F)F ZINC001332588620 1048465359 /nfs/dbraw/zinc/46/53/59/1048465359.db2.gz MLHNICSRYGABGN-AWEZNQCLSA-N -1 3 359.373 2.672 20 30 FFEDHM C#CCCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001292270195 1049230275 /nfs/dbraw/zinc/23/02/75/1049230275.db2.gz PZIGOJSLJYKTLW-KKSFZXQISA-N -1 3 354.450 2.697 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](OCCOC)C3)n2C)c1[O-] ZINC001341824976 1050437303 /nfs/dbraw/zinc/43/73/03/1050437303.db2.gz DIIIFHULINMYMM-INIZCTEOSA-N -1 3 372.469 2.548 20 30 FFEDHM Cc1ccc2nc(-c3ccccc3)cc(C(=O)N[C@H]3CCN([O-])C3=O)c2c1 ZINC001298425583 1050440845 /nfs/dbraw/zinc/44/08/45/1050440845.db2.gz JYDWQPKCTWFZDI-SFHVURJKSA-N -1 3 361.401 2.930 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@H](CF)C1 ZINC001340224774 1050633094 /nfs/dbraw/zinc/63/30/94/1050633094.db2.gz WVVFFNYQAFGWTE-GFCCVEGCSA-N -1 3 358.421 2.690 20 30 FFEDHM N#Cc1cccc(O[N-]C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC001302374142 1051100413 /nfs/dbraw/zinc/10/04/13/1051100413.db2.gz VGYIUEXWZYTCDB-UHFFFAOYSA-N -1 3 363.373 2.516 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)ccc1-n1cncn1 ZINC001342581070 1051186624 /nfs/dbraw/zinc/18/66/24/1051186624.db2.gz WMMKPOZMXQRBTC-OAHLLOKOSA-N -1 3 369.388 2.591 20 30 FFEDHM C#CCCCCCC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001340910837 1051240318 /nfs/dbraw/zinc/24/03/18/1051240318.db2.gz BRYWPLQRLNDOIM-FUHWJXTLSA-N -1 3 354.450 2.649 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001303256094 1051313418 /nfs/dbraw/zinc/31/34/18/1051313418.db2.gz CGODUWQYWMIQSY-UHFFFAOYSA-N -1 3 356.332 2.565 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H](COCC)C1 ZINC001343314376 1052155298 /nfs/dbraw/zinc/15/52/98/1052155298.db2.gz CRLVIXSGPKCCRH-LBPRGKRZSA-N -1 3 365.869 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H](COCC)C1 ZINC001343314376 1052155302 /nfs/dbraw/zinc/15/53/02/1052155302.db2.gz CRLVIXSGPKCCRH-LBPRGKRZSA-N -1 3 365.869 2.546 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCC3)c2)c1 ZINC001343366436 1052187040 /nfs/dbraw/zinc/18/70/40/1052187040.db2.gz NXIVAPMIZDTKIG-QGZVFWFLSA-N -1 3 365.389 2.983 20 30 FFEDHM O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N([O-])CCCCc1ccccc1 ZINC001306896399 1052214777 /nfs/dbraw/zinc/21/47/77/1052214777.db2.gz VUNCQDNXUUUFRH-ROUUACIJSA-N -1 3 363.454 2.928 20 30 FFEDHM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306899789 1052216320 /nfs/dbraw/zinc/21/63/20/1052216320.db2.gz BOCNFXQOTWLJDK-GOSISDBHSA-N -1 3 356.397 2.777 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](C)OC2(CCCC2)C1 ZINC001343668421 1052365560 /nfs/dbraw/zinc/36/55/60/1052365560.db2.gz LCORXQHZVQJEPP-AWEZNQCLSA-N -1 3 370.457 2.555 20 30 FFEDHM C#CC[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)C1 ZINC001346031652 1052714548 /nfs/dbraw/zinc/71/45/48/1052714548.db2.gz BAJKLTVDATXPTK-ZDUSSCGKSA-N -1 3 369.450 2.988 20 30 FFEDHM C=CCO[C@@H]1CCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)C1 ZINC001346032335 1052715155 /nfs/dbraw/zinc/71/51/55/1052715155.db2.gz PLSVFPNDMJVVMJ-GFCCVEGCSA-N -1 3 373.438 2.530 20 30 FFEDHM C=CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC2CC2)C1 ZINC001346101677 1052748891 /nfs/dbraw/zinc/74/88/91/1052748891.db2.gz HJCPAUPHDOFOIF-CQSZACIVSA-N -1 3 354.458 2.952 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cncnc1C ZINC001344539320 1052824331 /nfs/dbraw/zinc/82/43/31/1052824331.db2.gz DLCLIOXOUXBYHQ-LLVKDONJSA-N -1 3 358.785 2.717 20 30 FFEDHM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC001349812592 1055481021 /nfs/dbraw/zinc/48/10/21/1055481021.db2.gz VVVDTEHVUQNKEU-MRXNPFEDSA-N -1 3 361.829 2.858 20 30 FFEDHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N(C)[C@H](C)CC#N ZINC001338792520 1055820523 /nfs/dbraw/zinc/82/05/23/1055820523.db2.gz YNYNUJUOEPRVCT-CQSZACIVSA-N -1 3 363.425 2.761 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001338962834 1055969450 /nfs/dbraw/zinc/96/94/50/1055969450.db2.gz BMBZZOBYDNSSHO-GFCCVEGCSA-N -1 3 366.400 2.890 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCc2ccccc2CC1 ZINC001338963056 1055969872 /nfs/dbraw/zinc/96/98/72/1055969872.db2.gz FVUOYZWRJXDKIG-UHFFFAOYSA-N -1 3 362.437 2.622 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC2(CCSCC2)CC1 ZINC001338963559 1055971203 /nfs/dbraw/zinc/97/12/03/1055971203.db2.gz ODXKFWPBGJQHRQ-UHFFFAOYSA-N -1 3 372.498 2.740 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001339068038 1056063158 /nfs/dbraw/zinc/06/31/58/1056063158.db2.gz FVIZGZNZTALWDC-MRXNPFEDSA-N -1 3 362.437 2.929 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(N(C)C)cn2)cc1 ZINC000847623851 1056196170 /nfs/dbraw/zinc/19/61/70/1056196170.db2.gz OQZIUNKYWMKERN-INIZCTEOSA-N -1 3 365.437 2.846 20 30 FFEDHM N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1Cl ZINC001450153461 1058985707 /nfs/dbraw/zinc/98/57/07/1058985707.db2.gz CXPAYHLXFPYFER-CQSZACIVSA-N -1 3 371.780 2.724 20 30 FFEDHM O=C(CC(Cc1ccccc1)Cc1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000848135954 1059106997 /nfs/dbraw/zinc/10/69/97/1059106997.db2.gz JRKFINOYOCNXOM-HXUWFJFHSA-N -1 3 366.461 2.975 20 30 FFEDHM Cc1nn(CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c2ncccc12 ZINC001515768104 1059786654 /nfs/dbraw/zinc/78/66/54/1059786654.db2.gz PMKVRLXKYHKRIO-QGZVFWFLSA-N -1 3 358.401 2.750 20 30 FFEDHM CC(C)OC(=O)c1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[n-]n1 ZINC001456336829 1060093125 /nfs/dbraw/zinc/09/31/25/1060093125.db2.gz RZNWWOUVXAABCR-UHFFFAOYSA-N -1 3 356.357 2.656 20 30 FFEDHM CC(C)OC(=O)c1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)n[n-]1 ZINC001456336829 1060093147 /nfs/dbraw/zinc/09/31/47/1060093147.db2.gz RZNWWOUVXAABCR-UHFFFAOYSA-N -1 3 356.357 2.656 20 30 FFEDHM COC(=O)c1cc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c([O-])c(OC)c1 ZINC001456746180 1060186710 /nfs/dbraw/zinc/18/67/10/1060186710.db2.gz GHEBIJPRBQMABA-GFCCVEGCSA-N -1 3 368.389 2.876 20 30 FFEDHM CC[C@H](C#N)C(=O)Nc1nc2cc(C(=O)OC)cc(Br)c2[n-]1 ZINC001457014502 1060254376 /nfs/dbraw/zinc/25/43/76/1060254376.db2.gz ITUIWGBMTVSMCU-SSDOTTSWSA-N -1 3 365.187 2.600 20 30 FFEDHM O=C(CN1C(=O)COc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001457995332 1060488225 /nfs/dbraw/zinc/48/82/25/1060488225.db2.gz RFVYBEJZNSBHHX-UHFFFAOYSA-N -1 3 354.406 2.653 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(=O)OCC ZINC001463731520 1062231114 /nfs/dbraw/zinc/23/11/14/1062231114.db2.gz RMVAERASDCKEGY-OAHLLOKOSA-N -1 3 359.875 2.700 20 30 FFEDHM COc1cc(C(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c([N+](=O)[O-])cc1F ZINC001435381174 1062464092 /nfs/dbraw/zinc/46/40/92/1062464092.db2.gz URADKYKHMSRUGE-UHFFFAOYSA-N -1 3 361.333 2.818 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C#Cc2cccs2)cc1OC ZINC001464333923 1062552860 /nfs/dbraw/zinc/55/28/60/1062552860.db2.gz FQNZNWFIRPXXJT-UHFFFAOYSA-N -1 3 364.448 2.509 20 30 FFEDHM N#Cc1cc(C[N-]C(=O)C(F)(F)c2ncccc2Br)ccn1 ZINC001467725906 1063830371 /nfs/dbraw/zinc/83/03/71/1063830371.db2.gz AJSGOOBDXYOPCM-UHFFFAOYSA-N -1 3 367.153 2.519 20 30 FFEDHM O=C(c1cnc2sccn2c1=O)N([O-])Cc1cccc2ccccc21 ZINC001472621944 1065114100 /nfs/dbraw/zinc/11/41/00/1065114100.db2.gz BTSBIPJXUNZIBC-UHFFFAOYSA-N -1 3 351.387 2.941 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N(O)CCCCc1ccccc1 ZINC001579876937 1078703868 /nfs/dbraw/zinc/70/38/68/1078703868.db2.gz QTYIPOQMHGXSCE-UHFFFAOYSA-N -1 3 367.409 2.730 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N(O)CCCCc1ccccc1 ZINC001579876937 1078703877 /nfs/dbraw/zinc/70/38/77/1078703877.db2.gz QTYIPOQMHGXSCE-UHFFFAOYSA-N -1 3 367.409 2.730 20 30 FFEDHM COc1cc(Oc2ncc(-c3nnn[n-]3)cc2Br)ccc1C#N ZINC001579937428 1078720853 /nfs/dbraw/zinc/72/08/53/1078720853.db2.gz KXPHWVQKHKKLKN-UHFFFAOYSA-N -1 3 373.170 2.697 20 30 FFEDHM COc1cc(Oc2ncc(-c3nn[n-]n3)cc2Br)ccc1C#N ZINC001579937428 1078720859 /nfs/dbraw/zinc/72/08/59/1078720859.db2.gz KXPHWVQKHKKLKN-UHFFFAOYSA-N -1 3 373.170 2.697 20 30 FFEDHM COc1ccc(NC(=O)Nc2ccc(CCC#N)cc2)cc1-c1nnn[n-]1 ZINC001580040357 1078737230 /nfs/dbraw/zinc/73/72/30/1078737230.db2.gz PAUJRVYVVLMFRD-UHFFFAOYSA-N -1 3 363.381 2.975 20 30 FFEDHM COc1ccc(NC(=O)Nc2ccc(CCC#N)cc2)cc1-c1nn[n-]n1 ZINC001580040357 1078737233 /nfs/dbraw/zinc/73/72/33/1078737233.db2.gz PAUJRVYVVLMFRD-UHFFFAOYSA-N -1 3 363.381 2.975 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001581138366 1078923708 /nfs/dbraw/zinc/92/37/08/1078923708.db2.gz XCFKNZDGNDOQNT-VNDWYCCKSA-N -1 3 361.405 2.791 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001581138366 1078923712 /nfs/dbraw/zinc/92/37/12/1078923712.db2.gz XCFKNZDGNDOQNT-VNDWYCCKSA-N -1 3 361.405 2.791 20 30 FFEDHM N#CCCN(Cc1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001581858118 1079008608 /nfs/dbraw/zinc/00/86/08/1079008608.db2.gz REDVBKSCUPXHNF-UHFFFAOYSA-N -1 3 355.333 2.547 20 30 FFEDHM N#CCCN(Cc1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001581858118 1079008613 /nfs/dbraw/zinc/00/86/13/1079008613.db2.gz REDVBKSCUPXHNF-UHFFFAOYSA-N -1 3 355.333 2.547 20 30 FFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1nc(-c2ccccc2)c[nH]1 ZINC001581875001 1079012345 /nfs/dbraw/zinc/01/23/45/1079012345.db2.gz RGJADSOYKBXGCU-UHFFFAOYSA-N -1 3 356.393 2.783 20 30 FFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1nc(-c2ccccc2)c[nH]1 ZINC001581875001 1079012352 /nfs/dbraw/zinc/01/23/52/1079012352.db2.gz RGJADSOYKBXGCU-UHFFFAOYSA-N -1 3 356.393 2.783 20 30 FFEDHM N#Cc1ncccc1SCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001581885343 1079012582 /nfs/dbraw/zinc/01/25/82/1079012582.db2.gz XFPWYWIVSALUIW-UHFFFAOYSA-N -1 3 371.813 2.518 20 30 FFEDHM N#Cc1ncccc1SCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001581885343 1079012587 /nfs/dbraw/zinc/01/25/87/1079012587.db2.gz XFPWYWIVSALUIW-UHFFFAOYSA-N -1 3 371.813 2.518 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(C(F)(F)F)nc1 ZINC001585681669 1079487211 /nfs/dbraw/zinc/48/72/11/1079487211.db2.gz KAILPZJDIRFDKM-UHFFFAOYSA-N -1 3 365.315 2.656 20 30 FFEDHM O=C([C@H]1C[C@H]1C1CCCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001559033064 1076117956 /nfs/dbraw/zinc/11/79/56/1076117956.db2.gz ULKGNDYYYDGBRS-IRXDYDNUSA-N -1 3 356.422 2.717 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1ccc(N(C)C)cc1 ZINC001561486334 1076383190 /nfs/dbraw/zinc/38/31/90/1076383190.db2.gz YGHMGKMYJXTULM-LBPRGKRZSA-N -1 3 374.422 2.572 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C#N ZINC001569418002 1077143608 /nfs/dbraw/zinc/14/36/08/1077143608.db2.gz MQEDPOJGELOWMD-UHFFFAOYSA-N -1 3 356.338 2.997 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001573342200 1077675311 /nfs/dbraw/zinc/67/53/11/1077675311.db2.gz XPQHATFJZREMGK-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001573342200 1077675313 /nfs/dbraw/zinc/67/53/13/1077675313.db2.gz XPQHATFJZREMGK-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573341829 1077675380 /nfs/dbraw/zinc/67/53/80/1077675380.db2.gz SDURKHTWRWXBAE-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573341829 1077675383 /nfs/dbraw/zinc/67/53/83/1077675383.db2.gz SDURKHTWRWXBAE-UHFFFAOYSA-N -1 3 366.400 2.904 20 30 FFEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cc(C#N)ccc1F ZINC001573904738 1077842425 /nfs/dbraw/zinc/84/24/25/1077842425.db2.gz XINNZMQDRZRUSZ-UHFFFAOYSA-N -1 3 364.384 2.629 20 30 FFEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cc(C#N)ccc1F ZINC001573904738 1077842427 /nfs/dbraw/zinc/84/24/27/1077842427.db2.gz XINNZMQDRZRUSZ-UHFFFAOYSA-N -1 3 364.384 2.629 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588325645 1079983193 /nfs/dbraw/zinc/98/31/93/1079983193.db2.gz RDZYMFCODAHNSK-AWEZNQCLSA-N -1 3 352.320 2.809 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588325645 1079983197 /nfs/dbraw/zinc/98/31/97/1079983197.db2.gz RDZYMFCODAHNSK-AWEZNQCLSA-N -1 3 352.320 2.809 20 30 FFEDHM C#C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588327470 1079983435 /nfs/dbraw/zinc/98/34/35/1079983435.db2.gz JTQNNNIPLVKKGO-INIZCTEOSA-N -1 3 355.442 2.580 20 30 FFEDHM C#C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588327470 1079983442 /nfs/dbraw/zinc/98/34/42/1079983442.db2.gz JTQNNNIPLVKKGO-INIZCTEOSA-N -1 3 355.442 2.580 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001588329324 1079985081 /nfs/dbraw/zinc/98/50/81/1079985081.db2.gz DFAXEOBAKPRTMP-CQSZACIVSA-N -1 3 366.356 2.510 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001588329324 1079985090 /nfs/dbraw/zinc/98/50/90/1079985090.db2.gz DFAXEOBAKPRTMP-CQSZACIVSA-N -1 3 366.356 2.510 20 30 FFEDHM C#C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C1 ZINC001588332582 1079987606 /nfs/dbraw/zinc/98/76/06/1079987606.db2.gz NGSSTQUVZNVZML-NSHDSACASA-N -1 3 370.363 2.866 20 30 FFEDHM C#C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC001588332582 1079987609 /nfs/dbraw/zinc/98/76/09/1079987609.db2.gz NGSSTQUVZNVZML-NSHDSACASA-N -1 3 370.363 2.866 20 30 FFEDHM C#CC[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001588334694 1079989155 /nfs/dbraw/zinc/98/91/55/1079989155.db2.gz HCNQLATZPXYQDL-JZXOWHBKSA-N -1 3 359.389 2.673 20 30 FFEDHM C#CC[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001588334694 1079989159 /nfs/dbraw/zinc/98/91/59/1079989159.db2.gz HCNQLATZPXYQDL-JZXOWHBKSA-N -1 3 359.389 2.673 20 30 FFEDHM C#CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1 ZINC001588351749 1079991721 /nfs/dbraw/zinc/99/17/21/1079991721.db2.gz IHNNXSFWHKZHSK-UHFFFAOYSA-N -1 3 371.404 2.552 20 30 FFEDHM C#CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccccc1 ZINC001588351749 1079991726 /nfs/dbraw/zinc/99/17/26/1079991726.db2.gz IHNNXSFWHKZHSK-UHFFFAOYSA-N -1 3 371.404 2.552 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588350875 1079992488 /nfs/dbraw/zinc/99/24/88/1079992488.db2.gz URXZFDPUYVYVLW-UHFFFAOYSA-N -1 3 369.787 2.935 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588350875 1079992491 /nfs/dbraw/zinc/99/24/91/1079992491.db2.gz URXZFDPUYVYVLW-UHFFFAOYSA-N -1 3 369.787 2.935 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001588362224 1079994078 /nfs/dbraw/zinc/99/40/78/1079994078.db2.gz WKNQZSJCWSWQQG-GOSISDBHSA-N -1 3 374.404 2.688 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001588362224 1079994085 /nfs/dbraw/zinc/99/40/85/1079994085.db2.gz WKNQZSJCWSWQQG-GOSISDBHSA-N -1 3 374.404 2.688 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001588362226 1079994221 /nfs/dbraw/zinc/99/42/21/1079994221.db2.gz WKNQZSJCWSWQQG-SFHVURJKSA-N -1 3 374.404 2.688 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001588362226 1079994224 /nfs/dbraw/zinc/99/42/24/1079994224.db2.gz WKNQZSJCWSWQQG-SFHVURJKSA-N -1 3 374.404 2.688 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588393122 1080005143 /nfs/dbraw/zinc/00/51/43/1080005143.db2.gz NJPAVJPCRPXHLK-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588393122 1080005155 /nfs/dbraw/zinc/00/51/55/1080005155.db2.gz NJPAVJPCRPXHLK-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588415234 1080017334 /nfs/dbraw/zinc/01/73/34/1080017334.db2.gz GJYQZAZJTHSBNV-GDBMZVCRSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588415234 1080017341 /nfs/dbraw/zinc/01/73/41/1080017341.db2.gz GJYQZAZJTHSBNV-GDBMZVCRSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)Cn1c(N(C)Cc2ccc(-c3nnn[n-]3)cc2)nnc1C(C)(C)F ZINC001588436707 1080026638 /nfs/dbraw/zinc/02/66/38/1080026638.db2.gz RYYPVJJTGOUTQW-UHFFFAOYSA-N -1 3 370.436 2.875 20 30 FFEDHM C=C(C)Cn1c(N(C)Cc2ccc(-c3nn[n-]n3)cc2)nnc1C(C)(C)F ZINC001588436707 1080026644 /nfs/dbraw/zinc/02/66/44/1080026644.db2.gz RYYPVJJTGOUTQW-UHFFFAOYSA-N -1 3 370.436 2.875 20 30 FFEDHM C=C(CC(C)C)C(=O)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001588443254 1080028537 /nfs/dbraw/zinc/02/85/37/1080028537.db2.gz WWHZCZMKAMNNTH-UHFFFAOYSA-N -1 3 354.458 2.872 20 30 FFEDHM C=C(CC(C)C)C(=O)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001588443254 1080028543 /nfs/dbraw/zinc/02/85/43/1080028543.db2.gz WWHZCZMKAMNNTH-UHFFFAOYSA-N -1 3 354.458 2.872 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588455779 1080032474 /nfs/dbraw/zinc/03/24/74/1080032474.db2.gz CYHPCCZSIUSXOD-UXLLHSPISA-N -1 3 350.426 2.747 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588455779 1080032482 /nfs/dbraw/zinc/03/24/82/1080032482.db2.gz CYHPCCZSIUSXOD-UXLLHSPISA-N -1 3 350.426 2.747 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588456780 1080032984 /nfs/dbraw/zinc/03/29/84/1080032984.db2.gz VMHACDFYBHMSNU-FGTMMUONSA-N -1 3 364.453 2.545 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001588475420 1080041860 /nfs/dbraw/zinc/04/18/60/1080041860.db2.gz NORUYMNNSHMOPR-OCCSQVGLSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001588475420 1080041869 /nfs/dbraw/zinc/04/18/69/1080041869.db2.gz NORUYMNNSHMOPR-OCCSQVGLSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC001588484882 1080049911 /nfs/dbraw/zinc/04/99/11/1080049911.db2.gz QZKRJLQKLJTNFW-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC001588484882 1080049917 /nfs/dbraw/zinc/04/99/17/1080049917.db2.gz QZKRJLQKLJTNFW-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588484982 1080050483 /nfs/dbraw/zinc/05/04/83/1080050483.db2.gz UESHBLOARIDGSA-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588484982 1080050489 /nfs/dbraw/zinc/05/04/89/1080050489.db2.gz UESHBLOARIDGSA-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588485076 1080051034 /nfs/dbraw/zinc/05/10/34/1080051034.db2.gz WOSZVDPZXJOKBX-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588485076 1080051041 /nfs/dbraw/zinc/05/10/41/1080051041.db2.gz WOSZVDPZXJOKBX-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588492495 1080054675 /nfs/dbraw/zinc/05/46/75/1080054675.db2.gz SCFSWYUANXVMDS-SCLBCKFNSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588492495 1080054681 /nfs/dbraw/zinc/05/46/81/1080054681.db2.gz SCFSWYUANXVMDS-SCLBCKFNSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588491494 1080055088 /nfs/dbraw/zinc/05/50/88/1080055088.db2.gz HGMGBDWDLVDJHM-BEFAXECRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588491494 1080055095 /nfs/dbraw/zinc/05/50/95/1080055095.db2.gz HGMGBDWDLVDJHM-BEFAXECRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588498537 1080060106 /nfs/dbraw/zinc/06/01/06/1080060106.db2.gz BEHZNXMAQXWNED-ZUOKHONESA-N -1 3 363.421 2.648 20 30 FFEDHM C=C[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588498537 1080060110 /nfs/dbraw/zinc/06/01/10/1080060110.db2.gz BEHZNXMAQXWNED-ZUOKHONESA-N -1 3 363.421 2.648 20 30 FFEDHM C=C[C@@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588499577 1080060860 /nfs/dbraw/zinc/06/08/60/1080060860.db2.gz KMNYDIJORGIDTH-GOSISDBHSA-N -1 3 351.366 2.535 20 30 FFEDHM C=C[C@@](C)(O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588499577 1080060870 /nfs/dbraw/zinc/06/08/70/1080060870.db2.gz KMNYDIJORGIDTH-GOSISDBHSA-N -1 3 351.366 2.535 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588523872 1080076761 /nfs/dbraw/zinc/07/67/61/1080076761.db2.gz MSXAVIKFGVNZBH-AWEZNQCLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588523872 1080076767 /nfs/dbraw/zinc/07/67/67/1080076767.db2.gz MSXAVIKFGVNZBH-AWEZNQCLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC1(CC(=O)N2CC(=O)Nc3ccc(-c4nnn[n-]4)cc32)CCCCC1 ZINC001588527410 1080077708 /nfs/dbraw/zinc/07/77/08/1080077708.db2.gz JGSJBBRDMHDVOS-UHFFFAOYSA-N -1 3 366.425 2.678 20 30 FFEDHM C=CC1(CC(=O)N2CC(=O)Nc3ccc(-c4nn[n-]n4)cc32)CCCCC1 ZINC001588527410 1080077714 /nfs/dbraw/zinc/07/77/14/1080077714.db2.gz JGSJBBRDMHDVOS-UHFFFAOYSA-N -1 3 366.425 2.678 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588525154 1080078009 /nfs/dbraw/zinc/07/80/09/1080078009.db2.gz WOUHVERZTXSNEU-KKUMJFAQSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588525154 1080078019 /nfs/dbraw/zinc/07/80/19/1080078019.db2.gz WOUHVERZTXSNEU-KKUMJFAQSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001588538297 1080086236 /nfs/dbraw/zinc/08/62/36/1080086236.db2.gz MWUXBFWZHWNJPU-UHFFFAOYSA-N -1 3 350.766 2.969 20 30 FFEDHM C=CCC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001588538297 1080086242 /nfs/dbraw/zinc/08/62/42/1080086242.db2.gz MWUXBFWZHWNJPU-UHFFFAOYSA-N -1 3 350.766 2.969 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588559392 1080097261 /nfs/dbraw/zinc/09/72/61/1080097261.db2.gz JWXDUODBCATIIX-DYVFJYSZSA-N -1 3 352.442 2.852 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588559392 1080097270 /nfs/dbraw/zinc/09/72/70/1080097270.db2.gz JWXDUODBCATIIX-DYVFJYSZSA-N -1 3 352.442 2.852 20 30 FFEDHM C=CCCC(=O)N1CC[C@](C)(CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588561925 1080097957 /nfs/dbraw/zinc/09/79/57/1080097957.db2.gz GMDUMHSXOQAULK-GOSISDBHSA-N -1 3 358.421 2.623 20 30 FFEDHM C=CCCC(=O)N1CC[C@](C)(CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588561925 1080097962 /nfs/dbraw/zinc/09/79/62/1080097962.db2.gz GMDUMHSXOQAULK-GOSISDBHSA-N -1 3 358.421 2.623 20 30 FFEDHM C=CCC[C@H](OC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1)C1CC1 ZINC001588579470 1080107475 /nfs/dbraw/zinc/10/74/75/1080107475.db2.gz NCWBKIFSPWSVSL-KRWDZBQOSA-N -1 3 364.409 2.954 20 30 FFEDHM C=CCC[C@H](OC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1)C1CC1 ZINC001588579470 1080107477 /nfs/dbraw/zinc/10/74/77/1080107477.db2.gz NCWBKIFSPWSVSL-KRWDZBQOSA-N -1 3 364.409 2.954 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588582099 1080107607 /nfs/dbraw/zinc/10/76/07/1080107607.db2.gz GXBBVSCBVWDSAV-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588582099 1080107610 /nfs/dbraw/zinc/10/76/10/1080107610.db2.gz GXBBVSCBVWDSAV-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588582669 1080108716 /nfs/dbraw/zinc/10/87/16/1080108716.db2.gz NJQOMPYQWGISFC-UHFFFAOYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCCC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588582669 1080108719 /nfs/dbraw/zinc/10/87/19/1080108719.db2.gz NJQOMPYQWGISFC-UHFFFAOYSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCN(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001588603172 1080120643 /nfs/dbraw/zinc/12/06/43/1080120643.db2.gz FWDANBSYYUCGPY-UHFFFAOYSA-N -1 3 369.454 2.954 20 30 FFEDHM C=CCCN(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001588603172 1080120650 /nfs/dbraw/zinc/12/06/50/1080120650.db2.gz FWDANBSYYUCGPY-UHFFFAOYSA-N -1 3 369.454 2.954 20 30 FFEDHM C=CCN(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588626975 1080127513 /nfs/dbraw/zinc/12/75/13/1080127513.db2.gz YGNXMJAAAKPQFH-UHFFFAOYSA-N -1 3 351.370 2.704 20 30 FFEDHM C=CCN(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588626975 1080127516 /nfs/dbraw/zinc/12/75/16/1080127516.db2.gz YGNXMJAAAKPQFH-UHFFFAOYSA-N -1 3 351.370 2.704 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC001588639122 1080131839 /nfs/dbraw/zinc/13/18/39/1080131839.db2.gz NBKBVBNNNQEWAL-GOSISDBHSA-N -1 3 373.416 2.752 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC001588639122 1080131844 /nfs/dbraw/zinc/13/18/44/1080131844.db2.gz NBKBVBNNNQEWAL-GOSISDBHSA-N -1 3 373.416 2.752 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001588640145 1080132828 /nfs/dbraw/zinc/13/28/28/1080132828.db2.gz MVUBRWWCXUPSIB-MSOLQXFVSA-N -1 3 367.453 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001588640145 1080132830 /nfs/dbraw/zinc/13/28/30/1080132830.db2.gz MVUBRWWCXUPSIB-MSOLQXFVSA-N -1 3 367.453 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001588640017 1080133480 /nfs/dbraw/zinc/13/34/80/1080133480.db2.gz IJRLDQOQSTTWSL-SFHVURJKSA-N -1 3 363.396 2.860 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001588640017 1080133482 /nfs/dbraw/zinc/13/34/82/1080133482.db2.gz IJRLDQOQSTTWSL-SFHVURJKSA-N -1 3 363.396 2.860 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)n1ccc(C)n1 ZINC001588640159 1080133692 /nfs/dbraw/zinc/13/36/92/1080133692.db2.gz MZLSPVHUUSBUGK-OAHLLOKOSA-N -1 3 365.441 2.538 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)n1ccc(C)n1 ZINC001588640159 1080133697 /nfs/dbraw/zinc/13/36/97/1080133697.db2.gz MZLSPVHUUSBUGK-OAHLLOKOSA-N -1 3 365.441 2.538 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccn2c(C)cnc2c1 ZINC001588649092 1080139394 /nfs/dbraw/zinc/13/93/94/1080139394.db2.gz ZRMLJDSDCNSOJM-UHFFFAOYSA-N -1 3 373.420 2.651 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588688615 1080154907 /nfs/dbraw/zinc/15/49/07/1080154907.db2.gz MDDBWEFXLOLXSA-AREMUKBSSA-N -1 3 371.397 2.859 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588688615 1080154912 /nfs/dbraw/zinc/15/49/12/1080154912.db2.gz MDDBWEFXLOLXSA-AREMUKBSSA-N -1 3 371.397 2.859 20 30 FFEDHM C=CCc1cc(CNc2snc(C)c2-c2nnn[n-]2)cc(OC)c1OC ZINC001588695476 1080159499 /nfs/dbraw/zinc/15/94/99/1080159499.db2.gz WQHFXIBILOKOPR-UHFFFAOYSA-N -1 3 372.454 2.989 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1C[C@H](C)C[C@H]1C ZINC001588699514 1080160318 /nfs/dbraw/zinc/16/03/18/1080160318.db2.gz JZEQEMLULYJYIN-CHWSQXEVSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1C[C@H](C)C[C@H]1C ZINC001588699514 1080160325 /nfs/dbraw/zinc/16/03/25/1080160325.db2.gz JZEQEMLULYJYIN-CHWSQXEVSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCCC1(C)C ZINC001588700113 1080161017 /nfs/dbraw/zinc/16/10/17/1080161017.db2.gz PWJGRMAYSURMNV-UHFFFAOYSA-N -1 3 350.430 2.690 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCCC1(C)C ZINC001588700113 1080161020 /nfs/dbraw/zinc/16/10/20/1080161020.db2.gz PWJGRMAYSURMNV-UHFFFAOYSA-N -1 3 350.430 2.690 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H](CC)C1 ZINC001588699504 1080161179 /nfs/dbraw/zinc/16/11/79/1080161179.db2.gz JVSHNQBMFUGNRP-CQSZACIVSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H](CC)C1 ZINC001588699504 1080161182 /nfs/dbraw/zinc/16/11/82/1080161182.db2.gz JVSHNQBMFUGNRP-CQSZACIVSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCSc1ccccc1NC(=O)CN[C@]1(CC(=O)[O-])CCCOC1 ZINC001588879868 1080230400 /nfs/dbraw/zinc/23/04/00/1080230400.db2.gz WBLSLFFARYQQHJ-SFHVURJKSA-N -1 3 364.467 2.517 20 30 FFEDHM CC(C)(C)OC(=O)C(C)(C)CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589145212 1080385221 /nfs/dbraw/zinc/38/52/21/1080385221.db2.gz KNGULXMMLDKKGU-UHFFFAOYSA-N -1 3 356.430 2.908 20 30 FFEDHM CC(C)(C)OC(=O)C(C)(C)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589145212 1080385225 /nfs/dbraw/zinc/38/52/25/1080385225.db2.gz KNGULXMMLDKKGU-UHFFFAOYSA-N -1 3 356.430 2.908 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccn2)cc1C#N ZINC001589202622 1080415968 /nfs/dbraw/zinc/41/59/68/1080415968.db2.gz FAHHLEAVYOAJAC-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccn2)cc1C#N ZINC001589202622 1080415973 /nfs/dbraw/zinc/41/59/73/1080415973.db2.gz FAHHLEAVYOAJAC-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001589257837 1080450720 /nfs/dbraw/zinc/45/07/20/1080450720.db2.gz OIJGCUVZLPXQMR-AAEUAGOBSA-N -1 3 356.434 2.627 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001589257837 1080450722 /nfs/dbraw/zinc/45/07/22/1080450722.db2.gz OIJGCUVZLPXQMR-AAEUAGOBSA-N -1 3 356.434 2.627 20 30 FFEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cc(C#N)cs1 ZINC001589302093 1080472381 /nfs/dbraw/zinc/47/23/81/1080472381.db2.gz YDUMXUQRGJQDTR-UHFFFAOYSA-N -1 3 352.423 2.551 20 30 FFEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cc(C#N)cs1 ZINC001589302093 1080472385 /nfs/dbraw/zinc/47/23/85/1080472385.db2.gz YDUMXUQRGJQDTR-UHFFFAOYSA-N -1 3 352.423 2.551 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC001589488479 1080560554 /nfs/dbraw/zinc/56/05/54/1080560554.db2.gz QPNULZWZSGEGRE-KEYYUXOJSA-N -1 3 369.425 2.896 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC001589488479 1080560563 /nfs/dbraw/zinc/56/05/63/1080560563.db2.gz QPNULZWZSGEGRE-KEYYUXOJSA-N -1 3 369.425 2.896 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)CC#N ZINC001589695772 1080674023 /nfs/dbraw/zinc/67/40/23/1080674023.db2.gz CWYQGXUCAAFTRF-UHFFFAOYSA-N -1 3 355.446 2.727 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)CC#N ZINC001589695772 1080674028 /nfs/dbraw/zinc/67/40/28/1080674028.db2.gz CWYQGXUCAAFTRF-UHFFFAOYSA-N -1 3 355.446 2.727 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2csc(C#N)c2)cc1-c1nnn[n-]1 ZINC001589758955 1080715021 /nfs/dbraw/zinc/71/50/21/1080715021.db2.gz UEAGDCCXRQJGFE-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2csc(C#N)c2)cc1-c1nn[n-]n1 ZINC001589758955 1080715029 /nfs/dbraw/zinc/71/50/29/1080715029.db2.gz UEAGDCCXRQJGFE-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001589786640 1080741005 /nfs/dbraw/zinc/74/10/05/1080741005.db2.gz AUTCXUHCADXWEG-LLVKDONJSA-N -1 3 367.438 2.852 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001589786640 1080741015 /nfs/dbraw/zinc/74/10/15/1080741015.db2.gz AUTCXUHCADXWEG-LLVKDONJSA-N -1 3 367.438 2.852 20 30 FFEDHM C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589794363 1080746602 /nfs/dbraw/zinc/74/66/02/1080746602.db2.gz AMFZRRPDOODJAA-CZUORRHYSA-N -1 3 368.441 2.707 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1cccc(C#N)c1 ZINC001589932014 1080873564 /nfs/dbraw/zinc/87/35/64/1080873564.db2.gz QNSDMHCDSRMTHI-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1cccc(C#N)c1 ZINC001589932014 1080873570 /nfs/dbraw/zinc/87/35/70/1080873570.db2.gz QNSDMHCDSRMTHI-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589945283 1080889855 /nfs/dbraw/zinc/88/98/55/1080889855.db2.gz PNEDJEVWPSIUQO-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589945283 1080889858 /nfs/dbraw/zinc/88/98/58/1080889858.db2.gz PNEDJEVWPSIUQO-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589948160 1080890958 /nfs/dbraw/zinc/89/09/58/1080890958.db2.gz ZUGGLUFYAFCIJI-GFCCVEGCSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@@H](NC(=O)c1ccccc1SCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589948160 1080890962 /nfs/dbraw/zinc/89/09/62/1080890962.db2.gz ZUGGLUFYAFCIJI-GFCCVEGCSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001590030831 1080955791 /nfs/dbraw/zinc/95/57/91/1080955791.db2.gz IAZWPYUTULGIEA-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001590030831 1080955798 /nfs/dbraw/zinc/95/57/98/1080955798.db2.gz IAZWPYUTULGIEA-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@]1(C#N)CCN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)C1 ZINC001590056656 1080983568 /nfs/dbraw/zinc/98/35/68/1080983568.db2.gz PFMPRMGGTUOGJV-LJQANCHMSA-N -1 3 362.441 2.532 20 30 FFEDHM C[C@]1(C#N)CCN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)C1 ZINC001590056656 1080983573 /nfs/dbraw/zinc/98/35/73/1080983573.db2.gz PFMPRMGGTUOGJV-LJQANCHMSA-N -1 3 362.441 2.532 20 30 FFEDHM CC1(C)CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@H]1C#N ZINC001590097283 1081009472 /nfs/dbraw/zinc/00/94/72/1081009472.db2.gz QZKWXTROMMAXCC-HNNXBMFYSA-N -1 3 370.482 2.641 20 30 FFEDHM CC1(C)CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@H]1C#N ZINC001590097283 1081009479 /nfs/dbraw/zinc/00/94/79/1081009479.db2.gz QZKWXTROMMAXCC-HNNXBMFYSA-N -1 3 370.482 2.641 20 30 FFEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)c2nccn21 ZINC001590180779 1081073310 /nfs/dbraw/zinc/07/33/10/1081073310.db2.gz JHPJGWANHCWVHL-MRVPVSSYSA-N -1 3 362.319 2.863 20 30 FFEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c2nccn21 ZINC001590180779 1081073315 /nfs/dbraw/zinc/07/33/15/1081073315.db2.gz JHPJGWANHCWVHL-MRVPVSSYSA-N -1 3 362.319 2.863 20 30 FFEDHM COc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000103022986 250130831 /nfs/dbraw/zinc/13/08/31/250130831.db2.gz RKAWCOJIAGLABB-UHFFFAOYSA-N -1 3 367.449 2.772 20 30 FFEDHM COc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1[O-] ZINC000276891044 256140301 /nfs/dbraw/zinc/14/03/01/256140301.db2.gz HPWTWXMTQIXUPX-UHFFFAOYSA-N -1 3 352.390 2.956 20 30 FFEDHM Cc1nsc(N2CCN(C(=O)c3ccc(C)c(C)c3[O-])CC2)c1C#N ZINC000291072138 257379488 /nfs/dbraw/zinc/37/94/88/257379488.db2.gz IYHUOWXWJXBKJU-UHFFFAOYSA-N -1 3 356.451 2.608 20 30 FFEDHM C=CCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000098067503 508232666 /nfs/dbraw/zinc/23/26/66/508232666.db2.gz KZYCCPXEHPFAJS-UHFFFAOYSA-N -1 3 365.282 2.844 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000264362686 509481786 /nfs/dbraw/zinc/48/17/86/509481786.db2.gz GXBXUIXZOGLZOF-UHFFFAOYSA-N -1 3 355.312 2.984 20 30 FFEDHM O=C(CNCC(F)(F)F)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000272833825 511509302 /nfs/dbraw/zinc/50/93/02/511509302.db2.gz PEMPSZRTTNUNGU-JTQLQIEISA-N -1 3 350.209 2.836 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000065808182 506371174 /nfs/dbraw/zinc/37/11/74/506371174.db2.gz JRIVIMAEVQTABN-UHFFFAOYSA-N -1 3 374.462 2.895 20 30 FFEDHM CCc1cc(C#N)c([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1 ZINC000067166677 506780876 /nfs/dbraw/zinc/78/08/76/506780876.db2.gz CIAKMSBWDFGNTE-UHFFFAOYSA-N -1 3 368.378 2.923 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(C[N-]C(=O)C(F)(F)C3(O)CCCC3)n2)c1 ZINC000367073218 512325395 /nfs/dbraw/zinc/32/53/95/512325395.db2.gz JIVQTCMPCLDCSX-UHFFFAOYSA-N -1 3 360.364 2.505 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccnc1)C(C)C ZINC000047423233 507328475 /nfs/dbraw/zinc/32/84/75/507328475.db2.gz DYEHWXQBXKOXLE-UHFFFAOYSA-N -1 3 352.438 2.628 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000060949498 507588483 /nfs/dbraw/zinc/58/84/83/507588483.db2.gz SKDODICIUVZMBG-UHFFFAOYSA-N -1 3 366.446 2.857 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000051705094 507781457 /nfs/dbraw/zinc/78/14/57/507781457.db2.gz SIASHHVBAJISMS-UHFFFAOYSA-N -1 3 355.350 2.618 20 30 FFEDHM Cc1ccnc2nc(C(=O)[N-]c3ccccc3SC[C@@H](C)C#N)nn21 ZINC000108237636 507882156 /nfs/dbraw/zinc/88/21/56/507882156.db2.gz AZXFKKHBWUPQEU-NSHDSACASA-N -1 3 352.423 2.937 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000075430601 508106658 /nfs/dbraw/zinc/10/66/58/508106658.db2.gz LHDQFXBSRYIDAA-UHFFFAOYSA-N -1 3 352.438 2.630 20 30 FFEDHM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000075536057 508114918 /nfs/dbraw/zinc/11/49/18/508114918.db2.gz RBBDJEWAKIRDII-SSDOTTSWSA-N -1 3 351.329 2.961 20 30 FFEDHM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000075536057 508114920 /nfs/dbraw/zinc/11/49/20/508114920.db2.gz RBBDJEWAKIRDII-SSDOTTSWSA-N -1 3 351.329 2.961 20 30 FFEDHM Cn1cc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C(C)(C)C)n1 ZINC000093901929 508159093 /nfs/dbraw/zinc/15/90/93/508159093.db2.gz COCFICUHBGUXOV-DHZHZOJOSA-N -1 3 361.467 2.985 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000081756913 508209679 /nfs/dbraw/zinc/20/96/79/508209679.db2.gz FIEQPLZVNUHVHJ-UHFFFAOYSA-N -1 3 354.472 2.705 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccc(F)cc2C1 ZINC000121803747 508422245 /nfs/dbraw/zinc/42/22/45/508422245.db2.gz KCVHVMMSABEGQU-UHFFFAOYSA-N -1 3 353.397 2.520 20 30 FFEDHM CCOc1ccc(C#N)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000115773436 508435620 /nfs/dbraw/zinc/43/56/20/508435620.db2.gz ZMHMHXIRKZSTAX-UHFFFAOYSA-N -1 3 359.407 2.581 20 30 FFEDHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156695028 508464145 /nfs/dbraw/zinc/46/41/45/508464145.db2.gz YNJNOYRFWAIRQQ-NSHDSACASA-N -1 3 363.370 2.515 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116096437 508471061 /nfs/dbraw/zinc/47/10/61/508471061.db2.gz UBDQTQDRZSNKLK-GUYCJALGSA-N -1 3 371.387 2.747 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000127582105 508472574 /nfs/dbraw/zinc/47/25/74/508472574.db2.gz DFYCVRCVEAVOFV-HIFRSBDPSA-N -1 3 372.899 2.545 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000152682887 508493880 /nfs/dbraw/zinc/49/38/80/508493880.db2.gz LNDBJIHHWXXMMC-LBPRGKRZSA-N -1 3 359.376 2.952 20 30 FFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000116905202 508570531 /nfs/dbraw/zinc/57/05/31/508570531.db2.gz YNPWIMRZDBBHMI-SECBINFHSA-N -1 3 373.272 2.577 20 30 FFEDHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157721839 508602910 /nfs/dbraw/zinc/60/29/10/508602910.db2.gz ZGMGHZLXLFGAMN-WBMJQRKESA-N -1 3 354.447 2.817 20 30 FFEDHM COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccc1 ZINC000124435289 508831611 /nfs/dbraw/zinc/83/16/11/508831611.db2.gz BQXVOLGCKOKLKA-KBXCAEBGSA-N -1 3 372.446 2.695 20 30 FFEDHM N#CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000124470080 508837155 /nfs/dbraw/zinc/83/71/55/508837155.db2.gz FKGNBXYRQXTWGS-GFCCVEGCSA-N -1 3 351.409 2.980 20 30 FFEDHM CSCC[N-]C(=S)C(C(=O)c1ccc(C)s1)[n+]1cccc([O-])c1 ZINC000131352338 508921023 /nfs/dbraw/zinc/92/10/23/508921023.db2.gz ZBGUDFUWUDTWRU-UHFFFAOYSA-O -1 3 367.541 2.941 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cnoc2C)ccc1F ZINC000120116729 508932890 /nfs/dbraw/zinc/93/28/90/508932890.db2.gz QTCSCNBPJHWUTA-UHFFFAOYSA-N -1 3 353.375 2.692 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000151017518 508941123 /nfs/dbraw/zinc/94/11/23/508941123.db2.gz FAEVCWIEZAPURU-GOSISDBHSA-N -1 3 373.453 2.813 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CCO)CCCCC1 ZINC000182490684 509267483 /nfs/dbraw/zinc/26/74/83/509267483.db2.gz GUFIQJHKKLWPCK-UHFFFAOYSA-N -1 3 356.875 2.823 20 30 FFEDHM COc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000264019052 509284259 /nfs/dbraw/zinc/28/42/59/509284259.db2.gz GKUPQZNDDYBZEU-UHFFFAOYSA-N -1 3 352.390 2.956 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000163353936 509366806 /nfs/dbraw/zinc/36/68/06/509366806.db2.gz SIUNWAJJDXXMIP-UHFFFAOYSA-N -1 3 354.255 2.873 20 30 FFEDHM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180098162 509750603 /nfs/dbraw/zinc/75/06/03/509750603.db2.gz MNKPVUWXRADHHH-CZUORRHYSA-N -1 3 356.875 2.941 20 30 FFEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(F)ccc1[O-] ZINC000174869762 510356397 /nfs/dbraw/zinc/35/63/97/510356397.db2.gz FZKGXEFYRBNPQZ-UHFFFAOYSA-N -1 3 353.357 2.634 20 30 FFEDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C#N)ccc2OC(F)F)n1 ZINC000191597006 510744370 /nfs/dbraw/zinc/74/43/70/510744370.db2.gz SKJJZDPTLURJQB-UHFFFAOYSA-N -1 3 351.269 2.537 20 30 FFEDHM N#Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c[nH]1 ZINC000361122407 510995645 /nfs/dbraw/zinc/99/56/45/510995645.db2.gz BGLHVCGMGXPICJ-HNNXBMFYSA-N -1 3 358.829 2.640 20 30 FFEDHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c([O-])c1 ZINC000331237400 511052132 /nfs/dbraw/zinc/05/21/32/511052132.db2.gz MXBJGBHBXBOEJY-DZGCQCFKSA-N -1 3 354.472 2.538 20 30 FFEDHM CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331231662 511052236 /nfs/dbraw/zinc/05/22/36/511052236.db2.gz IIJVMWQNQLZAMP-UHFFFAOYSA-N -1 3 355.456 2.624 20 30 FFEDHM CC[C@@H](C#N)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000331405969 511064141 /nfs/dbraw/zinc/06/41/41/511064141.db2.gz FDROFYXMYDOIMS-LBPRGKRZSA-N -1 3 369.512 2.781 20 30 FFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000279776581 511211701 /nfs/dbraw/zinc/21/17/01/511211701.db2.gz NJURBYZLRYMJJT-UHFFFAOYSA-N -1 3 358.529 2.697 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(CC#N)cc2)CCCCC1 ZINC000291951290 511403868 /nfs/dbraw/zinc/40/38/68/511403868.db2.gz QNCGZNYJTVBEEZ-UHFFFAOYSA-N -1 3 350.440 2.618 20 30 FFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)cc1Cl ZINC000295674105 511478476 /nfs/dbraw/zinc/47/84/76/511478476.db2.gz HKUJPMDAEAHSKW-QWRGUYRKSA-N -1 3 373.837 2.798 20 30 FFEDHM O=C(c1nccs1)C(C(=S)[N-]C1CCC1)[n+]1cc([O-])cc(Cl)c1 ZINC000292237854 511517510 /nfs/dbraw/zinc/51/75/10/511517510.db2.gz BUXKYHFRKPRHCP-UHFFFAOYSA-O -1 3 368.891 2.871 20 30 FFEDHM CCCc1nc(C)c(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000292343806 511560112 /nfs/dbraw/zinc/56/01/12/511560112.db2.gz PJVSNEJDZBQRQS-UHFFFAOYSA-N -1 3 356.426 2.774 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000322992718 511828629 /nfs/dbraw/zinc/82/86/29/511828629.db2.gz IHNZTJDVQIMAFJ-UHFFFAOYSA-N -1 3 350.783 2.784 20 30 FFEDHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000274691184 511911287 /nfs/dbraw/zinc/91/12/87/511911287.db2.gz QPEUROMTHZHZKL-UHFFFAOYSA-N -1 3 370.858 2.612 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000284970860 511951082 /nfs/dbraw/zinc/95/10/82/511951082.db2.gz CZTLWMUVHVFRFI-JTQLQIEISA-N -1 3 369.331 2.743 20 30 FFEDHM CCCCCCCCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000274849156 511963016 /nfs/dbraw/zinc/96/30/16/511963016.db2.gz FOKUIUXYRSOPHO-MRXNPFEDSA-N -1 3 360.458 2.919 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)CC2(C#N)CCCC2)OCCc2sccc21 ZINC000329495652 512056885 /nfs/dbraw/zinc/05/68/85/512056885.db2.gz FRELSJBFOURLLK-OAHLLOKOSA-N -1 3 354.497 2.539 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2C=CCCC2)CCCC1 ZINC000329853466 512104368 /nfs/dbraw/zinc/10/43/68/512104368.db2.gz VMUNAGPCCMTNHN-CQSZACIVSA-N -1 3 367.471 2.948 20 30 FFEDHM N#CC1(NC(=O)c2ccc([O-])cc2F)CCN(Cc2ccccc2)CC1 ZINC000376183476 512698946 /nfs/dbraw/zinc/69/89/46/512698946.db2.gz ZCLFZBLASNQFIJ-UHFFFAOYSA-N -1 3 353.397 2.819 20 30 FFEDHM N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000374342961 512778265 /nfs/dbraw/zinc/77/82/65/512778265.db2.gz VEAAPPXXZSXPGZ-UHFFFAOYSA-N -1 3 354.385 2.693 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000372931473 513107240 /nfs/dbraw/zinc/10/72/40/513107240.db2.gz MDOWDCUOYCGKLY-RDTXWAMCSA-N -1 3 360.410 2.753 20 30 FFEDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(C#Cc2ccccn2)c1 ZINC000445890566 513140489 /nfs/dbraw/zinc/14/04/89/513140489.db2.gz OOXKZKNUTBMNQG-HNNXBMFYSA-N -1 3 359.307 2.859 20 30 FFEDHM N#Cc1cccc(CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000429893752 513491810 /nfs/dbraw/zinc/49/18/10/513491810.db2.gz ZVCXVTNZOFVOGD-UHFFFAOYSA-N -1 3 358.316 2.734 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000429981446 513519055 /nfs/dbraw/zinc/51/90/55/513519055.db2.gz HIIJNPMHRAWYAQ-GFCCVEGCSA-N -1 3 372.874 2.726 20 30 FFEDHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435425410 513579752 /nfs/dbraw/zinc/57/97/52/513579752.db2.gz CXYXOYUCGBDKRM-UHFFFAOYSA-N -1 3 358.485 2.799 20 30 FFEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccco1 ZINC000435425587 513579831 /nfs/dbraw/zinc/57/98/31/513579831.db2.gz DLLHWWVWLXNARP-ZDUSSCGKSA-N -1 3 353.469 2.574 20 30 FFEDHM C[C@@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435433465 513584689 /nfs/dbraw/zinc/58/46/89/513584689.db2.gz SDVUXIFNTTZQQF-BETUJISGSA-N -1 3 355.529 2.655 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)c(F)c1 ZINC000435444206 513592054 /nfs/dbraw/zinc/59/20/54/513592054.db2.gz VMTWKLFZRFDMOU-ZDUSSCGKSA-N -1 3 358.391 2.564 20 30 FFEDHM C=CCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000447978134 513643759 /nfs/dbraw/zinc/64/37/59/513643759.db2.gz QVIUHDWPMVOOIB-UHFFFAOYSA-N -1 3 365.377 2.615 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000413448940 513661093 /nfs/dbraw/zinc/66/10/93/513661093.db2.gz ATOMABSYEAYCMI-LBPRGKRZSA-N -1 3 353.348 2.810 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000413448940 513661100 /nfs/dbraw/zinc/66/11/00/513661100.db2.gz ATOMABSYEAYCMI-LBPRGKRZSA-N -1 3 353.348 2.810 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000413448940 513661108 /nfs/dbraw/zinc/66/11/08/513661108.db2.gz ATOMABSYEAYCMI-LBPRGKRZSA-N -1 3 353.348 2.810 20 30 FFEDHM Cc1ncc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c(=O)[n-]1 ZINC000442192657 513682393 /nfs/dbraw/zinc/68/23/93/513682393.db2.gz JXYRQHMSCVXKGJ-UHFFFAOYSA-N -1 3 367.287 2.583 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000425736660 513723133 /nfs/dbraw/zinc/72/31/33/513723133.db2.gz HDXJWKNXFHUDRX-SECBINFHSA-N -1 3 352.320 2.598 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000425736660 513723139 /nfs/dbraw/zinc/72/31/39/513723139.db2.gz HDXJWKNXFHUDRX-SECBINFHSA-N -1 3 352.320 2.598 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000425736660 513723144 /nfs/dbraw/zinc/72/31/44/513723144.db2.gz HDXJWKNXFHUDRX-SECBINFHSA-N -1 3 352.320 2.598 20 30 FFEDHM CCn1ncc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c(C)nc21 ZINC000442533627 513734389 /nfs/dbraw/zinc/73/43/89/513734389.db2.gz WDEGMGITCNWOFS-HNNXBMFYSA-N -1 3 363.425 2.568 20 30 FFEDHM COC1CCC([N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000416541007 513825274 /nfs/dbraw/zinc/82/52/74/513825274.db2.gz IXUVFYMLWCGWCG-UHFFFAOYSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443067863 513861556 /nfs/dbraw/zinc/86/15/56/513861556.db2.gz JVHPRZVDPBRMJW-CHWSQXEVSA-N -1 3 355.891 2.753 20 30 FFEDHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000443289883 513921976 /nfs/dbraw/zinc/92/19/76/513921976.db2.gz WRWXICCZBKMDHZ-LLVKDONJSA-N -1 3 364.389 2.652 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)N(CCC#N)c2cccc(C)c2)ccc1[O-] ZINC000436650076 513930656 /nfs/dbraw/zinc/93/06/56/513930656.db2.gz USSYLPVDKAGDCS-UHFFFAOYSA-N -1 3 374.418 2.596 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436675347 513939391 /nfs/dbraw/zinc/93/93/91/513939391.db2.gz URODNPOPUBTAFM-NSHDSACASA-N -1 3 356.382 2.563 20 30 FFEDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443370397 513952499 /nfs/dbraw/zinc/95/24/99/513952499.db2.gz BSAIVONBFKLORP-NSHDSACASA-N -1 3 350.827 2.827 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000451804228 513991061 /nfs/dbraw/zinc/99/10/61/513991061.db2.gz UFMYWKUSBZIAJS-UHFFFAOYSA-N -1 3 364.261 2.711 20 30 FFEDHM C=CCCCS(=O)(=O)[N-]c1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C ZINC000436814692 513991636 /nfs/dbraw/zinc/99/16/36/513991636.db2.gz LESXGPHUCVGTSN-UKRRQHHQSA-N -1 3 361.471 2.937 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1c[nH]c2ncccc12 ZINC000443789737 514041914 /nfs/dbraw/zinc/04/19/14/514041914.db2.gz KVEWDYNZSACPOJ-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1sccc1OC)C(C)C ZINC000444108052 514125054 /nfs/dbraw/zinc/12/50/54/514125054.db2.gz VXGYJNFMGPPNDH-CQSZACIVSA-N -1 3 358.529 2.734 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)s1 ZINC000452096802 514188065 /nfs/dbraw/zinc/18/80/65/514188065.db2.gz XRJZEYBDHIFDAX-CQSZACIVSA-N -1 3 368.505 2.863 20 30 FFEDHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nn1 ZINC000420769969 514286727 /nfs/dbraw/zinc/28/67/27/514286727.db2.gz YZAAPHQYZKZGSW-UHFFFAOYSA-N -1 3 367.862 2.598 20 30 FFEDHM Cc1csc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000432925421 514323951 /nfs/dbraw/zinc/32/39/51/514323951.db2.gz RSGSWKKWZGVVNI-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1OC(F)F ZINC000428232045 514427510 /nfs/dbraw/zinc/42/75/10/514427510.db2.gz YBECJVZIFDAMOH-GFCCVEGCSA-N -1 3 367.377 2.984 20 30 FFEDHM C[C@H]1C[C@@]1(C#N)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000449930545 514429241 /nfs/dbraw/zinc/42/92/41/514429241.db2.gz MGMKVXINMHFRIH-VOJFVSQTSA-N -1 3 361.829 2.772 20 30 FFEDHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428246063 514432270 /nfs/dbraw/zinc/43/22/70/514432270.db2.gz QLIYPLDQLAPIHS-UHFFFAOYSA-N -1 3 370.459 2.864 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000452817571 514505826 /nfs/dbraw/zinc/50/58/26/514505826.db2.gz CQJDOJRCGIWHHN-CRAIPNDOSA-N -1 3 359.470 2.776 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1C#N ZINC000475113693 514562810 /nfs/dbraw/zinc/56/28/10/514562810.db2.gz YTGSOYHCKWYYOC-UHFFFAOYSA-N -1 3 368.466 2.863 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000508129955 514679820 /nfs/dbraw/zinc/67/98/20/514679820.db2.gz CXKWYQGRJZPOHA-ZDUSSCGKSA-N -1 3 367.254 2.599 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)CCCCC1 ZINC000475551070 514712422 /nfs/dbraw/zinc/71/24/22/514712422.db2.gz PVKFNPVAMCYWHD-UHFFFAOYSA-N -1 3 358.467 2.766 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)on2)c1 ZINC000471298281 514831010 /nfs/dbraw/zinc/83/10/10/514831010.db2.gz YEMTVFAXJGLWNH-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)on2)c1 ZINC000471298281 514831020 /nfs/dbraw/zinc/83/10/20/514831020.db2.gz YEMTVFAXJGLWNH-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000480087703 514837480 /nfs/dbraw/zinc/83/74/80/514837480.db2.gz YDUDQRRNDJTRHR-OLZOCXBDSA-N -1 3 357.439 2.886 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000489518047 514878930 /nfs/dbraw/zinc/87/89/30/514878930.db2.gz SFSYGOOZHANXBO-MRXNPFEDSA-N -1 3 352.362 2.502 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000489745752 514958777 /nfs/dbraw/zinc/95/87/77/514958777.db2.gz XHKLXNQYFJCTGQ-UHFFFAOYSA-N -1 3 373.478 2.636 20 30 FFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(F)cc2nn[n-]c21 ZINC000503357422 515008272 /nfs/dbraw/zinc/00/82/72/515008272.db2.gz UQYHHHCKQRZJHY-UHFFFAOYSA-N -1 3 362.286 2.897 20 30 FFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(F)cc2[n-]nnc21 ZINC000503357422 515008278 /nfs/dbraw/zinc/00/82/78/515008278.db2.gz UQYHHHCKQRZJHY-UHFFFAOYSA-N -1 3 362.286 2.897 20 30 FFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(F)cc2n[n-]nc21 ZINC000503357422 515008284 /nfs/dbraw/zinc/00/82/84/515008284.db2.gz UQYHHHCKQRZJHY-UHFFFAOYSA-N -1 3 362.286 2.897 20 30 FFEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000489960434 515048171 /nfs/dbraw/zinc/04/81/71/515048171.db2.gz VDTBJUGTZASWRZ-KRWDZBQOSA-N -1 3 357.435 2.615 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc2c(c1)CCO2 ZINC000480883681 515125640 /nfs/dbraw/zinc/12/56/40/515125640.db2.gz QYDPQZLIDKNRBH-UHFFFAOYSA-N -1 3 362.838 2.668 20 30 FFEDHM CCc1cc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)ccc1[O-] ZINC000486129692 515345956 /nfs/dbraw/zinc/34/59/56/515345956.db2.gz OXUZVDMUBPPXJB-HNNXBMFYSA-N -1 3 370.405 2.975 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)c1C#N ZINC000477163237 515353149 /nfs/dbraw/zinc/35/31/49/515353149.db2.gz LMEUOCDQESQLHP-UHFFFAOYSA-N -1 3 362.777 2.855 20 30 FFEDHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(C#N)c1 ZINC000505099935 515444585 /nfs/dbraw/zinc/44/45/85/515444585.db2.gz XTEKRLMCJCLRFJ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(C#N)c1 ZINC000505099935 515444597 /nfs/dbraw/zinc/44/45/97/515444597.db2.gz XTEKRLMCJCLRFJ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-]C1(c2noc([C@H]3CCOC3)n2)CCCCCC1 ZINC000477454883 515463072 /nfs/dbraw/zinc/46/30/72/515463072.db2.gz QVTNSEHJBZJCIP-AWEZNQCLSA-N -1 3 369.487 2.619 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)C1(O)CCCC1 ZINC000456858163 515463411 /nfs/dbraw/zinc/46/34/11/515463411.db2.gz KAVREWCUDWZKPG-UHFFFAOYSA-N -1 3 359.470 2.656 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000477463075 515464609 /nfs/dbraw/zinc/46/46/09/515464609.db2.gz NJAPSSOUBGJRAH-CQSZACIVSA-N -1 3 369.487 2.966 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000486466153 515492749 /nfs/dbraw/zinc/49/27/49/515492749.db2.gz JGZPEFOHSZSSRQ-CYBMUJFWSA-N -1 3 357.435 2.980 20 30 FFEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(C#N)cc1 ZINC000486571804 515543729 /nfs/dbraw/zinc/54/37/29/515543729.db2.gz DAXHWEJDSGGYOW-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1cc(C(F)(F)F)ccn1 ZINC000464425792 515820156 /nfs/dbraw/zinc/82/01/56/515820156.db2.gz KPDMGAQMDIOTDY-NSHDSACASA-N -1 3 361.279 2.921 20 30 FFEDHM N#CCCC[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000487594525 515916232 /nfs/dbraw/zinc/91/62/32/515916232.db2.gz MUHSVLMCRUKJBE-SFHVURJKSA-N -1 3 351.406 2.673 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)Oc1ccccc1 ZINC000500957008 515916154 /nfs/dbraw/zinc/91/61/54/515916154.db2.gz ZNWLRDVGAVVAAD-UHFFFAOYSA-N -1 3 362.426 2.974 20 30 FFEDHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(C)C ZINC000478763771 515956515 /nfs/dbraw/zinc/95/65/15/515956515.db2.gz GSLVUGROBAKRNA-INIZCTEOSA-N -1 3 372.874 2.858 20 30 FFEDHM C=CCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000469894009 516019483 /nfs/dbraw/zinc/01/94/83/516019483.db2.gz SORAVPBLAIFSDE-UHFFFAOYSA-N -1 3 351.403 2.603 20 30 FFEDHM C=CCCC1(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC1 ZINC000474409223 516034885 /nfs/dbraw/zinc/03/48/85/516034885.db2.gz HGKHKDIRBBCXEP-UHFFFAOYSA-N -1 3 368.524 2.764 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1C ZINC000495298787 516130488 /nfs/dbraw/zinc/13/04/88/516130488.db2.gz GPOBQRRYPLGVEL-SNVBAGLBSA-N -1 3 351.284 2.716 20 30 FFEDHM Cc1nc2ccc(Br)cn2c1C([O-])=C(C#N)c1ccncn1 ZINC000483802544 516215314 /nfs/dbraw/zinc/21/53/14/516215314.db2.gz DDBOWDWBPGQKMS-NSHDSACASA-N -1 3 356.183 2.685 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488414913 516220206 /nfs/dbraw/zinc/22/02/06/516220206.db2.gz FUOXZQCGVAVDAO-JSGCOSHPSA-N -1 3 372.874 2.582 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000557859484 516475382 /nfs/dbraw/zinc/47/53/82/516475382.db2.gz ZXGYTEDNKQHOEB-HNNXBMFYSA-N -1 3 368.817 2.753 20 30 FFEDHM C=CCCCCCN(C)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000523539674 516501799 /nfs/dbraw/zinc/50/17/99/516501799.db2.gz JLUJKTUEQKDVQB-UHFFFAOYSA-N -1 3 374.453 2.838 20 30 FFEDHM C=C1CCN(C(=O)c2c(C)oc3[n-]c(=O)n(-c4ccccc4)c(=O)c32)CC1 ZINC000523580990 516511080 /nfs/dbraw/zinc/51/10/80/516511080.db2.gz FFBSZUBJFNCHRV-UHFFFAOYSA-N -1 3 365.389 2.785 20 30 FFEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(C#N)cc3)cs2)o1 ZINC000523654445 516533326 /nfs/dbraw/zinc/53/33/26/516533326.db2.gz YIXZRHOAEYHFRG-UHFFFAOYSA-N -1 3 373.415 2.931 20 30 FFEDHM COC[C@](C)(NCc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000551420706 516702629 /nfs/dbraw/zinc/70/26/29/516702629.db2.gz MAFDHLQSWCEDLW-FQEVSTJZSA-N -1 3 354.406 2.717 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000536308919 516716271 /nfs/dbraw/zinc/71/62/71/516716271.db2.gz ULNBGGOGRKZLHP-UHFFFAOYSA-N -1 3 372.631 2.592 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000562239534 516976331 /nfs/dbraw/zinc/97/63/31/516976331.db2.gz DQMDWGORAWJRHG-BDJLRTHQSA-N -1 3 372.874 2.724 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)ccc1Cl ZINC000562315480 517026933 /nfs/dbraw/zinc/02/69/33/517026933.db2.gz BLNWTWHIEYOQJB-SNVBAGLBSA-N -1 3 366.830 2.630 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1(CO)CC(c2ccccc2)C1 ZINC000555795015 517127052 /nfs/dbraw/zinc/12/70/52/517127052.db2.gz SCXAPSCQZSAPNW-UHFFFAOYSA-N -1 3 374.437 2.532 20 30 FFEDHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000537743787 517322411 /nfs/dbraw/zinc/32/24/11/517322411.db2.gz TYDSZSLKUVLIDK-PWSUYJOCSA-N -1 3 362.373 2.670 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H](C)C3CC3)no2)ccc1F ZINC000545801358 517373914 /nfs/dbraw/zinc/37/39/14/517373914.db2.gz KOKUVJUKTOKGHA-JTQLQIEISA-N -1 3 351.403 2.854 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000538120275 517470840 /nfs/dbraw/zinc/47/08/40/517470840.db2.gz XDKSMPCHQJHPTR-SECBINFHSA-N -1 3 357.781 2.822 20 30 FFEDHM C=CCCOCCCCC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000538266500 517529768 /nfs/dbraw/zinc/52/97/68/517529768.db2.gz SMXSONYSCVZUIJ-UHFFFAOYSA-N -1 3 358.435 2.899 20 30 FFEDHM N#Cc1ccc(N2CCC(C(=O)N=c3cc4ccccn4[n-]3)CC2)c(F)c1 ZINC000553331926 517649934 /nfs/dbraw/zinc/64/99/34/517649934.db2.gz CLVYTQCIHHTRHE-UHFFFAOYSA-N -1 3 363.396 2.622 20 30 FFEDHM N#CCC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000542896189 517803192 /nfs/dbraw/zinc/80/31/92/517803192.db2.gz RHTATWNCZIRWOM-UHFFFAOYSA-N -1 3 352.232 2.990 20 30 FFEDHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccco1 ZINC000560473348 517830075 /nfs/dbraw/zinc/83/00/75/517830075.db2.gz GLOZEHKYDZAGKU-DOMZBBRYSA-N -1 3 365.430 2.698 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1cccs1 ZINC000563573074 517992334 /nfs/dbraw/zinc/99/23/34/517992334.db2.gz SHVBRRPLMCKBBC-CQSZACIVSA-N -1 3 356.513 2.811 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c1 ZINC000557436847 518004768 /nfs/dbraw/zinc/00/47/68/518004768.db2.gz JTZYHNMYJRSXAP-UHFFFAOYSA-N -1 3 356.419 2.611 20 30 FFEDHM N#Cc1cnccc1[N-]C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000522721206 518154383 /nfs/dbraw/zinc/15/43/83/518154383.db2.gz ALJNRMLXHYYTGJ-UHFFFAOYSA-N -1 3 372.413 2.937 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nccn1-c1ccccc1 ZINC000581565764 518348636 /nfs/dbraw/zinc/34/86/36/518348636.db2.gz FMLHPFDXSJEAOC-ZDUSSCGKSA-N -1 3 370.409 2.923 20 30 FFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000584777393 518472356 /nfs/dbraw/zinc/47/23/56/518472356.db2.gz IAIMSIZVRVXPCY-GXSJLCMTSA-N -1 3 360.211 2.713 20 30 FFEDHM O=C(CNCC(F)(F)F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000579158550 518547386 /nfs/dbraw/zinc/54/73/86/518547386.db2.gz GGIGGLFICSLUQQ-SNVBAGLBSA-N -1 3 350.209 2.836 20 30 FFEDHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000588942782 518877379 /nfs/dbraw/zinc/87/73/79/518877379.db2.gz HMHOGPWWUXKGOW-NSHDSACASA-N -1 3 373.862 2.524 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)NCC2(N3CCSCC3)CCCCC2)c1 ZINC000589179716 518941499 /nfs/dbraw/zinc/94/14/99/518941499.db2.gz GJHXIUFYXFABLS-UHFFFAOYSA-N -1 3 359.495 2.745 20 30 FFEDHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589191036 518946217 /nfs/dbraw/zinc/94/62/17/518946217.db2.gz CUVSQYMQMAOWLX-UHFFFAOYSA-N -1 3 359.376 2.746 20 30 FFEDHM CNc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000577282569 519005793 /nfs/dbraw/zinc/00/57/93/519005793.db2.gz NOUMKIDPPGKXQT-UHFFFAOYSA-N -1 3 369.381 2.797 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CC2(C#N)CC2)ccc1F ZINC000590270921 519184999 /nfs/dbraw/zinc/18/49/99/519184999.db2.gz LARFSYRPGXMEAD-UHFFFAOYSA-N -1 3 353.419 2.535 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1cccs1 ZINC000571722577 519237824 /nfs/dbraw/zinc/23/78/24/519237824.db2.gz IVFWAJUBWGJBJQ-OAHLLOKOSA-N -1 3 368.455 2.797 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000581220041 519582841 /nfs/dbraw/zinc/58/28/41/519582841.db2.gz IJOYZEOVLHPIRA-SJORKVTESA-N -1 3 360.410 2.896 20 30 FFEDHM N#CCCCOc1cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000569517151 519587512 /nfs/dbraw/zinc/58/75/12/519587512.db2.gz PTSUSSTXEKCIRH-UHFFFAOYSA-N -1 3 366.361 2.690 20 30 FFEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCc4cc(C#N)ccc43)cn21 ZINC000591328311 519592906 /nfs/dbraw/zinc/59/29/06/519592906.db2.gz OPEIVIDGQOKZSJ-MLGOLLRUSA-N -1 3 356.451 2.618 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594474662 519984857 /nfs/dbraw/zinc/98/48/57/519984857.db2.gz QIFRXCGAEJJVHV-HOCLYGCPSA-N -1 3 354.859 2.838 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)oc1C ZINC000594480635 519989341 /nfs/dbraw/zinc/98/93/41/519989341.db2.gz CPTKAVVZMDLIOM-UHFFFAOYSA-N -1 3 374.418 2.604 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000594482539 519990355 /nfs/dbraw/zinc/99/03/55/519990355.db2.gz BIWYCWGJGSKEHV-HUUCEWRRSA-N -1 3 353.875 2.507 20 30 FFEDHM C=CCCSCCNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000600089889 520038919 /nfs/dbraw/zinc/03/89/19/520038919.db2.gz BIGDSAVJARPBMT-UHFFFAOYSA-N -1 3 362.451 2.584 20 30 FFEDHM C=CCCSCCNC(=O)c1cnc2cc(OC)cc(OC)c2c1[O-] ZINC000600089889 520038932 /nfs/dbraw/zinc/03/89/32/520038932.db2.gz BIGDSAVJARPBMT-UHFFFAOYSA-N -1 3 362.451 2.584 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1COC(C)(C)C1 ZINC000594789026 520158966 /nfs/dbraw/zinc/15/89/66/520158966.db2.gz JHDGQDIKODXFJX-LBPRGKRZSA-N -1 3 350.465 2.927 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCOCC1 ZINC000594846346 520186406 /nfs/dbraw/zinc/18/64/06/520186406.db2.gz QVJQIHZXXGMUJX-UHFFFAOYSA-N -1 3 354.428 2.615 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)CCCCC1 ZINC000594852580 520189143 /nfs/dbraw/zinc/18/91/43/520189143.db2.gz LQQKRLUHHOUXLU-ROUUACIJSA-N -1 3 362.495 2.953 20 30 FFEDHM N#CC[C@]1(O)CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000592148892 520227386 /nfs/dbraw/zinc/22/73/86/520227386.db2.gz DXDXPEJGCUOLFH-IBGZPJMESA-N -1 3 366.446 2.914 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600774432 520461454 /nfs/dbraw/zinc/46/14/54/520461454.db2.gz QQZYNAOFKNYKBU-MRXNPFEDSA-N -1 3 365.433 2.930 20 30 FFEDHM C[N-]S(=O)(=O)c1ccc(CNc2nc(C(C)(C)C)ccc2C#N)s1 ZINC000613410287 520488683 /nfs/dbraw/zinc/48/86/83/520488683.db2.gz CSLKNXHDBXMIQN-UHFFFAOYSA-N -1 3 364.496 2.832 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000613573165 520566783 /nfs/dbraw/zinc/56/67/83/520566783.db2.gz UBZPBOWBALSMHG-LLVKDONJSA-N -1 3 361.261 2.674 20 30 FFEDHM CCc1csc([C@H](C)[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)n1 ZINC000601443853 520789341 /nfs/dbraw/zinc/78/93/41/520789341.db2.gz VJAACNREAQMQCS-JTQLQIEISA-N -1 3 353.444 2.897 20 30 FFEDHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611016424 520948301 /nfs/dbraw/zinc/94/83/01/520948301.db2.gz KCQPTUFCTYZFAN-UHFFFAOYSA-N -1 3 365.842 2.872 20 30 FFEDHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3cccc(Cl)c3C#N)nc12 ZINC000611024623 520952674 /nfs/dbraw/zinc/95/26/74/520952674.db2.gz DLOFUSSXCQZASP-UHFFFAOYSA-N -1 3 374.853 2.689 20 30 FFEDHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593535677 521058680 /nfs/dbraw/zinc/05/86/80/521058680.db2.gz CPDNBVUETPPABI-LBPRGKRZSA-N -1 3 350.465 2.928 20 30 FFEDHM CCn1c(CC[N-]S(=O)(=O)c2ccsc2C#N)nc2ccccc21 ZINC000593536968 521059712 /nfs/dbraw/zinc/05/97/12/521059712.db2.gz ZBOGKSGNFQGQIC-UHFFFAOYSA-N -1 3 360.464 2.510 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593573366 521084601 /nfs/dbraw/zinc/08/46/01/521084601.db2.gz QGDUACRCRAJEQW-ZUZCIYMTSA-N -1 3 354.428 2.813 20 30 FFEDHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593585309 521092636 /nfs/dbraw/zinc/09/26/36/521092636.db2.gz DVNJYTKGTKSFCP-HNNXBMFYSA-N -1 3 364.492 2.936 20 30 FFEDHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccco1 ZINC000593597573 521098860 /nfs/dbraw/zinc/09/88/60/521098860.db2.gz AOLZIRQKUJDDSY-VXGBXAGGSA-N -1 3 353.469 2.620 20 30 FFEDHM Cc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccc1[O-] ZINC000611527366 521203480 /nfs/dbraw/zinc/20/34/80/521203480.db2.gz JZJQQJNNNFCZGJ-SFHVURJKSA-N -1 3 353.397 2.862 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(C#N)CCCC2)c1 ZINC000593775475 521206087 /nfs/dbraw/zinc/20/60/87/521206087.db2.gz PIPRWUYRTTUQAQ-UHFFFAOYSA-N -1 3 368.393 2.755 20 30 FFEDHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000611539336 521209246 /nfs/dbraw/zinc/20/92/46/521209246.db2.gz SMMIYTJCZOAMBE-LRDDRELGSA-N -1 3 364.854 2.655 20 30 FFEDHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)nc12 ZINC000611539627 521209420 /nfs/dbraw/zinc/20/94/20/521209420.db2.gz XJSWVPCDHQQQDP-UHFFFAOYSA-N -1 3 374.853 2.689 20 30 FFEDHM CC(C)(C)c1cc([N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)c(C#N)s1 ZINC000602296476 521264895 /nfs/dbraw/zinc/26/48/95/521264895.db2.gz JHCRDGMVBOLSCF-NSHDSACASA-N -1 3 359.455 2.798 20 30 FFEDHM CCN(CC)CCNS(=O)(=O)c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC000593955033 521313747 /nfs/dbraw/zinc/31/37/47/521313747.db2.gz XDKDXKAJVBRSJP-UHFFFAOYSA-N -1 3 373.478 2.551 20 30 FFEDHM CCOc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)CCO2 ZINC000619548515 521763677 /nfs/dbraw/zinc/76/36/77/521763677.db2.gz USJVYLIJVRQKLV-CQSZACIVSA-N -1 3 364.448 2.821 20 30 FFEDHM C=CCn1c(-c2ccccc2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634341511 523357475 /nfs/dbraw/zinc/35/74/75/523357475.db2.gz AUJNWHLONJEMIG-UHFFFAOYSA-N -1 3 363.469 2.760 20 30 FFEDHM Cn1cc(Br)c(=NC(=O)N(CCC#N)Cc2ccccn2)[n-]1 ZINC000603041457 553699558 /nfs/dbraw/zinc/69/95/58/553699558.db2.gz CKOBZIVGCDNPIO-UHFFFAOYSA-N -1 3 363.219 2.525 20 30 FFEDHM CCN=c1[n-]c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cs1 ZINC000527367378 562286691 /nfs/dbraw/zinc/28/66/91/562286691.db2.gz AVXDBQVNBSTFQZ-UHFFFAOYSA-N -1 3 371.466 2.962 20 30 FFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCCCC2)o1 ZINC000819719057 607253032 /nfs/dbraw/zinc/25/30/32/607253032.db2.gz XWMSQSALDLWLPS-UHFFFAOYSA-N -1 3 351.414 2.574 20 30 FFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCCCC2)o1 ZINC000819719057 607253033 /nfs/dbraw/zinc/25/30/33/607253033.db2.gz XWMSQSALDLWLPS-UHFFFAOYSA-N -1 3 351.414 2.574 20 30 FFEDHM COCCC(Cc1cccc(F)c1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821685528 607253961 /nfs/dbraw/zinc/25/39/61/607253961.db2.gz HFBYODDXGOHEFJ-UHFFFAOYSA-N -1 3 368.416 2.731 20 30 FFEDHM COCCC(Cc1cccc(F)c1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821685528 607253962 /nfs/dbraw/zinc/25/39/62/607253962.db2.gz HFBYODDXGOHEFJ-UHFFFAOYSA-N -1 3 368.416 2.731 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCON=Cc1ccc(C)cc1 ZINC000737032025 598977946 /nfs/dbraw/zinc/97/79/46/598977946.db2.gz GXAQLAGUGQMZNK-UHFFFAOYSA-N -1 3 353.382 2.613 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=Cc1ccc(C)cc1 ZINC000737032025 598977947 /nfs/dbraw/zinc/97/79/47/598977947.db2.gz GXAQLAGUGQMZNK-UHFFFAOYSA-N -1 3 353.382 2.613 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)cn1 ZINC000737709212 598990116 /nfs/dbraw/zinc/99/01/16/598990116.db2.gz JIIGTRYJLQSDKH-UHFFFAOYSA-N -1 3 371.360 2.573 20 30 FFEDHM N#Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)cn1 ZINC000737709212 598990117 /nfs/dbraw/zinc/99/01/17/598990117.db2.gz JIIGTRYJLQSDKH-UHFFFAOYSA-N -1 3 371.360 2.573 20 30 FFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737712732 599064171 /nfs/dbraw/zinc/06/41/71/599064171.db2.gz RMHKSCIDSGVNRB-LRPCQRGVSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737712732 599064174 /nfs/dbraw/zinc/06/41/74/599064174.db2.gz RMHKSCIDSGVNRB-LRPCQRGVSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1cccc(C=C2COCC(=Cc3cccc(-c4nnn[n-]4)c3)C2=O)c1 ZINC000737722503 599064543 /nfs/dbraw/zinc/06/45/43/599064543.db2.gz JVNGCAPXUCFKHO-LRPCQRGVSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1cccc(C=C2COCC(=Cc3cccc(-c4nn[n-]n4)c3)C2=O)c1 ZINC000737722503 599064544 /nfs/dbraw/zinc/06/45/44/599064544.db2.gz JVNGCAPXUCFKHO-LRPCQRGVSA-N -1 3 369.384 2.805 20 30 FFEDHM N#CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000737692571 599066474 /nfs/dbraw/zinc/06/64/74/599066474.db2.gz IKOBHZLJEQVVCJ-UHFFFAOYSA-N -1 3 368.397 2.655 20 30 FFEDHM N#CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000737692571 599066477 /nfs/dbraw/zinc/06/64/77/599066477.db2.gz IKOBHZLJEQVVCJ-UHFFFAOYSA-N -1 3 368.397 2.655 20 30 FFEDHM Cc1nn(C)c2ncc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)cc12 ZINC000822497042 599116781 /nfs/dbraw/zinc/11/67/81/599116781.db2.gz WWTQKLSQZVRDHK-AUWJEWJLSA-N -1 3 371.404 2.669 20 30 FFEDHM Cc1nn(C)c2ncc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)cc12 ZINC000822497042 599116783 /nfs/dbraw/zinc/11/67/83/599116783.db2.gz WWTQKLSQZVRDHK-AUWJEWJLSA-N -1 3 371.404 2.669 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000735636136 599125318 /nfs/dbraw/zinc/12/53/18/599125318.db2.gz PVJDBWVMIZWRIW-ZDUSSCGKSA-N -1 3 371.445 2.959 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000735636136 599125320 /nfs/dbraw/zinc/12/53/20/599125320.db2.gz PVJDBWVMIZWRIW-ZDUSSCGKSA-N -1 3 371.445 2.959 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000737107600 599150867 /nfs/dbraw/zinc/15/08/67/599150867.db2.gz DHBUBGGPAXWPFJ-QPJJXVBHSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000737107600 599150869 /nfs/dbraw/zinc/15/08/69/599150869.db2.gz DHBUBGGPAXWPFJ-QPJJXVBHSA-N -1 3 366.377 2.789 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2OC2CCC2)ccc1-c1nnn[n-]1 ZINC000737709483 599193150 /nfs/dbraw/zinc/19/31/50/599193150.db2.gz OPRMAXVRZANXKV-UHFFFAOYSA-N -1 3 360.377 2.922 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2OC2CCC2)ccc1-c1nn[n-]n1 ZINC000737709483 599193151 /nfs/dbraw/zinc/19/31/51/599193151.db2.gz OPRMAXVRZANXKV-UHFFFAOYSA-N -1 3 360.377 2.922 20 30 FFEDHM Cc1c(NC(=O)c2cc3ccccc3n2CC#N)cccc1-c1nnn[n-]1 ZINC000822108424 607321112 /nfs/dbraw/zinc/32/11/12/607321112.db2.gz JDSQHENYZVTMRB-UHFFFAOYSA-N -1 3 357.377 2.906 20 30 FFEDHM Cc1c(NC(=O)c2cc3ccccc3n2CC#N)cccc1-c1nn[n-]n1 ZINC000822108424 607321113 /nfs/dbraw/zinc/32/11/13/607321113.db2.gz JDSQHENYZVTMRB-UHFFFAOYSA-N -1 3 357.377 2.906 20 30 FFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC#Cc1ccc(F)cc1 ZINC000822505620 607327483 /nfs/dbraw/zinc/32/74/83/607327483.db2.gz OYGRNHRYWBVTDN-UHFFFAOYSA-N -1 3 359.368 2.624 20 30 FFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC#Cc1ccc(F)cc1 ZINC000822505620 607327484 /nfs/dbraw/zinc/32/74/84/607327484.db2.gz OYGRNHRYWBVTDN-UHFFFAOYSA-N -1 3 359.368 2.624 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1cccc(C#N)c1 ZINC000735661094 598277358 /nfs/dbraw/zinc/27/73/58/598277358.db2.gz IQCNSLPIDUMHQR-UHFFFAOYSA-N -1 3 364.413 2.617 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1cccc(C#N)c1 ZINC000735661094 598277359 /nfs/dbraw/zinc/27/73/59/598277359.db2.gz IQCNSLPIDUMHQR-UHFFFAOYSA-N -1 3 364.413 2.617 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737307433 598323803 /nfs/dbraw/zinc/32/38/03/598323803.db2.gz XPQVNNJCSYBLSM-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737307433 598323805 /nfs/dbraw/zinc/32/38/05/598323805.db2.gz XPQVNNJCSYBLSM-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000736186439 598489514 /nfs/dbraw/zinc/48/95/14/598489514.db2.gz BXAVOFGURBKFQN-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000736186439 598489516 /nfs/dbraw/zinc/48/95/16/598489516.db2.gz BXAVOFGURBKFQN-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736169727 598491794 /nfs/dbraw/zinc/49/17/94/598491794.db2.gz OMXVBRMWCJSDTG-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736169727 598491795 /nfs/dbraw/zinc/49/17/95/598491795.db2.gz OMXVBRMWCJSDTG-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735502197 598495407 /nfs/dbraw/zinc/49/54/07/598495407.db2.gz BVQKHCSGKVHRJU-NSHDSACASA-N -1 3 365.422 2.766 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735502197 598495409 /nfs/dbraw/zinc/49/54/09/598495409.db2.gz BVQKHCSGKVHRJU-NSHDSACASA-N -1 3 365.422 2.766 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380120 598513690 /nfs/dbraw/zinc/51/36/90/598513690.db2.gz CVKSTLHSIUHHLU-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380120 598513691 /nfs/dbraw/zinc/51/36/91/598513691.db2.gz CVKSTLHSIUHHLU-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2ccccc2C#N)c1-c1nnn[n-]1 ZINC000736676418 598517575 /nfs/dbraw/zinc/51/75/75/598517575.db2.gz UQNITHMUYHPBIK-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2ccccc2C#N)c1-c1nn[n-]n1 ZINC000736676418 598517577 /nfs/dbraw/zinc/51/75/77/598517577.db2.gz UQNITHMUYHPBIK-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM C=CCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735431815 598633601 /nfs/dbraw/zinc/63/36/01/598633601.db2.gz IWIOKVKMXOZNFM-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735431815 598633603 /nfs/dbraw/zinc/63/36/03/598633603.db2.gz IWIOKVKMXOZNFM-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000737730311 598647232 /nfs/dbraw/zinc/64/72/32/598647232.db2.gz IFCMJBUTQIJRHD-UHFFFAOYSA-N -1 3 368.422 2.988 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000737730311 598647233 /nfs/dbraw/zinc/64/72/33/598647233.db2.gz IFCMJBUTQIJRHD-UHFFFAOYSA-N -1 3 368.422 2.988 20 30 FFEDHM C=CC1CCN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)CC1 ZINC000735402484 598693568 /nfs/dbraw/zinc/69/35/68/598693568.db2.gz BZIPOCXXECIVCF-UHFFFAOYSA-N -1 3 370.482 2.899 20 30 FFEDHM N#CCCCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737686533 598726469 /nfs/dbraw/zinc/72/64/69/598726469.db2.gz CGVRQNVJBYXGLB-UHFFFAOYSA-N -1 3 364.365 2.905 20 30 FFEDHM N#CCCCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737686533 598726471 /nfs/dbraw/zinc/72/64/71/598726471.db2.gz CGVRQNVJBYXGLB-UHFFFAOYSA-N -1 3 364.365 2.905 20 30 FFEDHM C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120689 598817149 /nfs/dbraw/zinc/81/71/49/598817149.db2.gz ZTAMUAKQVZVHAX-ZDUSSCGKSA-N -1 3 371.404 2.836 20 30 FFEDHM C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120689 598817151 /nfs/dbraw/zinc/81/71/51/598817151.db2.gz ZTAMUAKQVZVHAX-ZDUSSCGKSA-N -1 3 371.404 2.836 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccc2ccccc2n1 ZINC000737705623 599367976 /nfs/dbraw/zinc/36/79/76/599367976.db2.gz PURYYNMLEZMSFE-UHFFFAOYSA-N -1 3 360.406 2.556 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccc2ccccc2n1 ZINC000737705623 599367979 /nfs/dbraw/zinc/36/79/79/599367979.db2.gz PURYYNMLEZMSFE-UHFFFAOYSA-N -1 3 360.406 2.556 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000822135869 599389712 /nfs/dbraw/zinc/38/97/12/599389712.db2.gz GENUDIYRYWKLII-UHFFFAOYSA-N -1 3 373.376 2.984 20 30 FFEDHM C=CCOCCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC000819759379 599628945 /nfs/dbraw/zinc/62/89/45/599628945.db2.gz VRDGQSVDPQUZJW-UHFFFAOYSA-N -1 3 366.805 2.807 20 30 FFEDHM C=CCOCCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC000819759379 599628946 /nfs/dbraw/zinc/62/89/46/599628946.db2.gz VRDGQSVDPQUZJW-UHFFFAOYSA-N -1 3 366.805 2.807 20 30 FFEDHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000821346420 599631054 /nfs/dbraw/zinc/63/10/54/599631054.db2.gz IMQCAKCBHJZSIR-VIFPVBQESA-N -1 3 369.410 2.545 20 30 FFEDHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000821346420 599631055 /nfs/dbraw/zinc/63/10/55/599631055.db2.gz IMQCAKCBHJZSIR-VIFPVBQESA-N -1 3 369.410 2.545 20 30 FFEDHM N#CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC000822802079 599633057 /nfs/dbraw/zinc/63/30/57/599633057.db2.gz VCJSNBZTPKJYDS-UHFFFAOYSA-N -1 3 350.304 2.908 20 30 FFEDHM N#CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC000822802079 599633058 /nfs/dbraw/zinc/63/30/58/599633058.db2.gz VCJSNBZTPKJYDS-UHFFFAOYSA-N -1 3 350.304 2.908 20 30 FFEDHM N#CC(C(=O)CCCNC(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000739075358 599798454 /nfs/dbraw/zinc/79/84/54/599798454.db2.gz RVPIBCROMHMFAZ-NSHDSACASA-N -1 3 371.365 2.696 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000825660132 602203519 /nfs/dbraw/zinc/20/35/19/602203519.db2.gz UYCGCWHBQYWCLL-NRFANRHFSA-N -1 3 356.466 2.990 20 30 FFEDHM C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)N1C(=O)[O-] ZINC000739178880 602830589 /nfs/dbraw/zinc/83/05/89/602830589.db2.gz SRBPBLPHOWSEJA-JHJVBQTASA-N -1 3 372.450 2.545 20 30 FFEDHM C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)N1C(=O)[O-] ZINC000739178886 602830745 /nfs/dbraw/zinc/83/07/45/602830745.db2.gz SRBPBLPHOWSEJA-XQQFMLRXSA-N -1 3 372.450 2.545 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831064105 604222854 /nfs/dbraw/zinc/22/28/54/604222854.db2.gz BZPQKJWDRUIWKB-NGZCFLSTSA-N -1 3 367.764 2.563 20 30 FFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826456515 607690837 /nfs/dbraw/zinc/69/08/37/607690837.db2.gz ITMWUWCLLMGOGJ-UHFFFAOYSA-N -1 3 360.402 2.908 20 30 FFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826456515 607690839 /nfs/dbraw/zinc/69/08/39/607690839.db2.gz ITMWUWCLLMGOGJ-UHFFFAOYSA-N -1 3 360.402 2.908 20 30 FFEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cn2)c1 ZINC000826387199 607696812 /nfs/dbraw/zinc/69/68/12/607696812.db2.gz KKNLCCPWCCHCTI-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cn2)c1 ZINC000826387199 607696813 /nfs/dbraw/zinc/69/68/13/607696813.db2.gz KKNLCCPWCCHCTI-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM N#CC1(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCC1 ZINC000826379973 607770625 /nfs/dbraw/zinc/77/06/25/607770625.db2.gz IQRNDJJOHCQUQP-UHFFFAOYSA-N -1 3 351.395 2.623 20 30 FFEDHM N#CC1(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCC1 ZINC000826379973 607770626 /nfs/dbraw/zinc/77/06/26/607770626.db2.gz IQRNDJJOHCQUQP-UHFFFAOYSA-N -1 3 351.395 2.623 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC000822823158 606127728 /nfs/dbraw/zinc/12/77/28/606127728.db2.gz LVGMTOJZGWAVCP-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC000822823158 606127729 /nfs/dbraw/zinc/12/77/29/606127729.db2.gz LVGMTOJZGWAVCP-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#Cc1ccccc1 ZINC000820087261 606150433 /nfs/dbraw/zinc/15/04/33/606150433.db2.gz OMVDAQXDWLSXCB-UHFFFAOYSA-N -1 3 359.433 2.903 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#Cc1ccccc1 ZINC000820087261 606150436 /nfs/dbraw/zinc/15/04/36/606150436.db2.gz OMVDAQXDWLSXCB-UHFFFAOYSA-N -1 3 359.433 2.903 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821693591 606339237 /nfs/dbraw/zinc/33/92/37/606339237.db2.gz FNILBLBEKWPGHJ-ZHACJKMWSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821693591 606339240 /nfs/dbraw/zinc/33/92/40/606339240.db2.gz FNILBLBEKWPGHJ-ZHACJKMWSA-N -1 3 350.378 2.788 20 30 FFEDHM Brc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC000819688798 606369545 /nfs/dbraw/zinc/36/95/45/606369545.db2.gz MGMRGCJLUNPKIK-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM Brc1ccc(CNN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819688150 606369821 /nfs/dbraw/zinc/36/98/21/606369821.db2.gz DSMMQINFIOUXGJ-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM N#Cc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822825377 606557415 /nfs/dbraw/zinc/55/74/15/606557415.db2.gz COTYZQPGDKNMSH-UHFFFAOYSA-N -1 3 371.303 2.697 20 30 FFEDHM N#Cc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822825377 606557417 /nfs/dbraw/zinc/55/74/17/606557417.db2.gz COTYZQPGDKNMSH-UHFFFAOYSA-N -1 3 371.303 2.697 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc(C=O)c1 ZINC000819745612 606659838 /nfs/dbraw/zinc/65/98/38/606659838.db2.gz MAIHKKLBJZATDW-UHFFFAOYSA-N -1 3 353.407 2.569 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc(C=O)c1 ZINC000819745612 606659839 /nfs/dbraw/zinc/65/98/39/606659839.db2.gz MAIHKKLBJZATDW-UHFFFAOYSA-N -1 3 353.407 2.569 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819701408 606674743 /nfs/dbraw/zinc/67/47/43/606674743.db2.gz GAWQGZKJWNKEGN-UHFFFAOYSA-N -1 3 371.322 2.560 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819701408 606674744 /nfs/dbraw/zinc/67/47/44/606674744.db2.gz GAWQGZKJWNKEGN-UHFFFAOYSA-N -1 3 371.322 2.560 20 30 FFEDHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000820384480 606684256 /nfs/dbraw/zinc/68/42/56/606684256.db2.gz GIBMFNXZBXPEGO-VIFPVBQESA-N -1 3 354.320 2.508 20 30 FFEDHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000820384480 606684257 /nfs/dbraw/zinc/68/42/57/606684257.db2.gz GIBMFNXZBXPEGO-VIFPVBQESA-N -1 3 354.320 2.508 20 30 FFEDHM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820518304 606732533 /nfs/dbraw/zinc/73/25/33/606732533.db2.gz AOZWMTRZUIRNDF-GFCCVEGCSA-N -1 3 354.414 2.805 20 30 FFEDHM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820518304 606732534 /nfs/dbraw/zinc/73/25/34/606732534.db2.gz AOZWMTRZUIRNDF-GFCCVEGCSA-N -1 3 354.414 2.805 20 30 FFEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819844700 606834085 /nfs/dbraw/zinc/83/40/85/606834085.db2.gz KWAICAIKNYKOGB-LBPRGKRZSA-N -1 3 363.381 2.940 20 30 FFEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819844700 606834087 /nfs/dbraw/zinc/83/40/87/606834087.db2.gz KWAICAIKNYKOGB-LBPRGKRZSA-N -1 3 363.381 2.940 20 30 FFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000822193285 606846042 /nfs/dbraw/zinc/84/60/42/606846042.db2.gz QXOMLTDMEUEISW-CQSZACIVSA-N -1 3 352.423 2.576 20 30 FFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000822193285 606846043 /nfs/dbraw/zinc/84/60/43/606846043.db2.gz QXOMLTDMEUEISW-CQSZACIVSA-N -1 3 352.423 2.576 20 30 FFEDHM C#CCCCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000819693376 606955657 /nfs/dbraw/zinc/95/56/57/606955657.db2.gz RCLMLXWUWWGMAR-UHFFFAOYSA-N -1 3 365.393 2.572 20 30 FFEDHM C#CCCCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000819693376 606955659 /nfs/dbraw/zinc/95/56/59/606955659.db2.gz RCLMLXWUWWGMAR-UHFFFAOYSA-N -1 3 365.393 2.572 20 30 FFEDHM N#CCCN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000822805745 607011204 /nfs/dbraw/zinc/01/12/04/607011204.db2.gz BONFHIRXFKTEFP-UHFFFAOYSA-N -1 3 364.434 2.906 20 30 FFEDHM N#CCCN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000822805745 607011205 /nfs/dbraw/zinc/01/12/05/607011205.db2.gz BONFHIRXFKTEFP-UHFFFAOYSA-N -1 3 364.434 2.906 20 30 FFEDHM N#Cc1cccc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822837004 607013811 /nfs/dbraw/zinc/01/38/11/607013811.db2.gz DSJQVCUOULKBOA-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1cccc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822837004 607013812 /nfs/dbraw/zinc/01/38/12/607013812.db2.gz DSJQVCUOULKBOA-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819709348 607020663 /nfs/dbraw/zinc/02/06/63/607020663.db2.gz DUGXEYDGPTXVIF-UHFFFAOYSA-N -1 3 361.405 2.668 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819709348 607020665 /nfs/dbraw/zinc/02/06/65/607020665.db2.gz DUGXEYDGPTXVIF-UHFFFAOYSA-N -1 3 361.405 2.668 20 30 FFEDHM CC(C)c1nc(C#N)c(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)o1 ZINC000820203383 607148527 /nfs/dbraw/zinc/14/85/27/607148527.db2.gz SXADYJGISVACHE-UHFFFAOYSA-N -1 3 361.369 2.777 20 30 FFEDHM CC(C)c1nc(C#N)c(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)o1 ZINC000820203383 607148529 /nfs/dbraw/zinc/14/85/29/607148529.db2.gz SXADYJGISVACHE-UHFFFAOYSA-N -1 3 361.369 2.777 20 30 FFEDHM C[C@@H](C#N)CN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000824035303 607817385 /nfs/dbraw/zinc/81/73/85/607817385.db2.gz WNRXQHFRZSCPDN-NSHDSACASA-N -1 3 356.434 2.579 20 30 FFEDHM C[C@@H](C#N)CN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000824035303 607817386 /nfs/dbraw/zinc/81/73/86/607817386.db2.gz WNRXQHFRZSCPDN-NSHDSACASA-N -1 3 356.434 2.579 20 30 FFEDHM O=C(NCC#Cc1ccccc1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826432931 607833741 /nfs/dbraw/zinc/83/37/41/607833741.db2.gz PQKRMYMCVLODLX-UHFFFAOYSA-N -1 3 372.215 2.955 20 30 FFEDHM O=C(NCC#Cc1ccccc1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826432931 607833742 /nfs/dbraw/zinc/83/37/42/607833742.db2.gz PQKRMYMCVLODLX-UHFFFAOYSA-N -1 3 372.215 2.955 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c(C)onc1CC ZINC000823909456 607856922 /nfs/dbraw/zinc/85/69/22/607856922.db2.gz FFUUYXUVYIBDPA-UHFFFAOYSA-N -1 3 367.413 2.946 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c(C)onc1CC ZINC000823909456 607856923 /nfs/dbraw/zinc/85/69/23/607856923.db2.gz FFUUYXUVYIBDPA-UHFFFAOYSA-N -1 3 367.413 2.946 20 30 FFEDHM Cc1cccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000826299420 607881841 /nfs/dbraw/zinc/88/18/41/607881841.db2.gz DMNGIBOLWQNQRU-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM Cc1cccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826299420 607881842 /nfs/dbraw/zinc/88/18/42/607881842.db2.gz DMNGIBOLWQNQRU-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826162593 607884242 /nfs/dbraw/zinc/88/42/42/607884242.db2.gz JKXAHIFPDJPEOG-DHZHZOJOSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826162593 607884243 /nfs/dbraw/zinc/88/42/43/607884243.db2.gz JKXAHIFPDJPEOG-DHZHZOJOSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826162659 607916987 /nfs/dbraw/zinc/91/69/87/607916987.db2.gz MMZIATOJHDFKMF-OQFOIZHKSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826162659 607916988 /nfs/dbraw/zinc/91/69/88/607916988.db2.gz MMZIATOJHDFKMF-OQFOIZHKSA-N -1 3 368.368 2.927 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ncc(Br)s1 ZINC000826401713 607930545 /nfs/dbraw/zinc/93/05/45/607930545.db2.gz FLPAIKUNONCYFO-WAYWQWQTSA-N -1 3 362.212 2.982 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ncc(Br)s1 ZINC000826401713 607930546 /nfs/dbraw/zinc/93/05/46/607930546.db2.gz FLPAIKUNONCYFO-WAYWQWQTSA-N -1 3 362.212 2.982 20 30 FFEDHM C#CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823839044 607940382 /nfs/dbraw/zinc/94/03/82/607940382.db2.gz YZIIQQJNLCIHRC-GOSISDBHSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CC[C@@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823839044 607940383 /nfs/dbraw/zinc/94/03/83/607940383.db2.gz YZIIQQJNLCIHRC-GOSISDBHSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823838260 607960713 /nfs/dbraw/zinc/96/07/13/607960713.db2.gz MXTWFJQAOQUFJY-INIZCTEOSA-N -1 3 350.357 2.892 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823838260 607960714 /nfs/dbraw/zinc/96/07/14/607960714.db2.gz MXTWFJQAOQUFJY-INIZCTEOSA-N -1 3 350.357 2.892 20 30 FFEDHM C#C[C@@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000823837991 608454639 /nfs/dbraw/zinc/45/46/39/608454639.db2.gz KLBPTIQMUMOCAY-MRXNPFEDSA-N -1 3 364.361 2.607 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C#N)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234100 608879450 /nfs/dbraw/zinc/87/94/50/608879450.db2.gz IDUXPDHXHAUANO-FNORWQNLSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C#N)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234100 608879452 /nfs/dbraw/zinc/87/94/52/608879452.db2.gz IDUXPDHXHAUANO-FNORWQNLSA-N -1 3 362.368 2.830 20 30 FFEDHM CC(=NNCCCOc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953894 609158871 /nfs/dbraw/zinc/15/88/71/609158871.db2.gz URSUUWRQGLUZNC-UHFFFAOYSA-N -1 3 354.389 2.789 20 30 FFEDHM CC(=NNCCCOc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953894 609158873 /nfs/dbraw/zinc/15/88/73/609158873.db2.gz URSUUWRQGLUZNC-UHFFFAOYSA-N -1 3 354.389 2.789 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953833 609275360 /nfs/dbraw/zinc/27/53/60/609275360.db2.gz RUTISGIJIRFKBK-UHFFFAOYSA-N -1 3 369.257 2.793 20 30 FFEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953833 609275361 /nfs/dbraw/zinc/27/53/61/609275361.db2.gz RUTISGIJIRFKBK-UHFFFAOYSA-N -1 3 369.257 2.793 20 30 FFEDHM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963262 609277682 /nfs/dbraw/zinc/27/76/82/609277682.db2.gz ZXJWNOWLTVMALG-UHFFFAOYSA-N -1 3 364.344 2.892 20 30 FFEDHM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963262 609277684 /nfs/dbraw/zinc/27/76/84/609277684.db2.gz ZXJWNOWLTVMALG-UHFFFAOYSA-N -1 3 364.344 2.892 20 30 FFEDHM C=C(C)CN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823872644 609397984 /nfs/dbraw/zinc/39/79/84/609397984.db2.gz CFAJJTSGTPUNBP-UHFFFAOYSA-N -1 3 350.426 2.922 20 30 FFEDHM N#CCOc1ccccc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826382206 609616236 /nfs/dbraw/zinc/61/62/36/609616236.db2.gz SWYXGZLAVHHLPL-UHFFFAOYSA-N -1 3 369.768 2.779 20 30 FFEDHM N#CCOc1ccccc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826382206 609616237 /nfs/dbraw/zinc/61/62/37/609616237.db2.gz SWYXGZLAVHHLPL-UHFFFAOYSA-N -1 3 369.768 2.779 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)ccc1F ZINC000045362265 728001353 /nfs/dbraw/zinc/00/13/53/728001353.db2.gz AHNMMOSPPDZRIH-CZUORRHYSA-N -1 3 368.474 2.941 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cccc(Cl)c2)cc1 ZINC000746492543 735488269 /nfs/dbraw/zinc/48/82/69/735488269.db2.gz YCCFILPEBYFQBU-UHFFFAOYSA-N -1 3 353.787 2.702 20 30 FFEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3ccco3)nc(=O)c2c1C ZINC000053844636 728083755 /nfs/dbraw/zinc/08/37/55/728083755.db2.gz OTRHEWRGBQZGOR-UHFFFAOYSA-N -1 3 358.375 2.654 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000126466572 728703292 /nfs/dbraw/zinc/70/32/92/728703292.db2.gz OWUUSWNVLXYFIK-UHFFFAOYSA-N -1 3 351.449 2.770 20 30 FFEDHM C=CCCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000135096794 728735717 /nfs/dbraw/zinc/73/57/17/728735717.db2.gz PDNKFIAWMUCHPG-UHFFFAOYSA-N -1 3 356.463 2.941 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)n2)ccc1F ZINC000177502186 729137645 /nfs/dbraw/zinc/13/76/45/729137645.db2.gz KBPBNJIJNBLCNO-UHFFFAOYSA-N -1 3 369.805 2.591 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000862542336 730708026 /nfs/dbraw/zinc/70/80/26/730708026.db2.gz MMTJXCQEQHGGTE-ZDUSSCGKSA-N -1 3 354.447 2.551 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000647368301 730738881 /nfs/dbraw/zinc/73/88/81/730738881.db2.gz SXFQUKBAJUKCJI-DZKIICNBSA-N -1 3 350.484 2.694 20 30 FFEDHM COC(=O)[C@H](C[C@H]1CCCOC1)/N=C\c1cc(Br)ccc1[O-] ZINC000864346247 730840700 /nfs/dbraw/zinc/84/07/00/730840700.db2.gz RGDJIZJWXDVPGE-KPNYTRPLSA-N -1 3 370.243 2.932 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000877775550 732427312 /nfs/dbraw/zinc/42/73/12/732427312.db2.gz NHCZSNHHMWCBHF-BLLLJJGKSA-N -1 3 355.360 2.620 20 30 FFEDHM C=CC[C@H](C(=O)OC)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000878212594 732499497 /nfs/dbraw/zinc/49/94/97/732499497.db2.gz OEBLPPFTUYRGMX-OAHLLOKOSA-N -1 3 366.845 2.814 20 30 FFEDHM O=C(Nc1ccc(Br)c(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000878994167 732628410 /nfs/dbraw/zinc/62/84/10/732628410.db2.gz NIULSJXRQSYZCP-JTQLQIEISA-N -1 3 362.611 2.604 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCSC[C@H]1C1CC1 ZINC000888498701 734064703 /nfs/dbraw/zinc/06/47/03/734064703.db2.gz GPFBSTXHGSHUNO-KRWDZBQOSA-N -1 3 359.495 2.952 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cccnc2)ccc1F ZINC000733438380 734820925 /nfs/dbraw/zinc/82/09/25/734820925.db2.gz ZOETWGPHEFJRSE-GFCCVEGCSA-N -1 3 364.398 2.603 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C[C@@H](C)CC)ccc1F ZINC000742720187 735251213 /nfs/dbraw/zinc/25/12/13/735251213.db2.gz RJPDEMUUMNQUFQ-STQMWFEESA-N -1 3 356.463 2.845 20 30 FFEDHM N#CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1)C(F)(F)F ZINC000901774735 735837576 /nfs/dbraw/zinc/83/75/76/735837576.db2.gz IXCNMSVOECTDDF-SECBINFHSA-N -1 3 357.151 2.572 20 30 FFEDHM C[C@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCCS1(=O)=O ZINC000904178504 736230675 /nfs/dbraw/zinc/23/06/75/736230675.db2.gz MCFVIBFPVZDESP-CYBMUJFWSA-N -1 3 352.239 2.679 20 30 FFEDHM COc1ccc(C=NNC(=S)NCC2CCC2)c(Br)c1[O-] ZINC000761011822 736687874 /nfs/dbraw/zinc/68/78/74/736687874.db2.gz JALRBQYCOUDZFK-UHFFFAOYSA-N -1 3 372.288 2.761 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847694 736842949 /nfs/dbraw/zinc/84/29/49/736842949.db2.gz RZWUONUJFGHNAP-JKSUJKDBSA-N -1 3 365.861 2.546 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC2CC2)ccc1F ZINC000769533535 737540319 /nfs/dbraw/zinc/54/03/19/737540319.db2.gz DWFAUJYXZDFIKJ-LBPRGKRZSA-N -1 3 354.447 2.599 20 30 FFEDHM CCCCC[C@@H](C)CNC(=S)NN=Cc1c([O-])c(C)ncc1CO ZINC000916276240 737691793 /nfs/dbraw/zinc/69/17/93/737691793.db2.gz RUGZPRYZDGBHEL-GFCCVEGCSA-N -1 3 352.504 2.602 20 30 FFEDHM Oc1ccccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916321440 737696828 /nfs/dbraw/zinc/69/68/28/737696828.db2.gz ZGEDPLXJDKYPPZ-OAHLLOKOSA-N -1 3 354.391 2.667 20 30 FFEDHM Cc1ncc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)s1 ZINC000917538605 737763028 /nfs/dbraw/zinc/76/30/28/737763028.db2.gz UEJROBNYEUBIPQ-ZDUSSCGKSA-N -1 3 359.436 2.726 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CC)CC2)ccc1F ZINC000918657666 737815907 /nfs/dbraw/zinc/81/59/07/737815907.db2.gz FRXIUHGCVKPICM-UHFFFAOYSA-N -1 3 354.447 2.552 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000773058848 737867127 /nfs/dbraw/zinc/86/71/27/737867127.db2.gz VDJWWXWEYHCGCY-RYUDHWBXSA-N -1 3 367.776 2.818 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)c1 ZINC000786887288 739085903 /nfs/dbraw/zinc/08/59/03/739085903.db2.gz NWDHYHCTCDVBCT-UHFFFAOYSA-N -1 3 365.842 2.760 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Br)n1 ZINC000794027686 739842820 /nfs/dbraw/zinc/84/28/20/739842820.db2.gz UBUXSLJJQSNNCT-UHFFFAOYSA-N -1 3 367.228 2.528 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1 ZINC000794587873 739907658 /nfs/dbraw/zinc/90/76/58/739907658.db2.gz QYVPDQBKZWAYRE-UHFFFAOYSA-N -1 3 356.382 2.878 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795622489 740045464 /nfs/dbraw/zinc/04/54/64/740045464.db2.gz NVZOTZLXKADESK-LBPRGKRZSA-N -1 3 371.256 2.794 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795780876 740062948 /nfs/dbraw/zinc/06/29/48/740062948.db2.gz CXPRGOSHIFRJFX-NSHDSACASA-N -1 3 350.318 2.536 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(C)C ZINC000798473015 740335891 /nfs/dbraw/zinc/33/58/91/740335891.db2.gz YJRIYCJPNQEGCL-LLVKDONJSA-N -1 3 364.236 2.533 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(C)C ZINC000798472227 740335968 /nfs/dbraw/zinc/33/59/68/740335968.db2.gz JFKRWSBMVXOJEJ-LBPRGKRZSA-N -1 3 351.449 2.624 20 30 FFEDHM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(C)cc(C)cc1O ZINC000799881899 740460216 /nfs/dbraw/zinc/46/02/16/740460216.db2.gz VHLQBJOCXTZRBS-UHFFFAOYSA-N -1 3 363.395 2.620 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(Cl)cc1 ZINC000810099414 741385788 /nfs/dbraw/zinc/38/57/88/741385788.db2.gz ICJQEYBSPYNCFQ-CYBMUJFWSA-N -1 3 367.810 2.681 20 30 FFEDHM Cc1ccc(S(=O)(=O)CCCOC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811184084 741491660 /nfs/dbraw/zinc/49/16/60/741491660.db2.gz GVRCHFSQIFCASB-UHFFFAOYSA-N -1 3 359.403 2.593 20 30 FFEDHM C=CCCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000813672440 741746899 /nfs/dbraw/zinc/74/68/99/741746899.db2.gz HHXKELDMIQLNHW-MRXNPFEDSA-N -1 3 372.918 2.896 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000816695500 742053974 /nfs/dbraw/zinc/05/39/74/742053974.db2.gz DJWBGJGBZZFWDW-INIZCTEOSA-N -1 3 360.797 2.639 20 30 FFEDHM CN1CCC(C#N)([N-]C(=O)C(F)(F)c2ccccc2Br)CC1 ZINC000823157772 742841576 /nfs/dbraw/zinc/84/15/76/742841576.db2.gz WYQDIXYBHDBNSH-UHFFFAOYSA-N -1 3 372.213 2.645 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nnc(C(C)C)s1 ZINC000837391763 746437170 /nfs/dbraw/zinc/43/71/70/746437170.db2.gz RYPHDOFXTNJEMV-UHFFFAOYSA-N -1 3 360.439 2.927 20 30 FFEDHM CCCCOc1c(Cl)cc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1OC ZINC000848139040 748851343 /nfs/dbraw/zinc/85/13/43/748851343.db2.gz WSDSQYWSSXMVET-CYBMUJFWSA-N -1 3 370.833 2.638 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000848453410 748930263 /nfs/dbraw/zinc/93/02/63/748930263.db2.gz KVDDUYKFYPGCQX-UHFFFAOYSA-N -1 3 368.430 2.529 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000848695188 748987737 /nfs/dbraw/zinc/98/77/37/748987737.db2.gz WYEQOSMTFIPGPR-APPDUMDISA-N -1 3 368.430 2.672 20 30 FFEDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccsc3C#N)CC2)c1[O-] ZINC000852344793 749840800 /nfs/dbraw/zinc/84/08/00/749840800.db2.gz YCJFHNRFONNPGN-UHFFFAOYSA-N -1 3 359.426 2.989 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C(C)C)cc2)nc(C)n1 ZINC000049407231 845188060 /nfs/dbraw/zinc/18/80/60/845188060.db2.gz SAKONWBUQYTOHF-MRXNPFEDSA-N -1 3 357.435 2.766 20 30 FFEDHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736772217 944889310 /nfs/dbraw/zinc/88/93/10/944889310.db2.gz CMMXSKPRBHXAIS-MSOLQXFVSA-N -1 3 373.420 2.547 20 30 FFEDHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736772217 944889317 /nfs/dbraw/zinc/88/93/17/944889317.db2.gz CMMXSKPRBHXAIS-MSOLQXFVSA-N -1 3 373.420 2.547 20 30 FFEDHM FC(F)(F)Oc1ccccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822718541 946163216 /nfs/dbraw/zinc/16/32/16/946163216.db2.gz MIZSSFBQMXDUMR-UHFFFAOYSA-N -1 3 362.315 2.889 20 30 FFEDHM FC(F)(F)Oc1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822718541 946163228 /nfs/dbraw/zinc/16/32/28/946163228.db2.gz MIZSSFBQMXDUMR-UHFFFAOYSA-N -1 3 362.315 2.889 20 30 FFEDHM C=C(C)CN1C[C@@]2(F)CN(Cc3c([O-])cccc3Cl)C[C@@]2(F)C1=O ZINC001275838461 1013065537 /nfs/dbraw/zinc/06/55/37/1013065537.db2.gz YJRWXDPSFQTUGI-DLBZAZTESA-N -1 3 356.800 2.696 20 30 FFEDHM C=CC[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823887905 946502150 /nfs/dbraw/zinc/50/21/50/946502150.db2.gz APPIOVSMKWKPOW-SNVBAGLBSA-N -1 3 372.820 2.792 20 30 FFEDHM C=CC[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823887905 946502153 /nfs/dbraw/zinc/50/21/53/946502153.db2.gz APPIOVSMKWKPOW-SNVBAGLBSA-N -1 3 372.820 2.792 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1nc(N)c2ccccc2n1 ZINC000823915108 946518367 /nfs/dbraw/zinc/51/83/67/946518367.db2.gz SFQJOUMOFHFPTP-UHFFFAOYSA-N -1 3 372.436 2.580 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1nc(N)c2ccccc2n1 ZINC000823915108 946518371 /nfs/dbraw/zinc/51/83/71/946518371.db2.gz SFQJOUMOFHFPTP-UHFFFAOYSA-N -1 3 372.436 2.580 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(C)(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573299252 947092131 /nfs/dbraw/zinc/09/21/31/947092131.db2.gz JHIXRYDDAQSXCR-UHFFFAOYSA-N -1 3 373.436 2.550 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(C)(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573299252 947092140 /nfs/dbraw/zinc/09/21/40/947092140.db2.gz JHIXRYDDAQSXCR-UHFFFAOYSA-N -1 3 373.436 2.550 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573314521 947231973 /nfs/dbraw/zinc/23/19/73/947231973.db2.gz CQANWGJPSTYPPU-BBRMVZONSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573314521 947231988 /nfs/dbraw/zinc/23/19/88/947231988.db2.gz CQANWGJPSTYPPU-BBRMVZONSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573315059 947242368 /nfs/dbraw/zinc/24/23/68/947242368.db2.gz JPEWBWLLYHDHRJ-WLYUNCDWSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573315059 947242378 /nfs/dbraw/zinc/24/23/78/947242378.db2.gz JPEWBWLLYHDHRJ-WLYUNCDWSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CCCC(=O)N[C@H]1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573327721 947396309 /nfs/dbraw/zinc/39/63/09/947396309.db2.gz JYZRVADHVJSIOP-HOCLYGCPSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@H]1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573327721 947396320 /nfs/dbraw/zinc/39/63/20/947396320.db2.gz JYZRVADHVJSIOP-HOCLYGCPSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001573334494 947457365 /nfs/dbraw/zinc/45/73/65/947457365.db2.gz DTHJEPSHZJBCLA-CQSZACIVSA-N -1 3 363.487 2.648 20 30 FFEDHM C=CCCC[C@@H](C)NS(=O)(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001573334494 947457371 /nfs/dbraw/zinc/45/73/71/947457371.db2.gz DTHJEPSHZJBCLA-CQSZACIVSA-N -1 3 363.487 2.648 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc(OC)c1 ZINC000826178498 947550523 /nfs/dbraw/zinc/55/05/23/947550523.db2.gz AFPJUHQWNLMQSS-UTCJRWHESA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc(OC)c1 ZINC000826178498 947550535 /nfs/dbraw/zinc/55/05/35/947550535.db2.gz AFPJUHQWNLMQSS-UTCJRWHESA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc(OC)c1O ZINC000826178590 947554092 /nfs/dbraw/zinc/55/40/92/947554092.db2.gz DNTGUHZZPUXIBX-ZZXKWVIFSA-N -1 3 370.340 2.625 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc(OC)c1O ZINC000826178590 947554106 /nfs/dbraw/zinc/55/41/06/947554106.db2.gz DNTGUHZZPUXIBX-ZZXKWVIFSA-N -1 3 370.340 2.625 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC000826190572 947581092 /nfs/dbraw/zinc/58/10/92/947581092.db2.gz GAJFKGPZBWXBSY-KXFIGUGUSA-N -1 3 369.312 2.819 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC000826190572 947581099 /nfs/dbraw/zinc/58/10/99/947581099.db2.gz GAJFKGPZBWXBSY-KXFIGUGUSA-N -1 3 369.312 2.819 20 30 FFEDHM O=C1C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)COc2c(F)ccc(F)c21 ZINC000826475686 948378059 /nfs/dbraw/zinc/37/80/59/948378059.db2.gz NBRLRHJYEYPVJD-WEVVVXLNSA-N -1 3 358.279 2.943 20 30 FFEDHM O=C1C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)COc2c(F)ccc(F)c21 ZINC000826475686 948378066 /nfs/dbraw/zinc/37/80/66/948378066.db2.gz NBRLRHJYEYPVJD-WEVVVXLNSA-N -1 3 358.279 2.943 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001594298583 957888730 /nfs/dbraw/zinc/88/87/30/957888730.db2.gz XOTUGQUDSDEIML-FGTMMUONSA-N -1 3 371.481 2.981 20 30 FFEDHM C#CC(=O)N1CC[C@@]2(CCC[C@@H]2C(=O)Nc2nc3c(cccc3[O-])s2)C1 ZINC001269841287 964346849 /nfs/dbraw/zinc/34/68/49/964346849.db2.gz HBPJDQFDWVQWLA-BLVKFPJESA-N -1 3 369.446 2.592 20 30 FFEDHM Cc1cccc(N2CCN(CCC(=O)Nc3cc(C#N)ccc3[O-])CC2)c1 ZINC000179742360 969051951 /nfs/dbraw/zinc/05/19/51/969051951.db2.gz VOCSSCFACWAXDI-UHFFFAOYSA-N -1 3 364.449 2.723 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C)n1 ZINC000177600249 969279474 /nfs/dbraw/zinc/27/94/74/969279474.db2.gz XOQYMEWOINMXIC-ZDUSSCGKSA-N -1 3 354.410 2.903 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(Cc3ccccc3)c2)c1 ZINC000127083920 972813839 /nfs/dbraw/zinc/81/38/39/972813839.db2.gz NHWNCCZRCSJUKH-LJQANCHMSA-N -1 3 374.400 2.901 20 30 FFEDHM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)c1 ZINC000760197820 980201611 /nfs/dbraw/zinc/20/16/11/980201611.db2.gz NPLDFDFHYYDKHZ-INIZCTEOSA-N -1 3 351.362 2.528 20 30 FFEDHM O=C(c1cn(C2CCOCC2)nn1)N([O-])Cc1cccc2ccccc21 ZINC000904171808 980206961 /nfs/dbraw/zinc/20/69/61/980206961.db2.gz ULPKWUWRMLOWMI-UHFFFAOYSA-N -1 3 352.394 2.814 20 30 FFEDHM C=CCCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001168626469 986392883 /nfs/dbraw/zinc/39/28/83/986392883.db2.gz AXOZRWNZWXAKGJ-UHFFFAOYSA-N -1 3 364.398 2.864 20 30 FFEDHM N#Cc1cccc([C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C(F)(F)F)c1 ZINC000913782610 986910358 /nfs/dbraw/zinc/91/03/58/986910358.db2.gz YSVKHZXKHSFPEO-ZDUSSCGKSA-N -1 3 362.311 2.965 20 30 FFEDHM C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@]3(C)C2)C1 ZINC000992620035 987206516 /nfs/dbraw/zinc/20/65/16/987206516.db2.gz HUIQKLJVYQOPEB-YCRPNKLZSA-N -1 3 354.450 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)c4ccccc4[O-])C[C@@]3(C)C2)C1 ZINC000993396864 989055570 /nfs/dbraw/zinc/05/55/70/989055570.db2.gz HUIQKLJVYQOPEB-VFNWGFHPSA-N -1 3 354.450 2.669 20 30 FFEDHM C=C1CCC(C(=O)N2C[C@@H](CNC(=O)c3ccccc3[O-])[C@H](C)C2)CC1 ZINC000993772220 989415398 /nfs/dbraw/zinc/41/53/98/989415398.db2.gz MLZBFXTYCUMFIS-NVXWUHKLSA-N -1 3 356.466 2.963 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccc(C)cc1 ZINC000917509054 990233936 /nfs/dbraw/zinc/23/39/36/990233936.db2.gz KBHYJXUQYPGGST-INIZCTEOSA-N -1 3 359.389 2.845 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2CC)ccc1F ZINC001129079239 990395283 /nfs/dbraw/zinc/39/52/83/990395283.db2.gz LGFRHJNJQILIDV-ZFWWWQNUSA-N -1 3 368.474 2.846 20 30 FFEDHM Cc1nn(-c2ccccc2)c(C)c1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920384197 990842451 /nfs/dbraw/zinc/84/24/51/990842451.db2.gz WHAJHLCYUDLDLV-UHFFFAOYSA-N -1 3 368.462 2.943 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(N3CCOCC3)cc2)c1[O-] ZINC000920864050 990922594 /nfs/dbraw/zinc/92/25/94/990922594.db2.gz JOPNFNSIOSVTRI-ZDXHCBJDSA-N -1 3 355.438 2.605 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCO3)cc1 ZINC000810533625 994813295 /nfs/dbraw/zinc/81/32/95/994813295.db2.gz RFXBZLWPBOOYRM-DOMZBBRYSA-N -1 3 352.394 2.750 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)cc1 ZINC000747616399 994845088 /nfs/dbraw/zinc/84/50/88/994845088.db2.gz SQILIIJVVRQQAR-AWNIVKPZSA-N -1 3 371.414 2.686 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)NC2(c3ccccc3)CCC2)c1 ZINC000811186433 995051862 /nfs/dbraw/zinc/05/18/62/995051862.db2.gz NNAXSBKLNABPDD-UHFFFAOYSA-N -1 3 350.374 2.616 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(COc3ccc(F)cc3)no2)c1 ZINC000811186573 995052148 /nfs/dbraw/zinc/05/21/48/995052148.db2.gz QUEWJRUFZQAUKY-UHFFFAOYSA-N -1 3 369.308 2.722 20 30 FFEDHM Cc1ccc(CN(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)C2CC2)o1 ZINC000811186857 995052599 /nfs/dbraw/zinc/05/25/99/995052599.db2.gz BIQOIDYHPYQTRU-UHFFFAOYSA-N -1 3 354.362 2.513 20 30 FFEDHM C#C[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccc(Cl)cc1 ZINC000812351753 995411453 /nfs/dbraw/zinc/41/14/53/995411453.db2.gz SXDMBIBSXGZBKL-QGZVFWFLSA-N -1 3 370.836 2.965 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CCc2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000731562255 998008750 /nfs/dbraw/zinc/00/87/50/998008750.db2.gz SMDOJFRHDVJABN-UKWGHVSLSA-N -1 3 372.812 2.953 20 30 FFEDHM CN(CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C(=O)c1cccs1 ZINC000845839504 998671827 /nfs/dbraw/zinc/67/18/27/998671827.db2.gz HVYVGHPAGHGQCA-OAHLLOKOSA-N -1 3 366.442 2.830 20 30 FFEDHM C#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000744179996 999846179 /nfs/dbraw/zinc/84/61/79/999846179.db2.gz RXLNMBAVPOLYHL-CQSZACIVSA-N -1 3 373.430 2.983 20 30 FFEDHM CCOC(=O)C(C)N=Nc1cc(NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001169737912 1000074463 /nfs/dbraw/zinc/07/44/63/1000074463.db2.gz XPIMVDQCSTXDHL-JAIQZWGSSA-N -1 3 373.369 2.658 20 30 FFEDHM N#Cc1cnn2c1[nH]c(COC(=O)c1cc3sccc3c([O-])c1)cc2=O ZINC000786140576 1001536246 /nfs/dbraw/zinc/53/62/46/1001536246.db2.gz RLYCYCYFELZJCK-UHFFFAOYSA-N -1 3 366.358 2.584 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787848045 1001723405 /nfs/dbraw/zinc/72/34/05/1001723405.db2.gz KHIWAPBYBDHENM-ORAYPTAESA-N -1 3 364.417 2.840 20 30 FFEDHM CCOc1ccc(C(=O)Nc2ccc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)cc2)cc1 ZINC001171365575 1001769383 /nfs/dbraw/zinc/76/93/83/1001769383.db2.gz DRGIEKINUZRBQV-UGSOOPFHSA-N -1 3 369.421 2.986 20 30 FFEDHM N#Cc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1F ZINC000791321606 1002653056 /nfs/dbraw/zinc/65/30/56/1002653056.db2.gz LMXDXRBCIMWISF-QGZVFWFLSA-N -1 3 368.364 2.751 20 30 FFEDHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC001184742363 1002710573 /nfs/dbraw/zinc/71/05/73/1002710573.db2.gz USUICPRCMAPVGG-AWEZNQCLSA-N -1 3 358.398 2.606 20 30 FFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC001184742363 1002710575 /nfs/dbraw/zinc/71/05/75/1002710575.db2.gz USUICPRCMAPVGG-AWEZNQCLSA-N -1 3 358.398 2.606 20 30 FFEDHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C#N)nc1Br ZINC001185795652 1003065668 /nfs/dbraw/zinc/06/56/68/1003065668.db2.gz NSKGRLKRJIQSGR-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc3nsnc3c2)c1F ZINC001186271571 1003253633 /nfs/dbraw/zinc/25/36/33/1003253633.db2.gz TVTXKBZDFSRESA-UHFFFAOYSA-N -1 3 370.337 2.781 20 30 FFEDHM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186365700 1003289896 /nfs/dbraw/zinc/28/98/96/1003289896.db2.gz DRVBMECZQCIFKD-NSHDSACASA-N -1 3 366.668 2.858 20 30 FFEDHM CC(C)C[C@H](C#N)NC(=O)c1cc([O-])cc(I)c1 ZINC001196429063 1003775373 /nfs/dbraw/zinc/77/53/73/1003775373.db2.gz VSAXVMFMASSETL-LLVKDONJSA-N -1 3 358.179 2.665 20 30 FFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC001196680167 1003896655 /nfs/dbraw/zinc/89/66/55/1003896655.db2.gz CYJSUMOEZDIFLN-UHFFFAOYSA-N -1 3 370.217 2.765 20 30 FFEDHM CC(C)(C)[C@H]([N-]S(=O)(=O)CC#N)C(O)(c1ccccc1)c1ccccc1 ZINC001193003136 1004340144 /nfs/dbraw/zinc/34/01/44/1004340144.db2.gz ZALLFPRHNWSNRS-SFHVURJKSA-N -1 3 372.490 2.780 20 30 FFEDHM CCOC(=O)c1cc(F)c(Cl)c([N-]S(=O)(=O)CC#N)c1Cl ZINC001192980061 1004347283 /nfs/dbraw/zinc/34/72/83/1004347283.db2.gz BFHKOUIYEKUUSL-UHFFFAOYSA-N -1 3 355.174 2.574 20 30 FFEDHM CCN1CCN(Cc2ccc(NC(=O)c3ccc([O-])c(C#N)c3)cc2)CC1 ZINC001193505700 1004505227 /nfs/dbraw/zinc/50/52/27/1004505227.db2.gz LPOJXMNXKXOSEO-UHFFFAOYSA-N -1 3 364.449 2.654 20 30 FFEDHM Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)[N-]c1ccsc1C#N ZINC001193581419 1004517486 /nfs/dbraw/zinc/51/74/86/1004517486.db2.gz RVXKCCGTFHAQEE-UHFFFAOYSA-N -1 3 365.436 2.558 20 30 FFEDHM C=C1CC(C(=O)N2CC3(C[C@H]3C(=O)Nc3nc4c(cccc4[O-])s3)C2)C1 ZINC001273768102 1004667756 /nfs/dbraw/zinc/66/77/56/1004667756.db2.gz HVKZSMPLTZKYDI-LBPRGKRZSA-N -1 3 369.446 2.755 20 30 FFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C#CBr)cc1 ZINC001194786155 1004808649 /nfs/dbraw/zinc/80/86/49/1004808649.db2.gz CYPAWSJYFQCPFH-UHFFFAOYSA-N -1 3 359.105 2.780 20 30 FFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C#CBr)cc1 ZINC001194786155 1004808653 /nfs/dbraw/zinc/80/86/53/1004808653.db2.gz CYPAWSJYFQCPFH-UHFFFAOYSA-N -1 3 359.105 2.780 20 30 FFEDHM CCCCCCCCCCS(=O)(=O)[N-][C@@H](CS)C(=O)OCC ZINC001201835794 1005277269 /nfs/dbraw/zinc/27/72/69/1005277269.db2.gz DMMRFZQCUQGBDE-AWEZNQCLSA-N -1 3 353.550 2.908 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)NC(=O)c2ccccc2)c(C)c1[O-] ZINC001202456999 1005352256 /nfs/dbraw/zinc/35/22/56/1005352256.db2.gz SIOMHKJIKRLFBW-UHFFFAOYSA-N -1 3 367.361 2.711 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001489879743 1005556107 /nfs/dbraw/zinc/55/61/07/1005556107.db2.gz IYDIHHQQSFENOE-LRDNONRASA-N -1 3 369.469 2.575 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(COC[C@H]3CCCO3)c2)c1[O-] ZINC000852998486 1006270724 /nfs/dbraw/zinc/27/07/24/1006270724.db2.gz MTMKNIDSFLWNQV-AZHVYHFMSA-N -1 3 370.449 2.903 20 30 FFEDHM CCO[C@@H]1C[C@@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000130228329 1006522532 /nfs/dbraw/zinc/52/25/32/1006522532.db2.gz GEBQPOMFJUKIHE-IAGOWNOFSA-N -1 3 358.438 2.687 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)nc1 ZINC000815907546 1006819562 /nfs/dbraw/zinc/81/95/62/1006819562.db2.gz DHJYDHBKVAYAFE-MRXNPFEDSA-N -1 3 365.389 2.782 20 30 FFEDHM C#CCC1(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])CCCCC1 ZINC000854456457 1006841033 /nfs/dbraw/zinc/84/10/33/1006841033.db2.gz UTAOFSJIJOULEO-HUUCEWRRSA-N -1 3 357.454 2.840 20 30 FFEDHM C#C[C@@H](CC)Oc1ccc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000816049033 1006882702 /nfs/dbraw/zinc/88/27/02/1006882702.db2.gz VPLBKWBXZJHKAO-INIZCTEOSA-N -1 3 354.406 2.876 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC001116196354 1032185865 /nfs/dbraw/zinc/18/58/65/1032185865.db2.gz YWXKQSCMANGJPY-UHFFFAOYSA-N -1 3 356.382 2.878 20 30 FFEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000816491206 1007070879 /nfs/dbraw/zinc/07/08/79/1007070879.db2.gz CVFQFPNGSFIYQG-UHFFFAOYSA-N -1 3 360.364 2.730 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1oc2ccccc2c1COc1ccccc1 ZINC000816696560 1007168933 /nfs/dbraw/zinc/16/89/33/1007168933.db2.gz AXLKDTUFHGHECT-MRXNPFEDSA-N -1 3 366.373 2.732 20 30 FFEDHM CCCCCCOc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1OC ZINC000816756499 1007192403 /nfs/dbraw/zinc/19/24/03/1007192403.db2.gz YHAJICBILKCVEB-HNNXBMFYSA-N -1 3 364.442 2.764 20 30 FFEDHM CC(=O)c1ccc(Oc2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)cc1 ZINC000816756666 1007192650 /nfs/dbraw/zinc/19/26/50/1007192650.db2.gz BTDJSGVVQFXHAH-SFHVURJKSA-N -1 3 368.389 2.792 20 30 FFEDHM C=CCOc1ccccc1[C@H](C)[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190208832 1007526389 /nfs/dbraw/zinc/52/63/89/1007526389.db2.gz ONSVRTBPIGGPEA-NSHDSACASA-N -1 3 354.378 2.964 20 30 FFEDHM CC(C)CC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2F)CCOCC1 ZINC001190677653 1007746711 /nfs/dbraw/zinc/74/67/11/1007746711.db2.gz VDDAIJARAUGUSY-UHFFFAOYSA-N -1 3 354.447 2.819 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000820184562 1008301785 /nfs/dbraw/zinc/30/17/85/1008301785.db2.gz BDEHBYUECZEAFK-QGZVFWFLSA-N -1 3 366.373 2.732 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000820476199 1008339185 /nfs/dbraw/zinc/33/91/85/1008339185.db2.gz JOBAUFHFKYLWOG-HNNXBMFYSA-N -1 3 362.332 2.867 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000820476577 1008339327 /nfs/dbraw/zinc/33/93/27/1008339327.db2.gz MYXYYWMKCPWCBI-UMVBOHGHSA-N -1 3 371.462 2.843 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000820477479 1008339724 /nfs/dbraw/zinc/33/97/24/1008339724.db2.gz ZHLZFIGNIDQVQX-HNNXBMFYSA-N -1 3 351.362 2.605 20 30 FFEDHM Cc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1C#N ZINC000859500093 1008532561 /nfs/dbraw/zinc/53/25/61/1008532561.db2.gz XERPOIXOYGLMHL-GOSISDBHSA-N -1 3 364.401 2.920 20 30 FFEDHM N#Cc1ccc(C2(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CCCC2)cc1 ZINC000860956016 1009211063 /nfs/dbraw/zinc/21/10/63/1009211063.db2.gz XYNPOKNMXSYHLI-UHFFFAOYSA-N -1 3 363.343 2.823 20 30 FFEDHM CCOc1ccc(N(CCC#N)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118330602 1009457189 /nfs/dbraw/zinc/45/71/89/1009457189.db2.gz JGGKTAXXLGNFKM-UHFFFAOYSA-N -1 3 362.389 2.882 20 30 FFEDHM N#CCCCC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001274147753 1009458971 /nfs/dbraw/zinc/45/89/71/1009458971.db2.gz XPDZUWQDWRTMFA-BBATYDOGSA-N -1 3 370.434 2.625 20 30 FFEDHM COC(=O)c1cc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c([O-])c(OC)c1 ZINC001179886599 1009490862 /nfs/dbraw/zinc/49/08/62/1009490862.db2.gz NLCBVTUQAHZNSJ-AEJUQJIYSA-N -1 3 358.394 2.846 20 30 FFEDHM O=C(Cc1ccccc1)C(=O)NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001181379880 1010085934 /nfs/dbraw/zinc/08/59/34/1010085934.db2.gz JIFUTBUMLJXOHN-UHFFFAOYSA-N -1 3 366.295 2.649 20 30 FFEDHM C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1cccc(C#N)c1[O-] ZINC000866356933 1010982802 /nfs/dbraw/zinc/98/28/02/1010982802.db2.gz BAYFAWGGZDELQT-LSDHHAIUSA-N -1 3 353.422 2.925 20 30 FFEDHM C#C[C@H](CC)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868538303 1011357841 /nfs/dbraw/zinc/35/78/41/1011357841.db2.gz RUSRGIAEROARKH-QWHCGFSZSA-N -1 3 367.371 2.780 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924082725 1017118098 /nfs/dbraw/zinc/11/80/98/1017118098.db2.gz AWFUONIKCMITFK-SNVBAGLBSA-N -1 3 364.352 2.665 20 30 FFEDHM CS(=O)(=O)NCc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)o1 ZINC000901371161 1019012357 /nfs/dbraw/zinc/01/23/57/1019012357.db2.gz NUFFKJZJJQLEIT-UHFFFAOYSA-N -1 3 374.418 2.514 20 30 FFEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000802039101 1019658274 /nfs/dbraw/zinc/65/82/74/1019658274.db2.gz XBAMLPFMCMRXMT-AWEZNQCLSA-N -1 3 359.393 2.699 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000930152367 1019896554 /nfs/dbraw/zinc/89/65/54/1019896554.db2.gz IIXJOTDVIHHVKP-OAHLLOKOSA-N -1 3 369.425 2.538 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800492780 1020356014 /nfs/dbraw/zinc/35/60/14/1020356014.db2.gz OQXQIJSBMTUGDS-ZDUSSCGKSA-N -1 3 353.357 2.708 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CC2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000750950667 1022733831 /nfs/dbraw/zinc/73/38/31/1022733831.db2.gz YXYBAZKQQLSTNQ-RGVLZGJSSA-N -1 3 363.458 2.654 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(COC3CCOCC3)cc2)c1[O-] ZINC000751524471 1022857226 /nfs/dbraw/zinc/85/72/26/1022857226.db2.gz UUUXUQYTTFVINT-WSDLNYQXSA-N -1 3 370.449 2.903 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C1=O ZINC000751645205 1022887813 /nfs/dbraw/zinc/88/78/13/1022887813.db2.gz QEBZGIKTKSUROT-AWEZNQCLSA-N -1 3 368.374 2.565 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C1=O ZINC000751645205 1022887831 /nfs/dbraw/zinc/88/78/31/1022887831.db2.gz QEBZGIKTKSUROT-AWEZNQCLSA-N -1 3 368.374 2.565 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(CSC)CC1 ZINC001122483568 1023297535 /nfs/dbraw/zinc/29/75/35/1023297535.db2.gz XWSSSVJWOUODBU-UHFFFAOYSA-N -1 3 374.514 2.905 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 ZINC001121545395 1023840037 /nfs/dbraw/zinc/84/00/37/1023840037.db2.gz CVLHGVIPFCJPPH-AWEZNQCLSA-N -1 3 367.409 2.827 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001121546702 1023840617 /nfs/dbraw/zinc/84/06/17/1023840617.db2.gz USBGVLQJCDMBHA-LJQANCHMSA-N -1 3 367.409 2.577 20 30 FFEDHM CN(c1nnc(-c2sc3ncccc3c2[O-])n1C)[C@H]1CCC[C@@H]1C#N ZINC001121557143 1023847723 /nfs/dbraw/zinc/84/77/23/1023847723.db2.gz MJCZSEOXANCCEO-PWSUYJOCSA-N -1 3 354.439 2.926 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCSCC1 ZINC001121573175 1023856421 /nfs/dbraw/zinc/85/64/21/1023856421.db2.gz YPOIEVOEUWEWPA-UHFFFAOYSA-N -1 3 359.480 3.000 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1C ZINC000193471104 1024534956 /nfs/dbraw/zinc/53/49/56/1024534956.db2.gz LSKLTVUQDVNOHE-ZDUSSCGKSA-N -1 3 354.410 2.916 20 30 FFEDHM CC[C@](C/N=C/c1c([O-])c(C)ncc1CO)(C(=O)OC)c1ccccc1 ZINC000840711695 1027224425 /nfs/dbraw/zinc/22/44/25/1027224425.db2.gz BOAWJSOYEATQCN-YUSOBQLHSA-N -1 3 356.422 2.528 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001159331366 1027355531 /nfs/dbraw/zinc/35/55/31/1027355531.db2.gz FPUDUYKVVACXDH-ZDUSSCGKSA-N -1 3 357.237 2.912 20 30 FFEDHM O=C(c1scnc1C1CC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802272 1028317211 /nfs/dbraw/zinc/31/72/11/1028317211.db2.gz PFJQYZLQOSNWCJ-UHFFFAOYSA-N -1 3 371.418 2.538 20 30 FFEDHM O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N([O-])CCCCc1ccccc1 ZINC001161807640 1028321968 /nfs/dbraw/zinc/32/19/68/1028321968.db2.gz LXXCRBWYHOOOSA-QGZVFWFLSA-N -1 3 356.422 2.869 20 30 FFEDHM Cn1cc(-n2cc(C(=O)N([O-])Cc3cccc4ccccc43)ccc2=O)cn1 ZINC001161842652 1028331664 /nfs/dbraw/zinc/33/16/64/1028331664.db2.gz LCBZJEVYBRLZGV-UHFFFAOYSA-N -1 3 374.400 2.756 20 30 FFEDHM COc1cnccc1[C@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C1CC1 ZINC001154560294 1028353929 /nfs/dbraw/zinc/35/39/29/1028353929.db2.gz IIBNKQHQDYJQRE-HXUWFJFHSA-N -1 3 374.400 2.684 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCCCOc3cccc(F)c3)cc(=O)c2c1 ZINC001154560511 1028354266 /nfs/dbraw/zinc/35/42/66/1028354266.db2.gz LRWHYFNWGVVURQ-UHFFFAOYSA-N -1 3 365.364 2.738 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NC3(Cc4ccc(O)cc4)CC3)cc(=O)c2c1 ZINC001154561171 1028357506 /nfs/dbraw/zinc/35/75/06/1028357506.db2.gz WQYQAGBDWVVRAW-UHFFFAOYSA-N -1 3 359.385 2.610 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@H]2CCc3[nH]c(=O)ccc3C2)n1 ZINC001155764780 1028901160 /nfs/dbraw/zinc/90/11/60/1028901160.db2.gz WBFYXTWPKKJLGR-AYNSVGMASA-N -1 3 365.846 2.730 20 30 FFEDHM Cc1cc(C(N)=O)cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001155914155 1028973378 /nfs/dbraw/zinc/97/33/78/1028973378.db2.gz HEXRMLDSOPOQCP-UHFFFAOYSA-N -1 3 354.288 2.635 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C2CCC(Oc3ncccc3C#N)CC2)c1[O-] ZINC000782194153 1029606097 /nfs/dbraw/zinc/60/60/97/1029606097.db2.gz GWVPSFCURKOKHR-BHGWPJFGSA-N -1 3 366.421 2.664 20 30 FFEDHM CC(C)c1cccc2c1NC(=O)C2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000841627868 1030376605 /nfs/dbraw/zinc/37/66/05/1030376605.db2.gz FJBYSHPAKYUGKV-UHFFFAOYSA-N -1 3 371.462 2.628 20 30 FFEDHM C=CCNC(=O)C(C#N)=C([O-])c1cccc(CN(C)Cc2ccccc2)c1 ZINC000784831640 1030836290 /nfs/dbraw/zinc/83/62/90/1030836290.db2.gz NYAWCEMFRBSMSZ-FQEVSTJZSA-N -1 3 361.445 2.943 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(Br)cc2n[nH]cc21 ZINC001151886908 1032055123 /nfs/dbraw/zinc/05/51/23/1032055123.db2.gz UAPIKPWTSQRSOU-UHFFFAOYSA-N -1 3 374.198 2.765 20 30 FFEDHM O=C(c1cccnc1Cl)N1CCC(O/C(=N\[O-])c2ccccn2)CC1 ZINC001223978442 1033669647 /nfs/dbraw/zinc/66/96/47/1033669647.db2.gz SHMRKZAIQDOZHP-PGMHBOJBSA-N -1 3 360.801 2.587 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(COC)nc(=S)[n-]1 ZINC001225936191 1034459506 /nfs/dbraw/zinc/45/95/06/1034459506.db2.gz XFCHIMUWAUYRDP-CYBMUJFWSA-N -1 3 367.471 2.856 20 30 FFEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001277097639 1034516999 /nfs/dbraw/zinc/51/69/99/1034516999.db2.gz JKACORBZBDRULO-IBGZPJMESA-N -1 3 363.408 2.931 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nccc(/C=N/[O-])n2)C(C)(C)C1 ZINC001226254985 1034595573 /nfs/dbraw/zinc/59/55/73/1034595573.db2.gz GCRUNMHPSWSIDI-BUESGFEBSA-N -1 3 350.419 2.699 20 30 FFEDHM N#CCCCN1CCC2(CCN(Cc3c(F)ccc([O-])c3F)CC2)C1=O ZINC001277131066 1034705028 /nfs/dbraw/zinc/70/50/28/1034705028.db2.gz USZQBRGYEHNKLI-UHFFFAOYSA-N -1 3 363.408 2.789 20 30 FFEDHM CC(=O)c1ccc([O-])c(OC2CCN(c3ncccc3C#N)CC2)c1O ZINC001226482513 1034708451 /nfs/dbraw/zinc/70/84/51/1034708451.db2.gz OWIGBAWRSDPKRD-UHFFFAOYSA-N -1 3 353.378 2.615 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC2(CCC2)O1 ZINC000832344483 1034739675 /nfs/dbraw/zinc/73/96/75/1034739675.db2.gz BRXMMQIDZWIBEU-HNNXBMFYSA-N -1 3 357.454 2.816 20 30 FFEDHM O=c1[nH]c2nc(O[C@@H]3Cc4ccccc4C#Cc4ccccc43)nc-2c([O-])[nH]1 ZINC001227431594 1035552493 /nfs/dbraw/zinc/55/24/93/1035552493.db2.gz WRDPEDFXOVLDKC-MRXNPFEDSA-N -1 3 370.368 2.840 20 30 FFEDHM CC1=C(Oc2[n-]c(=O)nc3cc(Br)ccc32)C(=O)[C@H](C)O1 ZINC001228069345 1035912857 /nfs/dbraw/zinc/91/28/57/1035912857.db2.gz YQODCWRGHVEKDG-LURJTMIESA-N -1 3 351.156 2.696 20 30 FFEDHM N#Cc1ccc([O-])c(CN2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001232681551 1035939169 /nfs/dbraw/zinc/93/91/69/1035939169.db2.gz QKBCSDZOLRXREI-OAHLLOKOSA-N -1 3 351.381 2.633 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2[n-]c(=O)nc3ccc(Cl)cc32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228912906 1036400933 /nfs/dbraw/zinc/40/09/33/1036400933.db2.gz NAKIFKYBDQVHNF-PWNZVWSESA-N -1 3 364.785 2.799 20 30 FFEDHM Cn1c2ccccc2n(C2CCN(Cc3ccc(C#N)cc3[O-])CC2)c1=O ZINC001233386468 1036588747 /nfs/dbraw/zinc/58/87/47/1036588747.db2.gz VFXAOSPWMYJQCY-UHFFFAOYSA-N -1 3 362.433 2.754 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN(Cc2c(F)ccc([O-])c2F)[C@@H](C#N)C1 ZINC001233393869 1036593270 /nfs/dbraw/zinc/59/32/70/1036593270.db2.gz PMHAONZZAJXTPT-NSHDSACASA-N -1 3 353.369 2.615 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001233799132 1036770178 /nfs/dbraw/zinc/77/01/78/1036770178.db2.gz GCVZGLCMYBAFED-OTGIAGGSSA-N -1 3 364.398 2.808 20 30 FFEDHM C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(OC)c(C(=O)[O-])c1)C2 ZINC001231753587 1037880761 /nfs/dbraw/zinc/88/07/61/1037880761.db2.gz YAVWOMPGYBDBOP-JXFKEZNVSA-N -1 3 361.438 2.720 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)cc1OC ZINC001257117476 1038715503 /nfs/dbraw/zinc/71/55/03/1038715503.db2.gz FQEYBOLVCACDKE-UHFFFAOYSA-N -1 3 350.371 2.710 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nnc(-c2ccc(C#N)cc2)o1 ZINC001257872057 1039031726 /nfs/dbraw/zinc/03/17/26/1039031726.db2.gz COEGVFODRKJRAY-JTQLQIEISA-N -1 3 360.420 2.709 20 30 FFEDHM N#Cc1cc(C(=O)N2CC[C@H]3CN(CCCC(F)(F)F)C[C@H]32)ccc1[O-] ZINC001279056743 1039047884 /nfs/dbraw/zinc/04/78/84/1039047884.db2.gz KSHBQUCBBSMFLV-DZGCQCFKSA-N -1 3 367.371 2.753 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OC ZINC001251383792 1039103248 /nfs/dbraw/zinc/10/32/48/1039103248.db2.gz HOUYBMQGRBZMFE-CYBMUJFWSA-N -1 3 352.239 2.780 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)cc1 ZINC001251834772 1039317657 /nfs/dbraw/zinc/31/76/57/1039317657.db2.gz PLVUTHANXSSHRF-UHFFFAOYSA-N -1 3 351.334 2.596 20 30 FFEDHM Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2sccc2C(=O)[O-])cc1C#N ZINC001278456015 1039403244 /nfs/dbraw/zinc/40/32/44/1039403244.db2.gz YIDFPBBTVNAVRC-GASCZTMLSA-N -1 3 370.478 2.505 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1N1CCCC1 ZINC001259356646 1039934913 /nfs/dbraw/zinc/93/49/13/1039934913.db2.gz OWNHKQXQPPFHRX-UHFFFAOYSA-N -1 3 369.446 2.894 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cnc3cc(C4CCC4)nn3c2)cc1 ZINC001260038933 1040369986 /nfs/dbraw/zinc/36/99/86/1040369986.db2.gz GJMDNTGHIOIVTJ-UHFFFAOYSA-N -1 3 367.434 2.810 20 30 FFEDHM CC(C)c1cnn2cc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cnc12 ZINC001260039296 1040370244 /nfs/dbraw/zinc/37/02/44/1040370244.db2.gz WZTRKCMKNKSVFM-UHFFFAOYSA-N -1 3 355.423 2.666 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)o1 ZINC001260380476 1040565936 /nfs/dbraw/zinc/56/59/36/1040565936.db2.gz LPNNGRWJERLEQX-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1Br ZINC001261029668 1040947430 /nfs/dbraw/zinc/94/74/30/1040947430.db2.gz LBKMPTQNYOQMRX-UHFFFAOYSA-N -1 3 373.207 2.601 20 30 FFEDHM N#Cc1cc(CS(=O)(=O)[N-]CC(=O)c2cccc(F)c2Cl)cs1 ZINC001309739751 1043503296 /nfs/dbraw/zinc/50/32/96/1043503296.db2.gz SFUWPCSNLFWPGV-UHFFFAOYSA-N -1 3 372.830 2.715 20 30 FFEDHM C=CCOC(=O)N1CCC2(CN(Cc3ccc(C(=O)[O-])cc3C)C2)CC1 ZINC001238135891 1043562131 /nfs/dbraw/zinc/56/21/31/1043562131.db2.gz ZDIQITHHLGXJPG-UHFFFAOYSA-N -1 3 358.438 2.914 20 30 FFEDHM Cc1nc(S(=O)(=O)[N-]Cc2ccnc(C#N)c2)c(-c2ccccc2)s1 ZINC001309958523 1043609713 /nfs/dbraw/zinc/60/97/13/1043609713.db2.gz YAOMHACIWXZNSS-UHFFFAOYSA-N -1 3 370.459 2.864 20 30 FFEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC001310108632 1043637151 /nfs/dbraw/zinc/63/71/51/1043637151.db2.gz UANQAOPOCUMIMR-ROUUACIJSA-N -1 3 364.405 2.844 20 30 FFEDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1cc(Cl)ccc1OCC#N ZINC001318895186 1044928052 /nfs/dbraw/zinc/92/80/52/1044928052.db2.gz CJCRLYMRJVMDME-UHFFFAOYSA-N -1 3 361.785 2.722 20 30 FFEDHM C=CCCCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC001539485733 1070646880 /nfs/dbraw/zinc/64/68/80/1070646880.db2.gz RKNBKLZAFWTHCU-UHFFFAOYSA-N -1 3 354.447 2.718 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001324711319 1046181245 /nfs/dbraw/zinc/18/12/45/1046181245.db2.gz SMZFVDQNDBKETB-NSHDSACASA-N -1 3 369.259 2.632 20 30 FFEDHM CCc1ccc([C@@H](CNC(=O)c2[n-]c(=O)c(C#N)cc2C)N(C)C)cc1 ZINC001540529144 1070917443 /nfs/dbraw/zinc/91/74/43/1070917443.db2.gz KDMCKSNMORKKAZ-QGZVFWFLSA-N -1 3 352.438 2.562 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1nc2c(cc1C#N)CCC2 ZINC001332159625 1048274413 /nfs/dbraw/zinc/27/44/13/1048274413.db2.gz BTDVIADNRCVYCZ-UHFFFAOYSA-N -1 3 360.414 2.565 20 30 FFEDHM CC#CC[C@H](NCc1cc(OC)ccc1OCc1ccccn1)C(=O)[O-] ZINC001334070738 1049230803 /nfs/dbraw/zinc/23/08/03/1049230803.db2.gz VSEKATGKRZVHJO-SFHVURJKSA-N -1 3 354.406 2.625 20 30 FFEDHM COc1cccc2c1OCCC[C@@H]2/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001330829823 1049350360 /nfs/dbraw/zinc/35/03/60/1049350360.db2.gz LRNRCXYPAMISDS-AWEZNQCLSA-N -1 3 358.419 2.648 20 30 FFEDHM N#CC(=C([O-])c1ccc(O[C@H]2CCOC2)cc1)c1nc(N)c2ccccc2n1 ZINC001341803555 1050416548 /nfs/dbraw/zinc/41/65/48/1050416548.db2.gz AIIWNLYUKGVYGK-RDJZCZTQSA-N -1 3 374.400 2.870 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001298541124 1050470743 /nfs/dbraw/zinc/47/07/43/1050470743.db2.gz CRWXRLBNJIIERM-OAHLLOKOSA-N -1 3 361.785 2.637 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001342088743 1050684213 /nfs/dbraw/zinc/68/42/13/1050684213.db2.gz RCVPLYJDGARIBE-HUUCEWRRSA-N -1 3 373.457 2.858 20 30 FFEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CC(F)(F)F ZINC001342302569 1050897223 /nfs/dbraw/zinc/89/72/23/1050897223.db2.gz GRVQYJABAZYOAJ-UHFFFAOYSA-N -1 3 368.363 2.893 20 30 FFEDHM CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001340799305 1051145213 /nfs/dbraw/zinc/14/52/13/1051145213.db2.gz GIGUJJQZVWPMOU-JTQLQIEISA-N -1 3 356.821 2.806 20 30 FFEDHM CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001340799305 1051145215 /nfs/dbraw/zinc/14/52/15/1051145215.db2.gz GIGUJJQZVWPMOU-JTQLQIEISA-N -1 3 356.821 2.806 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001303520843 1051372722 /nfs/dbraw/zinc/37/27/22/1051372722.db2.gz LSLIHRBSUANHRM-UHFFFAOYSA-N -1 3 366.421 2.797 20 30 FFEDHM O=C(CNC(=O)c1cc(Cl)ccn1)N([O-])Cc1ccccc1Cl ZINC001306892327 1052213253 /nfs/dbraw/zinc/21/32/53/1052213253.db2.gz CZTIOAKUGLWQMI-UHFFFAOYSA-N -1 3 354.193 2.536 20 30 FFEDHM COc1cc(C)sc1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892748 1052213316 /nfs/dbraw/zinc/21/33/16/1052213316.db2.gz MCACPKVNOPKBHW-UHFFFAOYSA-N -1 3 374.418 2.583 20 30 FFEDHM CNC(=O)c1cccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC001306893212 1052213410 /nfs/dbraw/zinc/21/34/10/1052213410.db2.gz LGYGFARTTVTOQD-UHFFFAOYSA-N -1 3 354.193 2.780 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001306896795 1052215443 /nfs/dbraw/zinc/21/54/43/1052215443.db2.gz MGFWTAAKGUTDFP-KUHUBIRLSA-N -1 3 367.490 2.921 20 30 FFEDHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2ccc(C#N)c(OC)c2)[n-]1 ZINC001308844710 1052506743 /nfs/dbraw/zinc/50/67/43/1052506743.db2.gz OCWHQQQVPPAGBA-OAHLLOKOSA-N -1 3 371.441 2.739 20 30 FFEDHM C#CCCCCCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001346202647 1052787514 /nfs/dbraw/zinc/78/75/14/1052787514.db2.gz UROVWGRDNPXVSV-IAGOWNOFSA-N -1 3 356.466 2.800 20 30 FFEDHM N#CC(=C([O-])c1cnc(OC2CCOCC2)c(Cl)c1)c1ccncn1 ZINC001348030546 1054575753 /nfs/dbraw/zinc/57/57/53/1054575753.db2.gz WYDHGYGTHLBLBX-CYBMUJFWSA-N -1 3 358.785 2.573 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001351723089 1054969644 /nfs/dbraw/zinc/96/96/44/1054969644.db2.gz LZMCQHUFZMCYON-HNNXBMFYSA-N -1 3 370.457 2.555 20 30 FFEDHM C=CCO[C@H]1CCN(c2nnc(CCc3cccc(Cl)c3[O-])n2C)C1 ZINC001350329374 1055727197 /nfs/dbraw/zinc/72/71/97/1055727197.db2.gz IURRJHDCSQDKOX-AWEZNQCLSA-N -1 3 362.861 2.741 20 30 FFEDHM Cc1cc(Br)cc(C)c1NC(=S)N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001200234046 1056109629 /nfs/dbraw/zinc/10/96/29/1056109629.db2.gz TULVSNDPWCUQAU-CABZTGNLSA-N -1 3 372.288 2.588 20 30 FFEDHM C=CCO[C@@H]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001351383913 1056235847 /nfs/dbraw/zinc/23/58/47/1056235847.db2.gz RJMWJIKDUISCPO-LLVKDONJSA-N -1 3 357.439 2.579 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)N[C@H]3CCCN([O-])C3=O)c3ccccc3n2)o1 ZINC000848137348 1059111058 /nfs/dbraw/zinc/11/10/58/1059111058.db2.gz DRQMYWXNLPEBKD-INIZCTEOSA-N -1 3 365.389 2.913 20 30 FFEDHM O=C(CCOc1ccccc1-c1ccccc1)N[C@H]1CCCN([O-])C1=O ZINC000848137270 1059111658 /nfs/dbraw/zinc/11/16/58/1059111658.db2.gz BXKQVGMSPBNRJR-KRWDZBQOSA-N -1 3 354.406 2.619 20 30 FFEDHM C=CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ncn(C(C)C)n1 ZINC001452763261 1059293923 /nfs/dbraw/zinc/29/39/23/1059293923.db2.gz KDCHMVQEPVPEBF-UHFFFAOYSA-N -1 3 352.398 2.862 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)C[C@@H]1CCOC1 ZINC001520198393 1059475818 /nfs/dbraw/zinc/47/58/18/1059475818.db2.gz VZFVXQUMWJEJHV-LBPRGKRZSA-N -1 3 371.466 2.919 20 30 FFEDHM N#CCSc1cccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC001454297644 1059492612 /nfs/dbraw/zinc/49/26/12/1059492612.db2.gz PTABOWXLYZAIEZ-UHFFFAOYSA-N -1 3 354.435 2.995 20 30 FFEDHM C=C(C[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F)c1ccccc1 ZINC001475364254 1061063804 /nfs/dbraw/zinc/06/38/04/1061063804.db2.gz NNFXXIKXQIYDJZ-UHFFFAOYSA-N -1 3 363.410 2.994 20 30 FFEDHM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[N-]c2cc(C#N)ccc2F)o1 ZINC001460785127 1061102546 /nfs/dbraw/zinc/10/25/46/1061102546.db2.gz BUTILBJRMXFWES-UHFFFAOYSA-N -1 3 365.386 2.619 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CCC1Cc2ccccc2C1)C(=O)OCC ZINC001475629095 1061173672 /nfs/dbraw/zinc/17/36/72/1061173672.db2.gz KNKDAXXGYJJUAC-SFHVURJKSA-N -1 3 365.495 2.609 20 30 FFEDHM C[C@H](Oc1cccnc1NC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC001476450310 1061415081 /nfs/dbraw/zinc/41/50/81/1061415081.db2.gz QDKLLOFHNHYPMI-DZGCQCFKSA-N -1 3 370.409 2.723 20 30 FFEDHM N#CCn1c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc2ccccc21 ZINC001528506304 1061939649 /nfs/dbraw/zinc/93/96/49/1061939649.db2.gz LWROXUHDLHJIDI-UHFFFAOYSA-N -1 3 361.340 2.736 20 30 FFEDHM N#CCn1c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc2ccccc21 ZINC001528506304 1061939668 /nfs/dbraw/zinc/93/96/68/1061939668.db2.gz LWROXUHDLHJIDI-UHFFFAOYSA-N -1 3 361.340 2.736 20 30 FFEDHM Cn1ccnc1C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC001464132795 1062440724 /nfs/dbraw/zinc/44/07/24/1062440724.db2.gz AXODDIVJFIVVMW-AWEZNQCLSA-N -1 3 372.475 2.616 20 30 FFEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)cc1C#N ZINC001530182102 1062508408 /nfs/dbraw/zinc/50/84/08/1062508408.db2.gz KKITUAJWTJRHJB-UHFFFAOYSA-N -1 3 368.368 2.866 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1cccc(OC)c1 ZINC001524129792 1062730962 /nfs/dbraw/zinc/73/09/62/1062730962.db2.gz YFLCBPXACVMORI-UHFFFAOYSA-N -1 3 366.425 2.662 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC001440972554 1063381752 /nfs/dbraw/zinc/38/17/52/1063381752.db2.gz YKRQOYUSPSVCSR-ZDUSSCGKSA-N -1 3 357.435 2.747 20 30 FFEDHM COc1ccc(/C=C(\C(=O)N[C@H]2CCCN([O-])C2=O)c2cccs2)cc1 ZINC001468452963 1063988729 /nfs/dbraw/zinc/98/87/29/1063988729.db2.gz LUMDVZDCSVUTSY-IRVMHKCDSA-N -1 3 372.446 2.794 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001575190368 1078115404 /nfs/dbraw/zinc/11/54/04/1078115404.db2.gz SBCHPBQNQKQUNT-GFCCVEGCSA-N -1 3 365.368 2.799 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001575190368 1078115406 /nfs/dbraw/zinc/11/54/06/1078115406.db2.gz SBCHPBQNQKQUNT-GFCCVEGCSA-N -1 3 365.368 2.799 20 30 FFEDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N([O-])CCCCc1ccccc1 ZINC001472620305 1065113203 /nfs/dbraw/zinc/11/32/03/1065113203.db2.gz XCAFZGOCWAFCQN-QZTJIDSGSA-N -1 3 372.465 2.792 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)nc1SCc1cncc(-c2nnn[n-]2)c1 ZINC001581869233 1079010114 /nfs/dbraw/zinc/01/01/14/1079010114.db2.gz NYNQDBMEXIRCNU-UHFFFAOYSA-N -1 3 363.328 2.839 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)nc1SCc1cncc(-c2nn[n-]n2)c1 ZINC001581869233 1079010118 /nfs/dbraw/zinc/01/01/18/1079010118.db2.gz NYNQDBMEXIRCNU-UHFFFAOYSA-N -1 3 363.328 2.839 20 30 FFEDHM N#Cc1cc(CNc2ccc(-c3nnn[n-]3)c(Br)c2F)ccn1 ZINC001581866702 1079011369 /nfs/dbraw/zinc/01/13/69/1079011369.db2.gz QSVHJRSPPNQVOK-UHFFFAOYSA-N -1 3 374.177 2.647 20 30 FFEDHM N#Cc1cc(CNc2ccc(-c3nn[n-]n3)c(Br)c2F)ccn1 ZINC001581866702 1079011373 /nfs/dbraw/zinc/01/13/73/1079011373.db2.gz QSVHJRSPPNQVOK-UHFFFAOYSA-N -1 3 374.177 2.647 20 30 FFEDHM Cn1nccc1[C@@H]1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CC(=O)N1C1CC1 ZINC001548533199 1073434479 /nfs/dbraw/zinc/43/44/79/1073434479.db2.gz OCZUEBVVRGCDIW-RMLOLFPCSA-N -1 3 358.829 2.703 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2ccc(Br)cc2c1 ZINC001556782460 1075775634 /nfs/dbraw/zinc/77/56/34/1075775634.db2.gz IQXUASXGXLDULE-CQSZACIVSA-N -1 3 363.211 2.712 20 30 FFEDHM C[C@H]1CC(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C[C@H](C)C1 ZINC001559033139 1076117945 /nfs/dbraw/zinc/11/79/45/1076117945.db2.gz XERRMIWWHVUBQK-ZIAGYGMSSA-N -1 3 358.438 2.963 20 30 FFEDHM COCCCn1c(=O)[n-]nc1SCC[C@](C#N)(C(C)=O)c1ccccc1 ZINC001559352600 1076151914 /nfs/dbraw/zinc/15/19/14/1076151914.db2.gz UQRTYAYEKASGGR-SFHVURJKSA-N -1 3 374.466 2.553 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3OC[C@H]2F)c(Cl)c1 ZINC001561913566 1076443980 /nfs/dbraw/zinc/44/39/80/1076443980.db2.gz YZXCDQAIUDYPSY-CJNGLKHVSA-N -1 3 366.801 2.962 20 30 FFEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001573246338 1077632456 /nfs/dbraw/zinc/63/24/56/1077632456.db2.gz IRCTWRCTZREQGX-HLLBOEOZSA-N -1 3 357.454 2.689 20 30 FFEDHM C=CCCCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC001585918896 1079514128 /nfs/dbraw/zinc/51/41/28/1079514128.db2.gz WSKYEFRXMKQQBM-UHFFFAOYSA-N -1 3 356.463 2.941 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2nnc(-c3ccccc3OC)s2)nn1 ZINC001587963106 1079901033 /nfs/dbraw/zinc/90/10/33/1079901033.db2.gz LJPUFZYDSOLOEU-UHFFFAOYSA-N -1 3 356.411 2.634 20 30 FFEDHM C#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001588328271 1079984186 /nfs/dbraw/zinc/98/41/86/1079984186.db2.gz CQLSWIAWGAFVEY-GFCCVEGCSA-N -1 3 361.789 2.825 20 30 FFEDHM C#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001588328271 1079984190 /nfs/dbraw/zinc/98/41/90/1079984190.db2.gz CQLSWIAWGAFVEY-GFCCVEGCSA-N -1 3 361.789 2.825 20 30 FFEDHM C#C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Br)c1ccccc1 ZINC001588329015 1079985227 /nfs/dbraw/zinc/98/52/27/1079985227.db2.gz VZGABFAKVAIUOL-CYBMUJFWSA-N -1 3 355.199 2.811 20 30 FFEDHM C#C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC001588329015 1079985232 /nfs/dbraw/zinc/98/52/32/1079985232.db2.gz VZGABFAKVAIUOL-CYBMUJFWSA-N -1 3 355.199 2.811 20 30 FFEDHM C#CCCCCC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588341981 1079990669 /nfs/dbraw/zinc/99/06/69/1079990669.db2.gz CZAPJZBEAKFOGY-HDJSIYSDSA-N -1 3 370.432 2.506 20 30 FFEDHM C#CCCCCC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588341981 1079990675 /nfs/dbraw/zinc/99/06/75/1079990675.db2.gz CZAPJZBEAKFOGY-HDJSIYSDSA-N -1 3 370.432 2.506 20 30 FFEDHM C#CCSc1ccc(COC(=O)c2ncc(-c3nnn[n-]3)cc2C)cc1 ZINC001588364220 1079993915 /nfs/dbraw/zinc/99/39/15/1079993915.db2.gz ZZPRJRUENXSAFC-UHFFFAOYSA-N -1 3 365.418 2.652 20 30 FFEDHM C#CCSc1ccc(COC(=O)c2ncc(-c3nn[n-]n3)cc2C)cc1 ZINC001588364220 1079993919 /nfs/dbraw/zinc/99/39/19/1079993919.db2.gz ZZPRJRUENXSAFC-UHFFFAOYSA-N -1 3 365.418 2.652 20 30 FFEDHM C#Cc1ccc(CNC(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001588374015 1079996512 /nfs/dbraw/zinc/99/65/12/1079996512.db2.gz YJMBEBZTEATIOP-LJQANCHMSA-N -1 3 372.432 2.725 20 30 FFEDHM C#Cc1ccc(CNC(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001588374015 1079996528 /nfs/dbraw/zinc/99/65/28/1079996528.db2.gz YJMBEBZTEATIOP-LJQANCHMSA-N -1 3 372.432 2.725 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001588392685 1080004888 /nfs/dbraw/zinc/00/48/88/1080004888.db2.gz GASJPECOFOJRBQ-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001588392685 1080004894 /nfs/dbraw/zinc/00/48/94/1080004894.db2.gz GASJPECOFOJRBQ-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C(C)(C)C1 ZINC001588410184 1080013028 /nfs/dbraw/zinc/01/30/28/1080013028.db2.gz NEDDIFOBUXIKFK-HNNXBMFYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C(C)(C)C1 ZINC001588410184 1080013036 /nfs/dbraw/zinc/01/30/36/1080013036.db2.gz NEDDIFOBUXIKFK-HNNXBMFYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)C[C@H](Nc1ncc(-c2nnn[n-]2)c2ccsc21)C(=O)OCC ZINC001588409883 1080014536 /nfs/dbraw/zinc/01/45/36/1080014536.db2.gz IQKWTLBYWAAGDI-LBPRGKRZSA-N -1 3 358.427 2.786 20 30 FFEDHM C=C(C)C[C@H](Nc1ncc(-c2nn[n-]n2)c2ccsc21)C(=O)OCC ZINC001588409883 1080014543 /nfs/dbraw/zinc/01/45/43/1080014543.db2.gz IQKWTLBYWAAGDI-LBPRGKRZSA-N -1 3 358.427 2.786 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588412066 1080014944 /nfs/dbraw/zinc/01/49/44/1080014944.db2.gz QTNXTKHYPJBLRJ-LSDHHAIUSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588412066 1080014955 /nfs/dbraw/zinc/01/49/55/1080014955.db2.gz QTNXTKHYPJBLRJ-LSDHHAIUSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588426355 1080023075 /nfs/dbraw/zinc/02/30/75/1080023075.db2.gz UWCDHQVVIPTECI-UHFFFAOYSA-N -1 3 374.426 2.624 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588426355 1080023081 /nfs/dbraw/zinc/02/30/81/1080023081.db2.gz UWCDHQVVIPTECI-UHFFFAOYSA-N -1 3 374.426 2.624 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588456384 1080032548 /nfs/dbraw/zinc/03/25/48/1080032548.db2.gz MLZICYCZQJTEAZ-BETUJISGSA-N -1 3 358.833 2.913 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588456384 1080032558 /nfs/dbraw/zinc/03/25/58/1080032558.db2.gz MLZICYCZQJTEAZ-BETUJISGSA-N -1 3 358.833 2.913 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)CCCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588454958 1080033350 /nfs/dbraw/zinc/03/33/50/1080033350.db2.gz LWYMEWKGOAMIFQ-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)CCCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588454958 1080033359 /nfs/dbraw/zinc/03/33/59/1080033359.db2.gz LWYMEWKGOAMIFQ-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCOc1ccc(CN([C@@H]2CCN(CC(=O)[O-])C2=O)C(C)(C)C)cc1 ZINC001588466446 1080038681 /nfs/dbraw/zinc/03/86/81/1080038681.db2.gz QHNRGRQTPYRAHZ-QGZVFWFLSA-N -1 3 360.454 2.537 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1CC ZINC001588478094 1080045052 /nfs/dbraw/zinc/04/50/52/1080045052.db2.gz UEDDNXXFJRYTAF-UONOGXRCSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1CC ZINC001588478094 1080045061 /nfs/dbraw/zinc/04/50/61/1080045061.db2.gz UEDDNXXFJRYTAF-UONOGXRCSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)OCc1ccc(Br)cc1-c1nnn[n-]1 ZINC001588482462 1080045839 /nfs/dbraw/zinc/04/58/39/1080045839.db2.gz WZAQNLZTODBLTB-UHFFFAOYSA-N -1 3 351.204 2.885 20 30 FFEDHM C=CC(C)(C)C(=O)OCc1ccc(Br)cc1-c1nn[n-]n1 ZINC001588482462 1080045850 /nfs/dbraw/zinc/04/58/50/1080045850.db2.gz WZAQNLZTODBLTB-UHFFFAOYSA-N -1 3 351.204 2.885 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588500508 1080061052 /nfs/dbraw/zinc/06/10/52/1080061052.db2.gz YXWYHPNRWGPFRW-SFHVURJKSA-N -1 3 359.430 2.821 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588500508 1080061057 /nfs/dbraw/zinc/06/10/57/1080061057.db2.gz YXWYHPNRWGPFRW-SFHVURJKSA-N -1 3 359.430 2.821 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588522024 1080074641 /nfs/dbraw/zinc/07/46/41/1080074641.db2.gz YPQQVFKGFCTSON-CQSZACIVSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588532360 1080082210 /nfs/dbraw/zinc/08/22/10/1080082210.db2.gz SYJJSMHOEKFFOT-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588532360 1080082220 /nfs/dbraw/zinc/08/22/20/1080082220.db2.gz SYJJSMHOEKFFOT-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001588553394 1080093525 /nfs/dbraw/zinc/09/35/25/1080093525.db2.gz MZWCQTDAQVTNTB-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001588553394 1080093531 /nfs/dbraw/zinc/09/35/31/1080093531.db2.gz MZWCQTDAQVTNTB-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001588556766 1080094148 /nfs/dbraw/zinc/09/41/48/1080094148.db2.gz RWNXHKNAMGIPHS-AWEZNQCLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001588556766 1080094158 /nfs/dbraw/zinc/09/41/58/1080094158.db2.gz RWNXHKNAMGIPHS-AWEZNQCLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588560426 1080096339 /nfs/dbraw/zinc/09/63/39/1080096339.db2.gz QNDPSXGFTZJNQJ-CXAGYDPISA-N -1 3 354.458 2.797 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588560426 1080096344 /nfs/dbraw/zinc/09/63/44/1080096344.db2.gz QNDPSXGFTZJNQJ-CXAGYDPISA-N -1 3 354.458 2.797 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588560965 1080098724 /nfs/dbraw/zinc/09/87/24/1080098724.db2.gz WOMPKCPNFPBULQ-JEBQAFNWSA-N -1 3 366.469 2.768 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588560965 1080098737 /nfs/dbraw/zinc/09/87/37/1080098737.db2.gz WOMPKCPNFPBULQ-JEBQAFNWSA-N -1 3 366.469 2.768 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588588319 1080111133 /nfs/dbraw/zinc/11/11/33/1080111133.db2.gz KOQXMQBRLUFXPS-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588588319 1080111134 /nfs/dbraw/zinc/11/11/34/1080111134.db2.gz KOQXMQBRLUFXPS-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCOCCCCC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588618110 1080123980 /nfs/dbraw/zinc/12/39/80/1080123980.db2.gz SPXRMUGVZWQAHS-UHFFFAOYSA-N -1 3 363.849 2.899 20 30 FFEDHM C=CCCOCCCCC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588618110 1080123983 /nfs/dbraw/zinc/12/39/83/1080123983.db2.gz SPXRMUGVZWQAHS-UHFFFAOYSA-N -1 3 363.849 2.899 20 30 FFEDHM C=CCN(C)c1nnc([C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)n1CC=C ZINC001588626999 1080127555 /nfs/dbraw/zinc/12/75/55/1080127555.db2.gz ZAFFFDOWEADSKQ-CQSZACIVSA-N -1 3 364.457 2.613 20 30 FFEDHM C=CCN(C)c1nnc([C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)n1CC=C ZINC001588626999 1080127559 /nfs/dbraw/zinc/12/75/59/1080127559.db2.gz ZAFFFDOWEADSKQ-CQSZACIVSA-N -1 3 364.457 2.613 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC12CCSCC2 ZINC001588639766 1080133298 /nfs/dbraw/zinc/13/32/98/1080133298.db2.gz WNOLYRSLIGOFIE-MRXNPFEDSA-N -1 3 369.494 2.915 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC12CCSCC2 ZINC001588639766 1080133303 /nfs/dbraw/zinc/13/33/03/1080133303.db2.gz WNOLYRSLIGOFIE-MRXNPFEDSA-N -1 3 369.494 2.915 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COCc1ccccc1 ZINC001588640468 1080133356 /nfs/dbraw/zinc/13/33/56/1080133356.db2.gz SSQWKGPGDMOQCN-UHFFFAOYSA-N -1 3 363.421 2.598 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COCc1ccccc1 ZINC001588640468 1080133363 /nfs/dbraw/zinc/13/33/63/1080133363.db2.gz SSQWKGPGDMOQCN-UHFFFAOYSA-N -1 3 363.421 2.598 20 30 FFEDHM C=CCO[C@@H]1CCN(C(=O)c2sc3ccc(-c4nnn[n-]4)cc3c2C)C1 ZINC001588665031 1080146885 /nfs/dbraw/zinc/14/68/85/1080146885.db2.gz CPXMDKLEFIGIGD-CYBMUJFWSA-N -1 3 369.450 2.807 20 30 FFEDHM C=CCO[C@@H]1CCN(C(=O)c2sc3ccc(-c4nn[n-]n4)cc3c2C)C1 ZINC001588665031 1080146889 /nfs/dbraw/zinc/14/68/89/1080146889.db2.gz CPXMDKLEFIGIGD-CYBMUJFWSA-N -1 3 369.450 2.807 20 30 FFEDHM C=CCOc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)cc1 ZINC001588690223 1080155667 /nfs/dbraw/zinc/15/56/67/1080155667.db2.gz WYLSPTBHCCLSJY-UHFFFAOYSA-N -1 3 352.350 2.659 20 30 FFEDHM C=CCOc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)cc1 ZINC001588690223 1080155676 /nfs/dbraw/zinc/15/56/76/1080155676.db2.gz WYLSPTBHCCLSJY-UHFFFAOYSA-N -1 3 352.350 2.659 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC001588689692 1080156182 /nfs/dbraw/zinc/15/61/82/1080156182.db2.gz PRPNKLOBKABWBB-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC001588689692 1080156190 /nfs/dbraw/zinc/15/61/90/1080156190.db2.gz PRPNKLOBKABWBB-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCn1c([C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)nnc1N1CCCC1 ZINC001588703410 1080162091 /nfs/dbraw/zinc/16/20/91/1080162091.db2.gz BCUKIAHINFQNDR-CQSZACIVSA-N -1 3 364.457 2.591 20 30 FFEDHM C=CCn1c([C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)nnc1N1CCCC1 ZINC001588703410 1080162100 /nfs/dbraw/zinc/16/21/00/1080162100.db2.gz BCUKIAHINFQNDR-CQSZACIVSA-N -1 3 364.457 2.591 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1Nc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001588719187 1080169295 /nfs/dbraw/zinc/16/92/95/1080169295.db2.gz ZCBGLBLZNWUUCC-CABCVRRESA-N -1 3 365.397 2.595 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1Nc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001588719187 1080169297 /nfs/dbraw/zinc/16/92/97/1080169297.db2.gz ZCBGLBLZNWUUCC-CABCVRRESA-N -1 3 365.397 2.595 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC001588726324 1080171714 /nfs/dbraw/zinc/17/17/14/1080171714.db2.gz YWSCZXDVDYSRTO-FOGDFJRCSA-N -1 3 359.455 2.583 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001588726324 1080171718 /nfs/dbraw/zinc/17/17/18/1080171718.db2.gz YWSCZXDVDYSRTO-FOGDFJRCSA-N -1 3 359.455 2.583 20 30 FFEDHM C=CCN1CCC(NC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001588840063 1080214540 /nfs/dbraw/zinc/21/45/40/1080214540.db2.gz ZOWHKAOFPRYIKR-QGZVFWFLSA-N -1 3 371.481 2.754 20 30 FFEDHM C=CCSc1ccccc1NC(=O)CN[C@@]1(CC(=O)[O-])CCCOC1 ZINC001588879867 1080230021 /nfs/dbraw/zinc/23/00/21/1080230021.db2.gz WBLSLFFARYQQHJ-GOSISDBHSA-N -1 3 364.467 2.517 20 30 FFEDHM CC(C)(NC(=O)c1ccc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001589319751 1080480921 /nfs/dbraw/zinc/48/09/21/1080480921.db2.gz SPDRTFLJAGPVSY-UHFFFAOYSA-N -1 3 350.357 2.543 20 30 FFEDHM CC(C)(NC(=O)c1ccc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001589319751 1080480928 /nfs/dbraw/zinc/48/09/28/1080480928.db2.gz SPDRTFLJAGPVSY-UHFFFAOYSA-N -1 3 350.357 2.543 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1 ZINC001590055908 1080983889 /nfs/dbraw/zinc/98/38/89/1080983889.db2.gz XYSWEKHHQUMWSI-SFHVURJKSA-N -1 3 351.414 2.902 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1 ZINC001590055908 1080983894 /nfs/dbraw/zinc/98/38/94/1080983894.db2.gz XYSWEKHHQUMWSI-SFHVURJKSA-N -1 3 351.414 2.902 20 30 FFEDHM CC1CCC(C)(CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590224997 1081105549 /nfs/dbraw/zinc/10/55/49/1081105549.db2.gz HBYJONKGICGCGS-GBXVCHKXSA-N -1 3 366.469 2.882 20 30 FFEDHM C[C@@H]1CCC[C@H](CCNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590245319 1081118551 /nfs/dbraw/zinc/11/85/51/1081118551.db2.gz ZVRRDHRXVNKXCV-RKVPGOIHSA-N -1 3 366.469 2.882 20 30 FFEDHM C[C@@H]1CCCC[C@H]1COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590254566 1081125706 /nfs/dbraw/zinc/12/57/06/1081125706.db2.gz WTSQVMJFHYYWQP-XOKHGSTOSA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@@H]1CCCC[C@H]1COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590254566 1081125709 /nfs/dbraw/zinc/12/57/09/1081125709.db2.gz WTSQVMJFHYYWQP-XOKHGSTOSA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1nc(C(C)(C)C)cs1 ZINC000106893192 250295802 /nfs/dbraw/zinc/29/58/02/250295802.db2.gz LHABRVUIUSNLAH-SNVBAGLBSA-N -1 3 350.469 2.747 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000274187581 255845526 /nfs/dbraw/zinc/84/55/26/255845526.db2.gz LOYUSRMRVWHTGA-JSGCOSHPSA-N -1 3 374.384 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1c(F)cncc1F ZINC000286381374 257034207 /nfs/dbraw/zinc/03/42/07/257034207.db2.gz LYUUOWAVOCHRBK-NSHDSACASA-N -1 3 360.364 2.759 20 30 FFEDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)o1 ZINC000291935629 257440894 /nfs/dbraw/zinc/44/08/94/257440894.db2.gz MOHQXZOWUZSSIS-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000330756733 258170054 /nfs/dbraw/zinc/17/00/54/258170054.db2.gz HOBNYNINKRLNDX-MLGOLLRUSA-N -1 3 370.858 2.612 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1C#N ZINC000331150662 258178337 /nfs/dbraw/zinc/17/83/37/258178337.db2.gz OHXREYXQNXKYHW-FZMZJTMJSA-N -1 3 361.389 2.909 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1Br ZINC000156871507 508489416 /nfs/dbraw/zinc/48/94/16/508489416.db2.gz OHXHZAYZFKYSRQ-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)C[C@H](C)C#N)nc(=O)c2c1C ZINC000064797006 506226451 /nfs/dbraw/zinc/22/64/51/506226451.db2.gz ZEKNQNXSFDJCKQ-KOLCDFICSA-N -1 3 362.455 2.622 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1OCC[C@H]2O ZINC000375096742 512161535 /nfs/dbraw/zinc/16/15/35/512161535.db2.gz LDEBKFVOGAZHJV-QGZVFWFLSA-N -1 3 367.405 2.663 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCC2(CCOCC2)CC1 ZINC000370983130 512164397 /nfs/dbraw/zinc/16/43/97/512164397.db2.gz WFNSLPSZIVMMLI-UHFFFAOYSA-N -1 3 352.431 2.715 20 30 FFEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCO[C@H](c3cccc(C#N)c3)C1)c2=O ZINC000375334137 512273307 /nfs/dbraw/zinc/27/33/07/512273307.db2.gz RMNNLFOXODSKSW-IBGZPJMESA-N -1 3 373.412 2.922 20 30 FFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000053524427 506398693 /nfs/dbraw/zinc/39/86/93/506398693.db2.gz GSCLHXWMZNVQCI-AWEZNQCLSA-N -1 3 362.393 2.503 20 30 FFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000053524427 506398701 /nfs/dbraw/zinc/39/87/01/506398701.db2.gz GSCLHXWMZNVQCI-AWEZNQCLSA-N -1 3 362.393 2.503 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000053524427 506398708 /nfs/dbraw/zinc/39/87/08/506398708.db2.gz GSCLHXWMZNVQCI-AWEZNQCLSA-N -1 3 362.393 2.503 20 30 FFEDHM CC(C)N(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041492097 506525309 /nfs/dbraw/zinc/52/53/09/506525309.db2.gz DXZUIIBEXZCTKL-MRXNPFEDSA-N -1 3 357.435 2.601 20 30 FFEDHM CC(=O)Nc1ccc(F)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000044065127 506810044 /nfs/dbraw/zinc/81/00/44/506810044.db2.gz ANOLKMIKLGAZDZ-UHFFFAOYSA-N -1 3 370.384 2.532 20 30 FFEDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)C1 ZINC000067919966 507052674 /nfs/dbraw/zinc/05/26/74/507052674.db2.gz WFMIASHWSKWEDP-GFCCVEGCSA-N -1 3 356.430 2.739 20 30 FFEDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)C1 ZINC000067919966 507052678 /nfs/dbraw/zinc/05/26/78/507052678.db2.gz WFMIASHWSKWEDP-GFCCVEGCSA-N -1 3 356.430 2.739 20 30 FFEDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000067919966 507052681 /nfs/dbraw/zinc/05/26/81/507052681.db2.gz WFMIASHWSKWEDP-GFCCVEGCSA-N -1 3 356.430 2.739 20 30 FFEDHM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000047372325 507317613 /nfs/dbraw/zinc/31/76/13/507317613.db2.gz DQFROXBUEJKHHM-CYBMUJFWSA-N -1 3 358.283 2.566 20 30 FFEDHM N#CCCCOc1cccnc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000072087472 507748455 /nfs/dbraw/zinc/74/84/55/507748455.db2.gz AFRYHWQGSUCMOF-UHFFFAOYSA-N -1 3 366.337 2.801 20 30 FFEDHM Cc1ccc([O-])c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000029047181 507755463 /nfs/dbraw/zinc/75/54/63/507755463.db2.gz PVVWOFLOVUSRRX-GOSISDBHSA-N -1 3 353.397 2.862 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000079846644 508006541 /nfs/dbraw/zinc/00/65/41/508006541.db2.gz MYJQBMIAEAABPC-JTQLQIEISA-N -1 3 351.653 2.929 20 30 FFEDHM C=CCCCN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000076650776 508236649 /nfs/dbraw/zinc/23/66/49/508236649.db2.gz KNUJWQMFXITKNI-UHFFFAOYSA-N -1 3 368.480 2.858 20 30 FFEDHM COc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000104918288 508352071 /nfs/dbraw/zinc/35/20/71/508352071.db2.gz UAKJJOVMZWWJRB-UHFFFAOYSA-N -1 3 352.390 2.956 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000133906048 508466774 /nfs/dbraw/zinc/46/67/74/508466774.db2.gz WLVCPZPUSGYPDC-UHFFFAOYSA-N -1 3 354.266 2.786 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116096440 508471025 /nfs/dbraw/zinc/47/10/25/508471025.db2.gz UBDQTQDRZSNKLK-CXAGYDPISA-N -1 3 371.387 2.747 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)Cc1cccs1 ZINC000122242722 508505124 /nfs/dbraw/zinc/50/51/24/508505124.db2.gz HIKSWPDSVPOXFT-LLVKDONJSA-N -1 3 365.436 2.685 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000157103926 508522858 /nfs/dbraw/zinc/52/28/58/508522858.db2.gz UKBVRYJAZZALCP-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CCSC)ccc1F ZINC000134395733 508527777 /nfs/dbraw/zinc/52/77/77/508527777.db2.gz KEYDLQAOEZEDJK-GFCCVEGCSA-N -1 3 374.503 2.504 20 30 FFEDHM CCN(CC#N)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000127974634 508530082 /nfs/dbraw/zinc/53/00/82/508530082.db2.gz WTCCZCUKDWIFOD-UHFFFAOYSA-N -1 3 369.512 2.735 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1ccc(F)cc1 ZINC000122653325 508567753 /nfs/dbraw/zinc/56/77/53/508567753.db2.gz CWGNMEJTOSVBPL-NSHDSACASA-N -1 3 352.362 2.582 20 30 FFEDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc2C[C@H]1C ZINC000135376082 508596093 /nfs/dbraw/zinc/59/60/93/508596093.db2.gz ALOGOPCZZCVTPB-LLVKDONJSA-N -1 3 373.409 2.796 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(F)cc12 ZINC000157686179 508596590 /nfs/dbraw/zinc/59/65/90/508596590.db2.gz SGYZXTJBKVGEQJ-UHFFFAOYSA-N -1 3 361.373 2.839 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000118779501 508671384 /nfs/dbraw/zinc/67/13/84/508671384.db2.gz XXBCRKSKQWEGTK-LBPRGKRZSA-N -1 3 372.450 2.652 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000118779504 508671495 /nfs/dbraw/zinc/67/14/95/508671495.db2.gz XXBCRKSKQWEGTK-GFCCVEGCSA-N -1 3 372.450 2.652 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1CCO[C@H]1CCCCO1 ZINC000136539447 508700086 /nfs/dbraw/zinc/70/00/86/508700086.db2.gz KFFLFKXRPSWLIY-QAPCUYQASA-N -1 3 354.410 2.620 20 30 FFEDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000158793639 508752854 /nfs/dbraw/zinc/75/28/54/508752854.db2.gz OXHBHINULMGHFB-SECBINFHSA-N -1 3 353.831 2.899 20 30 FFEDHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000119238033 508754988 /nfs/dbraw/zinc/75/49/88/508754988.db2.gz RSAGMARCSMCCGZ-IINYFYTJSA-N -1 3 364.389 2.652 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccccc1Cl ZINC000159288520 508819857 /nfs/dbraw/zinc/81/98/57/508819857.db2.gz HYCSECNPUIUGAQ-UHFFFAOYSA-N -1 3 373.840 2.645 20 30 FFEDHM N#Cc1cc(F)c(C(=O)[N-]c2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(F)c1 ZINC000154996063 508899666 /nfs/dbraw/zinc/89/96/66/508899666.db2.gz RYAARUUMASYZCR-UHFFFAOYSA-N -1 3 373.344 2.639 20 30 FFEDHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155195799 508945741 /nfs/dbraw/zinc/94/57/41/508945741.db2.gz FUOHVLXVHYQPDR-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1cc(Br)ccc1-n1cccn1 ZINC000120201339 508949176 /nfs/dbraw/zinc/94/91/76/508949176.db2.gz JTUIBMGMZXOXIK-UHFFFAOYSA-N -1 3 356.245 2.953 20 30 FFEDHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)s1 ZINC000155252125 508958946 /nfs/dbraw/zinc/95/89/46/508958946.db2.gz NISGCPFOKJDEKS-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H](C)C#N ZINC000125812190 509033078 /nfs/dbraw/zinc/03/30/78/509033078.db2.gz JQVURQWZXGQVQC-LBPRGKRZSA-N -1 3 361.398 2.577 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000156020454 509111576 /nfs/dbraw/zinc/11/15/76/509111576.db2.gz KJMJYRLXLPAQKY-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000121105403 509129255 /nfs/dbraw/zinc/12/92/55/509129255.db2.gz MXBKXHJRBINXFL-UHFFFAOYSA-N -1 3 359.407 2.604 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc(F)c(F)cc3F)n2)cc1 ZINC000152060904 509138777 /nfs/dbraw/zinc/13/87/77/509138777.db2.gz ISOREFUYNANPEN-UHFFFAOYSA-N -1 3 357.295 2.868 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1nc2ccccc2o1 ZINC000121397782 509171876 /nfs/dbraw/zinc/17/18/76/509171876.db2.gz XXCKVSNOZSCQKU-UHFFFAOYSA-N -1 3 350.378 2.600 20 30 FFEDHM CCCCn1ncc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000163143516 509344152 /nfs/dbraw/zinc/34/41/52/509344152.db2.gz FMVHVDNQYWATPC-UHFFFAOYSA-N -1 3 355.442 2.740 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000230276396 509435497 /nfs/dbraw/zinc/43/54/97/509435497.db2.gz IDPJWATWDQBDES-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@@H](Cc1cccc2ccccc21)C(=O)OCC ZINC000185984582 509464642 /nfs/dbraw/zinc/46/46/42/509464642.db2.gz LOGNLBXJUQSDJN-SFHVURJKSA-N -1 3 361.463 2.810 20 30 FFEDHM C=C(C)CN(C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000183041659 509562558 /nfs/dbraw/zinc/56/25/58/509562558.db2.gz KXHMWTZNDMURHP-UHFFFAOYSA-N -1 3 372.469 2.512 20 30 FFEDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CC1(C#N)CC1 ZINC000165778015 509583725 /nfs/dbraw/zinc/58/37/25/509583725.db2.gz VGGJOBSLIHHIEN-UHFFFAOYSA-N -1 3 373.272 2.610 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c(C)o1 ZINC000167065208 509624462 /nfs/dbraw/zinc/62/44/62/509624462.db2.gz QMCZFDNCWVBWSY-AWEZNQCLSA-N -1 3 362.407 2.698 20 30 FFEDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000179862327 509652844 /nfs/dbraw/zinc/65/28/44/509652844.db2.gz DGXPLHNBXFGSHH-JKSUJKDBSA-N -1 3 354.447 2.959 20 30 FFEDHM Cc1cc(C)c(N2CC[C@H](/N=C/c3ccc(O)c([O-])c3O)C2=O)c(C)c1 ZINC000189649832 509681542 /nfs/dbraw/zinc/68/15/42/509681542.db2.gz FMZLWKBARKJIKO-LKKXKRCMSA-N -1 3 354.406 2.953 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC000192925632 509701615 /nfs/dbraw/zinc/70/16/15/509701615.db2.gz OZDOTOPEEVFANW-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccc(F)c(F)c1 ZINC000180188543 509801562 /nfs/dbraw/zinc/80/15/62/509801562.db2.gz KAMGNUZQYOSTMI-MRXNPFEDSA-N -1 3 366.389 2.811 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(Cl)c1 ZINC000180207895 509812756 /nfs/dbraw/zinc/81/27/56/509812756.db2.gz VUZIAUYKXJWRHL-MAZHCROVSA-N -1 3 366.870 2.838 20 30 FFEDHM CCCOc1ccc(/C=N/[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c([O-])c1 ZINC000173993626 509893485 /nfs/dbraw/zinc/89/34/85/509893485.db2.gz YHPVBCIWVQFWQE-VYVDHXHBSA-N -1 3 370.453 2.837 20 30 FFEDHM COC(=O)c1scc(C)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000186906242 509941663 /nfs/dbraw/zinc/94/16/63/509941663.db2.gz CWCOMMJNIKHNGU-UHFFFAOYSA-N -1 3 373.434 2.591 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c(Cl)c1 ZINC000183719194 509942703 /nfs/dbraw/zinc/94/27/03/509942703.db2.gz HGVWESRTNCSVPK-HNNXBMFYSA-N -1 3 364.854 2.656 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1noc(-c2ccccc2)n1 ZINC000193706060 510029701 /nfs/dbraw/zinc/02/97/01/510029701.db2.gz HTMXUZHNNWWFSU-UHFFFAOYSA-N -1 3 374.809 2.740 20 30 FFEDHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000190327459 510066147 /nfs/dbraw/zinc/06/61/47/510066147.db2.gz VPFAKJZJLJZGJM-UHFFFAOYSA-N -1 3 362.382 2.983 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2ncccc2c1 ZINC000193984811 510162194 /nfs/dbraw/zinc/16/21/94/510162194.db2.gz MSOOAPRIAGDUOO-UHFFFAOYSA-N -1 3 360.417 2.661 20 30 FFEDHM C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000190608789 510238328 /nfs/dbraw/zinc/23/83/28/510238328.db2.gz LYCIPOCMQCMWBC-YVEFUNNKSA-N -1 3 371.387 2.994 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c1 ZINC000177997177 510366300 /nfs/dbraw/zinc/36/63/00/510366300.db2.gz UZYUYJPOLKFCNM-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCNc1cccc(F)c1 ZINC000182103437 510760130 /nfs/dbraw/zinc/76/01/30/510760130.db2.gz CRAQRFDOJNXPOT-UHFFFAOYSA-N -1 3 370.428 2.554 20 30 FFEDHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172590124 510809729 /nfs/dbraw/zinc/80/97/29/510809729.db2.gz CSGBPSNEPTUGRR-UHFFFAOYSA-N -1 3 371.462 2.813 20 30 FFEDHM C=CCOc1cccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c1 ZINC000277257472 510958166 /nfs/dbraw/zinc/95/81/66/510958166.db2.gz KIAJUFIZPTWSHY-AWEZNQCLSA-N -1 3 369.343 2.710 20 30 FFEDHM C=CC[C@H]1N(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCCC1(C)C ZINC000278231266 510984545 /nfs/dbraw/zinc/98/45/45/510984545.db2.gz VICWBFPWYUYDJF-IIBYNOLFSA-N -1 3 369.465 2.948 20 30 FFEDHM N#Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c[nH]1 ZINC000361122408 510995294 /nfs/dbraw/zinc/99/52/94/510995294.db2.gz BGLHVCGMGXPICJ-OAHLLOKOSA-N -1 3 358.829 2.640 20 30 FFEDHM C=CC[C@H]1N(C(=O)C[N-]S(=O)(=O)c2cccs2)CCCC1(C)C ZINC000330898737 511027235 /nfs/dbraw/zinc/02/72/35/511027235.db2.gz IPJIWYVRPCFMIW-CYBMUJFWSA-N -1 3 356.513 2.620 20 30 FFEDHM N#Cc1cc2c(nc1N1CCN(C(=O)c3ccccc3[O-])CC1)CCCC2 ZINC000270936429 511030554 /nfs/dbraw/zinc/03/05/54/511030554.db2.gz IXMBDUYSKSUTRE-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c(F)cc1Br ZINC000331899796 511074632 /nfs/dbraw/zinc/07/46/32/511074632.db2.gz BTUXDGZUMVRXLI-ZDUSSCGKSA-N -1 3 361.236 2.867 20 30 FFEDHM C=C[C@](C)(CCOC)c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000288945807 511090347 /nfs/dbraw/zinc/09/03/47/511090347.db2.gz JXAYSFKMSALEMV-MRXNPFEDSA-N -1 3 351.428 2.588 20 30 FFEDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cn1 ZINC000282900373 511155797 /nfs/dbraw/zinc/15/57/97/511155797.db2.gz UDJWLCAIMUSSRG-UHFFFAOYSA-N -1 3 370.413 2.507 20 30 FFEDHM Cc1ncc(CO)c(C=N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291032587 511156583 /nfs/dbraw/zinc/15/65/83/511156583.db2.gz XISDPATXFNRXRC-HKNSOBRKSA-N -1 3 368.437 2.688 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1Br ZINC000295158266 511303328 /nfs/dbraw/zinc/30/33/28/511303328.db2.gz CXVVTYXJERHVIG-LBPRGKRZSA-N -1 3 359.245 2.632 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000333689038 511324030 /nfs/dbraw/zinc/32/40/30/511324030.db2.gz MGZFLJJRAOYQGG-CYBMUJFWSA-N -1 3 354.859 2.839 20 30 FFEDHM CC[C@@H](C)NC(=O)c1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000298672850 511369698 /nfs/dbraw/zinc/36/96/98/511369698.db2.gz UOJQFIQSHXETRV-SRRANQMSSA-N -1 3 355.438 2.735 20 30 FFEDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000295871762 511542009 /nfs/dbraw/zinc/54/20/09/511542009.db2.gz YVLOYRJCHMSTDN-QWRGUYRKSA-N -1 3 357.819 2.917 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)c3cc([O-])ccc3Cl)n2)c(F)c1 ZINC000365645072 511577919 /nfs/dbraw/zinc/57/79/19/511577919.db2.gz YXNSWLYXCMUDRQ-UHFFFAOYSA-N -1 3 356.744 2.916 20 30 FFEDHM N#C[C@@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CCC[C@]12CCCCO2 ZINC000366179285 511883683 /nfs/dbraw/zinc/88/36/83/511883683.db2.gz CVKURZONLWMAGU-AZUAARDMSA-N -1 3 351.406 2.596 20 30 FFEDHM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(F)cc2nn[n-]c21 ZINC000328636072 511903088 /nfs/dbraw/zinc/90/30/88/511903088.db2.gz AAAFJMZOLSLVIC-RTHLEPHNSA-N -1 3 360.311 2.885 20 30 FFEDHM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(F)cc2[n-]nnc21 ZINC000328636072 511903092 /nfs/dbraw/zinc/90/30/92/511903092.db2.gz AAAFJMZOLSLVIC-RTHLEPHNSA-N -1 3 360.311 2.885 20 30 FFEDHM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(F)cc2n[n-]nc21 ZINC000328636072 511903095 /nfs/dbraw/zinc/90/30/95/511903095.db2.gz AAAFJMZOLSLVIC-RTHLEPHNSA-N -1 3 360.311 2.885 20 30 FFEDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000328742489 511924110 /nfs/dbraw/zinc/92/41/10/511924110.db2.gz JNSVRVPJJVDYJQ-HNNXBMFYSA-N -1 3 368.437 2.678 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccn3cncc3c2)no1 ZINC000351109511 511956547 /nfs/dbraw/zinc/95/65/47/511956547.db2.gz UZPUJNLLBJQABL-UHFFFAOYSA-N -1 3 360.377 2.759 20 30 FFEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000285003152 511964884 /nfs/dbraw/zinc/96/48/84/511964884.db2.gz FYIVBWKOOTTWOP-UGSOOPFHSA-N -1 3 361.467 2.737 20 30 FFEDHM C[C@H](CF)NC(=O)C(=O)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000411532347 512677163 /nfs/dbraw/zinc/67/71/63/512677163.db2.gz YZDNKQHUJMTHHW-GMSGAONNSA-N -1 3 374.256 2.899 20 30 FFEDHM CC[C@@H](CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1)OC ZINC000421241458 513173324 /nfs/dbraw/zinc/17/33/24/513173324.db2.gz XMPUWDXDWNUURM-QWHCGFSZSA-N -1 3 350.362 2.614 20 30 FFEDHM Cn1c(C(C#N)=C([O-])c2cnnn2-c2cccc(F)c2)nc2ccccc21 ZINC000434617022 513369268 /nfs/dbraw/zinc/36/92/68/513369268.db2.gz KFWZQUOMVVAZPU-AWEZNQCLSA-N -1 3 360.352 2.783 20 30 FFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000440647159 513369798 /nfs/dbraw/zinc/36/97/98/513369798.db2.gz HDFHUGMGTKTBHG-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-n4cncn4)cc3C)nc1-2 ZINC000429577017 513415398 /nfs/dbraw/zinc/41/53/98/513415398.db2.gz ZVVYHIVXVLYFLW-HNNXBMFYSA-N -1 3 357.377 2.646 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000425180340 513439179 /nfs/dbraw/zinc/43/91/79/513439179.db2.gz SBTYIXRMWNQTCM-CABZTGNLSA-N -1 3 353.337 2.714 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000425189923 513444182 /nfs/dbraw/zinc/44/41/82/513444182.db2.gz PACCMLHQURGWQH-MBNYWOFBSA-N -1 3 372.874 2.724 20 30 FFEDHM COC(=O)[C@H](CNc1ncc2c(c1C#N)CCC2)Cc1ccc([O-])c(F)c1 ZINC000425282756 513490395 /nfs/dbraw/zinc/49/03/95/513490395.db2.gz NXJMYIYRFYBHRL-AWEZNQCLSA-N -1 3 369.396 2.730 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000435422884 513578845 /nfs/dbraw/zinc/57/88/45/513578845.db2.gz QICGXVKIKNOBOV-GOSISDBHSA-N -1 3 358.463 2.732 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000435425423 513580012 /nfs/dbraw/zinc/58/00/12/513580012.db2.gz CRJVYCPUXPMXCV-GFCCVEGCSA-N -1 3 367.883 2.830 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000435436841 513587730 /nfs/dbraw/zinc/58/77/30/513587730.db2.gz HNQVMTBGXXHRQC-ZBFHGGJFSA-N -1 3 366.439 2.957 20 30 FFEDHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000447935694 513630099 /nfs/dbraw/zinc/63/00/99/513630099.db2.gz IZACFHLATDWZTA-HNNXBMFYSA-N -1 3 355.891 2.610 20 30 FFEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-n3cnnn3)cc2)s1 ZINC000430652933 513713631 /nfs/dbraw/zinc/71/36/31/513713631.db2.gz YIQNWWFYDUPJJT-CYBMUJFWSA-N -1 3 352.423 2.906 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000416528889 513818625 /nfs/dbraw/zinc/81/86/25/513818625.db2.gz INHKBICGPUBPBE-GFCCVEGCSA-N -1 3 374.890 2.972 20 30 FFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416531921 513820055 /nfs/dbraw/zinc/82/00/55/513820055.db2.gz PTIVNARPPLNRKC-UHFFFAOYSA-N -1 3 365.333 2.832 20 30 FFEDHM COCCN(C)CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000442953807 513826006 /nfs/dbraw/zinc/82/60/06/513826006.db2.gz PNLYDAKQGUGWRY-IBGZPJMESA-N -1 3 367.449 2.703 20 30 FFEDHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000443022593 513846006 /nfs/dbraw/zinc/84/60/06/513846006.db2.gz WMOKBQYZJFSAKS-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC(F)(F)F ZINC000416603685 513861931 /nfs/dbraw/zinc/86/19/31/513861931.db2.gz WAYJMUGLWLNUKN-SECBINFHSA-N -1 3 365.333 2.723 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000443086622 513867653 /nfs/dbraw/zinc/86/76/53/513867653.db2.gz HMUWNGBLYKWLQW-UHFFFAOYSA-N -1 3 366.389 2.974 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1OC ZINC000443089749 513868605 /nfs/dbraw/zinc/86/86/05/513868605.db2.gz AUIYXPBBTLAQGX-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000416672605 513900800 /nfs/dbraw/zinc/90/08/00/513900800.db2.gz RNLRJSYCZIMDAS-GFCCVEGCSA-N -1 3 372.874 2.726 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)ccc1[O-] ZINC000436648237 513930763 /nfs/dbraw/zinc/93/07/63/513930763.db2.gz NJRMYOJAPQUPJK-UHFFFAOYSA-N -1 3 374.418 2.596 20 30 FFEDHM CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436680124 513941544 /nfs/dbraw/zinc/94/15/44/513941544.db2.gz IIZMKOWATUOGKQ-KRWDZBQOSA-N -1 3 364.405 2.549 20 30 FFEDHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443343436 513943772 /nfs/dbraw/zinc/94/37/72/513943772.db2.gz GMQYCQQJGZOONT-SNVBAGLBSA-N -1 3 358.847 2.610 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1OC(F)(F)F ZINC000443378863 513955645 /nfs/dbraw/zinc/95/56/45/513955645.db2.gz DUSNKOLENPKMOI-UHFFFAOYSA-N -1 3 368.227 2.718 20 30 FFEDHM COc1cccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1[O-] ZINC000436733506 513961400 /nfs/dbraw/zinc/96/14/00/513961400.db2.gz VWMUFTHNTNFSSU-UHFFFAOYSA-N -1 3 368.780 2.786 20 30 FFEDHM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000451818636 514001569 /nfs/dbraw/zinc/00/15/69/514001569.db2.gz QFPVPXTXJAWNJA-ZFWWWQNUSA-N -1 3 356.875 2.941 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000451913971 514066891 /nfs/dbraw/zinc/06/68/91/514066891.db2.gz YPSYIGHKCQSOHZ-NEPJUHHUSA-N -1 3 364.236 2.600 20 30 FFEDHM C=CCC1(C[N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)CCCC1 ZINC000451952770 514089878 /nfs/dbraw/zinc/08/98/78/514089878.db2.gz QJIPQTYHQIIPOE-UHFFFAOYSA-N -1 3 370.540 2.842 20 30 FFEDHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000451956256 514094112 /nfs/dbraw/zinc/09/41/12/514094112.db2.gz GNVUMVSLCCFZRE-UHFFFAOYSA-N -1 3 373.356 2.996 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OCC ZINC000452019133 514138930 /nfs/dbraw/zinc/13/89/30/514138930.db2.gz QZYOTRGFELYBMI-GFCCVEGCSA-N -1 3 365.373 2.882 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000452030751 514147501 /nfs/dbraw/zinc/14/75/01/514147501.db2.gz OVVLXSFJNNKWQR-SNVBAGLBSA-N -1 3 368.680 2.708 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1C#N ZINC000427324661 514184177 /nfs/dbraw/zinc/18/41/77/514184177.db2.gz OLEZSEXTJYMBQK-UHFFFAOYSA-N -1 3 357.313 2.803 20 30 FFEDHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C#N)cc3)cccc21 ZINC000432482587 514206753 /nfs/dbraw/zinc/20/67/53/514206753.db2.gz HEAAVLCHHBTLSZ-KRWDZBQOSA-N -1 3 357.435 2.744 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCO[C@@H]1CCCc2ccccc21 ZINC000428266607 514437394 /nfs/dbraw/zinc/43/73/94/514437394.db2.gz KYIIXXPWPQNHIB-GOSISDBHSA-N -1 3 371.462 2.716 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000428383608 514463056 /nfs/dbraw/zinc/46/30/56/514463056.db2.gz VYMOGTULFOMDQZ-NSHDSACASA-N -1 3 370.217 2.672 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCCC1 ZINC000428396320 514465503 /nfs/dbraw/zinc/46/55/03/514465503.db2.gz CQDVICDPPKJAEO-UHFFFAOYSA-N -1 3 363.389 2.979 20 30 FFEDHM Cc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)c(OCC2CC2)c1 ZINC000428398325 514466877 /nfs/dbraw/zinc/46/68/77/514466877.db2.gz LFMBLAMFDYAWNC-UHFFFAOYSA-N -1 3 357.435 2.529 20 30 FFEDHM C=CCNC(=O)Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000445332727 514468610 /nfs/dbraw/zinc/46/86/10/514468610.db2.gz QMQSFAZMBSMKSV-UHFFFAOYSA-N -1 3 365.389 2.866 20 30 FFEDHM Cc1ccc([C@@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428413006 514469223 /nfs/dbraw/zinc/46/92/23/514469223.db2.gz JYMWIYKJFTYGEH-APWZRJJASA-N -1 3 371.462 2.708 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000439008702 514482596 /nfs/dbraw/zinc/48/25/96/514482596.db2.gz JWLBRCYZQCUZKW-MRXNPFEDSA-N -1 3 362.393 2.780 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000439008702 514482600 /nfs/dbraw/zinc/48/26/00/514482600.db2.gz JWLBRCYZQCUZKW-MRXNPFEDSA-N -1 3 362.393 2.780 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000439008702 514482603 /nfs/dbraw/zinc/48/26/03/514482603.db2.gz JWLBRCYZQCUZKW-MRXNPFEDSA-N -1 3 362.393 2.780 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(C)C)[C@@H](CO)C(C)C ZINC000452930740 514562580 /nfs/dbraw/zinc/56/25/80/514562580.db2.gz OUHULKIDPPMAFE-PKOBYXMFSA-N -1 3 361.486 2.614 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)c(OCCOC(C)C)c1 ZINC000475526977 514703893 /nfs/dbraw/zinc/70/38/93/514703893.db2.gz NRBWIZWZEWXOHG-INIZCTEOSA-N -1 3 355.394 2.779 20 30 FFEDHM CCc1cc(=O)[n-]c(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000471003829 514711392 /nfs/dbraw/zinc/71/13/92/514711392.db2.gz AUNUPZNEXDFMNU-KRWDZBQOSA-N -1 3 371.872 2.780 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000471124031 514763092 /nfs/dbraw/zinc/76/30/92/514763092.db2.gz JMOWYKDNCWECFS-UHFFFAOYSA-N -1 3 357.269 2.685 20 30 FFEDHM C=CCCC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000476093879 514914390 /nfs/dbraw/zinc/91/43/90/514914390.db2.gz AESVLHPKOOOTAT-UHFFFAOYSA-N -1 3 352.431 2.951 20 30 FFEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCC[C@H]1C ZINC000489758785 514963116 /nfs/dbraw/zinc/96/31/16/514963116.db2.gz IADSMQUMCGTQIT-ACJLOTCBSA-N -1 3 359.470 2.872 20 30 FFEDHM C=C(C)CCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000456121677 514964687 /nfs/dbraw/zinc/96/46/87/514964687.db2.gz MQKXDLSHCUQVSK-UHFFFAOYSA-N -1 3 358.442 2.727 20 30 FFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(S(C)(=O)=O)cs3)nc21 ZINC000503405435 515022529 /nfs/dbraw/zinc/02/25/29/515022529.db2.gz ZPQKCPVJUAEWLQ-NSHDSACASA-N -1 3 359.432 2.826 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1cccc(Br)c1 ZINC000503483110 515049253 /nfs/dbraw/zinc/04/92/53/515049253.db2.gz PQLYHRHQLGFADA-ZDUSSCGKSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1cccc(Br)c1 ZINC000503483110 515049265 /nfs/dbraw/zinc/04/92/65/515049265.db2.gz PQLYHRHQLGFADA-ZDUSSCGKSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(Br)c1 ZINC000503483110 515049275 /nfs/dbraw/zinc/04/92/75/515049275.db2.gz PQLYHRHQLGFADA-ZDUSSCGKSA-N -1 3 374.173 2.854 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c(F)c1 ZINC000480708534 515054412 /nfs/dbraw/zinc/05/44/12/515054412.db2.gz LQYYTWJMEOQEEN-OAHLLOKOSA-N -1 3 366.801 2.904 20 30 FFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000476526483 515087417 /nfs/dbraw/zinc/08/74/17/515087417.db2.gz UWXYNPHLRDMEQQ-UHFFFAOYSA-N -1 3 366.664 2.803 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480816743 515092088 /nfs/dbraw/zinc/09/20/88/515092088.db2.gz YNQIZLSEJWIUJU-UHFFFAOYSA-N -1 3 368.319 2.804 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480816743 515092094 /nfs/dbraw/zinc/09/20/94/515092094.db2.gz YNQIZLSEJWIUJU-UHFFFAOYSA-N -1 3 368.319 2.804 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480816743 515092097 /nfs/dbraw/zinc/09/20/97/515092097.db2.gz YNQIZLSEJWIUJU-UHFFFAOYSA-N -1 3 368.319 2.804 20 30 FFEDHM CCCCn1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C)n1 ZINC000503810364 515146257 /nfs/dbraw/zinc/14/62/57/515146257.db2.gz HOKSAXKNVUXVEJ-UHFFFAOYSA-N -1 3 366.874 2.995 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000481071350 515194825 /nfs/dbraw/zinc/19/48/25/515194825.db2.gz MZKXZZHCAZWHCH-KRWDZBQOSA-N -1 3 366.389 2.644 20 30 FFEDHM CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000490445541 515215075 /nfs/dbraw/zinc/21/50/75/515215075.db2.gz NKUWMBIZZIXLNS-UHFFFAOYSA-N -1 3 370.887 2.708 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cn1 ZINC000509595859 515252460 /nfs/dbraw/zinc/25/24/60/515252460.db2.gz KTOJYHJWOADESQ-UHFFFAOYSA-N -1 3 365.798 2.569 20 30 FFEDHM Cn1[n-]c(=NC(=O)CCCCOc2cccc(C#N)c2)cc1OC(F)F ZINC000490922278 515334306 /nfs/dbraw/zinc/33/43/06/515334306.db2.gz BVAKZHRGIIVNPU-UHFFFAOYSA-N -1 3 364.352 2.503 20 30 FFEDHM Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)ccc1[O-] ZINC000499948739 515531045 /nfs/dbraw/zinc/53/10/45/515531045.db2.gz GLAYBEUERUTTKU-MRXNPFEDSA-N -1 3 367.430 2.726 20 30 FFEDHM N#CCCN(CC1CC1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482041300 515556327 /nfs/dbraw/zinc/55/63/27/515556327.db2.gz ADWADEJWCUMFJS-UHFFFAOYSA-N -1 3 362.231 2.676 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)Oc3ccccc3C#N)[n-]c21 ZINC000494116289 515738806 /nfs/dbraw/zinc/73/88/06/515738806.db2.gz WZCZIOMNDKOAFD-NSHDSACASA-N -1 3 364.361 2.627 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)Oc3ccccc3C#N)nc21 ZINC000494116289 515738812 /nfs/dbraw/zinc/73/88/12/515738812.db2.gz WZCZIOMNDKOAFD-NSHDSACASA-N -1 3 364.361 2.627 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1c(F)cncc1F ZINC000511030920 515752074 /nfs/dbraw/zinc/75/20/74/515752074.db2.gz PQJXOOBFSYITFJ-VIFPVBQESA-N -1 3 355.341 2.551 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1c(F)cncc1F ZINC000511047870 515757995 /nfs/dbraw/zinc/75/79/95/515757995.db2.gz ZQAFIXDCICQKCC-QMMMGPOBSA-N -1 3 357.769 2.924 20 30 FFEDHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000494338980 515812671 /nfs/dbraw/zinc/81/26/71/515812671.db2.gz CQYXPBYNHPOWOX-VIFPVBQESA-N -1 3 365.333 2.866 20 30 FFEDHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000494440570 515844144 /nfs/dbraw/zinc/84/41/44/515844144.db2.gz QRGRCHLGGUVHIV-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM O=S(=O)([N-]CCOC(F)(F)F)c1ccc(C(F)(F)F)cc1F ZINC000474380318 516020466 /nfs/dbraw/zinc/02/04/66/516020466.db2.gz UITGRRQLUJDIQP-UHFFFAOYSA-N -1 3 355.231 2.659 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)cc1 ZINC000550858240 516459618 /nfs/dbraw/zinc/45/96/18/516459618.db2.gz OHIVHTZMBGGWDQ-UHFFFAOYSA-N -1 3 353.403 2.833 20 30 FFEDHM Cc1cccc(F)c1S(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528549967 516522817 /nfs/dbraw/zinc/52/28/17/516522817.db2.gz GCRDSIIFRGYCAW-UHFFFAOYSA-N -1 3 374.437 2.990 20 30 FFEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523694074 516548666 /nfs/dbraw/zinc/54/86/66/516548666.db2.gz RDFCEAXLTMZCSD-SFHVURJKSA-N -1 3 362.389 2.592 20 30 FFEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523694073 516548691 /nfs/dbraw/zinc/54/86/91/516548691.db2.gz RDFCEAXLTMZCSD-GOSISDBHSA-N -1 3 362.389 2.592 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000561558482 516652347 /nfs/dbraw/zinc/65/23/47/516652347.db2.gz WERVZKXVWVWSEQ-XXFAHNHDSA-N -1 3 350.346 2.637 20 30 FFEDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cn2c1 ZINC000558585410 516822134 /nfs/dbraw/zinc/82/21/34/516822134.db2.gz OVRVGAHVMKPMRH-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM C[C@H](Sc1cc(C#N)ccn1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000514434644 516930401 /nfs/dbraw/zinc/93/04/01/516930401.db2.gz MCIWQJXTCRDKQX-NSHDSACASA-N -1 3 361.448 2.688 20 30 FFEDHM C[C@@]1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000541386657 517023740 /nfs/dbraw/zinc/02/37/40/517023740.db2.gz GEKZYYXXPZSUDI-LSDHHAIUSA-N -1 3 374.384 2.813 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000555947871 517201447 /nfs/dbraw/zinc/20/14/47/517201447.db2.gz HBTZAZQTJJSMPU-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000537743785 517322262 /nfs/dbraw/zinc/32/22/62/517322262.db2.gz TYDSZSLKUVLIDK-CMPLNLGQSA-N -1 3 362.373 2.670 20 30 FFEDHM C[C@]1(c2cccc(-c3noc(-c4ccc(CC#N)cc4)n3)c2)NC(=O)[N-]C1=O ZINC000545796578 517371543 /nfs/dbraw/zinc/37/15/43/517371543.db2.gz DNTBZSVGKMLSIM-HXUWFJFHSA-N -1 3 373.372 2.524 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000527043291 517468329 /nfs/dbraw/zinc/46/83/29/517468329.db2.gz RZRLHRHDJHSWRM-AAEUAGOBSA-N -1 3 360.863 2.724 20 30 FFEDHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000546056263 517517688 /nfs/dbraw/zinc/51/76/88/517517688.db2.gz PNLKWOSJNZCFGX-HDJSIYSDSA-N -1 3 371.418 2.999 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1ccccc1F ZINC000546071338 517526839 /nfs/dbraw/zinc/52/68/39/517526839.db2.gz OEPVTWKPQQXTEX-AWEZNQCLSA-N -1 3 354.447 2.986 20 30 FFEDHM COc1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)ccc1[O-] ZINC000530060871 517533150 /nfs/dbraw/zinc/53/31/50/517533150.db2.gz NZWXERRQFKOKHW-UHFFFAOYSA-N -1 3 352.390 2.708 20 30 FFEDHM COc1ccc(Cn2cc([N-]S(=O)(=O)CCC(C)(C)C#N)cn2)cc1 ZINC000516185706 517608903 /nfs/dbraw/zinc/60/89/03/517608903.db2.gz KGZFYMFKSXRAPP-UHFFFAOYSA-N -1 3 362.455 2.622 20 30 FFEDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)C1 ZINC000563316255 517816876 /nfs/dbraw/zinc/81/68/76/517816876.db2.gz VAFGZJVGNOOJRM-GHMZBOCLSA-N -1 3 359.398 2.794 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c([O-])c1 ZINC000538871266 517818133 /nfs/dbraw/zinc/81/81/33/517818133.db2.gz XSQPEZJQUGGBNW-GFCCVEGCSA-N -1 3 354.362 2.847 20 30 FFEDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553861967 517939357 /nfs/dbraw/zinc/93/93/57/517939357.db2.gz YMIDPWKFIJYXKN-SSDOTTSWSA-N -1 3 371.178 2.940 20 30 FFEDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000534635877 517975668 /nfs/dbraw/zinc/97/56/68/517975668.db2.gz LBZVJSCVKXVWOO-ZDUSSCGKSA-N -1 3 362.426 2.863 20 30 FFEDHM CCCN(CC#N)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000543433609 518087287 /nfs/dbraw/zinc/08/72/87/518087287.db2.gz GWNRLMYWWVIISY-UHFFFAOYSA-N -1 3 353.300 2.802 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000563725820 518093824 /nfs/dbraw/zinc/09/38/24/518093824.db2.gz ODOBNHMSJGJEOX-DYZYQPBXSA-N -1 3 364.373 2.778 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc2c(s1)CCC2 ZINC000566903657 518258436 /nfs/dbraw/zinc/25/84/36/518258436.db2.gz NWYXKRHLDHRGGN-SECBINFHSA-N -1 3 351.428 2.682 20 30 FFEDHM C=CCCCCCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000575880719 518326378 /nfs/dbraw/zinc/32/63/78/518326378.db2.gz YERPDZSRALAMPY-UHFFFAOYSA-N -1 3 370.453 2.871 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1C#N ZINC000584550137 518393519 /nfs/dbraw/zinc/39/35/19/518393519.db2.gz CVTOIMIOABBVHP-HNNXBMFYSA-N -1 3 374.441 2.553 20 30 FFEDHM CC[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000564358089 518416632 /nfs/dbraw/zinc/41/66/32/518416632.db2.gz OORDFXZZUIBJSG-LJQANCHMSA-N -1 3 374.437 2.854 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1C#N ZINC000573079239 518496842 /nfs/dbraw/zinc/49/68/42/518496842.db2.gz TUKASDJYGGCDMU-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000576336331 518541511 /nfs/dbraw/zinc/54/15/11/518541511.db2.gz RPLQOQIDAQLNQN-ZFWWWQNUSA-N -1 3 366.439 2.957 20 30 FFEDHM N#CCCC[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000582468105 518767043 /nfs/dbraw/zinc/76/70/43/518767043.db2.gz FQFRNYMBIDKYDM-SFHVURJKSA-N -1 3 351.406 2.673 20 30 FFEDHM C[C@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1F ZINC000570852086 518812061 /nfs/dbraw/zinc/81/20/61/518812061.db2.gz ZZHWHCNUABODCM-XJKSGUPXSA-N -1 3 354.447 2.641 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000565414585 518943571 /nfs/dbraw/zinc/94/35/71/518943571.db2.gz UIGKLZGZNLZYAX-SNVBAGLBSA-N -1 3 350.469 2.747 20 30 FFEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ncc(C#N)cc2C)[n-]1 ZINC000568967314 519307691 /nfs/dbraw/zinc/30/76/91/519307691.db2.gz JDJXVMLSUJHOFL-UHFFFAOYSA-N -1 3 355.398 2.756 20 30 FFEDHM CCCCc1nc(NC(=O)c2ncc(C#N)cc2C)c(C(=O)OCC)[n-]1 ZINC000568967314 519307704 /nfs/dbraw/zinc/30/77/04/519307704.db2.gz JDJXVMLSUJHOFL-UHFFFAOYSA-N -1 3 355.398 2.756 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CO)CC(c3ccccc3)C2)c(F)c1 ZINC000580751975 519338011 /nfs/dbraw/zinc/33/80/11/519338011.db2.gz XYBNKJPCTJJTIF-UHFFFAOYSA-N -1 3 374.437 2.532 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@@H]1c1cnn(C)c1 ZINC000571904918 519340040 /nfs/dbraw/zinc/34/00/40/519340040.db2.gz VDHDSLRFTVWGKL-SFHVURJKSA-N -1 3 367.453 2.552 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1F ZINC000577993597 519359918 /nfs/dbraw/zinc/35/99/18/519359918.db2.gz IAQIQYSTDDIXPK-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nc2c(s1)CCC2 ZINC000583682338 519379401 /nfs/dbraw/zinc/37/94/01/519379401.db2.gz GZRKWKXLYOZSFZ-JTQLQIEISA-N -1 3 365.455 2.823 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c(C#N)cc1N(C)C ZINC000580984145 519459879 /nfs/dbraw/zinc/45/98/79/519459879.db2.gz HZPFYDUHIJDOQR-UHFFFAOYSA-N -1 3 372.494 2.795 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(C)C)C1(CO)CC=CC1 ZINC000594375857 519922667 /nfs/dbraw/zinc/92/26/67/519922667.db2.gz JTUIKVQZZXBHGY-LJQANCHMSA-N -1 3 371.481 2.678 20 30 FFEDHM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594478431 519987644 /nfs/dbraw/zinc/98/76/44/519987644.db2.gz GMIDJFVIVRLTPP-LLVKDONJSA-N -1 3 369.368 2.882 20 30 FFEDHM C[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C[C@H](C)N1CC#N ZINC000603093924 520073854 /nfs/dbraw/zinc/07/38/54/520073854.db2.gz UWYWVRXABIYUGR-IYBDPMFKSA-N -1 3 351.450 2.923 20 30 FFEDHM COc1ccc([O-])c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000594667854 520075686 /nfs/dbraw/zinc/07/56/86/520075686.db2.gz JYGKYIXXAQNSSI-SFHVURJKSA-N -1 3 369.396 2.563 20 30 FFEDHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000608834137 520140115 /nfs/dbraw/zinc/14/01/15/520140115.db2.gz VIRZJGYXZCSISL-PWSUYJOCSA-N -1 3 362.373 2.813 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC000594765934 520144615 /nfs/dbraw/zinc/14/46/15/520144615.db2.gz AKFFEKATTJQLBD-UHFFFAOYSA-N -1 3 374.447 2.820 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1COC(C)(C)C1 ZINC000594789025 520158295 /nfs/dbraw/zinc/15/82/95/520158295.db2.gz JHDGQDIKODXFJX-GFCCVEGCSA-N -1 3 350.465 2.927 20 30 FFEDHM C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000597652155 520158409 /nfs/dbraw/zinc/15/84/09/520158409.db2.gz INLFGNSJFSPWDZ-KBPBESRZSA-N -1 3 358.442 2.731 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000594815146 520169943 /nfs/dbraw/zinc/16/99/43/520169943.db2.gz MAHLTSGOWQLIME-UHFFFAOYSA-N -1 3 363.888 2.714 20 30 FFEDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000595352331 520423015 /nfs/dbraw/zinc/42/30/15/520423015.db2.gz CIRVCBDDUBQXIQ-ZWKOTPCHSA-N -1 3 362.426 2.734 20 30 FFEDHM C=CCCC1(CNC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000617417063 520487037 /nfs/dbraw/zinc/48/70/37/520487037.db2.gz JORIVSPHOXCVBH-HXUWFJFHSA-N -1 3 369.465 2.998 20 30 FFEDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000613476462 520522494 /nfs/dbraw/zinc/52/24/94/520522494.db2.gz NKOZBIOWAIPMNL-VIFPVBQESA-N -1 3 351.409 2.876 20 30 FFEDHM Cc1nc([N-]C(=O)COc2ccccc2Cl)n(-c2ccc(C#N)cc2)n1 ZINC000610112275 520546147 /nfs/dbraw/zinc/54/61/47/520546147.db2.gz CTYVIXYZBABYCC-UHFFFAOYSA-N -1 3 367.796 2.540 20 30 FFEDHM N#Cc1cccc(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000610591642 520756541 /nfs/dbraw/zinc/75/65/41/520756541.db2.gz BJOZUMIYIHADRH-UHFFFAOYSA-N -1 3 358.316 2.734 20 30 FFEDHM Cc1nc([N-]C(=O)COC/C=C/c2ccccc2)n(-c2ccc(C#N)cc2)n1 ZINC000610793721 520846686 /nfs/dbraw/zinc/84/66/86/520846686.db2.gz RCNDKKKUXACEKV-VMPITWQZSA-N -1 3 373.416 2.538 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c(F)c1 ZINC000610970507 520923784 /nfs/dbraw/zinc/92/37/84/520923784.db2.gz FWMXJOGJZMHZSM-UHFFFAOYSA-N -1 3 373.409 2.623 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1c(F)cccc1N1CCCC1 ZINC000593597641 521099867 /nfs/dbraw/zinc/09/98/67/521099867.db2.gz BQUNXFKCBQSLEG-UHFFFAOYSA-N -1 3 365.455 2.838 20 30 FFEDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618716988 521197305 /nfs/dbraw/zinc/19/73/05/521197305.db2.gz RFKRWAVOIWRLCF-ZDUSSCGKSA-N -1 3 363.420 2.802 20 30 FFEDHM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000599410289 521204158 /nfs/dbraw/zinc/20/41/58/521204158.db2.gz HHDQAWWFAVSNHJ-GFCCVEGCSA-N -1 3 364.389 2.652 20 30 FFEDHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000599434225 521221418 /nfs/dbraw/zinc/22/14/18/521221418.db2.gz VHJFVLQDAFPMEL-UHFFFAOYSA-N -1 3 353.188 2.644 20 30 FFEDHM COc1cc2[n-]cc(C(=O)N[C@H](C#N)C3CCCCC3)c(=O)c2c(OC)c1 ZINC000599632686 521345470 /nfs/dbraw/zinc/34/54/70/521345470.db2.gz AWQRMKVKUCISOW-MRXNPFEDSA-N -1 3 369.421 2.748 20 30 FFEDHM COc1cc2ncc(C(=O)N[C@H](C#N)C3CCCCC3)c([O-])c2c(OC)c1 ZINC000599632686 521345476 /nfs/dbraw/zinc/34/54/76/521345476.db2.gz AWQRMKVKUCISOW-MRXNPFEDSA-N -1 3 369.421 2.748 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000626317539 522104270 /nfs/dbraw/zinc/10/42/70/522104270.db2.gz ZGMYEBRNCHIUQW-CYBMUJFWSA-N -1 3 367.471 2.887 20 30 FFEDHM C=CCCC(C)(C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000620863085 522488293 /nfs/dbraw/zinc/48/82/93/522488293.db2.gz FHCPMMFQMJQOFX-UHFFFAOYSA-N -1 3 370.453 2.869 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625240175 523282223 /nfs/dbraw/zinc/28/22/23/523282223.db2.gz XHASCOCNXGCSNG-SNVBAGLBSA-N -1 3 366.252 2.502 20 30 FFEDHM COC(=O)c1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c[n-]1 ZINC000498963421 561539554 /nfs/dbraw/zinc/53/95/54/561539554.db2.gz IQVFGEYBBGIQHM-UHFFFAOYSA-N -1 3 369.768 2.764 20 30 FFEDHM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc3nn[n-]c32)n1 ZINC000526122462 562267567 /nfs/dbraw/zinc/26/75/67/562267567.db2.gz JFAUCCXPKFVVIZ-UHFFFAOYSA-N -1 3 363.768 2.921 20 30 FFEDHM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc3[n-]nnc32)n1 ZINC000526122462 562267568 /nfs/dbraw/zinc/26/75/68/562267568.db2.gz JFAUCCXPKFVVIZ-UHFFFAOYSA-N -1 3 363.768 2.921 20 30 FFEDHM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc3n[n-]nc32)n1 ZINC000526122462 562267569 /nfs/dbraw/zinc/26/75/69/562267569.db2.gz JFAUCCXPKFVVIZ-UHFFFAOYSA-N -1 3 363.768 2.921 20 30 FFEDHM N#Cc1cc(NC(=O)COc2ccc(F)cc2Cl)ccc1-c1nnn[n-]1 ZINC000737708514 598914459 /nfs/dbraw/zinc/91/44/59/598914459.db2.gz GRIDAOKEIHTLJT-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1cc(NC(=O)COc2ccc(F)cc2Cl)ccc1-c1nn[n-]n1 ZINC000737708514 598914461 /nfs/dbraw/zinc/91/44/61/598914461.db2.gz GRIDAOKEIHTLJT-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM CC(C)(C)c1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cs1 ZINC000735656609 598920541 /nfs/dbraw/zinc/92/05/41/598920541.db2.gz KKAAFXCAYWXDBX-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM CC(C)(C)c1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cs1 ZINC000735656609 598920542 /nfs/dbraw/zinc/92/05/42/598920542.db2.gz KKAAFXCAYWXDBX-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM COCc1c2ccccc2oc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737015866 598920822 /nfs/dbraw/zinc/92/08/22/598920822.db2.gz GUOSQTCBVGSKIH-UHFFFAOYSA-N -1 3 374.360 2.883 20 30 FFEDHM COCc1c2ccccc2oc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737015866 598920824 /nfs/dbraw/zinc/92/08/24/598920824.db2.gz GUOSQTCBVGSKIH-UHFFFAOYSA-N -1 3 374.360 2.883 20 30 FFEDHM N#Cc1ccc(NC(=O)CCSc2ccccc2)cc1-c1nnn[n-]1 ZINC000737716617 598921067 /nfs/dbraw/zinc/92/10/67/598921067.db2.gz STJFQIUGPLJKQY-UHFFFAOYSA-N -1 3 350.407 2.859 20 30 FFEDHM N#Cc1ccc(NC(=O)CCSc2ccccc2)cc1-c1nn[n-]n1 ZINC000737716617 598921068 /nfs/dbraw/zinc/92/10/68/598921068.db2.gz STJFQIUGPLJKQY-UHFFFAOYSA-N -1 3 350.407 2.859 20 30 FFEDHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737140457 598926174 /nfs/dbraw/zinc/92/61/74/598926174.db2.gz DIJHSRGFPZNFOJ-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737140457 598926176 /nfs/dbraw/zinc/92/61/76/598926176.db2.gz DIJHSRGFPZNFOJ-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1-c1nnn[n-]1 ZINC000737718234 598927311 /nfs/dbraw/zinc/92/73/11/598927311.db2.gz GHWAVEUAISZOEM-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1-c1nn[n-]n1 ZINC000737718234 598927312 /nfs/dbraw/zinc/92/73/12/598927312.db2.gz GHWAVEUAISZOEM-UHFFFAOYSA-N -1 3 355.361 2.781 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000736182274 598969895 /nfs/dbraw/zinc/96/98/95/598969895.db2.gz CSZFNDCFLZNEKL-ORAYPTAESA-N -1 3 368.441 2.613 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000736182274 598969896 /nfs/dbraw/zinc/96/98/96/598969896.db2.gz CSZFNDCFLZNEKL-ORAYPTAESA-N -1 3 368.441 2.613 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1cccnc1 ZINC000735420378 599026293 /nfs/dbraw/zinc/02/62/93/599026293.db2.gz PDWVHIZNEJAVSJ-OAHLLOKOSA-N -1 3 362.437 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1cccnc1 ZINC000735420378 599026295 /nfs/dbraw/zinc/02/62/95/599026295.db2.gz PDWVHIZNEJAVSJ-OAHLLOKOSA-N -1 3 362.437 2.970 20 30 FFEDHM N#C[C@H](COC(=O)c1sccc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000737674731 599027374 /nfs/dbraw/zinc/02/73/74/599027374.db2.gz LJMWJAPAJDNOFN-LLVKDONJSA-N -1 3 357.370 2.607 20 30 FFEDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000736194191 599109121 /nfs/dbraw/zinc/10/91/21/599109121.db2.gz XLASTELLAOAHBF-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(C#N)c1 ZINC000736194191 599109123 /nfs/dbraw/zinc/10/91/23/599109123.db2.gz XLASTELLAOAHBF-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM FC(F)Oc1cc2c(cc1C=NNc1ccc(-c3nn[n-]n3)cc1)OCO2 ZINC000737638144 599129096 /nfs/dbraw/zinc/12/90/96/599129096.db2.gz FAQSCZIUMBXIJG-UHFFFAOYSA-N -1 3 374.307 2.643 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737718210 599195082 /nfs/dbraw/zinc/19/50/82/599195082.db2.gz FXUBLBBDDQTGEZ-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737718210 599195084 /nfs/dbraw/zinc/19/50/84/599195084.db2.gz FXUBLBBDDQTGEZ-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819858142 607323560 /nfs/dbraw/zinc/32/35/60/607323560.db2.gz ZSDJDILMGPIWPO-ZDUSSCGKSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819858142 607323561 /nfs/dbraw/zinc/32/35/61/607323561.db2.gz ZSDJDILMGPIWPO-ZDUSSCGKSA-N -1 3 363.377 2.762 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736337201 598239226 /nfs/dbraw/zinc/23/92/26/598239226.db2.gz INUFIUFZOMGWGV-AWEZNQCLSA-N -1 3 370.457 2.812 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736337201 598239227 /nfs/dbraw/zinc/23/92/27/598239227.db2.gz INUFIUFZOMGWGV-AWEZNQCLSA-N -1 3 370.457 2.812 20 30 FFEDHM CC(C)(C)CN(CCC#N)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735602366 598243630 /nfs/dbraw/zinc/24/36/30/598243630.db2.gz NGPSRIKYVMZPHT-UHFFFAOYSA-N -1 3 364.457 2.949 20 30 FFEDHM CC(C)(C)CN(CCC#N)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735602366 598243631 /nfs/dbraw/zinc/24/36/31/598243631.db2.gz NGPSRIKYVMZPHT-UHFFFAOYSA-N -1 3 364.457 2.949 20 30 FFEDHM Cc1nn(C)c(C)c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737511494 598314754 /nfs/dbraw/zinc/31/47/54/598314754.db2.gz SHSLXWWSERERJT-UHFFFAOYSA-N -1 3 364.335 2.682 20 30 FFEDHM Cc1nn(C)c(C)c1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737511494 598314756 /nfs/dbraw/zinc/31/47/56/598314756.db2.gz SHSLXWWSERERJT-UHFFFAOYSA-N -1 3 364.335 2.682 20 30 FFEDHM C#CCOc1cccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735381193 598414071 /nfs/dbraw/zinc/41/40/71/598414071.db2.gz QQDLMWULBCIBFG-ZHACJKMWSA-N -1 3 360.373 2.635 20 30 FFEDHM C#CCOc1cccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735381193 598414072 /nfs/dbraw/zinc/41/40/72/598414072.db2.gz QQDLMWULBCIBFG-ZHACJKMWSA-N -1 3 360.373 2.635 20 30 FFEDHM N#CCCCOc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737688038 598499231 /nfs/dbraw/zinc/49/92/31/598499231.db2.gz YRRNZPNCMOGYDB-UHFFFAOYSA-N -1 3 366.341 2.596 20 30 FFEDHM N#CCCCOc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737688038 598499233 /nfs/dbraw/zinc/49/92/33/598499233.db2.gz YRRNZPNCMOGYDB-UHFFFAOYSA-N -1 3 366.341 2.596 20 30 FFEDHM C#CCOc1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380665 598513679 /nfs/dbraw/zinc/51/36/79/598513679.db2.gz KXZSIKXICKKUKI-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM C#CCOc1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380665 598513680 /nfs/dbraw/zinc/51/36/80/598513680.db2.gz KXZSIKXICKKUKI-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM Cc1cc(C(=O)N(C)C[C@H](C)C#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227021 598612039 /nfs/dbraw/zinc/61/20/39/598612039.db2.gz HCYZFCROSAIKJS-GFCCVEGCSA-N -1 3 363.425 2.506 20 30 FFEDHM COc1c(O)cccc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737026440 598638881 /nfs/dbraw/zinc/63/88/81/598638881.db2.gz SPKPAMFUHNJSMJ-HJWRWDBZSA-N -1 3 365.393 2.533 20 30 FFEDHM COc1c(O)cccc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737026440 598638883 /nfs/dbraw/zinc/63/88/83/598638883.db2.gz SPKPAMFUHNJSMJ-HJWRWDBZSA-N -1 3 365.393 2.533 20 30 FFEDHM COc1ccccc1C=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737147495 598698653 /nfs/dbraw/zinc/69/86/53/598698653.db2.gz LWVLPPOZKUWETK-UHFFFAOYSA-N -1 3 353.382 2.695 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736187331 598761997 /nfs/dbraw/zinc/76/19/97/598761997.db2.gz IFDVUMGAELYJPB-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736187331 598762000 /nfs/dbraw/zinc/76/20/00/598762000.db2.gz IFDVUMGAELYJPB-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM N#Cc1ccccc1N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737727089 598796817 /nfs/dbraw/zinc/79/68/17/598796817.db2.gz DWENKRRJTSQMGE-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM N#Cc1ccccc1N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000737727089 598796818 /nfs/dbraw/zinc/79/68/18/598796818.db2.gz DWENKRRJTSQMGE-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM N#Cc1c(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cn2ccccc12 ZINC000737705348 598802651 /nfs/dbraw/zinc/80/26/51/598802651.db2.gz OFGFIEVXSSNEJT-UHFFFAOYSA-N -1 3 366.388 2.903 20 30 FFEDHM N#Cc1c(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cn2ccccc12 ZINC000737705348 598802654 /nfs/dbraw/zinc/80/26/54/598802654.db2.gz OFGFIEVXSSNEJT-UHFFFAOYSA-N -1 3 366.388 2.903 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000735418152 598802980 /nfs/dbraw/zinc/80/29/80/598802980.db2.gz CLWQXRVLBFFEMO-MAUKXSAKSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000735418152 598802982 /nfs/dbraw/zinc/80/29/82/598802982.db2.gz CLWQXRVLBFFEMO-MAUKXSAKSA-N -1 3 369.469 2.977 20 30 FFEDHM S=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)Nc1ccccc1 ZINC000823731660 599333585 /nfs/dbraw/zinc/33/35/85/599333585.db2.gz AVFOAFUUZGHQIU-UHFFFAOYSA-N -1 3 363.450 2.894 20 30 FFEDHM S=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)Nc1ccccc1 ZINC000823731660 599333587 /nfs/dbraw/zinc/33/35/87/599333587.db2.gz AVFOAFUUZGHQIU-UHFFFAOYSA-N -1 3 363.450 2.894 20 30 FFEDHM Cc1ccccc1C=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822352467 599383152 /nfs/dbraw/zinc/38/31/52/599383152.db2.gz ZZBJTVAJFSUMGN-UHFFFAOYSA-N -1 3 361.365 2.776 20 30 FFEDHM Cc1ccccc1C=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822352467 599383155 /nfs/dbraw/zinc/38/31/55/599383155.db2.gz ZZBJTVAJFSUMGN-UHFFFAOYSA-N -1 3 361.365 2.776 20 30 FFEDHM Cc1ccc(C=NOCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822233130 599383543 /nfs/dbraw/zinc/38/35/43/599383543.db2.gz INOUKEHSTZAVAY-UHFFFAOYSA-N -1 3 361.365 2.776 20 30 FFEDHM Cc1ccc(C=NOCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822233130 599383544 /nfs/dbraw/zinc/38/35/44/599383544.db2.gz INOUKEHSTZAVAY-UHFFFAOYSA-N -1 3 361.365 2.776 20 30 FFEDHM Cc1cc(C#N)ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822162087 599384903 /nfs/dbraw/zinc/38/49/03/599384903.db2.gz YBMPWPILOMMCHB-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM Cc1cc(C#N)ccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822162087 599384906 /nfs/dbraw/zinc/38/49/06/599384906.db2.gz YBMPWPILOMMCHB-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM Cc1nc2sccn2c1C=NOCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822466936 599387141 /nfs/dbraw/zinc/38/71/41/599387141.db2.gz GBHWRGVPZFXLSD-UHFFFAOYSA-N -1 3 357.374 2.574 20 30 FFEDHM Cc1nc2sccn2c1C=NOCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822466936 599387143 /nfs/dbraw/zinc/38/71/43/599387143.db2.gz GBHWRGVPZFXLSD-UHFFFAOYSA-N -1 3 357.374 2.574 20 30 FFEDHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820341603 599476087 /nfs/dbraw/zinc/47/60/87/599476087.db2.gz QNUDCAGKZKFTEF-ZDUSSCGKSA-N -1 3 361.409 2.641 20 30 FFEDHM C[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820341603 599476090 /nfs/dbraw/zinc/47/60/90/599476090.db2.gz QNUDCAGKZKFTEF-ZDUSSCGKSA-N -1 3 361.409 2.641 20 30 FFEDHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)[C@@H](C)C#N ZINC000737278962 599495517 /nfs/dbraw/zinc/49/55/17/599495517.db2.gz GNDXNLSDJJHVMR-ZDUSSCGKSA-N -1 3 362.393 2.852 20 30 FFEDHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)[C@@H](C)C#N ZINC000737278962 599495520 /nfs/dbraw/zinc/49/55/20/599495520.db2.gz GNDXNLSDJJHVMR-ZDUSSCGKSA-N -1 3 362.393 2.852 20 30 FFEDHM N#Cc1ccc(NCCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)nc1 ZINC000737719530 599522010 /nfs/dbraw/zinc/52/20/10/599522010.db2.gz RESUNURHGJQQTO-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1-c1nnn[n-]1 ZINC000822829915 599631389 /nfs/dbraw/zinc/63/13/89/599631389.db2.gz OVQGZOWRRKDNGG-CQSZACIVSA-N -1 3 368.447 2.769 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1-c1nn[n-]n1 ZINC000822829915 599631390 /nfs/dbraw/zinc/63/13/90/599631390.db2.gz OVQGZOWRRKDNGG-CQSZACIVSA-N -1 3 368.447 2.769 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cncc(C)c1 ZINC000819743425 607393122 /nfs/dbraw/zinc/39/31/22/607393122.db2.gz JJMOXAUFKRFPSV-BQYQJAHWSA-N -1 3 360.421 2.798 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cncc(C)c1 ZINC000819743425 607393124 /nfs/dbraw/zinc/39/31/24/607393124.db2.gz JJMOXAUFKRFPSV-BQYQJAHWSA-N -1 3 360.421 2.798 20 30 FFEDHM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825493474 607782772 /nfs/dbraw/zinc/78/27/72/607782772.db2.gz LVADQQNNGWACDG-LLVKDONJSA-N -1 3 364.356 2.633 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000826386483 607393718 /nfs/dbraw/zinc/39/37/18/607393718.db2.gz HAJMIWXIHOSQQW-UHFFFAOYSA-N -1 3 363.356 2.688 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000826386483 607393720 /nfs/dbraw/zinc/39/37/20/607393720.db2.gz HAJMIWXIHOSQQW-UHFFFAOYSA-N -1 3 363.356 2.688 20 30 FFEDHM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825493474 607782773 /nfs/dbraw/zinc/78/27/73/607782773.db2.gz LVADQQNNGWACDG-LLVKDONJSA-N -1 3 364.356 2.633 20 30 FFEDHM N#CC(C(=O)CCCNC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000739074753 599798865 /nfs/dbraw/zinc/79/88/65/599798865.db2.gz LOUCAUBIQLNVEJ-LLVKDONJSA-N -1 3 358.181 2.689 20 30 FFEDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826316238 607432567 /nfs/dbraw/zinc/43/25/67/607432567.db2.gz IHVSPYXPOGZMQD-KGLIPLIRSA-N -1 3 350.407 2.851 20 30 FFEDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826316238 607432568 /nfs/dbraw/zinc/43/25/68/607432568.db2.gz IHVSPYXPOGZMQD-KGLIPLIRSA-N -1 3 350.407 2.851 20 30 FFEDHM C=CC1CCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000736096372 600327647 /nfs/dbraw/zinc/32/76/47/600327647.db2.gz MHCKXJZPDJYKLA-SFHVURJKSA-N -1 3 355.438 2.619 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000830518640 601385124 /nfs/dbraw/zinc/38/51/24/601385124.db2.gz GWHONVIBZGKXOG-HZPDHXFCSA-N -1 3 359.426 2.625 20 30 FFEDHM COc1ccc(C=C2Cc3c(c(F)ccc3F)C2=O)cc1-c1nnn[n-]1 ZINC000826191110 607529498 /nfs/dbraw/zinc/52/94/98/607529498.db2.gz XIZDJTVJEOZBKI-UXBLZVDNSA-N -1 3 354.316 2.976 20 30 FFEDHM COc1ccc(C=C2Cc3c(c(F)ccc3F)C2=O)cc1-c1nn[n-]n1 ZINC000826191110 607529499 /nfs/dbraw/zinc/52/94/99/607529499.db2.gz XIZDJTVJEOZBKI-UXBLZVDNSA-N -1 3 354.316 2.976 20 30 FFEDHM CCOc1ccc(C#N)cc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825632671 607549098 /nfs/dbraw/zinc/54/90/98/607549098.db2.gz ZIJGMUFPUXPUPM-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM CCOc1ccc(C#N)cc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825632671 607549100 /nfs/dbraw/zinc/54/91/00/607549100.db2.gz ZIJGMUFPUXPUPM-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM COc1ccc(CNc2nc3ccccc3cc2C#N)cc1-c1nnn[n-]1 ZINC000826204345 607560795 /nfs/dbraw/zinc/56/07/95/607560795.db2.gz HSNJYOHFBYUXES-UHFFFAOYSA-N -1 3 357.377 2.907 20 30 FFEDHM COc1ccc(CNc2nc3ccccc3cc2C#N)cc1-c1nn[n-]n1 ZINC000826204345 607560797 /nfs/dbraw/zinc/56/07/97/607560797.db2.gz HSNJYOHFBYUXES-UHFFFAOYSA-N -1 3 357.377 2.907 20 30 FFEDHM CN(C(=O)[O-])C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000737939135 602530121 /nfs/dbraw/zinc/53/01/21/602530121.db2.gz MCFTWZANVRGXEF-ZDUSSCGKSA-N -1 3 372.450 2.547 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826180353 607645449 /nfs/dbraw/zinc/64/54/49/607645449.db2.gz DDWDLBIMOJIGFZ-QPJJXVBHSA-N -1 3 369.406 2.791 20 30 FFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1(C(=O)[O-])CCCC1 ZINC000830661073 604460705 /nfs/dbraw/zinc/46/07/05/604460705.db2.gz OQURXTNCVVBWLP-LBPRGKRZSA-N -1 3 357.435 2.802 20 30 FFEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000833418821 604929354 /nfs/dbraw/zinc/92/93/54/604929354.db2.gz BKITWJOHHQXDKK-HNNXBMFYSA-N -1 3 354.410 2.931 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833941387 605948260 /nfs/dbraw/zinc/94/82/60/605948260.db2.gz ZSLOWJJMPNAYPE-OLZOCXBDSA-N -1 3 352.394 2.530 20 30 FFEDHM CC(C)(C)c1ncsc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000819971634 606148986 /nfs/dbraw/zinc/14/89/86/606148986.db2.gz PFCVCAZZNRJKCX-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM CC(C)(C)c1ncsc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000819971634 606148988 /nfs/dbraw/zinc/14/89/88/606148988.db2.gz PFCVCAZZNRJKCX-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM O=C1c2ccc(F)cc2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823505201 606155263 /nfs/dbraw/zinc/15/52/63/606155263.db2.gz ZANHOHUEMUDORV-XYOKQWHBSA-N -1 3 360.352 2.866 20 30 FFEDHM O=C1c2ccc(F)cc2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000823505201 606155264 /nfs/dbraw/zinc/15/52/64/606155264.db2.gz ZANHOHUEMUDORV-XYOKQWHBSA-N -1 3 360.352 2.866 20 30 FFEDHM Brc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)nc1 ZINC000819689111 606205172 /nfs/dbraw/zinc/20/51/72/606205172.db2.gz VAJWLMIWJAWIDZ-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822842298 606222082 /nfs/dbraw/zinc/22/20/82/606222082.db2.gz AWGPCELCGFAZBH-UHFFFAOYSA-N -1 3 361.796 2.974 20 30 FFEDHM N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822842298 606222083 /nfs/dbraw/zinc/22/20/83/606222083.db2.gz AWGPCELCGFAZBH-UHFFFAOYSA-N -1 3 361.796 2.974 20 30 FFEDHM COc1cccc(C(C)=CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000821860025 606254984 /nfs/dbraw/zinc/25/49/84/606254984.db2.gz WHZMYLGUKBHIMF-WQLSENKSSA-N -1 3 360.377 2.789 20 30 FFEDHM COc1cccc(C(C)=CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000821860025 606254985 /nfs/dbraw/zinc/25/49/85/606254985.db2.gz WHZMYLGUKBHIMF-WQLSENKSSA-N -1 3 360.377 2.789 20 30 FFEDHM C=CCCCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000819734344 606322616 /nfs/dbraw/zinc/32/26/16/606322616.db2.gz MKUCJYKYGBKXAT-UHFFFAOYSA-N -1 3 351.414 2.964 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822801129 606445162 /nfs/dbraw/zinc/44/51/62/606445162.db2.gz FBZCSMNTNDISMQ-QZTJIDSGSA-N -1 3 358.405 2.779 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801129 606445163 /nfs/dbraw/zinc/44/51/63/606445163.db2.gz FBZCSMNTNDISMQ-QZTJIDSGSA-N -1 3 358.405 2.779 20 30 FFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822826046 606557732 /nfs/dbraw/zinc/55/77/32/606557732.db2.gz SNZVPKGHMIBNTB-UHFFFAOYSA-N -1 3 371.303 2.697 20 30 FFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822826046 606557733 /nfs/dbraw/zinc/55/77/33/606557733.db2.gz SNZVPKGHMIBNTB-UHFFFAOYSA-N -1 3 371.303 2.697 20 30 FFEDHM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819844699 606833852 /nfs/dbraw/zinc/83/38/52/606833852.db2.gz KWAICAIKNYKOGB-GFCCVEGCSA-N -1 3 363.381 2.940 20 30 FFEDHM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819844699 606833854 /nfs/dbraw/zinc/83/38/54/606833854.db2.gz KWAICAIKNYKOGB-GFCCVEGCSA-N -1 3 363.381 2.940 20 30 FFEDHM CCOCCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCC1 ZINC000821373666 606959145 /nfs/dbraw/zinc/95/91/45/606959145.db2.gz KICJMBXDHXKPPI-UHFFFAOYSA-N -1 3 354.414 2.664 20 30 FFEDHM CCOCCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCC1 ZINC000821373666 606959147 /nfs/dbraw/zinc/95/91/47/606959147.db2.gz KICJMBXDHXKPPI-UHFFFAOYSA-N -1 3 354.414 2.664 20 30 FFEDHM C(=NNCCCOc1ccccc1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819719119 607148178 /nfs/dbraw/zinc/14/81/78/607148178.db2.gz ZWUKDBYCPILMCC-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM C(=NNCCCOc1ccccc1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819719119 607148180 /nfs/dbraw/zinc/14/81/80/607148180.db2.gz ZWUKDBYCPILMCC-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM CCOc1ccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825643443 607882097 /nfs/dbraw/zinc/88/20/97/607882097.db2.gz OBBOOFDIMQFATQ-UHFFFAOYSA-N -1 3 367.438 2.586 20 30 FFEDHM CCOc1ccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825643443 607882098 /nfs/dbraw/zinc/88/20/98/607882098.db2.gz OBBOOFDIMQFATQ-UHFFFAOYSA-N -1 3 367.438 2.586 20 30 FFEDHM Fc1cccc(F)c1-c1n[nH]cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826377585 607886353 /nfs/dbraw/zinc/88/63/53/607886353.db2.gz XVMDUHLHMLLETB-UHFFFAOYSA-N -1 3 366.335 2.981 20 30 FFEDHM Fc1cccc(F)c1-c1n[nH]cc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826377585 607886354 /nfs/dbraw/zinc/88/63/54/607886354.db2.gz XVMDUHLHMLLETB-UHFFFAOYSA-N -1 3 366.335 2.981 20 30 FFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)OCCO2 ZINC000826400932 607916149 /nfs/dbraw/zinc/91/61/49/607916149.db2.gz LFPXOHYBFVXFAO-DJWKRKHSSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC000826400932 607916150 /nfs/dbraw/zinc/91/61/50/607916150.db2.gz LFPXOHYBFVXFAO-DJWKRKHSSA-N -1 3 352.325 2.673 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ncc(Br)s1 ZINC000823958807 607930820 /nfs/dbraw/zinc/93/08/20/607930820.db2.gz XOKUTBLHBGXQHY-UHFFFAOYSA-N -1 3 364.232 2.922 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823849927 607966159 /nfs/dbraw/zinc/96/61/59/607966159.db2.gz CYCLHFBSZPXJGY-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823849927 607966160 /nfs/dbraw/zinc/96/61/60/607966160.db2.gz CYCLHFBSZPXJGY-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM C[C@@]1(C#N)CCCN(Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824778482 608125872 /nfs/dbraw/zinc/12/58/72/608125872.db2.gz PWQJELPJAPDWOX-HNNXBMFYSA-N -1 3 361.247 2.755 20 30 FFEDHM C[C@@]1(C#N)CCCN(Cc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824778482 608125873 /nfs/dbraw/zinc/12/58/73/608125873.db2.gz PWQJELPJAPDWOX-HNNXBMFYSA-N -1 3 361.247 2.755 20 30 FFEDHM CCOc1ccccc1C=NOCc1cc(-c2nnn[n-]2)ccc1OC ZINC000825653993 608150327 /nfs/dbraw/zinc/15/03/27/608150327.db2.gz MGVFZMUKHWUILJ-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM CCOc1ccccc1C=NOCc1cc(-c2nn[n-]n2)ccc1OC ZINC000825653993 608150331 /nfs/dbraw/zinc/15/03/31/608150331.db2.gz MGVFZMUKHWUILJ-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1COc1c(Cl)cc(C#N)cc1OC ZINC000826184931 608150834 /nfs/dbraw/zinc/15/08/34/608150834.db2.gz QTNRJOYDKUQZKW-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1COc1c(Cl)cc(C#N)cc1OC ZINC000826184931 608150836 /nfs/dbraw/zinc/15/08/36/608150836.db2.gz QTNRJOYDKUQZKW-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM CSc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1F ZINC000826229590 608308208 /nfs/dbraw/zinc/30/82/08/608308208.db2.gz JWIVSLSMUIFSQI-UHFFFAOYSA-N -1 3 354.370 2.852 20 30 FFEDHM CSc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1F ZINC000826229590 608308210 /nfs/dbraw/zinc/30/82/10/608308210.db2.gz JWIVSLSMUIFSQI-UHFFFAOYSA-N -1 3 354.370 2.852 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc(-n3ccnc3)cc2)n1 ZINC000826350057 608539125 /nfs/dbraw/zinc/53/91/25/608539125.db2.gz GLECVBIMTMYIKU-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc(-n3ccnc3)cc2)n1 ZINC000826350057 608539127 /nfs/dbraw/zinc/53/91/27/608539127.db2.gz GLECVBIMTMYIKU-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM C=CCCCN(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823894246 609359921 /nfs/dbraw/zinc/35/99/21/609359921.db2.gz LJORPDUZTRCUJQ-UHFFFAOYSA-N -1 3 370.392 2.621 20 30 FFEDHM C=CCN(CCc1ccco1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000823903711 609409592 /nfs/dbraw/zinc/40/95/92/609409592.db2.gz IDTGZUXEABHEOB-UHFFFAOYSA-N -1 3 354.439 2.887 20 30 FFEDHM C=CCN(CCc1ccco1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000823903711 609409593 /nfs/dbraw/zinc/40/95/93/609409593.db2.gz IDTGZUXEABHEOB-UHFFFAOYSA-N -1 3 354.439 2.887 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824035246 609456293 /nfs/dbraw/zinc/45/62/93/609456293.db2.gz VADGIQSZCWJPDV-JTQLQIEISA-N -1 3 353.411 2.699 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824035246 609456296 /nfs/dbraw/zinc/45/62/96/609456296.db2.gz VADGIQSZCWJPDV-JTQLQIEISA-N -1 3 353.411 2.699 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)ccc1-c1nnn[n-]1 ZINC000826384287 609586094 /nfs/dbraw/zinc/58/60/94/609586094.db2.gz OVNQXOREKFBIIT-HNNXBMFYSA-N -1 3 374.404 2.885 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)ccc1-c1nn[n-]n1 ZINC000826384287 609586096 /nfs/dbraw/zinc/58/60/96/609586096.db2.gz OVNQXOREKFBIIT-HNNXBMFYSA-N -1 3 374.404 2.885 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824034452 609625048 /nfs/dbraw/zinc/62/50/48/609625048.db2.gz JYZFGNALHQMMQE-OEYXZAGESA-N -1 3 360.377 2.809 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824034452 609625049 /nfs/dbraw/zinc/62/50/49/609625049.db2.gz JYZFGNALHQMMQE-OEYXZAGESA-N -1 3 360.377 2.809 20 30 FFEDHM COC(=O)C[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1cccc(Cl)c1 ZINC000743501905 735302133 /nfs/dbraw/zinc/30/21/33/735302133.db2.gz SUOMKTGUBIOTBD-MSGYXIIISA-N -1 3 362.813 2.965 20 30 FFEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)NCc1ccco1 ZINC000743537866 735304055 /nfs/dbraw/zinc/30/40/55/735304055.db2.gz BYENUJKMHATBEE-QBHXNYKNSA-N -1 3 351.200 2.872 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)ccc1F ZINC000029051607 727890418 /nfs/dbraw/zinc/89/04/18/727890418.db2.gz DBGLFKVKQPUJMM-UHFFFAOYSA-N -1 3 364.398 2.551 20 30 FFEDHM Cc1cc(C)c(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000746491955 735487681 /nfs/dbraw/zinc/48/76/81/735487681.db2.gz PZCLKXINKOYMOG-UHFFFAOYSA-N -1 3 361.423 2.974 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000108250682 728520757 /nfs/dbraw/zinc/52/07/57/728520757.db2.gz ZRGNFBXXBGSUED-UHFFFAOYSA-N -1 3 355.371 2.606 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCCC3)C2)ccc1F ZINC000173749983 729053630 /nfs/dbraw/zinc/05/36/30/729053630.db2.gz WHIPCTDVNNVKAN-UHFFFAOYSA-N -1 3 366.458 2.696 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@@H]2CC)ccc1F ZINC000187429264 729375946 /nfs/dbraw/zinc/37/59/46/729375946.db2.gz YUPJJEDIENESGC-DOMZBBRYSA-N -1 3 354.447 2.551 20 30 FFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000859424665 730454345 /nfs/dbraw/zinc/45/43/45/730454345.db2.gz VGGVCLROJPVCKN-SNVBAGLBSA-N -1 3 366.302 2.526 20 30 FFEDHM C[C@H](C#N)Oc1ccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000877775553 732427811 /nfs/dbraw/zinc/42/78/11/732427811.db2.gz NHCZSNHHMWCBHF-WBMJQRKESA-N -1 3 355.360 2.620 20 30 FFEDHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000882847318 733302627 /nfs/dbraw/zinc/30/26/27/733302627.db2.gz GRKPTORGUDWARH-VIFPVBQESA-N -1 3 368.680 2.708 20 30 FFEDHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000882845946 733302943 /nfs/dbraw/zinc/30/29/43/733302943.db2.gz ARJAJMZMABANTF-SECBINFHSA-N -1 3 368.680 2.708 20 30 FFEDHM C=CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000684659730 734257522 /nfs/dbraw/zinc/25/75/22/734257522.db2.gz OURCSKWFNFQVHU-UHFFFAOYSA-N -1 3 354.653 2.583 20 30 FFEDHM N#CCn1cc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)cn1 ZINC000727359978 734479840 /nfs/dbraw/zinc/47/98/40/734479840.db2.gz WLISVORFGUADOM-YVMONPNESA-N -1 3 367.228 2.582 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(C)(C)C)ccc1F ZINC000729402735 734575000 /nfs/dbraw/zinc/57/50/00/734575000.db2.gz WRVVHLHJTDWXSX-MRXNPFEDSA-N -1 3 368.474 2.941 20 30 FFEDHM N#C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000928222976 738842507 /nfs/dbraw/zinc/84/25/07/738842507.db2.gz UTVIUTCPDQQVCW-JTQLQIEISA-N -1 3 360.211 2.666 20 30 FFEDHM C#CCC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000733322624 734808934 /nfs/dbraw/zinc/80/89/34/734808934.db2.gz VHJOZBMKJVKZBU-UHFFFAOYSA-N -1 3 371.281 2.874 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2C)ccc1F ZINC000733943716 734861709 /nfs/dbraw/zinc/86/17/09/734861709.db2.gz VCCZVAMHBBZEFI-CYBMUJFWSA-N -1 3 354.447 2.695 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000734303185 734888362 /nfs/dbraw/zinc/88/83/62/734888362.db2.gz GPRJTQJAZPSHLI-FBCYGCLPSA-N -1 3 358.785 2.910 20 30 FFEDHM Cc1cscc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000748089176 735616866 /nfs/dbraw/zinc/61/68/66/735616866.db2.gz RQWUZPHPRIAALX-LLVKDONJSA-N -1 3 363.464 2.512 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])nc1 ZINC000748309324 735634706 /nfs/dbraw/zinc/63/47/06/735634706.db2.gz MUGVUVLEFLNFMH-UHFFFAOYSA-N -1 3 364.142 2.625 20 30 FFEDHM CSCC[C@@H](NC(=O)c1ccco1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376195 735772076 /nfs/dbraw/zinc/77/20/76/735772076.db2.gz QEGPYLKFHRLQNH-CQSZACIVSA-N -1 3 366.414 2.688 20 30 FFEDHM Cn1nnc2c1nccc2C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379296 735772304 /nfs/dbraw/zinc/77/23/04/735772304.db2.gz UMGWWKRVJHPBHE-UHFFFAOYSA-N -1 3 352.181 2.702 20 30 FFEDHM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC000901660266 735814082 /nfs/dbraw/zinc/81/40/82/735814082.db2.gz AEZLPXXZXJDTHC-UHFFFAOYSA-N -1 3 358.419 2.721 20 30 FFEDHM C#CC[C@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)C1CC1 ZINC000750781371 735814906 /nfs/dbraw/zinc/81/49/06/735814906.db2.gz UXUJZFAZZGWAHQ-KRWDZBQOSA-N -1 3 365.451 2.561 20 30 FFEDHM CCc1ncc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)s1 ZINC000752165137 735962464 /nfs/dbraw/zinc/96/24/64/735962464.db2.gz ZLBCAYZSNBHZCY-ZDUSSCGKSA-N -1 3 373.463 2.980 20 30 FFEDHM O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCCN3CCSC[C@@H]23)c1[O-] ZINC000905001465 736284978 /nfs/dbraw/zinc/28/49/78/736284978.db2.gz AKVGFOSJHLYCEU-PJHZIYRWSA-N -1 3 355.847 2.953 20 30 FFEDHM C=C(C)[C@H](C)OC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000756006979 736298722 /nfs/dbraw/zinc/29/87/22/736298722.db2.gz RMVPBQFMUYKPCU-DZGCQCFKSA-N -1 3 364.467 2.792 20 30 FFEDHM N#Cc1ccc(Oc2ccc(NC(=O)[N-]OCC(N)=O)cc2Cl)cc1 ZINC000756166167 736312386 /nfs/dbraw/zinc/31/23/86/736312386.db2.gz VZNRNIDZWPHDSE-UHFFFAOYSA-N -1 3 360.757 2.542 20 30 FFEDHM CCOC(=O)c1sc([C@@H](C)/N=C\c2c(CO)cnc(C)c2[O-])nc1C ZINC000756776261 736360761 /nfs/dbraw/zinc/36/07/61/736360761.db2.gz UVLMRXMPNNBWKV-DPRYBBTMSA-N -1 3 363.439 2.710 20 30 FFEDHM C#C[C@@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760873463 736676284 /nfs/dbraw/zinc/67/62/84/736676284.db2.gz MQTACJPWVAEAIH-SSDOTTSWSA-N -1 3 353.603 2.696 20 30 FFEDHM N#Cc1cccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000761229952 736710092 /nfs/dbraw/zinc/71/00/92/736710092.db2.gz WGRZABFELQHOSC-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM CCCC[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000763534422 736945795 /nfs/dbraw/zinc/94/57/95/736945795.db2.gz BSVGZAXRGKCABL-OLZOCXBDSA-N -1 3 352.456 2.626 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c(Cl)n2)c1 ZINC000766841483 737268198 /nfs/dbraw/zinc/26/81/98/737268198.db2.gz SQMKSXDLCYYTFL-GFCCVEGCSA-N -1 3 359.769 2.713 20 30 FFEDHM COc1cc(C=NNC(=S)N[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000767032125 737285445 /nfs/dbraw/zinc/28/54/45/737285445.db2.gz ANCJSKNCPZDWFO-ZYHUDNBSSA-N -1 3 366.443 2.686 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1F ZINC000914466149 737580197 /nfs/dbraw/zinc/58/01/97/737580197.db2.gz FQCJAAJVYRZSNJ-UHFFFAOYSA-N -1 3 369.805 2.591 20 30 FFEDHM [O-]c1ccc(CN=Nc2ccc(-n3cccn3)nn2)cc1Br ZINC000915972724 737668443 /nfs/dbraw/zinc/66/84/43/737668443.db2.gz SQTDQKYKDRKGHE-UHFFFAOYSA-N -1 3 359.187 2.576 20 30 FFEDHM COc1cc(C=NN2C(=S)N=NC2[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000916367294 737698667 /nfs/dbraw/zinc/69/86/67/737698667.db2.gz YHPPUAIJXFHWGS-SNVBAGLBSA-N -1 3 354.819 2.668 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1C ZINC000917520858 737762026 /nfs/dbraw/zinc/76/20/26/737762026.db2.gz WNSIKLQUJIEBBV-JTQLQIEISA-N -1 3 351.193 2.997 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCC1 ZINC000922046634 738084162 /nfs/dbraw/zinc/08/41/62/738084162.db2.gz KTNCIMDLRQQVDF-UHFFFAOYSA-N -1 3 358.822 2.662 20 30 FFEDHM N#Cc1cnc2c(F)ccc(F)c2c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000775541605 738100301 /nfs/dbraw/zinc/10/03/01/738100301.db2.gz CYMJFPKITMJZJV-UHFFFAOYSA-N -1 3 354.242 2.556 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)cc1 ZINC000777624834 738306806 /nfs/dbraw/zinc/30/68/06/738306806.db2.gz GVFWNFKKXSJKQJ-UHFFFAOYSA-N -1 3 360.391 2.678 20 30 FFEDHM CCc1noc(C2CCC(=N[N-]S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000778539397 738392436 /nfs/dbraw/zinc/39/24/36/738392436.db2.gz BPAGMNUHQWODEM-UHFFFAOYSA-N -1 3 362.455 2.765 20 30 FFEDHM C#Cc1cccc(NC(=O)CNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000788289483 739228791 /nfs/dbraw/zinc/22/87/91/739228791.db2.gz WAPQWNJVGPIPSQ-UHFFFAOYSA-N -1 3 350.399 2.957 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ncc(C(F)(F)F)s1 ZINC000788434550 739244481 /nfs/dbraw/zinc/24/44/81/739244481.db2.gz TXVIDQBHUQOBBG-UHFFFAOYSA-N -1 3 363.386 2.658 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)ccc1F ZINC000793410738 739778566 /nfs/dbraw/zinc/77/85/66/739778566.db2.gz HSEZCPRXWVXYAS-INIZCTEOSA-N -1 3 366.458 2.551 20 30 FFEDHM COc1cccc(S(C)(=O)=O)c1NN=Cc1c(F)ccc([O-])c1F ZINC000794534211 739901459 /nfs/dbraw/zinc/90/14/59/739901459.db2.gz FTRMCRJPUUMQCP-UHFFFAOYSA-N -1 3 356.350 2.529 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000797841711 740279397 /nfs/dbraw/zinc/27/93/97/740279397.db2.gz OKAQPOWRSAWBMD-CABZTGNLSA-N -1 3 351.255 2.648 20 30 FFEDHM COc1cccc2c1CCCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000799481120 740421658 /nfs/dbraw/zinc/42/16/58/740421658.db2.gz JRQFDHDMPDKSLL-UHFFFAOYSA-N -1 3 358.463 2.898 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Cc2ccccc2Br)c1 ZINC000811184227 741491439 /nfs/dbraw/zinc/49/14/39/741491439.db2.gz JNPUZSUJCFRYQK-UHFFFAOYSA-N -1 3 374.190 2.995 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000811185002 741491547 /nfs/dbraw/zinc/49/15/47/741491547.db2.gz WPNVZZGUFBOIGZ-INIZCTEOSA-N -1 3 356.765 2.880 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(NN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000812231789 741599174 /nfs/dbraw/zinc/59/91/74/741599174.db2.gz FISBINJESQMTBZ-UHFFFAOYSA-N -1 3 353.831 2.742 20 30 FFEDHM Cc1cc(Cl)cc2c1OCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000814816177 741867439 /nfs/dbraw/zinc/86/74/39/741867439.db2.gz JXRVYNZWCNBTRG-UHFFFAOYSA-N -1 3 350.827 2.865 20 30 FFEDHM N#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000815834887 741964679 /nfs/dbraw/zinc/96/46/79/741964679.db2.gz DSBBUYFOINBHIR-AWEZNQCLSA-N -1 3 359.813 2.905 20 30 FFEDHM Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816755922 742058940 /nfs/dbraw/zinc/05/89/40/742058940.db2.gz LTSIIMUIIPCDGY-LLVKDONJSA-N -1 3 367.199 2.614 20 30 FFEDHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816757082 742059505 /nfs/dbraw/zinc/05/95/05/742059505.db2.gz LJUCXRROELHRCW-VIFPVBQESA-N -1 3 373.356 2.734 20 30 FFEDHM Brc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819689144 742423406 /nfs/dbraw/zinc/42/34/06/742423406.db2.gz WMVAIBGUOLPRLQ-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM Brc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819689144 742423410 /nfs/dbraw/zinc/42/34/10/742423410.db2.gz WMVAIBGUOLPRLQ-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM COc1cccc(S([O-])=CC(=O)OC[C@H](C#N)Cc2cccs2)c1 ZINC000820447376 742506948 /nfs/dbraw/zinc/50/69/48/742506948.db2.gz WUDLDFOVBLZWBT-RKNYENMMSA-N -1 3 363.460 2.790 20 30 FFEDHM C=CCC[C@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000831129776 745486886 /nfs/dbraw/zinc/48/68/86/745486886.db2.gz IKQAKRIIJITHRR-HNNXBMFYSA-N -1 3 354.372 2.873 20 30 FFEDHM CCn1ccc(C([O-])=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)n1 ZINC000842685187 747659491 /nfs/dbraw/zinc/65/94/91/747659491.db2.gz AZWBORBRPTZORT-NSHDSACASA-N -1 3 360.801 2.835 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccccc1I ZINC000846554502 748501319 /nfs/dbraw/zinc/50/13/19/748501319.db2.gz JYCGNLLPSXSRSX-SNVBAGLBSA-N -1 3 361.179 2.682 20 30 FFEDHM C[C@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(F)c(Br)c1 ZINC000848131868 748850154 /nfs/dbraw/zinc/85/01/54/748850154.db2.gz FFPQPOHEXDMCON-NOZJJQNGSA-N -1 3 373.222 2.578 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CCCC1 ZINC000849470059 749170676 /nfs/dbraw/zinc/17/06/76/749170676.db2.gz SDZPSKARIIKWPZ-UHFFFAOYSA-N -1 3 359.394 2.919 20 30 FFEDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000851821948 749689012 /nfs/dbraw/zinc/68/90/12/749689012.db2.gz DCXUISHFYRSOFL-ZWKOTPCHSA-N -1 3 362.426 2.734 20 30 FFEDHM N#CC1(CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000854526701 750325619 /nfs/dbraw/zinc/32/56/19/750325619.db2.gz NXLFCAVBDBSRBV-ZDUSSCGKSA-N -1 3 359.392 2.768 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2O)ccc1F ZINC000045846690 845098807 /nfs/dbraw/zinc/09/88/07/845098807.db2.gz KCIXEILWKRWFDJ-UHFFFAOYSA-N -1 3 364.398 2.556 20 30 FFEDHM N#CC1(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1 ZINC000737679292 945112960 /nfs/dbraw/zinc/11/29/60/945112960.db2.gz PDWJQVJCVISTNX-UHFFFAOYSA-N -1 3 360.377 2.835 20 30 FFEDHM N#CC1(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000737679292 945112962 /nfs/dbraw/zinc/11/29/62/945112962.db2.gz PDWJQVJCVISTNX-UHFFFAOYSA-N -1 3 360.377 2.835 20 30 FFEDHM C#C[C@@H](Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001573280147 946655379 /nfs/dbraw/zinc/65/53/79/946655379.db2.gz NTLQHXJZUZXQAG-CYBMUJFWSA-N -1 3 356.292 2.840 20 30 FFEDHM C#C[C@@H](Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001573280147 946655384 /nfs/dbraw/zinc/65/53/84/946655384.db2.gz NTLQHXJZUZXQAG-CYBMUJFWSA-N -1 3 356.292 2.840 20 30 FFEDHM C=C(Br)CNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573292412 946932743 /nfs/dbraw/zinc/93/27/43/946932743.db2.gz VSAXXHOQMCOOLA-UHFFFAOYSA-N -1 3 363.219 2.774 20 30 FFEDHM C=C(Br)CNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573292412 946932746 /nfs/dbraw/zinc/93/27/46/946932746.db2.gz VSAXXHOQMCOOLA-UHFFFAOYSA-N -1 3 363.219 2.774 20 30 FFEDHM CCOC(=O)[C@@H]([N-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F)[C@@H](C)O ZINC001168039078 971324341 /nfs/dbraw/zinc/32/43/41/971324341.db2.gz HQHRAWWYIPUEFP-KNODYTOMSA-N -1 3 363.229 2.986 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573299982 947101771 /nfs/dbraw/zinc/10/17/71/947101771.db2.gz HTKOHPLRWCPVDT-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573299982 947101777 /nfs/dbraw/zinc/10/17/77/947101777.db2.gz HTKOHPLRWCPVDT-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573334260 947450865 /nfs/dbraw/zinc/45/08/65/947450865.db2.gz LFTBJUPJKRXVAT-DOMZBBRYSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573334260 947450868 /nfs/dbraw/zinc/45/08/68/947450868.db2.gz LFTBJUPJKRXVAT-DOMZBBRYSA-N -1 3 358.421 2.621 20 30 FFEDHM COC[C@H](C#N)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826148069 947474463 /nfs/dbraw/zinc/47/44/63/947474463.db2.gz XRNYPDQMXCIDNN-AWEZNQCLSA-N -1 3 350.382 2.918 20 30 FFEDHM COC[C@H](C#N)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826148069 947474470 /nfs/dbraw/zinc/47/44/70/947474470.db2.gz XRNYPDQMXCIDNN-AWEZNQCLSA-N -1 3 350.382 2.918 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826162736 947510997 /nfs/dbraw/zinc/51/09/97/947510997.db2.gz QBSFGAKBHHCWSH-RUDMXATFSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826162736 947511008 /nfs/dbraw/zinc/51/10/08/947511008.db2.gz QBSFGAKBHHCWSH-RUDMXATFSA-N -1 3 368.368 2.927 20 30 FFEDHM COc1cc2c(c(C=NNc3cccc(-c4nnn[n-]4)c3)c1)O[C@@H](C)C2 ZINC000826178514 947553133 /nfs/dbraw/zinc/55/31/33/947553133.db2.gz AVMDCBPAAMSUCM-NSHDSACASA-N -1 3 350.382 2.645 20 30 FFEDHM COc1cc2c(c(C=NNc3cccc(-c4nn[n-]n4)c3)c1)O[C@@H](C)C2 ZINC000826178514 947553141 /nfs/dbraw/zinc/55/31/41/947553141.db2.gz AVMDCBPAAMSUCM-NSHDSACASA-N -1 3 350.382 2.645 20 30 FFEDHM COc1cc(OC)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826181056 947562032 /nfs/dbraw/zinc/56/20/32/947562032.db2.gz JGGLTPUIXYXTLQ-FPLPWBNLSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1cc(OC)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826181056 947562046 /nfs/dbraw/zinc/56/20/46/947562046.db2.gz JGGLTPUIXYXTLQ-FPLPWBNLSA-N -1 3 366.377 2.789 20 30 FFEDHM O=C(Nc1ccccc1C#Cc1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826457581 948333042 /nfs/dbraw/zinc/33/30/42/948333042.db2.gz HORUHGLVNNBRTH-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM O=C(Nc1ccccc1C#Cc1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826457581 948333045 /nfs/dbraw/zinc/33/30/45/948333045.db2.gz HORUHGLVNNBRTH-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM N#CCCCN1CCC2(CCN(Cc3ccccc3C(=O)[O-])CC2)C1=O ZINC001275903447 1013169512 /nfs/dbraw/zinc/16/95/12/1013169512.db2.gz WRPBJDPWUKGPJB-UHFFFAOYSA-N -1 3 355.438 2.503 20 30 FFEDHM C=C(Cl)CN1CC[C@H](NC(=O)c2nnc3ccccc3c2[O-])[C@H]1CC ZINC001087746363 968857829 /nfs/dbraw/zinc/85/78/29/968857829.db2.gz VQFKWZZXSTUAAP-LSDHHAIUSA-N -1 3 360.845 2.671 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000665395627 970719181 /nfs/dbraw/zinc/71/91/81/970719181.db2.gz OWHJWADWDPNSJN-APWZRJJASA-N -1 3 371.481 2.995 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)c2)c1 ZINC000127084142 972813721 /nfs/dbraw/zinc/81/37/21/972813721.db2.gz JECORFVJAUNWSC-SFHVURJKSA-N -1 3 360.373 2.842 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(OC)cc1[O-] ZINC001271433209 972989847 /nfs/dbraw/zinc/98/98/47/972989847.db2.gz CGTYHJLXVCBULU-FQEVSTJZSA-N -1 3 358.438 2.574 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)c1 ZINC000127182055 974026218 /nfs/dbraw/zinc/02/62/18/974026218.db2.gz UMUQJXUVTKZLHF-QGZVFWFLSA-N -1 3 360.373 2.842 20 30 FFEDHM C=CCC[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000893770678 977547302 /nfs/dbraw/zinc/54/73/02/977547302.db2.gz WQRNKCSPGIJTOB-IRXDYDNUSA-N -1 3 367.453 2.768 20 30 FFEDHM COc1ccc(O)c([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000728984218 978146859 /nfs/dbraw/zinc/14/68/59/978146859.db2.gz NVJBMOREPRHARV-ZDUSSCGKSA-N -1 3 369.421 2.800 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1CC#Cc1ccc(F)cc1 ZINC001088471272 979756929 /nfs/dbraw/zinc/75/69/29/979756929.db2.gz CMFCONXYTPRHRT-BEFAXECRSA-N -1 3 352.409 2.776 20 30 FFEDHM CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001595232920 980128400 /nfs/dbraw/zinc/12/84/00/980128400.db2.gz NFNAKNJNTRJCHL-HZMVEIRTSA-N -1 3 356.422 2.854 20 30 FFEDHM Cc1cc(Cn2nnc(C(=O)N([O-])CCCCc3ccccc3)c2C)on1 ZINC000904195383 980212053 /nfs/dbraw/zinc/21/20/53/980212053.db2.gz FBSBMRWZKPMPEU-UHFFFAOYSA-N -1 3 369.425 2.786 20 30 FFEDHM N#C[C@@]1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC2CCC1CC2 ZINC000908285935 981406556 /nfs/dbraw/zinc/40/65/56/981406556.db2.gz WTKJPHWNUQMIIT-GMUWMPNVSA-N -1 3 371.403 2.624 20 30 FFEDHM Cc1c(C(=O)[O-])cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)n1C ZINC001599985604 986223118 /nfs/dbraw/zinc/22/31/18/986223118.db2.gz PTOGPXJKXITAAB-UHFFFAOYSA-N -1 3 366.465 2.611 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000131660919 986494758 /nfs/dbraw/zinc/49/47/58/986494758.db2.gz FZJBXOYBCQOCMB-HNNXBMFYSA-N -1 3 353.334 2.873 20 30 FFEDHM COc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1CN1CCCCC1 ZINC000916282948 989768883 /nfs/dbraw/zinc/76/88/83/989768883.db2.gz VFHUFHKFIWBNLX-UHFFFAOYSA-N -1 3 370.457 2.716 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000916890155 990012103 /nfs/dbraw/zinc/01/21/03/990012103.db2.gz HPGQZPUVFXQGGE-CQSZACIVSA-N -1 3 369.333 2.573 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccc(F)cc1 ZINC000917509247 990233873 /nfs/dbraw/zinc/23/38/73/990233873.db2.gz PAWXPPJECPUBQN-HNNXBMFYSA-N -1 3 363.352 2.676 20 30 FFEDHM N#Cc1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000810631041 994857561 /nfs/dbraw/zinc/85/75/61/994857561.db2.gz DBHJTXZZEGWDNS-MRXNPFEDSA-N -1 3 370.840 2.707 20 30 FFEDHM Cc1ccc(CN(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)C2CC2)cc1 ZINC000811186889 995052538 /nfs/dbraw/zinc/05/25/38/995052538.db2.gz CARFCDNQGZOZEI-UHFFFAOYSA-N -1 3 364.401 2.920 20 30 FFEDHM COc1ccc([C@@H](NCc2ccc(O[C@H](C)C#N)cc2)C(=O)[O-])cc1O ZINC001599532548 997683070 /nfs/dbraw/zinc/68/30/70/997683070.db2.gz RIXCRXCYCKOCTJ-KZULUSFZSA-N -1 3 356.378 2.607 20 30 FFEDHM CC1(c2ccc(CN[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)OCCO1 ZINC001594071648 997911162 /nfs/dbraw/zinc/91/11/62/997911162.db2.gz LZXOBEJGTNZEPD-SFHVURJKSA-N -1 3 352.390 2.693 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001144527764 998632222 /nfs/dbraw/zinc/63/22/22/998632222.db2.gz KZARKZJRLLPIDK-UHFFFAOYSA-N -1 3 356.432 2.796 20 30 FFEDHM COC(=O)c1cccc(CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1C#N ZINC001598996220 998782119 /nfs/dbraw/zinc/78/21/19/998782119.db2.gz QGHUOAHIOOSTMW-KBXCAEBGSA-N -1 3 366.417 2.766 20 30 FFEDHM C#CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000733287713 998947524 /nfs/dbraw/zinc/94/75/24/998947524.db2.gz NQIISVVKAJOHHG-UHFFFAOYSA-N -1 3 372.446 2.558 20 30 FFEDHM CC(C)(C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1cc(F)cc(C#N)c1 ZINC000803924082 1016298145 /nfs/dbraw/zinc/29/81/45/1016298145.db2.gz AHJKCIZIQCICKI-UHFFFAOYSA-N -1 3 374.393 2.536 20 30 FFEDHM COC(=O)[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000742733930 999785253 /nfs/dbraw/zinc/78/52/53/999785253.db2.gz GNSNMWTWIRUQOB-SFHVURJKSA-N -1 3 368.389 2.666 20 30 FFEDHM COC(=O)Nc1ccc(C(=O)OCCOc2cccc(C#N)c2)cc1[O-] ZINC000745653011 999924089 /nfs/dbraw/zinc/92/40/89/999924089.db2.gz PWJYLFNYOLOVLB-UHFFFAOYSA-N -1 3 356.334 2.678 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)ccc1C#N ZINC000766549398 1000010370 /nfs/dbraw/zinc/01/03/70/1000010370.db2.gz UYKYUPABRKISTF-OAHLLOKOSA-N -1 3 371.462 2.893 20 30 FFEDHM C=CCC(F)(F)C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001169621280 1000063043 /nfs/dbraw/zinc/06/30/43/1000063043.db2.gz ICYRMLKAVMIAFX-UHFFFAOYSA-N -1 3 358.146 2.779 20 30 FFEDHM C=CCC(F)(F)C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001169621280 1000063045 /nfs/dbraw/zinc/06/30/45/1000063045.db2.gz ICYRMLKAVMIAFX-UHFFFAOYSA-N -1 3 358.146 2.779 20 30 FFEDHM COC(=O)Nc1ccc(C(=O)OCc2ccc(C#N)cc2OC)cc1[O-] ZINC000766899437 1000089038 /nfs/dbraw/zinc/08/90/38/1000089038.db2.gz ALVYRIPNLBKYDT-UHFFFAOYSA-N -1 3 356.334 2.808 20 30 FFEDHM COC(=O)c1coc([C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000766999191 1000096679 /nfs/dbraw/zinc/09/66/79/1000096679.db2.gz ZWYDHRPVHQXYPI-GFCCVEGCSA-N -1 3 372.377 2.892 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc2nsnc21 ZINC000767273608 1000106065 /nfs/dbraw/zinc/10/60/65/1000106065.db2.gz BOBDFBNIMUYARK-UHFFFAOYSA-N -1 3 368.418 2.956 20 30 FFEDHM C[C@@H]1C[C@@H](C)CN([C@H]2CCCCC2=NNc2nc(=O)c3cnn(C)c3[n-]2)C1 ZINC000769818457 1000598288 /nfs/dbraw/zinc/59/82/88/1000598288.db2.gz UYZVFNHAXGRNKJ-IOASZLSFSA-N -1 3 371.489 2.757 20 30 FFEDHM O=C(OCC#Cc1ccc(F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000771336472 1001082787 /nfs/dbraw/zinc/08/27/87/1001082787.db2.gz WVMNXIFTKZZYCA-GOSISDBHSA-N -1 3 367.376 2.731 20 30 FFEDHM CCN1CCN(c2ccc(C(=O)Nc3cc(C#N)c(F)cc3[O-])cc2)CC1 ZINC001149005751 1001243647 /nfs/dbraw/zinc/24/36/47/1001243647.db2.gz XADAUMLKQVFRED-UHFFFAOYSA-N -1 3 368.412 2.797 20 30 FFEDHM C=CCOC(=O)c1sc2[n-]c(CC(=O)c3ccc(C)o3)nc(=O)c2c1C ZINC000772206333 1001324676 /nfs/dbraw/zinc/32/46/76/1001324676.db2.gz MROBEYDPCXTMKS-UHFFFAOYSA-N -1 3 372.402 2.963 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nnc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC001171365437 1001762507 /nfs/dbraw/zinc/76/25/07/1001762507.db2.gz VYVSMIVTHGVHFP-SDBXPKJASA-N -1 3 370.306 2.950 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC001182871803 1002080897 /nfs/dbraw/zinc/08/08/97/1002080897.db2.gz KTDTURUVPZIEQK-UHFFFAOYSA-N -1 3 366.348 2.940 20 30 FFEDHM N#Cc1ccccc1C1(C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)CC1 ZINC001183290607 1002223126 /nfs/dbraw/zinc/22/31/26/1002223126.db2.gz OKXAVTPUGGVWII-UHFFFAOYSA-N -1 3 371.400 2.772 20 30 FFEDHM CCN1CCN(Cc2ccc(NC(=O)CCC(=O)C3=CC=C[CH]3)cc2)CC1 ZINC001184245217 1002537821 /nfs/dbraw/zinc/53/78/21/1002537821.db2.gz LUMSZMHYAFICNO-UHFFFAOYSA-N -1 3 366.485 2.812 20 30 FFEDHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N([O-])Cc1cccc2ccccc21 ZINC001184339057 1002574774 /nfs/dbraw/zinc/57/47/74/1002574774.db2.gz BPUPZQLDTRWPRJ-ROUUACIJSA-N -1 3 366.417 2.733 20 30 FFEDHM Cc1ccc([C@H](O)[C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000804486838 1003680093 /nfs/dbraw/zinc/68/00/93/1003680093.db2.gz RSVIFWNWQCTNNR-FOIQADDNSA-N -1 3 367.449 2.755 20 30 FFEDHM CCOc1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)cc(C(=O)OC)n1 ZINC001191907573 1003982102 /nfs/dbraw/zinc/98/21/02/1003982102.db2.gz QBYMXOSAMMZFCV-UHFFFAOYSA-N -1 3 361.304 2.669 20 30 FFEDHM N#Cc1cccc([C@H](O)CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC001197078093 1004074667 /nfs/dbraw/zinc/07/46/67/1004074667.db2.gz RFIIZGCZZJBADC-HXUWFJFHSA-N -1 3 371.868 2.768 20 30 FFEDHM COc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1OCC#N ZINC000806563108 1004362906 /nfs/dbraw/zinc/36/29/06/1004362906.db2.gz RCUOWAGDYUHBDC-DUXPYHPUSA-N -1 3 360.373 2.913 20 30 FFEDHM CCOc1c(OC)cc(C/N=C/c2c([O-])c(C)ncc2CO)cc1OC ZINC000747362051 1004436928 /nfs/dbraw/zinc/43/69/28/1004436928.db2.gz KMYUKDIVAWBHQO-KEBDBYFISA-N -1 3 360.410 2.623 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cncn2C(C)C)c(C)c1[O-] ZINC001198114583 1004500537 /nfs/dbraw/zinc/50/05/37/1004500537.db2.gz VTBJERXBLXHPFY-UHFFFAOYSA-N -1 3 356.382 2.779 20 30 FFEDHM COc1ccc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)cc1C#N ZINC000747447188 1004739124 /nfs/dbraw/zinc/73/91/24/1004739124.db2.gz XMIWCSKCQXUOGE-UHFFFAOYSA-N -1 3 360.316 2.667 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195086609 1004888597 /nfs/dbraw/zinc/88/85/97/1004888597.db2.gz CXXJLXXLQURKCG-INIZCTEOSA-N -1 3 369.559 2.585 20 30 FFEDHM COC(=O)c1sc([N-]C(=S)NC(=O)c2ccccc2)c(C#N)c1C ZINC001195381606 1004957021 /nfs/dbraw/zinc/95/70/21/1004957021.db2.gz MXMUACWQBRIMNP-UHFFFAOYSA-N -1 3 359.432 2.842 20 30 FFEDHM Cc1noc([N-]C(=O)c2occc(=O)c2OCc2ccccc2)c1C#N ZINC001195767047 1005033402 /nfs/dbraw/zinc/03/34/02/1005033402.db2.gz SRATUXUJLZSODV-UHFFFAOYSA-N -1 3 351.318 2.639 20 30 FFEDHM Cc1nc(NC(=S)Nc2ccc(C#N)cc2Br)cc(=O)[n-]1 ZINC001201115259 1005169597 /nfs/dbraw/zinc/16/95/97/1005169597.db2.gz JVNIWGWFYTTYKH-UHFFFAOYSA-N -1 3 364.228 2.934 20 30 FFEDHM CN(c1ccc(C(F)(F)F)cc1C#N)S(=O)(=O)c1ccc([O-])c(N)c1 ZINC001201697934 1005253857 /nfs/dbraw/zinc/25/38/57/1005253857.db2.gz CPTQCBSOHQYQSL-UHFFFAOYSA-N -1 3 371.340 2.690 20 30 FFEDHM C#CCCC1(CC[N-]S(=O)(=O)c2cccc(F)c2Br)N=N1 ZINC001201789666 1005274181 /nfs/dbraw/zinc/27/41/81/1005274181.db2.gz KLCVKMCPNFRILZ-UHFFFAOYSA-N -1 3 374.235 2.832 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000776279436 1005345316 /nfs/dbraw/zinc/34/53/16/1005345316.db2.gz KAAIYHQHOZGXNF-UHFFFAOYSA-N -1 3 365.389 2.660 20 30 FFEDHM C=C[C@@H]1C[C@]1([N-]S(=O)(=O)CCc1cccc2ccccc21)C(=O)OCC ZINC001187660151 1006188824 /nfs/dbraw/zinc/18/88/24/1006188824.db2.gz VRHJRGXVCAXGPX-YLJYHZDGSA-N -1 3 373.474 2.810 20 30 FFEDHM N#Cc1cccc(OCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188088980 1006405875 /nfs/dbraw/zinc/40/58/75/1006405875.db2.gz ZFUDALRXQHXWAE-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3cc(F)cc(F)c32)c1 ZINC001190669916 1007725228 /nfs/dbraw/zinc/72/52/28/1007725228.db2.gz BETNZEYFGCDCMP-CYBMUJFWSA-N -1 3 368.336 2.778 20 30 FFEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC001191187567 1007929582 /nfs/dbraw/zinc/92/95/82/1007929582.db2.gz XSKOSXQIEDBQJR-UHFFFAOYSA-N -1 3 371.364 2.693 20 30 FFEDHM COc1ccc(N2CC[C@H](C/N=C/c3c([O-])c(C)ncc3CO)C2)cc1 ZINC000818991422 1008002804 /nfs/dbraw/zinc/00/28/04/1008002804.db2.gz CYYSKUZZFNJMSW-UGVMZYNRSA-N -1 3 355.438 2.542 20 30 FFEDHM CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000820148076 1008293773 /nfs/dbraw/zinc/29/37/73/1008293773.db2.gz CGWZZBVLOITTER-QGZVFWFLSA-N -1 3 367.409 2.888 20 30 FFEDHM C[C@H](Oc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1)c1ccccc1 ZINC000820477416 1008339303 /nfs/dbraw/zinc/33/93/03/1008339303.db2.gz YNOYAMDKJZHPAK-KBXCAEBGSA-N -1 3 354.406 2.937 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000820476575 1008339348 /nfs/dbraw/zinc/33/93/48/1008339348.db2.gz MYXYYWMKCPWCBI-GZBFAFLISA-N -1 3 371.462 2.843 20 30 FFEDHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)C#Cc1ccc(F)cc1F ZINC001178568940 1009045461 /nfs/dbraw/zinc/04/54/61/1009045461.db2.gz XKWCYASKTVHADG-UHFFFAOYSA-N -1 3 360.316 2.997 20 30 FFEDHM C=CCOC(=O)N1CCC(C[N-]C(=O)C(F)(F)C(F)(F)Cl)CC1 ZINC001179781686 1009435945 /nfs/dbraw/zinc/43/59/45/1009435945.db2.gz LYUSJWBXVBDLID-UHFFFAOYSA-N -1 3 360.735 2.604 20 30 FFEDHM N#Cc1cc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1[O-] ZINC001180812854 1009867387 /nfs/dbraw/zinc/86/73/87/1009867387.db2.gz XLRVHHJCMZKYJR-UHFFFAOYSA-N -1 3 364.188 2.939 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2cn3cc(Br)ccc3n2)ccc1[O-] ZINC001181272541 1010047476 /nfs/dbraw/zinc/04/74/76/1010047476.db2.gz JIVHWOKLTLLOLZ-UHFFFAOYSA-N -1 3 371.194 2.855 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2C[C@@H]2C(F)(F)F)c(C)c1[O-] ZINC001182319274 1010491563 /nfs/dbraw/zinc/49/15/63/1010491563.db2.gz MZTHQLBRJUSZEV-KOLCDFICSA-N -1 3 356.300 2.886 20 30 FFEDHM COc1cc(C(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)c(OC)cc1[O-] ZINC000794940553 1011022570 /nfs/dbraw/zinc/02/25/70/1011022570.db2.gz ABKFPRXXTVUJMJ-HYXAFXHYSA-N -1 3 355.346 2.636 20 30 FFEDHM C=CCOc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000646198192 1011794409 /nfs/dbraw/zinc/79/44/09/1011794409.db2.gz DQTVIKGWMHKKQL-KBPBESRZSA-N -1 3 369.421 2.745 20 30 FFEDHM COCc1sccc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000870148657 1012202691 /nfs/dbraw/zinc/20/26/91/1012202691.db2.gz SXJJGSBDFPWIMG-ZDUSSCGKSA-N -1 3 372.402 2.627 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000133270100 1018870461 /nfs/dbraw/zinc/87/04/61/1018870461.db2.gz FTRYLUSMLDTAKM-GASCZTMLSA-N -1 3 371.462 2.973 20 30 FFEDHM C=CCOc1ccc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)cc1OC ZINC000901882028 1019546755 /nfs/dbraw/zinc/54/67/55/1019546755.db2.gz ITBZVFWAJYXGSB-UHFFFAOYSA-N -1 3 371.437 2.992 20 30 FFEDHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1ncc(C#N)cc1F ZINC001048527123 1020280071 /nfs/dbraw/zinc/28/00/71/1020280071.db2.gz WWHSFGWXBNDTSF-JKSUJKDBSA-N -1 3 354.385 2.585 20 30 FFEDHM COc1ccc(N2CCC(/N=C\c3c([O-])c(C)ncc3CO)CC2)cc1 ZINC000726428472 1020466454 /nfs/dbraw/zinc/46/64/54/1020466454.db2.gz BKBBHWWRNYDARW-UUYOSTAYSA-N -1 3 355.438 2.684 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccnn1CC1CC1 ZINC001118516586 1022270602 /nfs/dbraw/zinc/27/06/02/1022270602.db2.gz KVMSIPAPMZDEEU-UHFFFAOYSA-N -1 3 369.450 2.647 20 30 FFEDHM N#Cc1c(F)cccc1N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001040518712 1022882846 /nfs/dbraw/zinc/88/28/46/1022882846.db2.gz LQSVXWMPIXBTHR-SCLBCKFNSA-N -1 3 351.381 2.754 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(C#N)c1 ZINC000751643941 1022887400 /nfs/dbraw/zinc/88/74/00/1022887400.db2.gz FBNLISJGTHLMBS-MRXNPFEDSA-N -1 3 351.318 2.612 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(C#N)c1 ZINC000751643941 1022887420 /nfs/dbraw/zinc/88/74/20/1022887420.db2.gz FBNLISJGTHLMBS-MRXNPFEDSA-N -1 3 351.318 2.612 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049395079 1022912023 /nfs/dbraw/zinc/91/20/23/1022912023.db2.gz JMUGNEARWSFRDM-HNNXBMFYSA-N -1 3 372.388 2.622 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2cccc3n[n-]nc32)ccc1OC ZINC000187960676 1022976746 /nfs/dbraw/zinc/97/67/46/1022976746.db2.gz YCZNLKHUKCOYBQ-CYBMUJFWSA-N -1 3 365.393 2.577 20 30 FFEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCOC1 ZINC001123162003 1023663729 /nfs/dbraw/zinc/66/37/29/1023663729.db2.gz VUFMDBFQNCTSND-UONOGXRCSA-N -1 3 359.430 2.610 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@@H]4COC[C@]4(C)C3)n2C)c1[O-] ZINC001121438996 1023776807 /nfs/dbraw/zinc/77/68/07/1023776807.db2.gz UOIMVMUSSDFAGX-QRWLVFNGSA-N -1 3 354.454 2.779 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H](C)OC2(CCCCC2)C1 ZINC001121533090 1023832050 /nfs/dbraw/zinc/83/20/50/1023832050.db2.gz PLKKTXCELWRTAW-CQSZACIVSA-N -1 3 370.457 2.555 20 30 FFEDHM CN(c1nnc(-c2sc3ncccc3c2[O-])n1C)[C@H]1CCC[C@H]1C#N ZINC001121557142 1023847805 /nfs/dbraw/zinc/84/78/05/1023847805.db2.gz MJCZSEOXANCCEO-JQWIXIFHSA-N -1 3 354.439 2.926 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001121652011 1023904797 /nfs/dbraw/zinc/90/47/97/1023904797.db2.gz DWTLVDJYCCHTPA-IINYFYTJSA-N -1 3 370.240 2.845 20 30 FFEDHM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1nnc2n1CCCCC2 ZINC000193526147 1024559708 /nfs/dbraw/zinc/55/97/08/1024559708.db2.gz BRSUQHIQHWTWIS-FEAKQIBJSA-N -1 3 358.405 2.837 20 30 FFEDHM C#CCOc1cccc([C@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000759329898 1024565469 /nfs/dbraw/zinc/56/54/69/1024565469.db2.gz QRGGBJWJKOBOHY-AWEZNQCLSA-N -1 3 373.430 2.988 20 30 FFEDHM COc1cc(OC)c(C[C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)c(OC)c1 ZINC000840706794 1027223445 /nfs/dbraw/zinc/22/34/45/1027223445.db2.gz KEQVUKBWBIZVBW-RRSAXVHRSA-N -1 3 374.437 2.664 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001159331365 1027356342 /nfs/dbraw/zinc/35/63/42/1027356342.db2.gz FPUDUYKVVACXDH-CYBMUJFWSA-N -1 3 357.237 2.912 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cnc(Cl)c(-c2cccnc2)c1 ZINC001160178884 1027626775 /nfs/dbraw/zinc/62/67/75/1027626775.db2.gz OKDJSKZQKWBUFL-ZANVPECISA-N -1 3 368.771 2.672 20 30 FFEDHM Cc1noc([N-]C(=O)c2cn3cc(Br)sc3n2)c1C#N ZINC001154122230 1028154824 /nfs/dbraw/zinc/15/48/24/1028154824.db2.gz JEHAJNBIRPQPMT-UHFFFAOYSA-N -1 3 352.173 2.579 20 30 FFEDHM CCc1cccc(CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)c1 ZINC001161802360 1028317858 /nfs/dbraw/zinc/31/78/58/1028317858.db2.gz SUUUAAVOCNKBFL-UHFFFAOYSA-N -1 3 366.417 2.696 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC001161826922 1028327042 /nfs/dbraw/zinc/32/70/42/1028327042.db2.gz PQQWAKRQXWHMBB-HNNXBMFYSA-N -1 3 362.426 2.818 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(=O)[C@@H]3CCCC[C@@H]32)n1 ZINC001163791387 1029063188 /nfs/dbraw/zinc/06/31/88/1029063188.db2.gz RTFLZYJRXXMFOT-FUTVJYNNSA-N -1 3 354.863 2.998 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc3cnccc3c2)cc1 ZINC000782218241 1029614248 /nfs/dbraw/zinc/61/42/48/1029614248.db2.gz BKOFEXUAIJPFML-UHFFFAOYSA-N -1 3 370.390 2.597 20 30 FFEDHM C=CCOC[C@H]1c2nnn(CC)c2CCN1Cc1cc(Cl)ccc1[O-] ZINC001203656108 1030810913 /nfs/dbraw/zinc/81/09/13/1030810913.db2.gz IBUKZRZROPBCOD-INIZCTEOSA-N -1 3 362.861 2.959 20 30 FFEDHM C=CCOC(=O)N[C@H]1CCCN(C(=O)c2c([O-])c(C)nc3ccccc32)C1 ZINC001149196606 1031455570 /nfs/dbraw/zinc/45/55/70/1031455570.db2.gz LAAJHKSTMYNTLW-AWEZNQCLSA-N -1 3 369.421 2.766 20 30 FFEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(CC#N)cccc3C2)c1 ZINC001150437659 1031714321 /nfs/dbraw/zinc/71/43/21/1031714321.db2.gz PUGYFTQSXOPXRT-UHFFFAOYSA-N -1 3 361.401 2.781 20 30 FFEDHM CCCCCCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001151103502 1031857945 /nfs/dbraw/zinc/85/79/45/1031857945.db2.gz OPXFGZXZPFRARN-UHFFFAOYSA-N -1 3 361.417 2.964 20 30 FFEDHM CCCCCCCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001151103502 1031857957 /nfs/dbraw/zinc/85/79/57/1031857957.db2.gz OPXFGZXZPFRARN-UHFFFAOYSA-N -1 3 361.417 2.964 20 30 FFEDHM C=C1CCC(CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000830997837 1033905015 /nfs/dbraw/zinc/90/50/15/1033905015.db2.gz CFEAQJNYJFNQPE-UHFFFAOYSA-N -1 3 366.465 2.936 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001277109172 1034579008 /nfs/dbraw/zinc/57/90/08/1034579008.db2.gz ZMCVGMVGRMTDRR-QGZVFWFLSA-N -1 3 360.429 2.818 20 30 FFEDHM N#Cc1ccnc(N2CCC(Oc3c([O-])ccc4ccc(=O)oc43)CC2)c1 ZINC001226599006 1034752769 /nfs/dbraw/zinc/75/27/69/1034752769.db2.gz JKHOBHHOJMLRQV-UHFFFAOYSA-N -1 3 363.373 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C#N)c(F)cc1F ZINC001535868536 1069896949 /nfs/dbraw/zinc/89/69/49/1069896949.db2.gz TWSLSLVOPDGEHN-UHFFFAOYSA-N -1 3 356.332 2.997 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCC2 ZINC000835062570 1035499120 /nfs/dbraw/zinc/49/91/20/1035499120.db2.gz CZDXNMJMLCVJFI-GFCCVEGCSA-N -1 3 372.812 2.761 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2c([O-])ccc3c(C)cc(=O)oc32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228621558 1036210140 /nfs/dbraw/zinc/21/01/40/1036210140.db2.gz CGNNHYZISBNUPS-JUKXBJQTSA-N -1 3 360.362 2.617 20 30 FFEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228624327 1036213273 /nfs/dbraw/zinc/21/32/73/1036213273.db2.gz ZRDIQTKJHYKKRG-OAHLLOKOSA-N -1 3 374.465 2.998 20 30 FFEDHM C#CCN1CCC2(CCN(Cc3cc(Cl)nc(Cl)c3[O-])CC2)C1=O ZINC001277331669 1036338274 /nfs/dbraw/zinc/33/82/74/1036338274.db2.gz OIVXXBLTBZSBLD-UHFFFAOYSA-N -1 3 368.264 2.542 20 30 FFEDHM CC[C@H](C#CC(=O)OC)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192797 1036543410 /nfs/dbraw/zinc/54/34/10/1036543410.db2.gz UJGDVWPVPJCJAF-GFCCVEGCSA-N -1 3 364.353 2.501 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2nc(=S)[n-]c3sccc32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001229565002 1036748435 /nfs/dbraw/zinc/74/84/35/1036748435.db2.gz DPOUAPQSHVHYPJ-YVNDNENWSA-N -1 3 352.437 2.790 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1OC1CCN(c2cc(Cl)ncn2)CC1 ZINC001233798831 1036770065 /nfs/dbraw/zinc/77/00/65/1036770065.db2.gz AJTDAKUZLNBEEQ-UFFVCSGVSA-N -1 3 362.817 2.995 20 30 FFEDHM C=CCN1CC[C@]2(CCCN2Cc2ccc(OC)c(Cl)c2[O-])C1=O ZINC001277833190 1036930999 /nfs/dbraw/zinc/93/09/99/1036930999.db2.gz CGRVUEBCZVJZLO-GOSISDBHSA-N -1 3 350.846 2.807 20 30 FFEDHM C=CCCCCNC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC001234636976 1037121510 /nfs/dbraw/zinc/12/15/10/1037121510.db2.gz RFABTMOSRFPMPL-UHFFFAOYSA-N -1 3 371.441 2.804 20 30 FFEDHM C=CCCCCNC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC001234636976 1037121518 /nfs/dbraw/zinc/12/15/18/1037121518.db2.gz RFABTMOSRFPMPL-UHFFFAOYSA-N -1 3 371.441 2.804 20 30 FFEDHM C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231448963 1037589086 /nfs/dbraw/zinc/58/90/86/1037589086.db2.gz AZFWWMFIGWZOHE-HXUWFJFHSA-N -1 3 358.438 2.624 20 30 FFEDHM C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231448963 1037589099 /nfs/dbraw/zinc/58/90/99/1037589099.db2.gz AZFWWMFIGWZOHE-HXUWFJFHSA-N -1 3 358.438 2.624 20 30 FFEDHM C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450927 1037590906 /nfs/dbraw/zinc/59/09/06/1037590906.db2.gz UWPUNFOJBWYVHX-AZUAARDMSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450927 1037590912 /nfs/dbraw/zinc/59/09/12/1037590912.db2.gz UWPUNFOJBWYVHX-AZUAARDMSA-N -1 3 361.438 2.664 20 30 FFEDHM C#CCCCCCC(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208315230 1038206641 /nfs/dbraw/zinc/20/66/41/1038206641.db2.gz POHNTEMABJPFSQ-CRAIPNDOSA-N -1 3 370.497 2.580 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605250 1038617819 /nfs/dbraw/zinc/61/78/19/1038617819.db2.gz DBIGTVWCZKRVCP-HXUWFJFHSA-N -1 3 358.438 2.624 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605250 1038617823 /nfs/dbraw/zinc/61/78/23/1038617823.db2.gz DBIGTVWCZKRVCP-HXUWFJFHSA-N -1 3 358.438 2.624 20 30 FFEDHM N#Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3CCCC(F)(F)F)ccc1[O-] ZINC001279056566 1039046504 /nfs/dbraw/zinc/04/65/04/1039046504.db2.gz IGNBSUIQKHTYDC-GJZGRUSLSA-N -1 3 367.371 2.895 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccnc(F)c1Br ZINC001258208805 1039270322 /nfs/dbraw/zinc/27/03/22/1039270322.db2.gz YKMHCSHOEQMTHR-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccccc3C#N)co2)cc1 ZINC001258319612 1039312732 /nfs/dbraw/zinc/31/27/32/1039312732.db2.gz AICQUGQLAHDXTH-UHFFFAOYSA-N -1 3 369.402 2.700 20 30 FFEDHM C=C[C@H]1C[C@@]1([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OCC ZINC001258897427 1039570781 /nfs/dbraw/zinc/57/07/81/1039570781.db2.gz KLGGUZFZPYXRST-XPTSAGLGSA-N -1 3 364.250 2.780 20 30 FFEDHM COc1cc(F)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)c1 ZINC001259115148 1039724759 /nfs/dbraw/zinc/72/47/59/1039724759.db2.gz XAKKTBKPZITGBI-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(Cl)s1 ZINC001259117749 1039725555 /nfs/dbraw/zinc/72/55/55/1039725555.db2.gz DKIUKECHNSYCTN-UHFFFAOYSA-N -1 3 356.812 2.861 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001259126847 1039734807 /nfs/dbraw/zinc/73/48/07/1039734807.db2.gz PFOVVVANZFVLDJ-UHFFFAOYSA-N -1 3 373.821 2.944 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001253065066 1039958993 /nfs/dbraw/zinc/95/89/93/1039958993.db2.gz SEIKOFISPDUHQI-LLLGYDHXSA-N -1 3 371.458 2.917 20 30 FFEDHM Cc1cnc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(Br)c1 ZINC001259411092 1039982704 /nfs/dbraw/zinc/98/27/04/1039982704.db2.gz LWFLCASLMAKPKC-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM C=CCCCCCC[C@@H](O)CNc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001253245692 1040068319 /nfs/dbraw/zinc/06/83/19/1040068319.db2.gz BMJVVROBYITJLW-CYBMUJFWSA-N -1 3 370.471 2.958 20 30 FFEDHM CC1(C)CC(=O)C=C([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)C1 ZINC001259999443 1040339164 /nfs/dbraw/zinc/33/91/64/1040339164.db2.gz DJENIBDPAQHPKI-UHFFFAOYSA-N -1 3 352.437 2.954 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)Cc2ccccc2C1 ZINC001260004135 1040343069 /nfs/dbraw/zinc/34/30/69/1040343069.db2.gz SHBVIMKDSJLNJS-UHFFFAOYSA-N -1 3 371.443 2.743 20 30 FFEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(=O)OCC ZINC001213383452 1040495919 /nfs/dbraw/zinc/49/59/19/1040495919.db2.gz QKCZXLVAGGDBEM-CKXPSTMWSA-N -1 3 361.822 2.790 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)OCC ZINC001254755790 1040935206 /nfs/dbraw/zinc/93/52/06/1040935206.db2.gz YRACVNWDWPXLJH-CYBMUJFWSA-N -1 3 355.387 2.666 20 30 FFEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1C#N ZINC001261061348 1040967265 /nfs/dbraw/zinc/96/72/65/1040967265.db2.gz BHPLVNVKDDOGPM-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cc(F)cc(C#N)c3)no2)c1C ZINC001216962032 1042172509 /nfs/dbraw/zinc/17/25/09/1042172509.db2.gz LPMUPFOXBRNOKT-UHFFFAOYSA-N -1 3 364.336 2.999 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(C)nn2cccnc12 ZINC001309580492 1043443178 /nfs/dbraw/zinc/44/31/78/1043443178.db2.gz ZZGJYILZPBTQJW-INIZCTEOSA-N -1 3 356.451 2.503 20 30 FFEDHM CC(C)CCOc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1F ZINC001310937905 1043768734 /nfs/dbraw/zinc/76/87/34/1043768734.db2.gz RNEZSFPBUQWBKG-AWEZNQCLSA-N -1 3 353.394 2.752 20 30 FFEDHM C=CCOC(=O)[C@@H](N)CCCCNC(=S)[N-]c1ccccc1SC ZINC001239378811 1044108281 /nfs/dbraw/zinc/10/82/81/1044108281.db2.gz HCXMHZVCSJVINO-ZDUSSCGKSA-N -1 3 367.540 2.922 20 30 FFEDHM COC(=O)C1CCN(c2ncc(-c3ccc(/C(C)=N/[O-])cc3)cn2)CC1 ZINC001242687386 1044775184 /nfs/dbraw/zinc/77/51/84/1044775184.db2.gz VTXCBCBTQLEHBN-LPYMAVHISA-N -1 3 354.410 2.731 20 30 FFEDHM C=C[C@H](COC)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001321905778 1045865969 /nfs/dbraw/zinc/86/59/69/1045865969.db2.gz KYFOTFJWPMCGNY-MRVPVSSYSA-N -1 3 354.653 2.582 20 30 FFEDHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001540577092 1070938224 /nfs/dbraw/zinc/93/82/24/1070938224.db2.gz KNYAUPDPIPKTOJ-UHFFFAOYSA-N -1 3 361.357 2.549 20 30 FFEDHM N#CC(=C([O-])c1ccc(O[C@@H]2CCOC2)cc1)c1nc(N)c2ccccc2n1 ZINC001341803553 1050416004 /nfs/dbraw/zinc/41/60/04/1050416004.db2.gz AIIWNLYUKGVYGK-NVXWUHKLSA-N -1 3 374.400 2.870 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001342383552 1050977457 /nfs/dbraw/zinc/97/74/57/1050977457.db2.gz DMSCLZJVTWHVSC-OAHLLOKOSA-N -1 3 372.473 2.721 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@H](CC)C1 ZINC001343286127 1052134500 /nfs/dbraw/zinc/13/45/00/1052134500.db2.gz CZCFRVMWMBZTCX-CYBMUJFWSA-N -1 3 360.487 2.657 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)CCSC ZINC001343288295 1052136804 /nfs/dbraw/zinc/13/68/04/1052136804.db2.gz OAXNYLCKIRIIQL-GFCCVEGCSA-N -1 3 362.503 2.903 20 30 FFEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)cn1 ZINC001343353752 1052180320 /nfs/dbraw/zinc/18/03/20/1052180320.db2.gz CTRFWUWDSHNNLF-CQSZACIVSA-N -1 3 353.378 2.840 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC001306896796 1052214741 /nfs/dbraw/zinc/21/47/41/1052214741.db2.gz MGFWTAAKGUTDFP-LIRRHRJNSA-N -1 3 367.490 2.921 20 30 FFEDHM C=CC1CCN(c2nnc(-c3cnc[n-]c3=O)n2Cc2ccccc2)CC1 ZINC001343965917 1052516852 /nfs/dbraw/zinc/51/68/52/1052516852.db2.gz CMYNWJQVSLKGGY-UHFFFAOYSA-N -1 3 362.437 2.891 20 30 FFEDHM N#CC(=C([O-])c1ccc(N2CCCC2=O)cc1)c1nc(N)c2ccccc2n1 ZINC001343983346 1052527724 /nfs/dbraw/zinc/52/77/24/1052527724.db2.gz SKAKULAFDRIVKV-MRXNPFEDSA-N -1 3 371.400 2.829 20 30 FFEDHM CNc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)cc(Cl)n1 ZINC001346040493 1052718385 /nfs/dbraw/zinc/71/83/85/1052718385.db2.gz VMTFEFFTUHNTHK-CYBMUJFWSA-N -1 3 358.785 2.746 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1ccncc1 ZINC001344597750 1052852808 /nfs/dbraw/zinc/85/28/08/1052852808.db2.gz XNNZXPHGKWUIEG-CQSZACIVSA-N -1 3 357.377 2.646 20 30 FFEDHM C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001347741361 1054274414 /nfs/dbraw/zinc/27/44/14/1054274414.db2.gz NCXJAJYXPIUFPK-NXHRZFHOSA-N -1 3 354.450 2.838 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001351790922 1055001994 /nfs/dbraw/zinc/00/19/94/1055001994.db2.gz XVEXJJWEVXCUAN-UHFFFAOYSA-N -1 3 357.336 2.994 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCO[C@@H](C)C1 ZINC001338635328 1055687714 /nfs/dbraw/zinc/68/77/14/1055687714.db2.gz HGAMGPURQQNAHN-NSHDSACASA-N -1 3 357.439 2.672 20 30 FFEDHM C=C[C@H](C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001352793411 1055796681 /nfs/dbraw/zinc/79/66/81/1055796681.db2.gz JVNCRDZDTWTBMR-SJORKVTESA-N -1 3 352.438 2.545 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(c2ccco2)CC1 ZINC001338834695 1055858321 /nfs/dbraw/zinc/85/83/21/1055858321.db2.gz QBWSWBIEYIUNHN-UHFFFAOYSA-N -1 3 352.398 2.604 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@@H]4COC[C@@H]4C3)n2CC)c1[O-] ZINC001352924737 1055935740 /nfs/dbraw/zinc/93/57/40/1055935740.db2.gz DMBSDURBOMPIPL-IYBDPMFKSA-N -1 3 354.454 2.872 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1 ZINC000847624331 1056198007 /nfs/dbraw/zinc/19/80/07/1056198007.db2.gz ULCHHYQKGWXFAW-OAHLLOKOSA-N -1 3 365.437 2.629 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(C(F)(F)F)no1 ZINC001518289311 1058330901 /nfs/dbraw/zinc/33/09/01/1058330901.db2.gz HIDMVDGPKLSRHZ-UHFFFAOYSA-N -1 3 369.299 2.959 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000848129981 1059088252 /nfs/dbraw/zinc/08/82/52/1059088252.db2.gz DDQLNNUTXBXXTR-KRWDZBQOSA-N -1 3 368.437 2.775 20 30 FFEDHM CCc1ccccc1O[C@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000848139608 1059115909 /nfs/dbraw/zinc/11/59/09/1059115909.db2.gz ZODRGDDGQHVHMT-HKUYNNGSSA-N -1 3 368.433 2.866 20 30 FFEDHM CN1C(=O)C[C@H](C(=O)N([O-])CCCCc2ccccc2)[C@H]1c1cccnc1 ZINC001458009600 1060491000 /nfs/dbraw/zinc/49/10/00/1060491000.db2.gz QYJSFOUUBYGYGJ-AZUAARDMSA-N -1 3 367.449 2.842 20 30 FFEDHM CCCCN([O-])C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001458025620 1060492564 /nfs/dbraw/zinc/49/25/64/1060492564.db2.gz WOZXQALLBKOIJF-CYBMUJFWSA-N -1 3 355.232 2.820 20 30 FFEDHM CCCCN([O-])C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1OC ZINC001458022962 1060493206 /nfs/dbraw/zinc/49/32/06/1060493206.db2.gz JQBUYMAZOUEXAW-CQSZACIVSA-N -1 3 354.834 2.971 20 30 FFEDHM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n2)cc1 ZINC001475094484 1060942528 /nfs/dbraw/zinc/94/25/28/1060942528.db2.gz XJTHDBBPRYRTGE-GFCCVEGCSA-N -1 3 362.455 2.829 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001476150532 1061357361 /nfs/dbraw/zinc/35/73/61/1061357361.db2.gz IVUDZTCPNRKSFA-SECBINFHSA-N -1 3 353.304 2.718 20 30 FFEDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(C#N)c2Cl)s1 ZINC001463921956 1062332950 /nfs/dbraw/zinc/33/29/50/1062332950.db2.gz AGZVBPWLZRHWAH-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cccn2)cc1)c1nc(N)c2ccccc2n1 ZINC001524677564 1062948332 /nfs/dbraw/zinc/94/83/32/1062948332.db2.gz JHGOVTHHJXFELI-INIZCTEOSA-N -1 3 354.373 2.888 20 30 FFEDHM C=C(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC001467260379 1063686401 /nfs/dbraw/zinc/68/64/01/1063686401.db2.gz CHEPGYPYQXKAOV-OAHLLOKOSA-N -1 3 356.336 2.587 20 30 FFEDHM C=C(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC001467260379 1063686405 /nfs/dbraw/zinc/68/64/05/1063686405.db2.gz CHEPGYPYQXKAOV-OAHLLOKOSA-N -1 3 356.336 2.587 20 30 FFEDHM CCCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001470385575 1064319546 /nfs/dbraw/zinc/31/95/46/1064319546.db2.gz WNSUGCFLODJSCJ-UHFFFAOYSA-N -1 3 356.463 2.967 20 30 FFEDHM COc1c([O-])c(CN2CCN(c3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC001474672137 1065575653 /nfs/dbraw/zinc/57/56/53/1065575653.db2.gz OPGKHHHWFKSVCD-UHFFFAOYSA-N -1 3 368.393 2.503 20 30 FFEDHM CCCC[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)C#CC1CC1 ZINC001577473694 1078365718 /nfs/dbraw/zinc/36/57/18/1078365718.db2.gz IFDJCCNFZGVWBM-CQSZACIVSA-N -1 3 370.432 2.506 20 30 FFEDHM CCCC[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C#CC1CC1 ZINC001577473694 1078365721 /nfs/dbraw/zinc/36/57/21/1078365721.db2.gz IFDJCCNFZGVWBM-CQSZACIVSA-N -1 3 370.432 2.506 20 30 FFEDHM COc1cc(C#N)ccc1OC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579890422 1078709130 /nfs/dbraw/zinc/70/91/30/1078709130.db2.gz QMZVCVYEZCQVEA-GFCCVEGCSA-N -1 3 363.377 2.531 20 30 FFEDHM COc1cc(C#N)ccc1OC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579890422 1078709133 /nfs/dbraw/zinc/70/91/33/1078709133.db2.gz QMZVCVYEZCQVEA-GFCCVEGCSA-N -1 3 363.377 2.531 20 30 FFEDHM COc1cc(NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)c(F)cc1C#N ZINC001579933447 1078719339 /nfs/dbraw/zinc/71/93/39/1078719339.db2.gz AKLHZUBUTUUOEF-UHFFFAOYSA-N -1 3 366.356 2.755 20 30 FFEDHM COc1cc(NC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)c(F)cc1C#N ZINC001579933447 1078719342 /nfs/dbraw/zinc/71/93/42/1078719342.db2.gz AKLHZUBUTUUOEF-UHFFFAOYSA-N -1 3 366.356 2.755 20 30 FFEDHM Cc1csc(NC(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)c1C#N ZINC001581387221 1078956966 /nfs/dbraw/zinc/95/69/66/1078956966.db2.gz KQMAYDNUBZSQGX-UHFFFAOYSA-N -1 3 357.374 2.569 20 30 FFEDHM Cc1csc(NC(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)c1C#N ZINC001581387221 1078956972 /nfs/dbraw/zinc/95/69/72/1078956972.db2.gz KQMAYDNUBZSQGX-UHFFFAOYSA-N -1 3 357.374 2.569 20 30 FFEDHM N#Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)cc1 ZINC001581869224 1079010436 /nfs/dbraw/zinc/01/04/36/1079010436.db2.gz NLMYFKIVYBTTKC-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)cc1 ZINC001581869224 1079010441 /nfs/dbraw/zinc/01/04/41/1079010441.db2.gz NLMYFKIVYBTTKC-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1ccc(OCCOc2c(Cl)cc(F)cc2-c2nnn[n-]2)cc1 ZINC001581873578 1079011230 /nfs/dbraw/zinc/01/12/30/1079011230.db2.gz HGEVQHCHNKYBSG-UHFFFAOYSA-N -1 3 359.748 2.989 20 30 FFEDHM N#Cc1ccc(OCCOc2c(Cl)cc(F)cc2-c2nn[n-]n2)cc1 ZINC001581873578 1079011236 /nfs/dbraw/zinc/01/12/36/1079011236.db2.gz HGEVQHCHNKYBSG-UHFFFAOYSA-N -1 3 359.748 2.989 20 30 FFEDHM C=CCn1cc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])nn1 ZINC001557105848 1075808969 /nfs/dbraw/zinc/80/89/69/1075808969.db2.gz XFKQAYLPZBUWEE-UHFFFAOYSA-N -1 3 362.433 2.885 20 30 FFEDHM O=C(CCCNC(=O)c1cccnc1)N([O-])CCCCc1ccccc1 ZINC001559033953 1076118082 /nfs/dbraw/zinc/11/80/82/1076118082.db2.gz GPHOZJUVIWMWNE-UHFFFAOYSA-N -1 3 355.438 2.832 20 30 FFEDHM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC001561687509 1076407306 /nfs/dbraw/zinc/40/73/06/1076407306.db2.gz HFSMIDHVXNSJQF-INIZCTEOSA-N -1 3 366.483 2.572 20 30 FFEDHM N#Cc1ccc(F)c(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001566033161 1076867137 /nfs/dbraw/zinc/86/71/37/1076867137.db2.gz ZDRWJIVISRYLGE-UHFFFAOYSA-N -1 3 357.291 2.747 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC)[C@H]2CC2(C)C)ccc1F ZINC001570452505 1077206869 /nfs/dbraw/zinc/20/68/69/1077206869.db2.gz UEUFZJIMXIRERH-HIFRSBDPSA-N -1 3 368.474 2.845 20 30 FFEDHM CCOc1nnc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[n-]1 ZINC001587741039 1079854705 /nfs/dbraw/zinc/85/47/05/1079854705.db2.gz INZXSVWTQKCWCP-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CCOc1nc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n[n-]1 ZINC001587741039 1079854710 /nfs/dbraw/zinc/85/47/10/1079854710.db2.gz INZXSVWTQKCWCP-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM CCOc1n[n-]c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC001587741039 1079854716 /nfs/dbraw/zinc/85/47/16/1079854716.db2.gz INZXSVWTQKCWCP-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM C#C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2F)C1 ZINC001588332615 1079986832 /nfs/dbraw/zinc/98/68/32/1079986832.db2.gz NVVOPCMMCAUQGJ-VIFPVBQESA-N -1 3 350.195 2.618 20 30 FFEDHM C#C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2F)C1 ZINC001588332615 1079986838 /nfs/dbraw/zinc/98/68/38/1079986838.db2.gz NVVOPCMMCAUQGJ-VIFPVBQESA-N -1 3 350.195 2.618 20 30 FFEDHM C#C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001588332939 1079987133 /nfs/dbraw/zinc/98/71/33/1079987133.db2.gz WMJOLTSHJYRMCU-VIFPVBQESA-N -1 3 358.327 2.682 20 30 FFEDHM C#C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001588332939 1079987141 /nfs/dbraw/zinc/98/71/41/1079987141.db2.gz WMJOLTSHJYRMCU-VIFPVBQESA-N -1 3 358.327 2.682 20 30 FFEDHM C#CC1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC001588330613 1079987827 /nfs/dbraw/zinc/98/78/27/1079987827.db2.gz HHPRUVXHTPLIHC-UHFFFAOYSA-N -1 3 374.448 2.760 20 30 FFEDHM C#CC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Br)c2F)C1 ZINC001588336821 1079988939 /nfs/dbraw/zinc/98/89/39/1079988939.db2.gz FSEDZVUGAWWGDC-SECBINFHSA-N -1 3 350.195 2.618 20 30 FFEDHM C#CC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Br)c2F)C1 ZINC001588336821 1079988944 /nfs/dbraw/zinc/98/89/44/1079988944.db2.gz FSEDZVUGAWWGDC-SECBINFHSA-N -1 3 350.195 2.618 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NC2CC2)cc1 ZINC001588362246 1079994300 /nfs/dbraw/zinc/99/43/00/1079994300.db2.gz XLIDRFJGNBIIAW-UHFFFAOYSA-N -1 3 374.404 2.705 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588392666 1080005205 /nfs/dbraw/zinc/00/52/05/1080005205.db2.gz FRFYGOBGAVUAGH-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588392666 1080005212 /nfs/dbraw/zinc/00/52/12/1080005212.db2.gz FRFYGOBGAVUAGH-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2C)c1 ZINC001588429908 1080025210 /nfs/dbraw/zinc/02/52/10/1080025210.db2.gz NQUYWBSPPOVSMX-UHFFFAOYSA-N -1 3 350.382 2.777 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2C)c1 ZINC001588429908 1080025219 /nfs/dbraw/zinc/02/52/19/1080025219.db2.gz NQUYWBSPPOVSMX-UHFFFAOYSA-N -1 3 350.382 2.777 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC2CC1(C)C2 ZINC001588436787 1080027538 /nfs/dbraw/zinc/02/75/38/1080027538.db2.gz POAMGNRFLWJBPR-UHFFFAOYSA-N -1 3 362.441 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC2CC1(C)C2 ZINC001588436787 1080027543 /nfs/dbraw/zinc/02/75/43/1080027543.db2.gz POAMGNRFLWJBPR-UHFFFAOYSA-N -1 3 362.441 2.690 20 30 FFEDHM C=C(Cl)Cn1c(C)nnc1N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588447962 1080030839 /nfs/dbraw/zinc/03/08/39/1080030839.db2.gz OISRJGYPNZZDMW-UHFFFAOYSA-N -1 3 370.848 2.688 20 30 FFEDHM C=C(Cl)Cn1c(C)nnc1N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588447962 1080030849 /nfs/dbraw/zinc/03/08/49/1080030849.db2.gz OISRJGYPNZZDMW-UHFFFAOYSA-N -1 3 370.848 2.688 20 30 FFEDHM C=C1CCC(C(=O)N(CC)CCNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588456667 1080032924 /nfs/dbraw/zinc/03/29/24/1080032924.db2.gz SSZOJSZEUUENBZ-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C1CCC(C(=O)N(CC)CCNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588456667 1080032935 /nfs/dbraw/zinc/03/29/35/1080032935.db2.gz SSZOJSZEUUENBZ-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC(CCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001588469209 1080039407 /nfs/dbraw/zinc/03/94/07/1080039407.db2.gz YTEILUPBBDRKII-UHFFFAOYSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC(CCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001588469209 1080039416 /nfs/dbraw/zinc/03/94/16/1080039416.db2.gz YTEILUPBBDRKII-UHFFFAOYSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588474187 1080040252 /nfs/dbraw/zinc/04/02/52/1080040252.db2.gz DNKDNGNMKVHUGL-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588474187 1080040259 /nfs/dbraw/zinc/04/02/59/1080040259.db2.gz DNKDNGNMKVHUGL-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588484446 1080047718 /nfs/dbraw/zinc/04/77/18/1080047718.db2.gz DDTBDQNYFDGFQK-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588484446 1080047728 /nfs/dbraw/zinc/04/77/28/1080047728.db2.gz DDTBDQNYFDGFQK-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](CC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588518902 1080069963 /nfs/dbraw/zinc/06/99/63/1080069963.db2.gz NPRAWPSLBRJINC-IFXJQAMLSA-N -1 3 359.433 2.810 20 30 FFEDHM C=C[C@@H](CC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588518902 1080069970 /nfs/dbraw/zinc/06/99/70/1080069970.db2.gz NPRAWPSLBRJINC-IFXJQAMLSA-N -1 3 359.433 2.810 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588521933 1080075595 /nfs/dbraw/zinc/07/55/95/1080075595.db2.gz WOUHVERZTXSNEU-NFOMZHRRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588521933 1080075602 /nfs/dbraw/zinc/07/56/02/1080075602.db2.gz WOUHVERZTXSNEU-NFOMZHRRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001588532985 1080083630 /nfs/dbraw/zinc/08/36/30/1080083630.db2.gz KWFKBMVLDSKVMK-UHFFFAOYSA-N -1 3 374.876 2.771 20 30 FFEDHM C=CCC(CC=C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588540628 1080087396 /nfs/dbraw/zinc/08/73/96/1080087396.db2.gz DFXWJRRTLCPLQU-ZDUSSCGKSA-N -1 3 369.473 2.597 20 30 FFEDHM C=CCC(CC=C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588540628 1080087406 /nfs/dbraw/zinc/08/74/06/1080087406.db2.gz DFXWJRRTLCPLQU-ZDUSSCGKSA-N -1 3 369.473 2.597 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588544667 1080089650 /nfs/dbraw/zinc/08/96/50/1080089650.db2.gz OVTBTOSNZYOPCJ-ZIAGYGMSSA-N -1 3 369.473 2.644 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588544667 1080089657 /nfs/dbraw/zinc/08/96/57/1080089657.db2.gz OVTBTOSNZYOPCJ-ZIAGYGMSSA-N -1 3 369.473 2.644 20 30 FFEDHM C=CCC1(C(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588548545 1080090479 /nfs/dbraw/zinc/09/04/79/1080090479.db2.gz FLGQBPADRCSIKJ-AWEZNQCLSA-N -1 3 355.442 2.759 20 30 FFEDHM C=CCC1(C(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588548545 1080090487 /nfs/dbraw/zinc/09/04/87/1080090487.db2.gz FLGQBPADRCSIKJ-AWEZNQCLSA-N -1 3 355.442 2.759 20 30 FFEDHM C=CCC1(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCCC1 ZINC001588556635 1080095202 /nfs/dbraw/zinc/09/52/02/1080095202.db2.gz AQSNJNRTYDUTFY-UHFFFAOYSA-N -1 3 358.421 2.942 20 30 FFEDHM C=CCC1(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC001588556635 1080095209 /nfs/dbraw/zinc/09/52/09/1080095209.db2.gz AQSNJNRTYDUTFY-UHFFFAOYSA-N -1 3 358.421 2.942 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001588559174 1080096516 /nfs/dbraw/zinc/09/65/16/1080096516.db2.gz HTQCLEMBAKGQNI-UKRRQHHQSA-N -1 3 371.441 2.505 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588559174 1080096521 /nfs/dbraw/zinc/09/65/21/1080096521.db2.gz HTQCLEMBAKGQNI-UKRRQHHQSA-N -1 3 371.441 2.505 20 30 FFEDHM C=CCCC(=O)N1CCC(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588561751 1080097841 /nfs/dbraw/zinc/09/78/41/1080097841.db2.gz BFFKLWFFTVRKSX-UHFFFAOYSA-N -1 3 358.421 2.623 20 30 FFEDHM C=CCCC(=O)N1CCC(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588561751 1080097850 /nfs/dbraw/zinc/09/78/50/1080097850.db2.gz BFFKLWFFTVRKSX-UHFFFAOYSA-N -1 3 358.421 2.623 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@@H](CC)C1 ZINC001588566204 1080101385 /nfs/dbraw/zinc/10/13/85/1080101385.db2.gz CDPQERPCEGZALO-GOEBONIOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@@H](CC)C1 ZINC001588566204 1080101390 /nfs/dbraw/zinc/10/13/90/1080101390.db2.gz CDPQERPCEGZALO-GOEBONIOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588571902 1080104321 /nfs/dbraw/zinc/10/43/21/1080104321.db2.gz SAXUORQPXNEYIP-HIFRSBDPSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588571902 1080104326 /nfs/dbraw/zinc/10/43/26/1080104326.db2.gz SAXUORQPXNEYIP-HIFRSBDPSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(C)(C)CNS(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1 ZINC001588578145 1080106335 /nfs/dbraw/zinc/10/63/35/1080106335.db2.gz XHZWJQPIWNASMH-UHFFFAOYSA-N -1 3 367.450 2.585 20 30 FFEDHM C=CCCCC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588581996 1080107110 /nfs/dbraw/zinc/10/71/10/1080107110.db2.gz DAFOLWHZWGEKGJ-UHFFFAOYSA-N -1 3 357.462 2.515 20 30 FFEDHM C=CCCCC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588581996 1080107112 /nfs/dbraw/zinc/10/71/12/1080107112.db2.gz DAFOLWHZWGEKGJ-UHFFFAOYSA-N -1 3 357.462 2.515 20 30 FFEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588582052 1080107452 /nfs/dbraw/zinc/10/74/52/1080107452.db2.gz FZFURUYBSPHRKM-GFCCVEGCSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588582052 1080107455 /nfs/dbraw/zinc/10/74/55/1080107455.db2.gz FZFURUYBSPHRKM-GFCCVEGCSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588582839 1080108599 /nfs/dbraw/zinc/10/85/99/1080108599.db2.gz PRMAKEMFJCWUBD-GOEBONIOSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588582839 1080108602 /nfs/dbraw/zinc/10/86/02/1080108602.db2.gz PRMAKEMFJCWUBD-GOEBONIOSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCCCN(C)C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588594564 1080117463 /nfs/dbraw/zinc/11/74/63/1080117463.db2.gz WHZQJCXOUOJPLK-QGZVFWFLSA-N -1 3 354.458 2.722 20 30 FFEDHM C=CCCCCCN(C)C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588594564 1080117468 /nfs/dbraw/zinc/11/74/68/1080117468.db2.gz WHZQJCXOUOJPLK-QGZVFWFLSA-N -1 3 354.458 2.722 20 30 FFEDHM C=CCCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001588600545 1080119501 /nfs/dbraw/zinc/11/95/01/1080119501.db2.gz GFIABSQBYNUCAG-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=CCCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001588600545 1080119507 /nfs/dbraw/zinc/11/95/07/1080119507.db2.gz GFIABSQBYNUCAG-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=CCCN(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588603235 1080120717 /nfs/dbraw/zinc/12/07/17/1080120717.db2.gz IUQJJGWALYLCDC-UHFFFAOYSA-N -1 3 356.308 2.805 20 30 FFEDHM C=CCCN(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588603235 1080120721 /nfs/dbraw/zinc/12/07/21/1080120721.db2.gz IUQJJGWALYLCDC-UHFFFAOYSA-N -1 3 356.308 2.805 20 30 FFEDHM C=CCCOCCNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588617834 1080124207 /nfs/dbraw/zinc/12/42/07/1080124207.db2.gz BWZKPGXHDMFBSM-UHFFFAOYSA-N -1 3 356.199 2.773 20 30 FFEDHM C=CCCOCCNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588617834 1080124215 /nfs/dbraw/zinc/12/42/15/1080124215.db2.gz BWZKPGXHDMFBSM-UHFFFAOYSA-N -1 3 356.199 2.773 20 30 FFEDHM C=CCN(C)C(=O)C1(C)CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC001588625930 1080126001 /nfs/dbraw/zinc/12/60/01/1080126001.db2.gz BCYUKZSQZZVEOS-UHFFFAOYSA-N -1 3 374.876 2.771 20 30 FFEDHM C=CCN(C)C(=O)C1(C)CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC001588625930 1080126007 /nfs/dbraw/zinc/12/60/07/1080126007.db2.gz BCYUKZSQZZVEOS-UHFFFAOYSA-N -1 3 374.876 2.771 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588635282 1080131123 /nfs/dbraw/zinc/13/11/23/1080131123.db2.gz GWJFEOPWRPHCJY-UHFFFAOYSA-N -1 3 370.388 2.539 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588635282 1080131126 /nfs/dbraw/zinc/13/11/26/1080131126.db2.gz GWJFEOPWRPHCJY-UHFFFAOYSA-N -1 3 370.388 2.539 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c[nH]c2cnccc12 ZINC001588640704 1080133315 /nfs/dbraw/zinc/13/33/15/1080133315.db2.gz YKYMYDLIIGQWNB-UHFFFAOYSA-N -1 3 373.420 2.500 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c[nH]c2cnccc12 ZINC001588640704 1080133321 /nfs/dbraw/zinc/13/33/21/1080133321.db2.gz YKYMYDLIIGQWNB-UHFFFAOYSA-N -1 3 373.420 2.500 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nc(C)c(C)s1 ZINC001588649093 1080139456 /nfs/dbraw/zinc/13/94/56/1080139456.db2.gz ZSHGBWYWLFVCRN-UHFFFAOYSA-N -1 3 354.439 2.768 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nc(C)c(C)s1 ZINC001588649093 1080139462 /nfs/dbraw/zinc/13/94/62/1080139462.db2.gz ZSHGBWYWLFVCRN-UHFFFAOYSA-N -1 3 354.439 2.768 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)C(F)(F)F ZINC001588649418 1080139542 /nfs/dbraw/zinc/13/95/42/1080139542.db2.gz MOIDRJTUIFJOAC-ZDUSSCGKSA-N -1 3 368.363 2.905 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)C(F)(F)F ZINC001588649418 1080139551 /nfs/dbraw/zinc/13/95/51/1080139551.db2.gz MOIDRJTUIFJOAC-ZDUSSCGKSA-N -1 3 368.363 2.905 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1ccc(C(F)(F)F)n1 ZINC001588652002 1080141777 /nfs/dbraw/zinc/14/17/77/1080141777.db2.gz DBEOQBGSMJOFQU-UHFFFAOYSA-N -1 3 363.347 2.728 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1ccc(C(F)(F)F)n1 ZINC001588652002 1080141780 /nfs/dbraw/zinc/14/17/80/1080141780.db2.gz DBEOQBGSMJOFQU-UHFFFAOYSA-N -1 3 363.347 2.728 20 30 FFEDHM C=C[C@@H](C(=O)[O-])N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001588669258 1080148521 /nfs/dbraw/zinc/14/85/21/1080148521.db2.gz HNVOJGNPRJGHAM-XHSDSOJGSA-N -1 3 364.417 2.757 20 30 FFEDHM C=CCn1c(C2CCC2)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588703876 1080162392 /nfs/dbraw/zinc/16/23/92/1080162392.db2.gz VJRAOFAALQUBLW-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c(C2CCC2)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588703876 1080162395 /nfs/dbraw/zinc/16/23/95/1080162395.db2.gz VJRAOFAALQUBLW-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM CC#CCCCC(=O)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588737027 1080176427 /nfs/dbraw/zinc/17/64/27/1080176427.db2.gz ILXYXLRTVOTTPO-UHFFFAOYSA-N -1 3 370.432 2.602 20 30 FFEDHM CC#CCCCC(=O)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588737027 1080176431 /nfs/dbraw/zinc/17/64/31/1080176431.db2.gz ILXYXLRTVOTTPO-UHFFFAOYSA-N -1 3 370.432 2.602 20 30 FFEDHM CC(C)(C#N)CCCOC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589033272 1080315795 /nfs/dbraw/zinc/31/57/95/1080315795.db2.gz DAQGMTIDUAINHD-INIZCTEOSA-N -1 3 368.441 2.709 20 30 FFEDHM CC(C)(C#N)CCCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589033230 1080315941 /nfs/dbraw/zinc/31/59/41/1080315941.db2.gz AUQKSEKYKDYHSC-MRXNPFEDSA-N -1 3 366.425 2.812 20 30 FFEDHM CC(C)(C#N)CCCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589033230 1080315946 /nfs/dbraw/zinc/31/59/46/1080315946.db2.gz AUQKSEKYKDYHSC-MRXNPFEDSA-N -1 3 366.425 2.812 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001589338618 1080488873 /nfs/dbraw/zinc/48/88/73/1080488873.db2.gz DWESDWUJHOFXSV-UHFFFAOYSA-N -1 3 371.372 2.581 20 30 FFEDHM C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC001590003795 1080930898 /nfs/dbraw/zinc/93/08/98/1080930898.db2.gz QABHVBGSBGPQHE-SCLBCKFNSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC001590003795 1080930906 /nfs/dbraw/zinc/93/09/06/1080930906.db2.gz QABHVBGSBGPQHE-SCLBCKFNSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC001590037582 1080962604 /nfs/dbraw/zinc/96/26/04/1080962604.db2.gz NSFSHBNPTYVYIJ-SSDOTTSWSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC001590037582 1080962610 /nfs/dbraw/zinc/96/26/10/1080962610.db2.gz NSFSHBNPTYVYIJ-SSDOTTSWSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cc(F)ccc1F ZINC001590037942 1080963233 /nfs/dbraw/zinc/96/32/33/1080963233.db2.gz TYPPOGCPJOEQJR-SSDOTTSWSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cc(F)ccc1F ZINC001590037942 1080963237 /nfs/dbraw/zinc/96/32/37/1080963237.db2.gz TYPPOGCPJOEQJR-SSDOTTSWSA-N -1 3 359.365 2.847 20 30 FFEDHM CC1(C2CC2)CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590122154 1081028842 /nfs/dbraw/zinc/02/88/42/1081028842.db2.gz ORZQSJXFLZEKET-MRXNPFEDSA-N -1 3 364.453 2.588 20 30 FFEDHM C[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)c2nccn21 ZINC001590180780 1081073410 /nfs/dbraw/zinc/07/34/10/1081073410.db2.gz JHPJGWANHCWVHL-QMMMGPOBSA-N -1 3 362.319 2.863 20 30 FFEDHM C[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c2nccn21 ZINC001590180780 1081073417 /nfs/dbraw/zinc/07/34/17/1081073417.db2.gz JHPJGWANHCWVHL-QMMMGPOBSA-N -1 3 362.319 2.863 20 30 FFEDHM N#Cc1ccnc(Sc2nnc([N-]CC(F)(F)F)s2)c1[N+](=O)[O-] ZINC000301662073 258061911 /nfs/dbraw/zinc/06/19/11/258061911.db2.gz UYARDANVLXVHFU-UHFFFAOYSA-N -1 3 362.318 2.838 20 30 FFEDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000330756732 258170122 /nfs/dbraw/zinc/17/01/22/258170122.db2.gz HOBNYNINKRLNDX-LRDDRELGSA-N -1 3 370.858 2.612 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c1 ZINC000331083482 258176909 /nfs/dbraw/zinc/17/69/09/258176909.db2.gz YVVLNJABOOUCQT-HIFRSBDPSA-N -1 3 356.875 2.821 20 30 FFEDHM CC[C@@](C)([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nc(C)cs1 ZINC000331124105 258178016 /nfs/dbraw/zinc/17/80/16/258178016.db2.gz HDTLKEBEBWFAFE-OAHLLOKOSA-N -1 3 350.469 2.630 20 30 FFEDHM Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c([O-])c1C ZINC000052677217 506227838 /nfs/dbraw/zinc/22/78/38/506227838.db2.gz AFYVVZITVDMCMP-UHFFFAOYSA-N -1 3 366.421 2.709 20 30 FFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000065044843 506253003 /nfs/dbraw/zinc/25/30/03/506253003.db2.gz IAUBKQGMFWIQSR-VIFPVBQESA-N -1 3 373.319 2.984 20 30 FFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000065044843 506253014 /nfs/dbraw/zinc/25/30/14/506253014.db2.gz IAUBKQGMFWIQSR-VIFPVBQESA-N -1 3 373.319 2.984 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000065044843 506253024 /nfs/dbraw/zinc/25/30/24/506253024.db2.gz IAUBKQGMFWIQSR-VIFPVBQESA-N -1 3 373.319 2.984 20 30 FFEDHM CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331148616 511045920 /nfs/dbraw/zinc/04/59/20/511045920.db2.gz HITVATBKIQFBKN-RKDXNWHRSA-N -1 3 351.398 2.844 20 30 FFEDHM CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331148616 511045924 /nfs/dbraw/zinc/04/59/24/511045924.db2.gz HITVATBKIQFBKN-RKDXNWHRSA-N -1 3 351.398 2.844 20 30 FFEDHM CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331148616 511045929 /nfs/dbraw/zinc/04/59/29/511045929.db2.gz HITVATBKIQFBKN-RKDXNWHRSA-N -1 3 351.398 2.844 20 30 FFEDHM COCC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000291617391 511269664 /nfs/dbraw/zinc/26/96/64/511269664.db2.gz AAYQUQFJOUIASH-UHFFFAOYSA-N -1 3 350.362 2.528 20 30 FFEDHM COc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000023450762 507354828 /nfs/dbraw/zinc/35/48/28/507354828.db2.gz YZKMHXMQAHRWMN-UHFFFAOYSA-N -1 3 365.433 2.621 20 30 FFEDHM CCc1ccc(-c2ccc(C(=O)Nc3nc(CC(=O)OC)n[n-]3)o2)cc1 ZINC000080332968 508066525 /nfs/dbraw/zinc/06/65/25/508066525.db2.gz WQBAWVQCGHOPTC-UHFFFAOYSA-N -1 3 354.366 2.979 20 30 FFEDHM CCc1ccc(-c2ccc(C(=O)Nc3nnc(CC(=O)OC)[n-]3)o2)cc1 ZINC000080332968 508066526 /nfs/dbraw/zinc/06/65/26/508066526.db2.gz WQBAWVQCGHOPTC-UHFFFAOYSA-N -1 3 354.366 2.979 20 30 FFEDHM CCc1ccc(-c2ccc(C(=O)Nc3n[n-]c(CC(=O)OC)n3)o2)cc1 ZINC000080332968 508066529 /nfs/dbraw/zinc/06/65/29/508066529.db2.gz WQBAWVQCGHOPTC-UHFFFAOYSA-N -1 3 354.366 2.979 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000111644932 508112899 /nfs/dbraw/zinc/11/28/99/508112899.db2.gz KWUOQWHRNZRYLX-UHFFFAOYSA-N -1 3 368.433 2.702 20 30 FFEDHM N#CCCN(C(=O)CCC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000076657315 508237409 /nfs/dbraw/zinc/23/74/09/508237409.db2.gz QFRZHCYOBCGPNE-UHFFFAOYSA-N -1 3 351.406 2.961 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000076921385 508262144 /nfs/dbraw/zinc/26/21/44/508262144.db2.gz ZLPXXXGUESPPPH-LBPRGKRZSA-N -1 3 372.462 2.822 20 30 FFEDHM CCO[C@@H]1C[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000127384972 508442625 /nfs/dbraw/zinc/44/26/25/508442625.db2.gz DSGSDOQHXUPYBD-ZWKOTPCHSA-N -1 3 371.481 2.602 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1coc(-c2ccccc2)n1 ZINC000121965323 508458799 /nfs/dbraw/zinc/45/87/99/508458799.db2.gz ALAQDRJKMZFFQX-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)Cc1cccs1 ZINC000122242534 508504815 /nfs/dbraw/zinc/50/48/15/508504815.db2.gz HIKSWPDSVPOXFT-NSHDSACASA-N -1 3 365.436 2.685 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000128159877 508555517 /nfs/dbraw/zinc/55/55/17/508555517.db2.gz DHYDDPWWAAMEST-INIZCTEOSA-N -1 3 366.483 2.734 20 30 FFEDHM COc1ccc([C@@H](C#N)N2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000122638429 508565511 /nfs/dbraw/zinc/56/55/11/508565511.db2.gz KMTYVEUUTYULPU-LJQANCHMSA-N -1 3 365.433 2.732 20 30 FFEDHM N#Cc1c(F)cccc1N1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000136154800 508674481 /nfs/dbraw/zinc/67/44/81/508674481.db2.gz CESSKRBVEOTZRZ-UHFFFAOYSA-N -1 3 373.815 2.948 20 30 FFEDHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000129446106 508727731 /nfs/dbraw/zinc/72/77/31/508727731.db2.gz PIMXOAKBIILNJY-CYBMUJFWSA-N -1 3 364.448 2.858 20 30 FFEDHM N#CC(=C([O-])c1ccnc(OCC(F)F)c1)c1nnc2n1CCCCC2 ZINC000137090969 508736675 /nfs/dbraw/zinc/73/66/75/508736675.db2.gz BQSQLUVRBQLRFO-GFCCVEGCSA-N -1 3 361.352 2.533 20 30 FFEDHM C=CCNC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000154436257 508784022 /nfs/dbraw/zinc/78/40/22/508784022.db2.gz PWXXURUJDFGWFB-UHFFFAOYSA-N -1 3 365.349 2.639 20 30 FFEDHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000124316633 508814291 /nfs/dbraw/zinc/81/42/91/508814291.db2.gz REVZSTRZDCHQQH-UHFFFAOYSA-N -1 3 370.446 2.876 20 30 FFEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccco1 ZINC000151111540 508959376 /nfs/dbraw/zinc/95/93/76/508959376.db2.gz WIUWTOOBUIEPBW-HNNXBMFYSA-N -1 3 365.430 2.652 20 30 FFEDHM Cc1ccc(C[C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000127000642 509157211 /nfs/dbraw/zinc/15/72/11/509157211.db2.gz TUISLJPLHPCJFB-NSHDSACASA-N -1 3 357.479 2.913 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cccnc3C(F)(F)F)n2)cc1 ZINC000188954642 509340167 /nfs/dbraw/zinc/34/01/67/509340167.db2.gz ZLIXSDVLXJUEMR-UHFFFAOYSA-N -1 3 372.310 2.864 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000189187472 509454303 /nfs/dbraw/zinc/45/43/03/509454303.db2.gz TWOWKXIGEASYLC-UHFFFAOYSA-N -1 3 371.481 2.746 20 30 FFEDHM C=CC1CCN(C(=O)C(=O)[N-]c2scc(C3CC3)c2C(=O)OC)CC1 ZINC000176396706 509485121 /nfs/dbraw/zinc/48/51/21/509485121.db2.gz MWJGYXOUBCRQCF-UHFFFAOYSA-N -1 3 362.451 2.775 20 30 FFEDHM Cc1cnc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)s1 ZINC000173614027 509675842 /nfs/dbraw/zinc/67/58/42/509675842.db2.gz WMFIZGIJMVWOSQ-QGZVFWFLSA-N -1 3 370.478 2.828 20 30 FFEDHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180098146 509750545 /nfs/dbraw/zinc/75/05/45/509750545.db2.gz MNKPVUWXRADHHH-BBRMVZONSA-N -1 3 356.875 2.941 20 30 FFEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCCCOC([O-])=NC(N)=O)n1 ZINC000265005108 509819358 /nfs/dbraw/zinc/81/93/58/509819358.db2.gz NEUUDBMMIQVRDR-UHFFFAOYSA-N -1 3 362.333 2.568 20 30 FFEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCCCOC(=O)N=C(N)[O-])n1 ZINC000265005108 509819362 /nfs/dbraw/zinc/81/93/62/509819362.db2.gz NEUUDBMMIQVRDR-UHFFFAOYSA-N -1 3 362.333 2.568 20 30 FFEDHM Cc1cc(C(F)(F)F)c(C#N)c(SCCCOC(=O)[N-]C(N)=O)n1 ZINC000265005108 509819368 /nfs/dbraw/zinc/81/93/68/509819368.db2.gz NEUUDBMMIQVRDR-UHFFFAOYSA-N -1 3 362.333 2.568 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000186659404 509832719 /nfs/dbraw/zinc/83/27/19/509832719.db2.gz FGHOKLKHEAQKKE-IBGZPJMESA-N -1 3 364.449 2.572 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCCC#N ZINC000190623358 510246023 /nfs/dbraw/zinc/24/60/23/510246023.db2.gz SITPVNHLRTXMJC-GFCCVEGCSA-N -1 3 360.863 2.726 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000265899046 510288603 /nfs/dbraw/zinc/28/86/03/510288603.db2.gz XUHUQRYCTFPYOS-NSHDSACASA-N -1 3 370.450 2.526 20 30 FFEDHM Cc1ccc(N2CCC[C@@H](/N=C/c3c([O-])c(C)ncc3CO)C2=O)cc1 ZINC000266023174 510366024 /nfs/dbraw/zinc/36/60/24/510366024.db2.gz PVDOEVUVENRXPT-NMONLQQWSA-N -1 3 353.422 2.511 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000190864297 510381244 /nfs/dbraw/zinc/38/12/44/510381244.db2.gz XDQOWHWZWNFBET-DGCLKSJQSA-N -1 3 360.863 2.724 20 30 FFEDHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000191008211 510463124 /nfs/dbraw/zinc/46/31/24/510463124.db2.gz VWFAFAYCTMOZOJ-CXAGYDPISA-N -1 3 370.446 2.602 20 30 FFEDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000187850964 510468918 /nfs/dbraw/zinc/46/89/18/510468918.db2.gz YJWMVWNHNCWNOK-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM C=CCN(CC=C)[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)C(C)C ZINC000262957327 510495002 /nfs/dbraw/zinc/49/50/02/510495002.db2.gz IRQQTOZKLCAMIU-OFLPRAFFSA-N -1 3 351.491 2.628 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000191092511 510501438 /nfs/dbraw/zinc/50/14/38/510501438.db2.gz NZSHCUFQXVONCF-ZUZCIYMTSA-N -1 3 356.469 2.594 20 30 FFEDHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000191161356 510529229 /nfs/dbraw/zinc/52/92/29/510529229.db2.gz JZLNPYNHEKKWDK-UHFFFAOYSA-N -1 3 359.376 2.746 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c1 ZINC000184901945 510573592 /nfs/dbraw/zinc/57/35/92/510573592.db2.gz MZDBJOYFYGMIEW-HNNXBMFYSA-N -1 3 364.854 2.656 20 30 FFEDHM N#Cc1cccnc1N1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000184928502 510590762 /nfs/dbraw/zinc/59/07/62/510590762.db2.gz ZLDWASBGMIUZDG-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182011435 510706073 /nfs/dbraw/zinc/70/60/73/510706073.db2.gz YBYZOXFMPLLGLV-IINYFYTJSA-N -1 3 357.819 2.999 20 30 FFEDHM CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188374598 510734986 /nfs/dbraw/zinc/73/49/86/510734986.db2.gz MZEIXYPXBVEMER-IBGZPJMESA-N -1 3 364.449 2.786 20 30 FFEDHM N#CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000275402190 510898751 /nfs/dbraw/zinc/89/87/51/510898751.db2.gz OFYQGAZQYWCWEU-AWEZNQCLSA-N -1 3 372.874 2.870 20 30 FFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000285473240 510921227 /nfs/dbraw/zinc/92/12/27/510921227.db2.gz BHASCKGELFIBCZ-MRXNPFEDSA-N -1 3 355.435 2.781 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([O-])c1 ZINC000331236020 511051914 /nfs/dbraw/zinc/05/19/14/511051914.db2.gz LQLJOSVUEZWKTH-RDJZCZTQSA-N -1 3 362.470 2.651 20 30 FFEDHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000331347320 511064543 /nfs/dbraw/zinc/06/45/43/511064543.db2.gz SDVCFEIMTYKITQ-LDYMZIIASA-N -1 3 363.317 2.584 20 30 FFEDHM Cn1c2cc([O-])c(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2n(C)c1=O ZINC000291447777 511201799 /nfs/dbraw/zinc/20/17/99/511201799.db2.gz CGVJYNPSJAICPC-UHFFFAOYSA-N -1 3 364.405 2.636 20 30 FFEDHM Cc1cc(C2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)[nH]n1 ZINC000272043533 511411712 /nfs/dbraw/zinc/41/17/12/511411712.db2.gz CULPJTXCWJGJKE-UHFFFAOYSA-N -1 3 367.453 2.646 20 30 FFEDHM Cc1cc(C2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)n[nH]1 ZINC000272043533 511411716 /nfs/dbraw/zinc/41/17/16/511411716.db2.gz CULPJTXCWJGJKE-UHFFFAOYSA-N -1 3 367.453 2.646 20 30 FFEDHM CCN(CC#N)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272734736 511506786 /nfs/dbraw/zinc/50/67/86/511506786.db2.gz HIOXZJBZUNRGKF-GOSISDBHSA-N -1 3 351.406 2.625 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000306046135 511758106 /nfs/dbraw/zinc/75/81/06/511758106.db2.gz RAOPIFHJHAGIAU-SNVBAGLBSA-N -1 3 351.653 2.929 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000311621937 511778115 /nfs/dbraw/zinc/77/81/15/511778115.db2.gz IPVSXAMBEMWZDY-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM Cc1noc(C)c1Cc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000350470718 511818586 /nfs/dbraw/zinc/81/85/86/511818586.db2.gz CRLDYBCFCQYVPK-UHFFFAOYSA-N -1 3 353.382 2.640 20 30 FFEDHM CCCc1nc(C)c(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)o1 ZINC000293178488 511870413 /nfs/dbraw/zinc/87/04/13/511870413.db2.gz AJKHHWLUQTZLSB-UHFFFAOYSA-N -1 3 350.382 2.699 20 30 FFEDHM CC(=O)N1CCC[C@H](C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000328738149 511924642 /nfs/dbraw/zinc/92/46/42/511924642.db2.gz KQBAYBOXJPAEDE-IFXJQAMLSA-N -1 3 372.425 2.501 20 30 FFEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000297061925 512005645 /nfs/dbraw/zinc/00/56/45/512005645.db2.gz VZVCSWDDABOGGI-UHFFFAOYSA-N -1 3 359.304 2.972 20 30 FFEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000297061925 512005647 /nfs/dbraw/zinc/00/56/47/512005647.db2.gz VZVCSWDDABOGGI-UHFFFAOYSA-N -1 3 359.304 2.972 20 30 FFEDHM CC1(C)C[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)C(C)(C)O1 ZINC000329556025 512068381 /nfs/dbraw/zinc/06/83/81/512068381.db2.gz QFUHHVMFRINREB-SOZUMNATSA-N -1 3 366.462 2.744 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000377862694 512487557 /nfs/dbraw/zinc/48/75/57/512487557.db2.gz ZRJIGSOQBKZJRX-BMGDILEWSA-N -1 3 357.454 2.528 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411400128 512617850 /nfs/dbraw/zinc/61/78/50/512617850.db2.gz IKBYCBYHXZJCGH-UHFFFAOYSA-N -1 3 353.426 2.599 20 30 FFEDHM C[C@@H](CF)NC(=O)C(=O)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000411532357 512677173 /nfs/dbraw/zinc/67/71/73/512677173.db2.gz YZDNKQHUJMTHHW-XVKPBYJWSA-N -1 3 374.256 2.899 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000369968671 512704110 /nfs/dbraw/zinc/70/41/10/512704110.db2.gz DLTDLYIIVPSMPD-GLQYFDAESA-N -1 3 353.344 2.618 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c(Cl)c1 ZINC000374457771 512841677 /nfs/dbraw/zinc/84/16/77/512841677.db2.gz WMQBLQLLAPKOED-OAHLLOKOSA-N -1 3 354.859 2.839 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000388692464 512897892 /nfs/dbraw/zinc/89/78/92/512897892.db2.gz SJVOCBIEAKYGOZ-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421244428 513174035 /nfs/dbraw/zinc/17/40/35/513174035.db2.gz GBKKKTLLLZQGAR-CYBMUJFWSA-N -1 3 350.774 2.912 20 30 FFEDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000440378636 513304484 /nfs/dbraw/zinc/30/44/84/513304484.db2.gz AOPDPQVYQFBGFG-OLZOCXBDSA-N -1 3 362.373 2.669 20 30 FFEDHM C=CCCn1cc(C(=O)N=c2cc(-c3ccc(CCC)cc3)[n-][nH]2)nn1 ZINC000425139305 513425594 /nfs/dbraw/zinc/42/55/94/513425594.db2.gz BQOIKIQCPIEFRL-UHFFFAOYSA-N -1 3 350.426 2.871 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)F ZINC000451084994 513507756 /nfs/dbraw/zinc/50/77/56/513507756.db2.gz RYDVYCIQUSCJKI-JTQLQIEISA-N -1 3 353.188 2.643 20 30 FFEDHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000435426884 513581464 /nfs/dbraw/zinc/58/14/64/513581464.db2.gz KJVQEIAVGWEIKS-DLBZAZTESA-N -1 3 360.410 2.930 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCCC2)s1 ZINC000435433953 513586398 /nfs/dbraw/zinc/58/63/98/513586398.db2.gz VLGBNXTXCATPBL-CQSZACIVSA-N -1 3 365.480 2.718 20 30 FFEDHM C[C@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1 ZINC000435433619 513586724 /nfs/dbraw/zinc/58/67/24/513586724.db2.gz OMEIRPVUVOWSSK-SUMWQHHRSA-N -1 3 364.492 2.528 20 30 FFEDHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435441626 513589182 /nfs/dbraw/zinc/58/91/82/513589182.db2.gz CYCCQBGBANPCQG-UHFFFAOYSA-N -1 3 364.448 2.570 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000435446880 513592935 /nfs/dbraw/zinc/59/29/35/513592935.db2.gz MRJTYUPZUXTLST-LBPRGKRZSA-N -1 3 363.266 2.594 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)s1 ZINC000435448016 513593464 /nfs/dbraw/zinc/59/34/64/513593464.db2.gz SNACIICQJKOFES-UHFFFAOYSA-N -1 3 371.443 2.690 20 30 FFEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(-n3cnnn3)c2)s1 ZINC000430596985 513701266 /nfs/dbraw/zinc/70/12/66/513701266.db2.gz KOTPCJCFEJYHOD-CYBMUJFWSA-N -1 3 352.423 2.906 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCCCO1 ZINC000416456411 513780595 /nfs/dbraw/zinc/78/05/95/513780595.db2.gz MAWZEXDOBGCOQV-GWCFXTLKSA-N -1 3 373.272 2.557 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457525 513781445 /nfs/dbraw/zinc/78/14/45/513781445.db2.gz OIPZICFKZNBOMW-VIFPVBQESA-N -1 3 351.306 2.584 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443054226 513855845 /nfs/dbraw/zinc/85/58/45/513855845.db2.gz YYYNHWJOJSLTAI-JTQLQIEISA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443054226 513855851 /nfs/dbraw/zinc/85/58/51/513855851.db2.gz YYYNHWJOJSLTAI-JTQLQIEISA-N -1 3 355.851 2.543 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccs1 ZINC000443112137 513874675 /nfs/dbraw/zinc/87/46/75/513874675.db2.gz VPZAPYMIRIPUGW-CYBMUJFWSA-N -1 3 369.899 2.854 20 30 FFEDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OC ZINC000451640309 513879848 /nfs/dbraw/zinc/87/98/48/513879848.db2.gz OTGNBIZEVKZEBO-NSHDSACASA-N -1 3 350.362 2.670 20 30 FFEDHM C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443128568 513881160 /nfs/dbraw/zinc/88/11/60/513881160.db2.gz LVGUPJRBZQVPOI-OLZOCXBDSA-N -1 3 351.428 2.961 20 30 FFEDHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416659332 513892506 /nfs/dbraw/zinc/89/25/06/513892506.db2.gz HMCOIERHZSTNFN-QGZVFWFLSA-N -1 3 358.467 2.767 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)CC(C)(C)CC#N)sc1Br ZINC000451665095 513898068 /nfs/dbraw/zinc/89/80/68/513898068.db2.gz PPAWEXDFMKGJNW-UHFFFAOYSA-N -1 3 366.306 2.573 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000451733743 513946872 /nfs/dbraw/zinc/94/68/72/513946872.db2.gz HFTOVCBLSQPLRJ-ONGXEEELSA-N -1 3 361.236 2.949 20 30 FFEDHM Cc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c([O-])c1C ZINC000436745156 513964847 /nfs/dbraw/zinc/96/48/47/513964847.db2.gz AXMJEFLBBRLXFW-UHFFFAOYSA-N -1 3 350.353 2.880 20 30 FFEDHM CC(C)C1CCC([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000443497104 513979783 /nfs/dbraw/zinc/97/97/83/513979783.db2.gz IWFZSPCZULWWJJ-UHFFFAOYSA-N -1 3 351.428 2.960 20 30 FFEDHM CCc1ccc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c([O-])c1 ZINC000436828175 513999495 /nfs/dbraw/zinc/99/94/95/513999495.db2.gz XEZOVJYEBNQJSW-OAHLLOKOSA-N -1 3 370.405 2.975 20 30 FFEDHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000451818265 513999685 /nfs/dbraw/zinc/99/96/85/513999685.db2.gz OQGIYBWPZCIHBQ-DZGCQCFKSA-N -1 3 356.875 2.941 20 30 FFEDHM C=C(C)COc1cc(CN[C@H](Cn2nc(C)cc2C)C(=O)[O-])ccc1OC ZINC000426729686 514027003 /nfs/dbraw/zinc/02/70/03/514027003.db2.gz FYQWCWWHZHHORA-QGZVFWFLSA-N -1 3 373.453 2.706 20 30 FFEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436995512 514067786 /nfs/dbraw/zinc/06/77/86/514067786.db2.gz IRCUKHZMFXFRHQ-QGZVFWFLSA-N -1 3 371.824 2.774 20 30 FFEDHM CCOc1nc2cc(C(=O)NCc3ccc(C#N)c(OC)c3)ccc2[n-]1 ZINC000427151422 514133175 /nfs/dbraw/zinc/13/31/75/514133175.db2.gz DASRGEZWXQBGHL-UHFFFAOYSA-N -1 3 350.378 2.772 20 30 FFEDHM CCOc1nc2ccc(C(=O)NCc3ccc(C#N)c(OC)c3)cc2[n-]1 ZINC000427151422 514133182 /nfs/dbraw/zinc/13/31/82/514133182.db2.gz DASRGEZWXQBGHL-UHFFFAOYSA-N -1 3 350.378 2.772 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000452028942 514145307 /nfs/dbraw/zinc/14/53/07/514145307.db2.gz IELSPYZFSIKOCL-SNVBAGLBSA-N -1 3 368.680 2.708 20 30 FFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000452042582 514156100 /nfs/dbraw/zinc/15/61/00/514156100.db2.gz ONQHHQQIFCXPAB-ZDUSSCGKSA-N -1 3 359.875 3.000 20 30 FFEDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000420724763 514260655 /nfs/dbraw/zinc/26/06/55/514260655.db2.gz LFDIWVPKGILMRK-QWRGUYRKSA-N -1 3 373.272 2.557 20 30 FFEDHM N[C@@](C(=O)[N-]C(CF)CF)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000452329130 514287051 /nfs/dbraw/zinc/28/70/51/514287051.db2.gz YCOFLBJUXKNLCX-LLVKDONJSA-N -1 3 364.236 2.846 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000432888500 514314528 /nfs/dbraw/zinc/31/45/28/514314528.db2.gz UQCNQRCLZZBGDQ-UHFFFAOYSA-N -1 3 367.405 2.868 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000428409099 514468646 /nfs/dbraw/zinc/46/86/46/514468646.db2.gz UWNPXQPPUVTDKA-ZDUSSCGKSA-N -1 3 363.826 2.799 20 30 FFEDHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428413010 514469930 /nfs/dbraw/zinc/46/99/30/514469930.db2.gz JYMWIYKJFTYGEH-QFBILLFUSA-N -1 3 371.462 2.708 20 30 FFEDHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000445750874 514514851 /nfs/dbraw/zinc/51/48/51/514514851.db2.gz SYQFPTPLIALCTK-MRXNPFEDSA-N -1 3 356.875 2.821 20 30 FFEDHM CCOC(=O)c1cc(C(=O)[N-]c2snc(C)c2C#N)cc([N+](=O)[O-])c1 ZINC000439291394 514525007 /nfs/dbraw/zinc/52/50/07/514525007.db2.gz BNUHGNRCKRMSHD-UHFFFAOYSA-N -1 3 360.351 2.660 20 30 FFEDHM C=CCN1C(=O)c2ccc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)cc2C1=O ZINC000497860247 514663221 /nfs/dbraw/zinc/66/32/21/514663221.db2.gz MKLYIMCZYFEWMW-UHFFFAOYSA-N -1 3 372.384 2.533 20 30 FFEDHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCCCC#N)n2)cc1F ZINC000471892119 515045468 /nfs/dbraw/zinc/04/54/68/515045468.db2.gz FYFXUIBVWRWXTA-LBPRGKRZSA-N -1 3 366.418 2.858 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000503506896 515060444 /nfs/dbraw/zinc/06/04/44/515060444.db2.gz RJVYKGCLKVMULV-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000476514924 515083546 /nfs/dbraw/zinc/08/35/46/515083546.db2.gz SUHFGVRMYDKTAL-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1(CO)CCC1 ZINC000490132898 515117171 /nfs/dbraw/zinc/11/71/71/515117171.db2.gz MTITUTMUFGNYJZ-HNNXBMFYSA-N -1 3 356.875 2.677 20 30 FFEDHM Cc1ccoc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000490290353 515166020 /nfs/dbraw/zinc/16/60/20/515166020.db2.gz ICBSADAYKBSNAC-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000509623729 515262188 /nfs/dbraw/zinc/26/21/88/515262188.db2.gz RRYURZXGFOYXNM-UHFFFAOYSA-N -1 3 362.407 2.947 20 30 FFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(C(=O)OCC)cc(F)c1OC ZINC000472685905 515365018 /nfs/dbraw/zinc/36/50/18/515365018.db2.gz KMPAELYRSBYQSM-UHFFFAOYSA-N -1 3 359.419 2.646 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1C#N ZINC000505608152 515607556 /nfs/dbraw/zinc/60/75/56/515607556.db2.gz JLCBEOHTWGKRGW-WBMJQRKESA-N -1 3 370.478 2.802 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000487491325 515878309 /nfs/dbraw/zinc/87/83/09/515878309.db2.gz ZXIFEBUOKILSLP-CYBMUJFWSA-N -1 3 368.437 2.575 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1F ZINC000470257066 516186541 /nfs/dbraw/zinc/18/65/41/516186541.db2.gz YJVWPLQPXCGCGZ-UHFFFAOYSA-N -1 3 357.370 2.592 20 30 FFEDHM CC(C)(C#N)c1ccc(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)cc1 ZINC000502218984 516319736 /nfs/dbraw/zinc/31/97/36/516319736.db2.gz MBXXVOYYDNQYBY-UHFFFAOYSA-N -1 3 358.423 2.507 20 30 FFEDHM C=CCN(CCC#N)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000561015063 516337244 /nfs/dbraw/zinc/33/72/44/516337244.db2.gz JVSPCEKIGKSKKL-UHFFFAOYSA-N -1 3 360.211 2.832 20 30 FFEDHM N#CC(=C([O-])c1cccc([C@@H]2CCOC2)c1)c1nnc2n1CCCCC2 ZINC000535638138 516431734 /nfs/dbraw/zinc/43/17/34/516431734.db2.gz NAJSPQWBOZPKMK-SJORKVTESA-N -1 3 350.422 2.998 20 30 FFEDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)cn1 ZINC000550827774 516443438 /nfs/dbraw/zinc/44/34/38/516443438.db2.gz VBYDYNRSNQCNBZ-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM C[C@]1(c2ccc(CNc3c(F)cc(C#N)cc3F)cc2)NC(=O)[N-]C1=O ZINC000523579148 516511325 /nfs/dbraw/zinc/51/13/25/516511325.db2.gz SMZLDOUFKSAVET-GOSISDBHSA-N -1 3 356.332 2.503 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3ccnc3)cc2)n1 ZINC000540563960 516621368 /nfs/dbraw/zinc/62/13/68/516621368.db2.gz MRSXWPDZEDMCIG-CQSZACIVSA-N -1 3 366.402 2.996 20 30 FFEDHM COc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000532243641 516869908 /nfs/dbraw/zinc/86/99/08/516869908.db2.gz VNLYOYGJTMKHKW-UHFFFAOYSA-N -1 3 353.422 2.842 20 30 FFEDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000541310799 516982057 /nfs/dbraw/zinc/98/20/57/516982057.db2.gz LYZWLNBLGGSWSQ-CYBMUJFWSA-N -1 3 368.842 2.731 20 30 FFEDHM CC(C)N(CCC#N)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000537190963 517078896 /nfs/dbraw/zinc/07/88/96/517078896.db2.gz IXFWEUFZCCXJAO-UHFFFAOYSA-N -1 3 372.450 2.794 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(C)cn1 ZINC000533010001 517249617 /nfs/dbraw/zinc/24/96/17/517249617.db2.gz IMHGZWZZWVFHMV-UHFFFAOYSA-N -1 3 366.240 2.555 20 30 FFEDHM COc1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1[O-] ZINC000526946497 517402210 /nfs/dbraw/zinc/40/22/10/517402210.db2.gz KVGZDNKRJUKJOJ-UHFFFAOYSA-N -1 3 367.405 2.787 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1C#N ZINC000559989655 517520657 /nfs/dbraw/zinc/52/06/57/517520657.db2.gz AXDPBDWNLHFOSS-CVEARBPZSA-N -1 3 368.462 2.556 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1C#N ZINC000559989656 517521214 /nfs/dbraw/zinc/52/12/14/517521214.db2.gz AXDPBDWNLHFOSS-HOTGVXAUSA-N -1 3 368.462 2.556 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000538331790 517569827 /nfs/dbraw/zinc/56/98/27/517569827.db2.gz QKKIAFXCHPVNPV-OAHLLOKOSA-N -1 3 373.478 2.779 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(Br)cc1 ZINC000527355831 517655474 /nfs/dbraw/zinc/65/54/74/517655474.db2.gz RDHMVBAHZYTDMD-ZDUSSCGKSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(Br)cc1 ZINC000527355831 517655483 /nfs/dbraw/zinc/65/54/83/517655483.db2.gz RDHMVBAHZYTDMD-ZDUSSCGKSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Br)cc1 ZINC000527355831 517655491 /nfs/dbraw/zinc/65/54/91/517655491.db2.gz RDHMVBAHZYTDMD-ZDUSSCGKSA-N -1 3 356.183 2.715 20 30 FFEDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cn1C ZINC000527358504 517658499 /nfs/dbraw/zinc/65/84/99/517658499.db2.gz DRQOQOUETYXANA-UHFFFAOYSA-N -1 3 367.814 2.528 20 30 FFEDHM CC[C@H](CSC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000539222788 517951368 /nfs/dbraw/zinc/95/13/68/517951368.db2.gz ALNAIALUNHEJRV-SNVBAGLBSA-N -1 3 352.403 2.997 20 30 FFEDHM C=CCOc1cccnc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000539371124 518012739 /nfs/dbraw/zinc/01/27/39/518012739.db2.gz MFDSNFOOQVBDPU-UHFFFAOYSA-N -1 3 356.332 2.989 20 30 FFEDHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n(CCC#N)n1 ZINC000557462623 518018357 /nfs/dbraw/zinc/01/83/57/518018357.db2.gz YQDPEVVENRHBTA-UHFFFAOYSA-N -1 3 353.357 2.647 20 30 FFEDHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000539384709 518019576 /nfs/dbraw/zinc/01/95/76/518019576.db2.gz CROYBJBLSNWNBS-RDJZCZTQSA-N -1 3 360.410 2.930 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000550435632 518055144 /nfs/dbraw/zinc/05/51/44/518055144.db2.gz SSPUTGOTFZPFMT-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC000530984659 518083764 /nfs/dbraw/zinc/08/37/64/518083764.db2.gz KBRWYHAKUBMQKF-GOSISDBHSA-N -1 3 369.469 2.845 20 30 FFEDHM N#Cc1cccnc1OC1CCC(NC(=O)c2cc([O-])ccc2F)CC1 ZINC000578835326 518393757 /nfs/dbraw/zinc/39/37/57/518393757.db2.gz LRKWYYOAKYKALO-UHFFFAOYSA-N -1 3 355.369 2.918 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)SCC(=O)N2)c1nnc2n1CCCCC2 ZINC000584869937 518516605 /nfs/dbraw/zinc/51/66/05/518516605.db2.gz ARUIQLYFZGZRLC-LBPRGKRZSA-N -1 3 367.434 2.539 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000582060225 518569674 /nfs/dbraw/zinc/56/96/74/518569674.db2.gz YOYYQKPYJXSIJI-SGTLLEGYSA-N -1 3 360.410 2.833 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000579436855 518677755 /nfs/dbraw/zinc/67/77/55/518677755.db2.gz CVZHQGADTMUDJU-LBPRGKRZSA-N -1 3 354.859 2.839 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000579496762 518709144 /nfs/dbraw/zinc/70/91/44/518709144.db2.gz QPVZLVZHZDNACP-GOSISDBHSA-N -1 3 350.422 2.594 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000570730871 518752890 /nfs/dbraw/zinc/75/28/90/518752890.db2.gz LGNJMCCVAQNHSW-AWEZNQCLSA-N -1 3 371.245 2.877 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2)c1 ZINC000570730872 518753369 /nfs/dbraw/zinc/75/33/69/518753369.db2.gz LGNJMCCVAQNHSW-CQSZACIVSA-N -1 3 371.245 2.877 20 30 FFEDHM CC[C@]1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000582634321 518848013 /nfs/dbraw/zinc/84/80/13/518848013.db2.gz PGSGJNXKHOMLIP-HXUWFJFHSA-N -1 3 370.474 2.856 20 30 FFEDHM COC(=O)COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000569182961 519417409 /nfs/dbraw/zinc/41/74/09/519417409.db2.gz SERVDTCLDHRXKR-HNNXBMFYSA-N -1 3 361.357 2.672 20 30 FFEDHM CC(C)[C@@H](C#N)N1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000590954597 519456068 /nfs/dbraw/zinc/45/60/68/519456068.db2.gz WFARUWUACCICDH-GOSISDBHSA-N -1 3 351.454 2.515 20 30 FFEDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(Nc3ccccc3C#N)CC2)on1 ZINC000602899034 519959947 /nfs/dbraw/zinc/95/99/47/519959947.db2.gz RHUMBUIJQBKXLS-CQSZACIVSA-N -1 3 353.426 2.758 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2sc(C(=O)OCC)c(C)c2C#N)nn1 ZINC000591842189 520060042 /nfs/dbraw/zinc/06/00/42/520060042.db2.gz YLNGBXRDSFWCGP-UHFFFAOYSA-N -1 3 359.411 2.525 20 30 FFEDHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000594706200 520100989 /nfs/dbraw/zinc/10/09/89/520100989.db2.gz QHNSURIFNKADRT-KRWDZBQOSA-N -1 3 351.472 2.937 20 30 FFEDHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000608834133 520141083 /nfs/dbraw/zinc/14/10/83/520141083.db2.gz VIRZJGYXZCSISL-CMPLNLGQSA-N -1 3 362.373 2.813 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@@H](O)C(F)F ZINC000594777237 520150306 /nfs/dbraw/zinc/15/03/06/520150306.db2.gz PIOPGMVMWLTUCO-WCQYABFASA-N -1 3 374.434 2.764 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(NC(=O)CC2(C#N)CCCCC2)ccc1F ZINC000597639051 520150854 /nfs/dbraw/zinc/15/08/54/520150854.db2.gz DFSYSKAFDXULKL-UHFFFAOYSA-N -1 3 353.419 2.536 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000594852318 520189458 /nfs/dbraw/zinc/18/94/58/520189458.db2.gz KKQITXCQDJPOMN-RDJZCZTQSA-N -1 3 360.410 2.548 20 30 FFEDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1[N+](=O)[O-] ZINC000594884851 520206233 /nfs/dbraw/zinc/20/62/33/520206233.db2.gz XIGZRHQLLSSVPK-UHFFFAOYSA-N -1 3 351.428 2.964 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCCC#N ZINC000609146700 520209537 /nfs/dbraw/zinc/20/95/37/520209537.db2.gz VFLWHGDARRJKKN-UHFFFAOYSA-N -1 3 361.261 2.820 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000617034863 520295406 /nfs/dbraw/zinc/29/54/06/520295406.db2.gz FGUQHKFIAZOBBO-UONOGXRCSA-N -1 3 356.513 2.668 20 30 FFEDHM C[C@H](C#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000609523946 520342809 /nfs/dbraw/zinc/34/28/09/520342809.db2.gz BJMKFVXEBIUUIE-GFCCVEGCSA-N -1 3 361.398 2.516 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 ZINC000592351190 520346163 /nfs/dbraw/zinc/34/61/63/520346163.db2.gz CQKPPIWBSNURNG-QGZVFWFLSA-N -1 3 373.434 2.912 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000613267602 520418266 /nfs/dbraw/zinc/41/82/66/520418266.db2.gz UBZPBOWBALSMHG-NSHDSACASA-N -1 3 361.261 2.674 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000604170514 520467983 /nfs/dbraw/zinc/46/79/83/520467983.db2.gz AGVDDIUHJWAVDL-OAHLLOKOSA-N -1 3 351.366 2.978 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000604170514 520467995 /nfs/dbraw/zinc/46/79/95/520467995.db2.gz AGVDDIUHJWAVDL-OAHLLOKOSA-N -1 3 351.366 2.978 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000604170514 520468003 /nfs/dbraw/zinc/46/80/03/520468003.db2.gz AGVDDIUHJWAVDL-OAHLLOKOSA-N -1 3 351.366 2.978 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccc(O)cc2CC1 ZINC000604286420 520506212 /nfs/dbraw/zinc/50/62/12/520506212.db2.gz ZXFKMBIVXZIDOQ-UHFFFAOYSA-N -1 3 365.433 2.541 20 30 FFEDHM COc1ccc([O-])c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000598252502 520521453 /nfs/dbraw/zinc/52/14/53/520521453.db2.gz XKUPDJFALZWFNH-UHFFFAOYSA-N -1 3 352.390 2.708 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)c(F)c1 ZINC000610081482 520532591 /nfs/dbraw/zinc/53/25/91/520532591.db2.gz WOHDKYOAASFLTC-UHFFFAOYSA-N -1 3 370.352 2.820 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000592760672 520563981 /nfs/dbraw/zinc/56/39/81/520563981.db2.gz FXXJUSDBMNHIRQ-UHFFFAOYSA-N -1 3 353.806 2.724 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cnnn2)cc1)c1nc2cc(F)ccc2s1 ZINC000592973541 520666553 /nfs/dbraw/zinc/66/65/53/520666553.db2.gz HEBQSWGFPYDIHU-ZDUSSCGKSA-N -1 3 364.365 2.901 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1ccc(C)c(C)c1 ZINC000601394843 520771707 /nfs/dbraw/zinc/77/17/07/520771707.db2.gz XHROPULTPKLGAQ-GOSISDBHSA-N -1 3 372.446 2.562 20 30 FFEDHM COc1cccc([C@@H](CNC(=O)c2cc([O-])cc(C#N)c2)N2CCCC2)c1 ZINC000614293206 520895253 /nfs/dbraw/zinc/89/52/53/520895253.db2.gz BPDBSHCVGUROTF-HXUWFJFHSA-N -1 3 365.433 2.839 20 30 FFEDHM N#C[C@]1(F)CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000618244039 520959502 /nfs/dbraw/zinc/95/95/02/520959502.db2.gz AIVWJSPIVGTEHO-OAHLLOKOSA-N -1 3 369.274 2.504 20 30 FFEDHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593536462 521058629 /nfs/dbraw/zinc/05/86/29/521058629.db2.gz QRUOCOJVCVWWTH-UHFFFAOYSA-N -1 3 350.465 2.884 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCOCC1 ZINC000593549070 521068776 /nfs/dbraw/zinc/06/87/76/521068776.db2.gz QVNYKINQKZDYJD-UHFFFAOYSA-N -1 3 366.439 2.743 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000593571774 521082863 /nfs/dbraw/zinc/08/28/63/521082863.db2.gz BHLXVMFGRHSQIV-LBPRGKRZSA-N -1 3 352.412 2.951 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CC[C@@H]1CSc2ccccc2O1 ZINC000593613921 521107950 /nfs/dbraw/zinc/10/79/50/521107950.db2.gz YAJHANPGNSKESX-LLVKDONJSA-N -1 3 366.489 2.841 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCCC1 ZINC000593619593 521110528 /nfs/dbraw/zinc/11/05/28/521110528.db2.gz CYSWCCMUUOAOIB-UHFFFAOYSA-N -1 3 361.236 2.950 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)nc2)c2cc(F)ccc2O1 ZINC000593637403 521123167 /nfs/dbraw/zinc/12/31/67/521123167.db2.gz UNWRHMCOSRTQIU-OAHLLOKOSA-N -1 3 361.398 2.673 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593667434 521140647 /nfs/dbraw/zinc/14/06/47/521140647.db2.gz ZMIQXNBERXYJTA-UHFFFAOYSA-N -1 3 367.352 2.940 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000618717490 521198204 /nfs/dbraw/zinc/19/82/04/521198204.db2.gz YYJMMPYIBRBJBT-CQSZACIVSA-N -1 3 367.352 2.938 20 30 FFEDHM N#Cc1ccc(CSCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000602193833 521201743 /nfs/dbraw/zinc/20/17/43/521201743.db2.gz IQMFWVHJELHVTQ-UHFFFAOYSA-N -1 3 368.462 2.871 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000602195966 521204440 /nfs/dbraw/zinc/20/44/40/521204440.db2.gz SCHMPPMPRAAVCP-ZDUSSCGKSA-N -1 3 350.422 2.816 20 30 FFEDHM CC(C)(C)c1cc([N-]C(=O)c2cn(C[C@H]3CCOC3)nn2)c(C#N)s1 ZINC000602296475 521264045 /nfs/dbraw/zinc/26/40/45/521264045.db2.gz JHCRDGMVBOLSCF-LLVKDONJSA-N -1 3 359.455 2.798 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1Cc2cccc(C#N)c2C1 ZINC000593892346 521277262 /nfs/dbraw/zinc/27/72/62/521277262.db2.gz RDPBWMHLWKIGQV-UHFFFAOYSA-N -1 3 359.389 2.579 20 30 FFEDHM Cc1cnc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000594105528 521405829 /nfs/dbraw/zinc/40/58/29/521405829.db2.gz CKDPNGHUXSLTMJ-UHFFFAOYSA-N -1 3 352.438 2.579 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000619461560 521579308 /nfs/dbraw/zinc/57/93/08/521579308.db2.gz VXXBKEYVRDLVJW-UHFFFAOYSA-N -1 3 350.783 2.936 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1 ZINC000619461434 521579979 /nfs/dbraw/zinc/57/99/79/521579979.db2.gz BUVGJZFTJGFBOB-UHFFFAOYSA-N -1 3 364.810 2.978 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC000619548083 521764508 /nfs/dbraw/zinc/76/45/08/521764508.db2.gz JKEINRNBRGBNBE-ZDUSSCGKSA-N -1 3 356.856 2.939 20 30 FFEDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000619753126 521854905 /nfs/dbraw/zinc/85/49/05/521854905.db2.gz MRYSSKJUDNXXHN-UHFFFAOYSA-N -1 3 371.827 2.968 20 30 FFEDHM CC(=O)CCCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000632416334 522079618 /nfs/dbraw/zinc/07/96/18/522079618.db2.gz PRTMLOIITGSFPN-UHFFFAOYSA-N -1 3 373.272 2.748 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000629500199 522283888 /nfs/dbraw/zinc/28/38/88/522283888.db2.gz GCOAOHGFTWNDTD-DZKIICNBSA-N -1 3 350.484 2.694 20 30 FFEDHM C=CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000647741820 568279206 /nfs/dbraw/zinc/27/92/06/568279206.db2.gz KXELAHQIQZARFH-UHFFFAOYSA-N -1 3 370.883 2.899 20 30 FFEDHM FC(F)CNN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737639224 598911468 /nfs/dbraw/zinc/91/14/68/598911468.db2.gz PGRDRHZCELKSRE-UHFFFAOYSA-N -1 3 358.352 2.634 20 30 FFEDHM FC(F)CNN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737639224 598911470 /nfs/dbraw/zinc/91/14/70/598911470.db2.gz PGRDRHZCELKSRE-UHFFFAOYSA-N -1 3 358.352 2.634 20 30 FFEDHM Cc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737364547 598915215 /nfs/dbraw/zinc/91/52/15/598915215.db2.gz FSFTUSAARNNHDI-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM Cc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737364547 598915216 /nfs/dbraw/zinc/91/52/16/598915216.db2.gz FSFTUSAARNNHDI-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716258 598918956 /nfs/dbraw/zinc/91/89/56/598918956.db2.gz NXGQHUOPOVXHJV-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716258 598918958 /nfs/dbraw/zinc/91/89/58/598918958.db2.gz NXGQHUOPOVXHJV-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1-c1nnn[n-]1 ZINC000737715819 598920294 /nfs/dbraw/zinc/92/02/94/598920294.db2.gz FFGLDTIPYCKQES-UHFFFAOYSA-N -1 3 357.377 2.791 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1-c1nn[n-]n1 ZINC000737715819 598920298 /nfs/dbraw/zinc/92/02/98/598920298.db2.gz FFGLDTIPYCKQES-UHFFFAOYSA-N -1 3 357.377 2.791 20 30 FFEDHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737547058 598921268 /nfs/dbraw/zinc/92/12/68/598921268.db2.gz IFVNLZLKUYKHMH-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737547058 598921269 /nfs/dbraw/zinc/92/12/69/598921269.db2.gz IFVNLZLKUYKHMH-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736190663 598925401 /nfs/dbraw/zinc/92/54/01/598925401.db2.gz WYYHEEDTYQDYPD-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736190663 598925402 /nfs/dbraw/zinc/92/54/02/598925402.db2.gz WYYHEEDTYQDYPD-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM N#CCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000737692126 598928392 /nfs/dbraw/zinc/92/83/92/598928392.db2.gz CKFRCHNZVLSLFC-UHFFFAOYSA-N -1 3 374.404 2.574 20 30 FFEDHM N#CCN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000737692126 598928393 /nfs/dbraw/zinc/92/83/93/598928393.db2.gz CKFRCHNZVLSLFC-UHFFFAOYSA-N -1 3 374.404 2.574 20 30 FFEDHM COc1ccc(OC(F)F)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821839830 607253451 /nfs/dbraw/zinc/25/34/51/607253451.db2.gz ZDZWPEXEFSLQJN-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM COc1ccc(OC(F)F)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821839830 607253452 /nfs/dbraw/zinc/25/34/52/607253452.db2.gz ZDZWPEXEFSLQJN-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM COc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC(F)F ZINC000821712028 607253492 /nfs/dbraw/zinc/25/34/92/607253492.db2.gz CBYYOHIFJQWOKB-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM COc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1OC(F)F ZINC000821712028 607253493 /nfs/dbraw/zinc/25/34/93/607253493.db2.gz CBYYOHIFJQWOKB-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735425869 598947492 /nfs/dbraw/zinc/94/74/92/598947492.db2.gz IYGNQBPRMXGEJT-UHFFFAOYSA-N -1 3 355.423 2.556 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735425869 598947493 /nfs/dbraw/zinc/94/74/93/598947493.db2.gz IYGNQBPRMXGEJT-UHFFFAOYSA-N -1 3 355.423 2.556 20 30 FFEDHM C[C@@](C#N)(NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735503140 598969969 /nfs/dbraw/zinc/96/99/69/598969969.db2.gz HEHSHBYUMIIYGS-IBGZPJMESA-N -1 3 352.442 2.778 20 30 FFEDHM C[C@@](C#N)(NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735503140 598969971 /nfs/dbraw/zinc/96/99/71/598969971.db2.gz HEHSHBYUMIIYGS-IBGZPJMESA-N -1 3 352.442 2.778 20 30 FFEDHM CC#CCSc1nc2ccccc2c(=O)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000819765313 599122281 /nfs/dbraw/zinc/12/22/81/599122281.db2.gz OFVSMKWIHUCEIY-UHFFFAOYSA-N -1 3 374.429 2.681 20 30 FFEDHM CC#CCSc1nc2ccccc2c(=O)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000819765313 599122284 /nfs/dbraw/zinc/12/22/84/599122284.db2.gz OFVSMKWIHUCEIY-UHFFFAOYSA-N -1 3 374.429 2.681 20 30 FFEDHM C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409860 599146725 /nfs/dbraw/zinc/14/67/25/599146725.db2.gz NCBXBSPKQQJIFK-CXAGYDPISA-N -1 3 363.425 2.939 20 30 FFEDHM C=CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409860 599146727 /nfs/dbraw/zinc/14/67/27/599146727.db2.gz NCBXBSPKQQJIFK-CXAGYDPISA-N -1 3 363.425 2.939 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NC(C1CC1)C1CC1 ZINC000735420754 599157629 /nfs/dbraw/zinc/15/76/29/599157629.db2.gz SKWBNVNDYHOASG-UHFFFAOYSA-N -1 3 368.510 2.918 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NC(C1CC1)C1CC1 ZINC000735420754 599157631 /nfs/dbraw/zinc/15/76/31/599157631.db2.gz SKWBNVNDYHOASG-UHFFFAOYSA-N -1 3 368.510 2.918 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccnc3ccccc23)ccc1-c1nnn[n-]1 ZINC000737706075 599191716 /nfs/dbraw/zinc/19/17/16/599191716.db2.gz VVTHOOFSUOBKQD-VMPITWQZSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccnc3ccccc23)ccc1-c1nn[n-]n1 ZINC000737706075 599191720 /nfs/dbraw/zinc/19/17/20/599191720.db2.gz VVTHOOFSUOBKQD-VMPITWQZSA-N -1 3 367.372 2.938 20 30 FFEDHM CS[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000737171379 599193374 /nfs/dbraw/zinc/19/33/74/599193374.db2.gz OLGBBKRVXDAYHX-OAHLLOKOSA-N -1 3 350.407 2.781 20 30 FFEDHM CS[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000737171379 599193376 /nfs/dbraw/zinc/19/33/76/599193376.db2.gz OLGBBKRVXDAYHX-OAHLLOKOSA-N -1 3 350.407 2.781 20 30 FFEDHM N#Cc1cc(NC(=O)C(F)(F)c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737706719 599194861 /nfs/dbraw/zinc/19/48/61/599194861.db2.gz YHSBCUFEGISQBM-UHFFFAOYSA-N -1 3 358.283 2.608 20 30 FFEDHM N#Cc1cc(NC(=O)C(F)(F)c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737706719 599194863 /nfs/dbraw/zinc/19/48/63/599194863.db2.gz YHSBCUFEGISQBM-UHFFFAOYSA-N -1 3 358.283 2.608 20 30 FFEDHM CCC(CC)n1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC000820897698 607315955 /nfs/dbraw/zinc/31/59/55/607315955.db2.gz MGDMPZLLAQDSKQ-UHFFFAOYSA-N -1 3 350.386 2.548 20 30 FFEDHM CCC(CC)n1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC000820897698 607315956 /nfs/dbraw/zinc/31/59/56/607315956.db2.gz MGDMPZLLAQDSKQ-UHFFFAOYSA-N -1 3 350.386 2.548 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819856359 607323192 /nfs/dbraw/zinc/32/31/92/607323192.db2.gz JEUBWSNGTYAHHD-ZDUSSCGKSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819856359 607323193 /nfs/dbraw/zinc/32/31/93/607323193.db2.gz JEUBWSNGTYAHHD-ZDUSSCGKSA-N -1 3 363.377 2.762 20 30 FFEDHM CN(CC#N)C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000736778252 598231324 /nfs/dbraw/zinc/23/13/24/598231324.db2.gz BNZOTQRAXXOUGZ-UHFFFAOYSA-N -1 3 364.434 2.755 20 30 FFEDHM CN(CC#N)C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000736778252 598231326 /nfs/dbraw/zinc/23/13/26/598231326.db2.gz BNZOTQRAXXOUGZ-UHFFFAOYSA-N -1 3 364.434 2.755 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(C(F)(F)F)CC1 ZINC000735418412 598295037 /nfs/dbraw/zinc/29/50/37/598295037.db2.gz DDTPAVXFMFHRJQ-UHFFFAOYSA-N -1 3 351.332 2.724 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(C(F)(F)F)CC1 ZINC000735418412 598295039 /nfs/dbraw/zinc/29/50/39/598295039.db2.gz DDTPAVXFMFHRJQ-UHFFFAOYSA-N -1 3 351.332 2.724 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000737065021 598315780 /nfs/dbraw/zinc/31/57/80/598315780.db2.gz GHCYNBGOHALOPI-VURMDHGXSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000737065021 598315782 /nfs/dbraw/zinc/31/57/82/598315782.db2.gz GHCYNBGOHALOPI-VURMDHGXSA-N -1 3 363.377 2.730 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737718962 598419967 /nfs/dbraw/zinc/41/99/67/598419967.db2.gz QRORZKMJCBUWTF-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737718962 598419969 /nfs/dbraw/zinc/41/99/69/598419969.db2.gz QRORZKMJCBUWTF-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nnn[n-]4)cn3)sc2C1 ZINC000736278218 598436432 /nfs/dbraw/zinc/43/64/32/598436432.db2.gz FSHOBAQKXWTUFO-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)cn3)sc2C1 ZINC000736278218 598436434 /nfs/dbraw/zinc/43/64/34/598436434.db2.gz FSHOBAQKXWTUFO-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM N#Cc1ccc(NCCNc2ccc(-c3nnn[n-]3)cn2)cc1C(F)(F)F ZINC000737718436 598573893 /nfs/dbraw/zinc/57/38/93/598573893.db2.gz JIXOTULUSUGIKV-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1ccc(NCCNc2ccc(-c3nn[n-]n3)cn2)cc1C(F)(F)F ZINC000737718436 598573895 /nfs/dbraw/zinc/57/38/95/598573895.db2.gz JIXOTULUSUGIKV-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccnc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201685 598639252 /nfs/dbraw/zinc/63/92/52/598639252.db2.gz GZABOGYQKKYQFW-SREVYHEPSA-N -1 3 354.801 2.867 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccnc2Cl)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201685 598639254 /nfs/dbraw/zinc/63/92/54/598639254.db2.gz GZABOGYQKKYQFW-SREVYHEPSA-N -1 3 354.801 2.867 20 30 FFEDHM CCn1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1C ZINC000736727015 598640303 /nfs/dbraw/zinc/64/03/03/598640303.db2.gz AAAOCBFVYHHXEB-CMDGGOBGSA-N -1 3 365.441 2.652 20 30 FFEDHM CCn1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1C ZINC000736727015 598640305 /nfs/dbraw/zinc/64/03/05/598640305.db2.gz AAAOCBFVYHHXEB-CMDGGOBGSA-N -1 3 365.441 2.652 20 30 FFEDHM C=CC1CCN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000735402890 598666172 /nfs/dbraw/zinc/66/61/72/598666172.db2.gz MERQAVOXGACXKS-QGZVFWFLSA-N -1 3 355.442 2.695 20 30 FFEDHM C=CC1CCN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000735402890 598666174 /nfs/dbraw/zinc/66/61/74/598666174.db2.gz MERQAVOXGACXKS-QGZVFWFLSA-N -1 3 355.442 2.695 20 30 FFEDHM N#CCCN(CC1CC1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737685109 598688865 /nfs/dbraw/zinc/68/88/65/598688865.db2.gz AIUWEXZSCFWETH-UHFFFAOYSA-N -1 3 368.441 2.568 20 30 FFEDHM N#CCCN(CC1CC1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737685109 598688867 /nfs/dbraw/zinc/68/88/67/598688867.db2.gz AIUWEXZSCFWETH-UHFFFAOYSA-N -1 3 368.441 2.568 20 30 FFEDHM C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736156772 598735079 /nfs/dbraw/zinc/73/50/79/598735079.db2.gz WVHISUFBDMBGRQ-ZDUSSCGKSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736156772 598735081 /nfs/dbraw/zinc/73/50/81/598735081.db2.gz WVHISUFBDMBGRQ-ZDUSSCGKSA-N -1 3 363.377 2.616 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735416869 598752564 /nfs/dbraw/zinc/75/25/64/598752564.db2.gz SCIVRPIFIRVFCB-UHFFFAOYSA-N -1 3 355.442 2.840 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735416869 598752565 /nfs/dbraw/zinc/75/25/65/598752565.db2.gz SCIVRPIFIRVFCB-UHFFFAOYSA-N -1 3 355.442 2.840 20 30 FFEDHM CC(C)CCN(CCC#N)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735803930 598755538 /nfs/dbraw/zinc/75/55/38/598755538.db2.gz MITVLCUGECZTET-UHFFFAOYSA-N -1 3 364.457 2.949 20 30 FFEDHM CC(C)CCN(CCC#N)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735803930 598755539 /nfs/dbraw/zinc/75/55/39/598755539.db2.gz MITVLCUGECZTET-UHFFFAOYSA-N -1 3 364.457 2.949 20 30 FFEDHM CSCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737177511 598785715 /nfs/dbraw/zinc/78/57/15/598785715.db2.gz SKKYRTSFGQKJQP-LBPRGKRZSA-N -1 3 370.463 2.920 20 30 FFEDHM CSCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737177511 598785717 /nfs/dbraw/zinc/78/57/17/598785717.db2.gz SKKYRTSFGQKJQP-LBPRGKRZSA-N -1 3 370.463 2.920 20 30 FFEDHM C=C(Cl)CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402172 599389456 /nfs/dbraw/zinc/38/94/56/599389456.db2.gz KYPJCFBBRBXDNC-UHFFFAOYSA-N -1 3 369.812 2.928 20 30 FFEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735402371 599500989 /nfs/dbraw/zinc/50/09/89/599500989.db2.gz STRYVCRZHDRFRJ-UHFFFAOYSA-N -1 3 371.788 2.928 20 30 FFEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735402371 599500992 /nfs/dbraw/zinc/50/09/92/599500992.db2.gz STRYVCRZHDRFRJ-UHFFFAOYSA-N -1 3 371.788 2.928 20 30 FFEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(OCC#N)cc1 ZINC000822334436 599521499 /nfs/dbraw/zinc/52/14/99/599521499.db2.gz CXKJQJXMVRXBSQ-UHFFFAOYSA-N -1 3 371.404 2.660 20 30 FFEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(OCC#N)cc1 ZINC000822334436 599521501 /nfs/dbraw/zinc/52/15/01/599521501.db2.gz CXKJQJXMVRXBSQ-UHFFFAOYSA-N -1 3 371.404 2.660 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)ccc1-c1nnn[n-]1 ZINC000822823707 599631444 /nfs/dbraw/zinc/63/14/44/599631444.db2.gz XUXJITSHYBVTSE-NQIIRXRSSA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)ccc1-c1nn[n-]n1 ZINC000822823707 599631445 /nfs/dbraw/zinc/63/14/45/599631445.db2.gz XUXJITSHYBVTSE-NQIIRXRSSA-N -1 3 370.416 2.971 20 30 FFEDHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820249576 599689617 /nfs/dbraw/zinc/68/96/17/599689617.db2.gz XBNQFALRDXMPDI-CYBMUJFWSA-N -1 3 362.393 2.782 20 30 FFEDHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820249576 599689618 /nfs/dbraw/zinc/68/96/18/599689618.db2.gz XBNQFALRDXMPDI-CYBMUJFWSA-N -1 3 362.393 2.782 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000826252755 607413109 /nfs/dbraw/zinc/41/31/09/607413109.db2.gz QECFMOBVFOMYLY-CYBMUJFWSA-N -1 3 363.377 2.558 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000826252755 607413110 /nfs/dbraw/zinc/41/31/10/607413110.db2.gz QECFMOBVFOMYLY-CYBMUJFWSA-N -1 3 363.377 2.558 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](C)Oc1ccccc1C#N ZINC000826252756 607413344 /nfs/dbraw/zinc/41/33/44/607413344.db2.gz QECFMOBVFOMYLY-ZDUSSCGKSA-N -1 3 363.377 2.558 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](C)Oc1ccccc1C#N ZINC000826252756 607413345 /nfs/dbraw/zinc/41/33/45/607413345.db2.gz QECFMOBVFOMYLY-ZDUSSCGKSA-N -1 3 363.377 2.558 20 30 FFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cccc(C(F)(F)F)n1 ZINC000822741492 607465451 /nfs/dbraw/zinc/46/54/51/607465451.db2.gz XRKOXLYVTSTXFS-UHFFFAOYSA-N -1 3 351.267 2.866 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826386802 607523385 /nfs/dbraw/zinc/52/33/85/607523385.db2.gz SZHCJPZKULIQQU-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826386802 607523387 /nfs/dbraw/zinc/52/33/87/607523387.db2.gz SZHCJPZKULIQQU-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl)NC(=O)[O-] ZINC000738738803 602925397 /nfs/dbraw/zinc/92/53/97/602925397.db2.gz KTNKOVFZRPUPAS-JTQLQIEISA-N -1 3 351.790 2.814 20 30 FFEDHM C=C(Br)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833367221 604617048 /nfs/dbraw/zinc/61/70/48/604617048.db2.gz JHXULAMXHCMSFW-MRXNPFEDSA-N -1 3 353.260 2.604 20 30 FFEDHM C#CCOc1ccccc1CN[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833366580 605300954 /nfs/dbraw/zinc/30/09/54/605300954.db2.gz DTJAWXYEXIKAMX-HNNXBMFYSA-N -1 3 366.417 2.904 20 30 FFEDHM O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826457812 607746735 /nfs/dbraw/zinc/74/67/35/607746735.db2.gz QXTOUZHOXSYAAM-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826457812 607746736 /nfs/dbraw/zinc/74/67/36/607746736.db2.gz QXTOUZHOXSYAAM-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM N#Cc1ccc(-c2ccn(CN3C[C@@H]4CCC[C@@H](NC(=O)[O-])[C@@H]4C3)n2)cc1 ZINC000833974706 605325882 /nfs/dbraw/zinc/32/58/82/605325882.db2.gz NMJCQWYDBMBCIJ-YQVWRLOYSA-N -1 3 365.437 2.747 20 30 FFEDHM CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916078 605472966 /nfs/dbraw/zinc/47/29/66/605472966.db2.gz DPSSBOFDLYOYAG-UHFFFAOYSA-N -1 3 369.425 2.963 20 30 FFEDHM C#CCCCCCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833361736 605623798 /nfs/dbraw/zinc/62/37/98/605623798.db2.gz JOOYJNZXBANCNG-NRFANRHFSA-N -1 3 356.466 2.806 20 30 FFEDHM Cc1oc(NC(=O)CN[C@]2(CNC(=O)[O-])CCCC[C@H]2C)c(C#N)c1C ZINC000833934432 605763543 /nfs/dbraw/zinc/76/35/43/605763543.db2.gz JZGQLGQYWBRHGB-ZMZPIMSZSA-N -1 3 362.430 2.513 20 30 FFEDHM CCN(CCC#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821207380 606153664 /nfs/dbraw/zinc/15/36/64/606153664.db2.gz MKAFGICPZHOZRR-UHFFFAOYSA-N -1 3 353.308 2.653 20 30 FFEDHM CCN(CCC#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821207380 606153665 /nfs/dbraw/zinc/15/36/65/606153665.db2.gz MKAFGICPZHOZRR-UHFFFAOYSA-N -1 3 353.308 2.653 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4nnn[n-]4)cn3C)sc2C1 ZINC000820728448 606208283 /nfs/dbraw/zinc/20/82/83/606208283.db2.gz VYHCURQAPAPLLF-SECBINFHSA-N -1 3 367.438 2.515 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4nn[n-]n4)cn3C)sc2C1 ZINC000820728448 606208284 /nfs/dbraw/zinc/20/82/84/606208284.db2.gz VYHCURQAPAPLLF-SECBINFHSA-N -1 3 367.438 2.515 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820220697 606250809 /nfs/dbraw/zinc/25/08/09/606250809.db2.gz XFLMHKBJVGUFQR-NSHDSACASA-N -1 3 367.438 2.852 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820220697 606250811 /nfs/dbraw/zinc/25/08/11/606250811.db2.gz XFLMHKBJVGUFQR-NSHDSACASA-N -1 3 367.438 2.852 20 30 FFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823363393 606252304 /nfs/dbraw/zinc/25/23/04/606252304.db2.gz BFDNHGKWTQHXBP-UHFFFAOYSA-N -1 3 360.402 2.908 20 30 FFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823363393 606252306 /nfs/dbraw/zinc/25/23/06/606252306.db2.gz BFDNHGKWTQHXBP-UHFFFAOYSA-N -1 3 360.402 2.908 20 30 FFEDHM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc(OC)c1OC ZINC000821702904 606302508 /nfs/dbraw/zinc/30/25/08/606302508.db2.gz GGUZCKSRONRJBK-SNAWJCMRSA-N -1 3 372.406 2.850 20 30 FFEDHM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc(OC)c1OC ZINC000821702904 606302510 /nfs/dbraw/zinc/30/25/10/606302510.db2.gz GGUZCKSRONRJBK-SNAWJCMRSA-N -1 3 372.406 2.850 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000821708392 606306005 /nfs/dbraw/zinc/30/60/05/606306005.db2.gz OPFIATJWATZNRD-BJMVGYQFSA-N -1 3 354.391 2.904 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000821708392 606306007 /nfs/dbraw/zinc/30/60/07/606306007.db2.gz OPFIATJWATZNRD-BJMVGYQFSA-N -1 3 354.391 2.904 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530697 606307214 /nfs/dbraw/zinc/30/72/14/606307214.db2.gz PEDLHCZBIXJOCC-HYXAFXHYSA-N -1 3 351.391 2.709 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530697 606307215 /nfs/dbraw/zinc/30/72/15/606307215.db2.gz PEDLHCZBIXJOCC-HYXAFXHYSA-N -1 3 351.391 2.709 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548632 606353121 /nfs/dbraw/zinc/35/31/21/606353121.db2.gz DGSKCZBODJCPLW-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548632 606353123 /nfs/dbraw/zinc/35/31/23/606353123.db2.gz DGSKCZBODJCPLW-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM COc1cccc([C@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1 ZINC000821859791 606360835 /nfs/dbraw/zinc/36/08/35/606360835.db2.gz SMFFCZRTOQUQAJ-VIFPVBQESA-N -1 3 353.411 2.577 20 30 FFEDHM COc1cccc([C@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1 ZINC000821859791 606360837 /nfs/dbraw/zinc/36/08/37/606360837.db2.gz SMFFCZRTOQUQAJ-VIFPVBQESA-N -1 3 353.411 2.577 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000819745452 606629084 /nfs/dbraw/zinc/62/90/84/606629084.db2.gz DLGUZHLAAOGFCS-QZTJIDSGSA-N -1 3 366.469 2.603 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000819745452 606629086 /nfs/dbraw/zinc/62/90/86/606629086.db2.gz DLGUZHLAAOGFCS-QZTJIDSGSA-N -1 3 366.469 2.603 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822811367 606746414 /nfs/dbraw/zinc/74/64/14/606746414.db2.gz XZXMTBMMRWIBEW-YVMONPNESA-N -1 3 364.340 2.560 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822811367 606746415 /nfs/dbraw/zinc/74/64/15/606746415.db2.gz XZXMTBMMRWIBEW-YVMONPNESA-N -1 3 364.340 2.560 20 30 FFEDHM Cc1cc(C)c(C#N)c(SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822193079 606846051 /nfs/dbraw/zinc/84/60/51/606846051.db2.gz KUCNXRITAMPTAN-HNNXBMFYSA-N -1 3 352.423 2.576 20 30 FFEDHM Cc1cc(C)c(C#N)c(SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822193079 606846052 /nfs/dbraw/zinc/84/60/52/606846052.db2.gz KUCNXRITAMPTAN-HNNXBMFYSA-N -1 3 352.423 2.576 20 30 FFEDHM C#CCOc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000819709551 606962107 /nfs/dbraw/zinc/96/21/07/606962107.db2.gz ITGBVVRZXWSLNF-UHFFFAOYSA-N -1 3 367.796 2.809 20 30 FFEDHM C#CCOc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000819709551 606962109 /nfs/dbraw/zinc/96/21/09/606962109.db2.gz ITGBVVRZXWSLNF-UHFFFAOYSA-N -1 3 367.796 2.809 20 30 FFEDHM C=CCC(CC=C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819734133 607004171 /nfs/dbraw/zinc/00/41/71/607004171.db2.gz JAMXXDUNZILNIK-UHFFFAOYSA-N -1 3 366.381 2.728 20 30 FFEDHM C=CCC(CC=C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819734133 607004172 /nfs/dbraw/zinc/00/41/72/607004172.db2.gz JAMXXDUNZILNIK-UHFFFAOYSA-N -1 3 366.381 2.728 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000820577116 607023028 /nfs/dbraw/zinc/02/30/28/607023028.db2.gz KOPYMSUJPAYLDW-YHYXMXQVSA-N -1 3 359.389 2.993 20 30 FFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000820577116 607023030 /nfs/dbraw/zinc/02/30/30/607023030.db2.gz KOPYMSUJPAYLDW-YHYXMXQVSA-N -1 3 359.389 2.993 20 30 FFEDHM c1cc2c(ncnc2N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)s1 ZINC000819718640 607146164 /nfs/dbraw/zinc/14/61/64/607146164.db2.gz LVMACYOCUALACB-UHFFFAOYSA-N -1 3 361.394 2.799 20 30 FFEDHM c1cc2c(ncnc2N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)s1 ZINC000819718640 607146165 /nfs/dbraw/zinc/14/61/65/607146165.db2.gz LVMACYOCUALACB-UHFFFAOYSA-N -1 3 361.394 2.799 20 30 FFEDHM N#Cc1cc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000822818839 607243896 /nfs/dbraw/zinc/24/38/96/607243896.db2.gz HNXCYKXIPLDZRS-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1cc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000822818839 607243897 /nfs/dbraw/zinc/24/38/97/607243897.db2.gz HNXCYKXIPLDZRS-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1ccc(S[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826385980 607844057 /nfs/dbraw/zinc/84/40/57/607844057.db2.gz KFFNTMPWAVMZRM-CQSZACIVSA-N -1 3 370.825 2.710 20 30 FFEDHM N#Cc1ccc(S[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826385980 607844058 /nfs/dbraw/zinc/84/40/58/607844058.db2.gz KFFNTMPWAVMZRM-CQSZACIVSA-N -1 3 370.825 2.710 20 30 FFEDHM C=C(C)[C@H](CC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)OCC ZINC000823874150 607919416 /nfs/dbraw/zinc/91/94/16/607919416.db2.gz UFYGIKRTYWCBDH-HNNXBMFYSA-N -1 3 355.398 2.534 20 30 FFEDHM C=C(C)[C@H](CC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)OCC ZINC000823874150 607919417 /nfs/dbraw/zinc/91/94/17/607919417.db2.gz UFYGIKRTYWCBDH-HNNXBMFYSA-N -1 3 355.398 2.534 20 30 FFEDHM C#CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823837280 607963837 /nfs/dbraw/zinc/96/38/37/607963837.db2.gz AEVIMIPASDONGB-OAHLLOKOSA-N -1 3 353.332 2.639 20 30 FFEDHM C#CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823837280 607963838 /nfs/dbraw/zinc/96/38/38/607963838.db2.gz AEVIMIPASDONGB-OAHLLOKOSA-N -1 3 353.332 2.639 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823850020 607966892 /nfs/dbraw/zinc/96/68/92/607966892.db2.gz HIQVPYLZJBRXCG-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823850020 607966893 /nfs/dbraw/zinc/96/68/93/607966893.db2.gz HIQVPYLZJBRXCG-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM CCOc1ccccc1C=NOCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825654066 607971862 /nfs/dbraw/zinc/97/18/62/607971862.db2.gz NMIUXDQQKIGNCJ-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM CCOc1ccccc1C=NOCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825654066 607971863 /nfs/dbraw/zinc/97/18/63/607971863.db2.gz NMIUXDQQKIGNCJ-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1Cl ZINC000826177451 608004799 /nfs/dbraw/zinc/00/47/99/608004799.db2.gz JBLVZMVWRAGWDI-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1Cl ZINC000826177451 608004800 /nfs/dbraw/zinc/00/48/00/608004800.db2.gz JBLVZMVWRAGWDI-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000826190826 608004876 /nfs/dbraw/zinc/00/48/76/608004876.db2.gz OHUPJCXVOIXMIB-LBPRGKRZSA-N -1 3 362.393 2.564 20 30 FFEDHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000826190826 608004877 /nfs/dbraw/zinc/00/48/77/608004877.db2.gz OHUPJCXVOIXMIB-LBPRGKRZSA-N -1 3 362.393 2.564 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000823909761 608032769 /nfs/dbraw/zinc/03/27/69/608032769.db2.gz PXDNYUYXTKPORB-CYBMUJFWSA-N -1 3 351.414 2.654 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000823909761 608032770 /nfs/dbraw/zinc/03/27/70/608032770.db2.gz PXDNYUYXTKPORB-CYBMUJFWSA-N -1 3 351.414 2.654 20 30 FFEDHM Cn1cnc2cc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)ccc21 ZINC000826365201 608048228 /nfs/dbraw/zinc/04/82/28/608048228.db2.gz FNHCCCGITOYOTO-ZSOIEALJSA-N -1 3 356.389 2.966 20 30 FFEDHM Cn1cnc2cc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)ccc21 ZINC000826365201 608048229 /nfs/dbraw/zinc/04/82/29/608048229.db2.gz FNHCCCGITOYOTO-ZSOIEALJSA-N -1 3 356.389 2.966 20 30 FFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826209739 608091905 /nfs/dbraw/zinc/09/19/05/608091905.db2.gz OJPYCBZEARDOIP-UHFFFAOYSA-N -1 3 373.467 2.647 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1c(F)cccc1F ZINC000824047123 608156843 /nfs/dbraw/zinc/15/68/43/608156843.db2.gz XTBITIZOWVFUIP-VIFPVBQESA-N -1 3 354.320 2.759 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1c(F)cccc1F ZINC000824047123 608156844 /nfs/dbraw/zinc/15/68/44/608156844.db2.gz XTBITIZOWVFUIP-VIFPVBQESA-N -1 3 354.320 2.759 20 30 FFEDHM C[C@@H](C#N)CN(C)c1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000824034114 608367146 /nfs/dbraw/zinc/36/71/46/608367146.db2.gz HDQJBNCRIJTLIF-VIFPVBQESA-N -1 3 359.340 2.612 20 30 FFEDHM C[C@@H](C#N)CN(C)c1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000824034114 608367148 /nfs/dbraw/zinc/36/71/48/608367148.db2.gz HDQJBNCRIJTLIF-VIFPVBQESA-N -1 3 359.340 2.612 20 30 FFEDHM N#Cc1ccc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nn1 ZINC000826386184 608398583 /nfs/dbraw/zinc/39/85/83/608398583.db2.gz SNFTXVDLBBFHDI-UHFFFAOYSA-N -1 3 370.376 2.851 20 30 FFEDHM N#Cc1ccc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nn1 ZINC000826386184 608398584 /nfs/dbraw/zinc/39/85/84/608398584.db2.gz SNFTXVDLBBFHDI-UHFFFAOYSA-N -1 3 370.376 2.851 20 30 FFEDHM C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824633332 608480743 /nfs/dbraw/zinc/48/07/43/608480743.db2.gz LBBDFONZJGPWRS-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824633332 608480744 /nfs/dbraw/zinc/48/07/44/608480744.db2.gz LBBDFONZJGPWRS-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C#CC[C@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000823839009 608516746 /nfs/dbraw/zinc/51/67/46/608516746.db2.gz YHBDXSKJGPKECV-KRWDZBQOSA-N -1 3 371.404 2.771 20 30 FFEDHM C#CC[C@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000823839009 608516748 /nfs/dbraw/zinc/51/67/48/608516748.db2.gz YHBDXSKJGPKECV-KRWDZBQOSA-N -1 3 371.404 2.771 20 30 FFEDHM C=CCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000823932182 608539607 /nfs/dbraw/zinc/53/96/07/608539607.db2.gz RMKYOMUPEAUKFD-UHFFFAOYSA-N -1 3 355.789 2.926 20 30 FFEDHM C=CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000823932182 608539608 /nfs/dbraw/zinc/53/96/08/608539608.db2.gz RMKYOMUPEAUKFD-UHFFFAOYSA-N -1 3 355.789 2.926 20 30 FFEDHM N#CCN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000826382057 608630728 /nfs/dbraw/zinc/63/07/28/608630728.db2.gz MPTAIGJYFJDFDG-UHFFFAOYSA-N -1 3 360.421 2.934 20 30 FFEDHM N#CCN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000826382057 608630729 /nfs/dbraw/zinc/63/07/29/608630729.db2.gz MPTAIGJYFJDFDG-UHFFFAOYSA-N -1 3 360.421 2.934 20 30 FFEDHM Cc1sc(NC(=O)Cc2ccccc2CC#N)c(-c2nnn[n-]2)c1C ZINC000826349849 609145395 /nfs/dbraw/zinc/14/53/95/609145395.db2.gz WWYIDWUSUGIBKH-UHFFFAOYSA-N -1 3 352.423 2.792 20 30 FFEDHM Cc1sc(NC(=O)Cc2ccccc2CC#N)c(-c2nn[n-]n2)c1C ZINC000826349849 609145396 /nfs/dbraw/zinc/14/53/96/609145396.db2.gz WWYIDWUSUGIBKH-UHFFFAOYSA-N -1 3 352.423 2.792 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)C#N ZINC000824255239 609411477 /nfs/dbraw/zinc/41/14/77/609411477.db2.gz DOQVGXBXNDKRHD-UHFFFAOYSA-N -1 3 355.446 2.584 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)C#N ZINC000824255239 609411478 /nfs/dbraw/zinc/41/14/78/609411478.db2.gz DOQVGXBXNDKRHD-UHFFFAOYSA-N -1 3 355.446 2.584 20 30 FFEDHM CCc1ccc2c(c1)C(=NNc1ccc(-c3nnn[n-]3)c(Cl)c1)C(=O)N2 ZINC000825716805 609473120 /nfs/dbraw/zinc/47/31/20/609473120.db2.gz BJGXQLSSLZTEAF-UHFFFAOYSA-N -1 3 367.800 2.851 20 30 FFEDHM CCc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)c(Cl)c1)C(=O)N2 ZINC000825716805 609473123 /nfs/dbraw/zinc/47/31/23/609473123.db2.gz BJGXQLSSLZTEAF-UHFFFAOYSA-N -1 3 367.800 2.851 20 30 FFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1F ZINC000826162173 609485843 /nfs/dbraw/zinc/48/58/43/609485843.db2.gz QNQHKLZVECBJES-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)cc1F ZINC000826162173 609485846 /nfs/dbraw/zinc/48/58/46/609485846.db2.gz QNQHKLZVECBJES-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC000823909833 609539994 /nfs/dbraw/zinc/53/99/94/609539994.db2.gz RKTDXTJMLZDGRY-SJORKVTESA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCO[C@@H](CC)C1 ZINC000823909833 609539995 /nfs/dbraw/zinc/53/99/95/609539995.db2.gz RKTDXTJMLZDGRY-SJORKVTESA-N -1 3 355.442 2.587 20 30 FFEDHM C[C@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000824777490 609600518 /nfs/dbraw/zinc/60/05/18/609600518.db2.gz JGIMPYVUSNVFRV-QGZVFWFLSA-N -1 3 355.352 2.823 20 30 FFEDHM C[C@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000824777490 609600519 /nfs/dbraw/zinc/60/05/19/609600519.db2.gz JGIMPYVUSNVFRV-QGZVFWFLSA-N -1 3 355.352 2.823 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@](C)(C#N)C1 ZINC000826267903 609601370 /nfs/dbraw/zinc/60/13/70/609601370.db2.gz BJEKDAKIAJXRDO-GOSISDBHSA-N -1 3 351.389 2.993 20 30 FFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@](C)(C#N)C1 ZINC000826267903 609601372 /nfs/dbraw/zinc/60/13/72/609601372.db2.gz BJEKDAKIAJXRDO-GOSISDBHSA-N -1 3 351.389 2.993 20 30 FFEDHM N#Cc1cc(Cl)ccc1COC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826383805 609617497 /nfs/dbraw/zinc/61/74/97/609617497.db2.gz RAISURTWAQGZSM-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM N#Cc1cc(Cl)ccc1COC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826383805 609617498 /nfs/dbraw/zinc/61/74/98/609617498.db2.gz RAISURTWAQGZSM-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CCC)C2)ccc1F ZINC000155349059 728826178 /nfs/dbraw/zinc/82/61/78/728826178.db2.gz NGEGPZJROFASSH-AWEZNQCLSA-N -1 3 368.474 2.942 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)ccc1F ZINC000174332585 729069195 /nfs/dbraw/zinc/06/91/95/729069195.db2.gz IDZQDVLNNLLINP-CZUORRHYSA-N -1 3 366.458 2.695 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CCC3)CCCC1 ZINC000330126700 729800005 /nfs/dbraw/zinc/80/00/05/729800005.db2.gz CFJFDYDZWVMNPD-UHFFFAOYSA-N -1 3 362.455 2.758 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([O-])cc(Br)c1 ZINC000862179948 730674280 /nfs/dbraw/zinc/67/42/80/730674280.db2.gz YHGAXTZFJMNTTL-UHFFFAOYSA-N -1 3 368.227 2.572 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000862541966 730708054 /nfs/dbraw/zinc/70/80/54/730708054.db2.gz AYWGTPJRJQGZSW-CYBMUJFWSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000770274261 737611118 /nfs/dbraw/zinc/61/11/18/737611118.db2.gz GQFZTBXCMOJYTN-UHFFFAOYSA-N -1 3 363.233 2.992 20 30 FFEDHM N#Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC000866763948 731096789 /nfs/dbraw/zinc/09/67/89/731096789.db2.gz JXUYMBYVUVEEIY-HNNXBMFYSA-N -1 3 359.813 2.905 20 30 FFEDHM C[C@H](CC#N)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315724 731618968 /nfs/dbraw/zinc/61/89/68/731618968.db2.gz IGHZQMHSBDRRRX-VXGBXAGGSA-N -1 3 353.344 2.735 20 30 FFEDHM CC(C)O[C@]1(CS(=O)(=O)[N-]c2ccc(C3CC3)c(C#N)c2)CCOC1 ZINC000882791291 733295366 /nfs/dbraw/zinc/29/53/66/733295366.db2.gz YLMPIEZRSOZZLG-GOSISDBHSA-N -1 3 364.467 2.761 20 30 FFEDHM CC(C)(C#N)CCCOC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000783340904 738800974 /nfs/dbraw/zinc/80/09/74/738800974.db2.gz IBKQZMPLPSCEAN-UHFFFAOYSA-N -1 3 364.876 2.553 20 30 FFEDHM C[C@]1(c2ccc(CN=Cc3cc(Cl)ccc3[O-])cc2)NC(=O)NC1=O ZINC000726119306 734408211 /nfs/dbraw/zinc/40/82/11/734408211.db2.gz XHIUIEOPHZZOCT-QOYJSAPCSA-N -1 3 357.797 2.719 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000928143786 738832577 /nfs/dbraw/zinc/83/25/77/738832577.db2.gz ZUYSQLHTLLFQKH-ZDUSSCGKSA-N -1 3 373.400 2.715 20 30 FFEDHM COc1cc(C)c(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1OC ZINC000731314037 734674493 /nfs/dbraw/zinc/67/44/93/734674493.db2.gz WYMBOJHBRRXFBA-UHFFFAOYSA-N -1 3 362.451 2.856 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCOc2c(F)ccc(F)c21 ZINC000783849041 738841528 /nfs/dbraw/zinc/84/15/28/738841528.db2.gz LGSVVSCOTPJTPP-UHFFFAOYSA-N -1 3 366.389 2.614 20 30 FFEDHM CSc1nc(C2CC2)cc(C(=O)OCc2cc(=O)c([O-])co2)c1C#N ZINC000735967350 734970428 /nfs/dbraw/zinc/97/04/28/734970428.db2.gz ASWRDWOSMPKTNX-UHFFFAOYSA-N -1 3 358.375 2.568 20 30 FFEDHM C=CCNc1ncc(C(=O)OCc2noc(-c3ccccc3[O-])n2)s1 ZINC000784261313 738873327 /nfs/dbraw/zinc/87/33/27/738873327.db2.gz XALCDKMXZGFKHN-UHFFFAOYSA-N -1 3 358.379 2.854 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCC(C)(C)C)ccc1F ZINC000739779722 735059423 /nfs/dbraw/zinc/05/94/23/735059423.db2.gz ABPMIGMOYHYUHN-UHFFFAOYSA-N -1 3 356.463 2.846 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](CC)C2)ccc1F ZINC000740797079 735088013 /nfs/dbraw/zinc/08/80/13/735088013.db2.gz GDYNNWRMMYNCKM-HIFRSBDPSA-N -1 3 368.474 2.989 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](CC)C2)ccc1F ZINC000740797080 735088091 /nfs/dbraw/zinc/08/80/91/735088091.db2.gz GDYNNWRMMYNCKM-UKRRQHHQSA-N -1 3 368.474 2.989 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000751595891 735897430 /nfs/dbraw/zinc/89/74/30/735897430.db2.gz GSIYHRDJWUOYHQ-SECBINFHSA-N -1 3 365.224 2.567 20 30 FFEDHM CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(Br)cc1[O-] ZINC000753940671 736108724 /nfs/dbraw/zinc/10/87/24/736108724.db2.gz UXXLYMNUYLRXDR-STQMWFEESA-N -1 3 351.248 2.739 20 30 FFEDHM Cn1nnc2c1C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000904179934 736230670 /nfs/dbraw/zinc/23/06/70/736230670.db2.gz DISPXSRXCCRZBH-SNVBAGLBSA-N -1 3 355.225 2.645 20 30 FFEDHM Cc1cc(C)cc(OCC2N=NC(=S)N2N=Cc2ccc([O-])cn2)c1 ZINC000755618207 736265854 /nfs/dbraw/zinc/26/58/54/736265854.db2.gz XRSVGDGRFRWYOT-UHFFFAOYSA-N -1 3 355.423 2.745 20 30 FFEDHM CCOc1cc(/C=C2\C(=O)c3ncnn3[C@@H]2C)cc(Br)c1[O-] ZINC000905080290 736293121 /nfs/dbraw/zinc/29/31/21/736293121.db2.gz JVOSHKDDWRNILQ-YXSUAUNDSA-N -1 3 364.199 2.986 20 30 FFEDHM C=C(C)[C@H](C)OC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000755991580 736296781 /nfs/dbraw/zinc/29/67/81/736296781.db2.gz IECUIAMNEXCQLQ-ZFWWWQNUSA-N -1 3 364.467 2.648 20 30 FFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCSC[C@H]2C#N)s1 ZINC000907221285 736598440 /nfs/dbraw/zinc/59/84/40/736598440.db2.gz WGODGSOFOSHEGH-SECBINFHSA-N -1 3 354.457 2.571 20 30 FFEDHM CCOC(=O)[C@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@H](C)C1 ZINC000761267256 736715984 /nfs/dbraw/zinc/71/59/84/736715984.db2.gz QDIFUIXQXOXFRI-ZBFHGGJFSA-N -1 3 366.483 2.504 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847693 736842994 /nfs/dbraw/zinc/84/29/94/736842994.db2.gz RZWUONUJFGHNAP-HZPDHXFCSA-N -1 3 365.861 2.546 20 30 FFEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(C)C ZINC000763554512 736947716 /nfs/dbraw/zinc/94/77/16/736947716.db2.gz PVINEHNASLGCGB-ZFWWWQNUSA-N -1 3 366.483 2.728 20 30 FFEDHM COc1cc(CN=Nc2c(F)c(F)nc(F)c2F)c([N+](=O)[O-])cc1[O-] ZINC000767169162 737298188 /nfs/dbraw/zinc/29/81/88/737298188.db2.gz VWSLBMMHDVBGHX-UHFFFAOYSA-N -1 3 360.223 2.706 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)C(C)C)ccc1F ZINC000915155595 737610901 /nfs/dbraw/zinc/61/09/01/737610901.db2.gz XYRCYOUFQKRARM-UHFFFAOYSA-N -1 3 356.463 2.797 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2ccccc2C(F)(F)F)c1[O-] ZINC000920990731 737938317 /nfs/dbraw/zinc/93/83/17/737938317.db2.gz AUFJWCRGMNLNQD-FAXWQTKOSA-N -1 3 354.328 2.759 20 30 FFEDHM N#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000785529527 738974534 /nfs/dbraw/zinc/97/45/34/738974534.db2.gz LIBUTJOXVICQNE-UHFFFAOYSA-N -1 3 368.773 2.960 20 30 FFEDHM Cc1cc(=O)[n-]c(NNC=C2CC(F)(F)CN2C(=O)OC(C)(C)C)n1 ZINC000792870884 739714355 /nfs/dbraw/zinc/71/43/55/739714355.db2.gz UHEWMMDABQGGAU-JTQLQIEISA-N -1 3 357.361 2.533 20 30 FFEDHM Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000794043247 739844333 /nfs/dbraw/zinc/84/43/33/739844333.db2.gz SLOXVGOOBPYFLO-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM Cn1cc(-c2ccc(C=N[N-]S(=O)(=O)Cc3ccccc3)s2)cn1 ZINC000800811283 740550526 /nfs/dbraw/zinc/55/05/26/740550526.db2.gz ODUKQJZPEDIYPT-UHFFFAOYSA-N -1 3 360.464 2.602 20 30 FFEDHM Brc1csc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819689329 742423305 /nfs/dbraw/zinc/42/33/05/742423305.db2.gz ZOIPPBGUNPXKME-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM Brc1csc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819689329 742423309 /nfs/dbraw/zinc/42/33/09/742423309.db2.gz ZOIPPBGUNPXKME-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819745894 742427757 /nfs/dbraw/zinc/42/77/57/742427757.db2.gz TYKHSRWRICWGRS-UHFFFAOYSA-N -1 3 354.801 2.744 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819745894 742427759 /nfs/dbraw/zinc/42/77/59/742427759.db2.gz TYKHSRWRICWGRS-UHFFFAOYSA-N -1 3 354.801 2.744 20 30 FFEDHM CCc1cnc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)s1 ZINC000825733299 743320804 /nfs/dbraw/zinc/32/08/04/743320804.db2.gz BAJNZNZGFIUZNV-SREVYHEPSA-N -1 3 354.439 2.838 20 30 FFEDHM CCc1cnc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000825733299 743320813 /nfs/dbraw/zinc/32/08/13/743320813.db2.gz BAJNZNZGFIUZNV-SREVYHEPSA-N -1 3 354.439 2.838 20 30 FFEDHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1snc(C)c1C#N ZINC001048526432 743405026 /nfs/dbraw/zinc/40/50/26/743405026.db2.gz JCWKLTNQDQOINE-LSDHHAIUSA-N -1 3 356.451 2.816 20 30 FFEDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1(Cl)Cl ZINC000832364357 745684137 /nfs/dbraw/zinc/68/41/37/745684137.db2.gz GFTRQFHSQKGXMM-GFCCVEGCSA-N -1 3 351.230 2.950 20 30 FFEDHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000846537306 748498580 /nfs/dbraw/zinc/49/85/80/748498580.db2.gz JYDLUGBPSZJBGC-HNNXBMFYSA-N -1 3 363.483 2.562 20 30 FFEDHM C#CCCC[C@H](C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000847861929 748799641 /nfs/dbraw/zinc/79/96/41/748799641.db2.gz ATMBLQWVFIQFSI-HNNXBMFYSA-N -1 3 367.467 2.951 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C1CCOCC1 ZINC000851828955 749692644 /nfs/dbraw/zinc/69/26/44/749692644.db2.gz GGCQDNSJOKZRGY-HNNXBMFYSA-N -1 3 351.399 2.587 20 30 FFEDHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737487872 945082731 /nfs/dbraw/zinc/08/27/31/945082731.db2.gz KVYBTQGPMNPUJR-UHFFFAOYSA-N -1 3 373.351 2.986 20 30 FFEDHM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737487872 945082741 /nfs/dbraw/zinc/08/27/41/945082741.db2.gz KVYBTQGPMNPUJR-UHFFFAOYSA-N -1 3 373.351 2.986 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737710010 945114399 /nfs/dbraw/zinc/11/43/99/945114399.db2.gz TYLANILBZFQNNU-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737710010 945114407 /nfs/dbraw/zinc/11/44/07/945114407.db2.gz TYLANILBZFQNNU-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCCC[C@H]1CC(=O)[O-] ZINC001601058501 970924111 /nfs/dbraw/zinc/92/41/11/970924111.db2.gz MTYBVZGBKMYXHE-GJZGRUSLSA-N -1 3 364.405 2.553 20 30 FFEDHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736055976 944736225 /nfs/dbraw/zinc/73/62/25/944736225.db2.gz KJCCLLAZSYCQJC-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736055976 944736231 /nfs/dbraw/zinc/73/62/31/944736231.db2.gz KJCCLLAZSYCQJC-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737302707 945034574 /nfs/dbraw/zinc/03/45/74/945034574.db2.gz CDNZIIRJLZSKLP-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737302707 945034582 /nfs/dbraw/zinc/03/45/82/945034582.db2.gz CDNZIIRJLZSKLP-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM C#CCCOc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001573281798 946679745 /nfs/dbraw/zinc/67/97/45/946679745.db2.gz BWBCKHBFVWTHAS-UHFFFAOYSA-N -1 3 366.352 2.765 20 30 FFEDHM C#CCCOc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001573281798 946679751 /nfs/dbraw/zinc/67/97/51/946679751.db2.gz BWBCKHBFVWTHAS-UHFFFAOYSA-N -1 3 366.352 2.765 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001573553463 946887415 /nfs/dbraw/zinc/88/74/15/946887415.db2.gz FZQUQEISCZFEPG-CLFYSBASSA-N -1 3 358.361 2.593 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001573553463 946887428 /nfs/dbraw/zinc/88/74/28/946887428.db2.gz FZQUQEISCZFEPG-CLFYSBASSA-N -1 3 358.361 2.593 20 30 FFEDHM C=C(CC)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001573294645 946994693 /nfs/dbraw/zinc/99/46/93/946994693.db2.gz IFNLLJIRCWSLNX-UHFFFAOYSA-N -1 3 351.208 2.717 20 30 FFEDHM C=C(CC)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001573294645 946994703 /nfs/dbraw/zinc/99/47/03/946994703.db2.gz IFNLLJIRCWSLNX-UHFFFAOYSA-N -1 3 351.208 2.717 20 30 FFEDHM C=C(C)CCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573298839 947083001 /nfs/dbraw/zinc/08/30/01/947083001.db2.gz HDQMXEWGTWGKQC-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C=C(C)CCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573298839 947083018 /nfs/dbraw/zinc/08/30/18/947083018.db2.gz HDQMXEWGTWGKQC-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)[C@@H]1C ZINC001573305023 947147155 /nfs/dbraw/zinc/14/71/55/947147155.db2.gz KXOUNTAEUARJBH-ZFWWWQNUSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)[C@@H]1C ZINC001573305023 947147159 /nfs/dbraw/zinc/14/71/59/947147159.db2.gz KXOUNTAEUARJBH-ZFWWWQNUSA-N -1 3 369.473 2.574 20 30 FFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C#N)C1CCCCC1 ZINC000826162164 947508447 /nfs/dbraw/zinc/50/84/47/947508447.db2.gz PWTRREJNXGBMBS-INIZCTEOSA-N -1 3 356.430 2.776 20 30 FFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C#N)C1CCCCC1 ZINC000826162164 947508454 /nfs/dbraw/zinc/50/84/54/947508454.db2.gz PWTRREJNXGBMBS-INIZCTEOSA-N -1 3 356.430 2.776 20 30 FFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1OC ZINC000826215688 947631209 /nfs/dbraw/zinc/63/12/09/947631209.db2.gz WIMURMVJZROROH-CLFYSBASSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1OC ZINC000826215688 947631211 /nfs/dbraw/zinc/63/12/11/947631211.db2.gz WIMURMVJZROROH-CLFYSBASSA-N -1 3 354.341 2.919 20 30 FFEDHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001593757253 954468210 /nfs/dbraw/zinc/46/82/10/954468210.db2.gz XDPDFPZVGOTOSV-YLJYHZDGSA-N -1 3 357.454 2.504 20 30 FFEDHM Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C ZINC001594404989 958895144 /nfs/dbraw/zinc/89/51/44/958895144.db2.gz OTOWCDQCYKCICP-ZWKOTPCHSA-N -1 3 369.465 2.593 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)c1ccccc1 ZINC000010682491 1013329378 /nfs/dbraw/zinc/32/93/78/1013329378.db2.gz GDMILOJHJJCZSY-CQSZACIVSA-N -1 3 352.390 2.611 20 30 FFEDHM CC(=O)N(c1nc(CN[C@@H]2CCCN([O-])C2=O)cs1)c1ccc(C)cc1 ZINC000895164145 968030328 /nfs/dbraw/zinc/03/03/28/968030328.db2.gz CWTFSEFSUUEVAC-MRXNPFEDSA-N -1 3 374.466 2.606 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c1[O-] ZINC000899230219 977028186 /nfs/dbraw/zinc/02/81/86/977028186.db2.gz FPHFMHWIZRCLGL-YBAOBPEKSA-N -1 3 363.458 2.652 20 30 FFEDHM C=CCC[C@@H](NC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC000908899873 981569365 /nfs/dbraw/zinc/56/93/65/981569365.db2.gz DKUPWIUSNQYJSA-QZTJIDSGSA-N -1 3 359.470 2.851 20 30 FFEDHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC001594524941 986030483 /nfs/dbraw/zinc/03/04/83/986030483.db2.gz GAWRIOHBNOBBMI-GFCCVEGCSA-N -1 3 355.360 2.558 20 30 FFEDHM N#Cc1ccc([O-])c(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000176409690 986946455 /nfs/dbraw/zinc/94/64/55/986946455.db2.gz MFQMGMJPVGKMQJ-UHFFFAOYSA-N -1 3 364.449 2.805 20 30 FFEDHM N#C[C@]1(c2ccccn2)CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878889016 1015270863 /nfs/dbraw/zinc/27/08/63/1015270863.db2.gz RMDQSGJTBKNEJB-HXUWFJFHSA-N -1 3 361.405 2.895 20 30 FFEDHM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000916930647 990034326 /nfs/dbraw/zinc/03/43/26/990034326.db2.gz GBRDQSNAXJLPDU-HNNXBMFYSA-N -1 3 354.362 2.674 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920109446 990794764 /nfs/dbraw/zinc/79/47/64/990794764.db2.gz GBWGSRUKPHCKCZ-LLVKDONJSA-N -1 3 351.318 2.503 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC001599590237 993670689 /nfs/dbraw/zinc/67/06/89/993670689.db2.gz KKYDVMNASJEEJJ-VIFPVBQESA-N -1 3 362.725 2.601 20 30 FFEDHM C#CCCc1noc([C@@H](CCCC)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000809397462 994511212 /nfs/dbraw/zinc/51/12/12/994511212.db2.gz UNTCWYSIAMXATE-CQSZACIVSA-N -1 3 372.450 2.605 20 30 FFEDHM COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c(OC)c1 ZINC000811183966 995050267 /nfs/dbraw/zinc/05/02/67/995050267.db2.gz CRUAXZVASXRZSX-NSHDSACASA-N -1 3 355.346 2.709 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000811184062 995050624 /nfs/dbraw/zinc/05/06/24/995050624.db2.gz GPMOLMVPNQAKBH-GOSISDBHSA-N -1 3 350.374 2.612 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1OC ZINC000825027505 997183928 /nfs/dbraw/zinc/18/39/28/997183928.db2.gz ABDZUTZWCNTPOZ-VURMDHGXSA-N -1 3 367.405 2.620 20 30 FFEDHM CCNc1nc(=NN=C2C[C@@H](C)c3c2c([O-])ccc3F)nc(NCC)[nH]1 ZINC000730546786 997278907 /nfs/dbraw/zinc/27/89/07/997278907.db2.gz UNVQEUNEEDQIJQ-SECBINFHSA-N -1 3 359.409 2.903 20 30 FFEDHM N#Cc1cccc(Cl)c1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001143732491 997588464 /nfs/dbraw/zinc/58/84/64/997588464.db2.gz QDJUSTTWGXDJSY-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCNC(=O)c1ccsc1 ZINC000845836448 998670366 /nfs/dbraw/zinc/67/03/66/998670366.db2.gz JZZKXXKDIFZHBJ-MRXNPFEDSA-N -1 3 366.442 2.878 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C(C)C)n2)cc1 ZINC000733679088 999044607 /nfs/dbraw/zinc/04/46/07/999044607.db2.gz BUKNFRPSUJMPQX-OAHLLOKOSA-N -1 3 368.393 2.602 20 30 FFEDHM N#Cc1ccccc1OCc1ccc(C(=O)OCc2cc(=O)c([O-])co2)o1 ZINC000736795508 999568993 /nfs/dbraw/zinc/56/89/93/999568993.db2.gz XJSUNQVLYFWBDE-UHFFFAOYSA-N -1 3 367.313 2.746 20 30 FFEDHM COC(=O)[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000742733927 999785410 /nfs/dbraw/zinc/78/54/10/999785410.db2.gz GNSNMWTWIRUQOB-GOSISDBHSA-N -1 3 368.389 2.666 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C)c2)ccc1C#N ZINC000766571945 1000016556 /nfs/dbraw/zinc/01/65/56/1000016556.db2.gz XGCFXTPZIYNVBA-UHFFFAOYSA-N -1 3 371.462 2.813 20 30 FFEDHM N#CC[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001129372485 1000128976 /nfs/dbraw/zinc/12/89/76/1000128976.db2.gz JXNGEEHEOPBUBM-DZGCQCFKSA-N -1 3 367.371 2.601 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000846541710 1000345793 /nfs/dbraw/zinc/34/57/93/1000345793.db2.gz LHRQPDXLUOIPGT-ZDUSSCGKSA-N -1 3 352.390 2.838 20 30 FFEDHM Cc1nccn1CCCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000769102014 1000446817 /nfs/dbraw/zinc/44/68/17/1000446817.db2.gz KZXJJFGTUAYJIN-UHFFFAOYSA-N -1 3 356.426 2.737 20 30 FFEDHM CCOc1ccc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1OCC ZINC000769818250 1000598274 /nfs/dbraw/zinc/59/82/74/1000598274.db2.gz IGFJGWHXMVAOPZ-UHFFFAOYSA-N -1 3 370.413 2.702 20 30 FFEDHM CCc1ccc([O-])c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000769957789 1000635752 /nfs/dbraw/zinc/63/57/52/1000635752.db2.gz MTKPOIDPDRNNLA-CQSZACIVSA-N -1 3 359.426 2.540 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(OC(C)C)c1 ZINC000770102497 1000677288 /nfs/dbraw/zinc/67/72/88/1000677288.db2.gz SRJPIPJAVQKGPT-OAHLLOKOSA-N -1 3 353.378 2.839 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC(C)C)c2)cc1 ZINC000770105903 1000678237 /nfs/dbraw/zinc/67/82/37/1000678237.db2.gz KLCMOARWHIZTMU-KRWDZBQOSA-N -1 3 353.378 2.839 20 30 FFEDHM C[C@H](C#N)c1cccc(C(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c1 ZINC001148615651 1001180851 /nfs/dbraw/zinc/18/08/51/1001180851.db2.gz PVRDVHJWFBDFKB-CJNGLKHVSA-N -1 3 371.437 2.970 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c2)cs1 ZINC001171365136 1001743030 /nfs/dbraw/zinc/74/30/30/1001743030.db2.gz MLYVBBUYYUDRMK-HZMBPMFUSA-N -1 3 361.423 2.635 20 30 FFEDHM Cc1onc(OC(F)F)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000788110081 1001763119 /nfs/dbraw/zinc/76/31/19/1001763119.db2.gz GQJRVNDTHJOBRP-UHFFFAOYSA-N -1 3 366.324 2.745 20 30 FFEDHM C[Si](C)(C)C#Cc1cccc(NC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC001182972800 1002123350 /nfs/dbraw/zinc/12/33/50/1002123350.db2.gz GBCGOTHEZLFEHJ-UHFFFAOYSA-N -1 3 366.493 2.990 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1C#N ZINC001183508331 1002297864 /nfs/dbraw/zinc/29/78/64/1002297864.db2.gz KGHPGFYRZNFMGG-UHFFFAOYSA-N -1 3 363.373 2.871 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2C[C@@]23CCCOC3)c(C)c1[O-] ZINC001183720861 1002363575 /nfs/dbraw/zinc/36/35/75/1002363575.db2.gz ATOMMYNPWXVOQJ-IFXJQAMLSA-N -1 3 358.394 2.504 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(F)c1Cl ZINC001186937863 1003480139 /nfs/dbraw/zinc/48/01/39/1003480139.db2.gz CHIXKYDGPVKXKF-UHFFFAOYSA-N -1 3 365.773 2.646 20 30 FFEDHM COc1ccc([C@@H]2C[C@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000794148088 1003581086 /nfs/dbraw/zinc/58/10/86/1003581086.db2.gz BCJCAFDFYQEVMH-PKOBYXMFSA-N -1 3 365.433 2.889 20 30 FFEDHM CSc1nc(Cl)c(C(=O)[N-]/C=C/C(=O)C(F)(F)F)c(Cl)n1 ZINC001192629283 1004227065 /nfs/dbraw/zinc/22/70/65/1004227065.db2.gz OABVYQJZGORNGM-NSCUHMNNSA-N -1 3 360.144 2.880 20 30 FFEDHM N#CCOc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC000806772773 1004408848 /nfs/dbraw/zinc/40/88/48/1004408848.db2.gz UUPKVFMNDHNPBD-UHFFFAOYSA-N -1 3 369.327 2.639 20 30 FFEDHM C[C@H]1CCc2c(C(=O)NC(=N[O-])c3ccc(OC(F)(F)F)cc3)n[nH]c21 ZINC001198450786 1004620861 /nfs/dbraw/zinc/62/08/61/1004620861.db2.gz PEZRMZULZGBZBR-QMMMGPOBSA-N -1 3 368.315 2.924 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)C(F)F)cn1 ZINC001194052388 1004640963 /nfs/dbraw/zinc/64/09/63/1004640963.db2.gz ARQYVXDWAAXWLW-ZDUSSCGKSA-N -1 3 357.769 2.891 20 30 FFEDHM N#Cc1c(F)ccc([N-]C(=O)c2nccc(OCC3CCOCC3)n2)c1F ZINC001199173608 1004856645 /nfs/dbraw/zinc/85/66/45/1004856645.db2.gz LQMJCPJVAKTHAO-UHFFFAOYSA-N -1 3 374.347 2.684 20 30 FFEDHM CC(C)n1ccnc1C(=O)NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001199415097 1004936446 /nfs/dbraw/zinc/93/64/46/1004936446.db2.gz HDFVELWIMBHHBL-UHFFFAOYSA-N -1 3 356.304 2.928 20 30 FFEDHM CC(C)(C)OC(=O)Nc1cnc(C(=O)Nc2ccc([O-])c(C#N)c2)cn1 ZINC001195633565 1005003508 /nfs/dbraw/zinc/00/35/08/1005003508.db2.gz LTCHYMRDRXJWNJ-UHFFFAOYSA-N -1 3 355.354 2.653 20 30 FFEDHM C[Si](C)(C)c1ccnc(C(=O)[N-]c2nc3ncccc3cc2C#N)c1F ZINC001199728236 1005014683 /nfs/dbraw/zinc/01/46/83/1005014683.db2.gz HNXSIKNWTPOVQK-UHFFFAOYSA-N -1 3 365.444 2.833 20 30 FFEDHM N#Cc1ccc(NC(=S)NCc2ncccc2[O-])c(Br)c1 ZINC001201132583 1005172192 /nfs/dbraw/zinc/17/21/92/1005172192.db2.gz FLUWJTSQNZFFKD-UHFFFAOYSA-N -1 3 363.240 2.908 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001134940606 1006559247 /nfs/dbraw/zinc/55/92/47/1006559247.db2.gz IQGGZOMXVAQJSC-UHFFFAOYSA-N -1 3 366.377 2.952 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc2c(F)ccc(F)c2c1 ZINC000815915631 1006841088 /nfs/dbraw/zinc/84/10/88/1006841088.db2.gz URZRRYSATZTODL-GFCCVEGCSA-N -1 3 352.300 2.869 20 30 FFEDHM C#C[C@H](CC)Oc1ccc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000816049034 1006882628 /nfs/dbraw/zinc/88/26/28/1006882628.db2.gz VPLBKWBXZJHKAO-MRXNPFEDSA-N -1 3 354.406 2.876 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)c1 ZINC001190661079 1007722106 /nfs/dbraw/zinc/72/21/06/1007722106.db2.gz LEEJRTWODKIGER-UHFFFAOYSA-N -1 3 360.410 2.682 20 30 FFEDHM COc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)CC2 ZINC001190669304 1007725398 /nfs/dbraw/zinc/72/53/98/1007725398.db2.gz MPMHLPFRFFWLMK-HNNXBMFYSA-N -1 3 360.410 2.542 20 30 FFEDHM CCCCCCCCOC(=O)C[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190669978 1007725990 /nfs/dbraw/zinc/72/59/90/1007725990.db2.gz COGIGHBVGUPXKR-UHFFFAOYSA-N -1 3 370.446 2.879 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000886655148 1008798244 /nfs/dbraw/zinc/79/82/44/1008798244.db2.gz DRINWWBELFUHTD-UHFFFAOYSA-N -1 3 351.454 2.614 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC000862789611 1009974044 /nfs/dbraw/zinc/97/40/44/1009974044.db2.gz OTCUMCDCGNEVHQ-UHFFFAOYSA-N -1 3 366.377 2.909 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773979723 1010399121 /nfs/dbraw/zinc/39/91/21/1010399121.db2.gz JTIPTOZKRXZNAW-MRXNPFEDSA-N -1 3 374.400 2.901 20 30 FFEDHM Cc1cnn(C)c1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000794902865 1010953395 /nfs/dbraw/zinc/95/33/95/1010953395.db2.gz WVVZAPWWBFZRFO-UHFFFAOYSA-N -1 3 369.450 2.975 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccnc(C#N)c1 ZINC000796634867 1019457423 /nfs/dbraw/zinc/45/74/23/1019457423.db2.gz VMCSFWVDJYDHPK-ZDUSSCGKSA-N -1 3 368.780 2.885 20 30 FFEDHM C#CCOc1ccc(CN2CCC(n3ncc(C(=O)[O-])c3C)CC2)cc1 ZINC000901871911 1019534420 /nfs/dbraw/zinc/53/44/20/1019534420.db2.gz UXOHQZRRVNUVFZ-UHFFFAOYSA-N -1 3 353.422 2.739 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC000930152365 1019897569 /nfs/dbraw/zinc/89/75/69/1019897569.db2.gz IIXJOTDVIHHVKP-HNNXBMFYSA-N -1 3 369.425 2.538 20 30 FFEDHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCCC[C@H]1Nc1cccc(F)c1C#N ZINC001045715374 1020101652 /nfs/dbraw/zinc/10/16/52/1020101652.db2.gz TXUCDXFDMRQEDK-HZPDHXFCSA-N -1 3 369.400 2.655 20 30 FFEDHM COc1cnc([C@@H]2CCCN2CCCOc2cccc(C#N)c2)[n-]c1=O ZINC000934275156 1021182815 /nfs/dbraw/zinc/18/28/15/1021182815.db2.gz YSZSMHUTIOWFJV-INIZCTEOSA-N -1 3 354.410 2.668 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC2(CCCC2)OC[C@@H]1C ZINC001122586350 1023352604 /nfs/dbraw/zinc/35/26/04/1023352604.db2.gz HXGJKKSBBBZOGZ-ZDUSSCGKSA-N -1 3 359.430 2.753 20 30 FFEDHM C#CCN(c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC)[C@H]1CCc2ccccc21 ZINC001121666271 1023914393 /nfs/dbraw/zinc/91/43/93/1023914393.db2.gz NVELLGPPLGQFBR-SFHVURJKSA-N -1 3 374.448 2.896 20 30 FFEDHM CCOC(=O)c1c(Cl)cc(C)nc1[N-]c1c(C#N)cnn1C(=O)OC ZINC001158967545 1027210194 /nfs/dbraw/zinc/21/01/94/1027210194.db2.gz WOMWAJOHYDFROH-UHFFFAOYSA-N -1 3 363.761 2.646 20 30 FFEDHM COc1cc(OC)c(C[C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c(OC)c1 ZINC000840706795 1027222681 /nfs/dbraw/zinc/22/26/81/1027222681.db2.gz KEQVUKBWBIZVBW-SQWLXVSWSA-N -1 3 374.437 2.664 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cnc(Cl)nc1Oc1cccc(F)c1 ZINC001160179371 1027626204 /nfs/dbraw/zinc/62/62/04/1027626204.db2.gz YUVAZRAEGSTTTP-UFBFGSQYSA-N -1 3 352.753 2.709 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc2c(Br)n[nH]c21 ZINC001154088565 1028139673 /nfs/dbraw/zinc/13/96/73/1028139673.db2.gz IQIKZNRKUQBHAA-UHFFFAOYSA-N -1 3 374.198 2.765 20 30 FFEDHM Cn1cc(CCNC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)c2ccccc21 ZINC001154560280 1028354604 /nfs/dbraw/zinc/35/46/04/1028354604.db2.gz YRRYVSHPBJCOMW-UHFFFAOYSA-N -1 3 370.412 2.864 20 30 FFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC001162679212 1028618686 /nfs/dbraw/zinc/61/86/86/1028618686.db2.gz IKRGZKLPESOGBE-GXSJLCMTSA-N -1 3 360.211 2.713 20 30 FFEDHM C=CC1(CC(=O)NCc2c([O-])cccc2F)CN(C(=O)OC(C)(C)C)C1 ZINC001156177836 1029077651 /nfs/dbraw/zinc/07/76/51/1029077651.db2.gz OVGUOBYBJSSMEW-UHFFFAOYSA-N -1 3 364.417 2.961 20 30 FFEDHM N#Cc1c(Cl)c2cc(F)c(F)cc2nc1NCCCc1c[n-][nH]c1=O ZINC001156285725 1029125666 /nfs/dbraw/zinc/12/56/66/1029125666.db2.gz QXKCHCYBTZVVPC-QMMMGPOBSA-N -1 3 363.755 2.962 20 30 FFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(Cc2cccnc2)nn1 ZINC000783702535 1030240309 /nfs/dbraw/zinc/24/03/09/1030240309.db2.gz ZDKNKVZYXCWKKE-DKTFCQPKSA-N -1 3 350.353 2.950 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2 ZINC000796748178 1030905170 /nfs/dbraw/zinc/90/51/70/1030905170.db2.gz QHJDTHRLNJRRQI-OAHLLOKOSA-N -1 3 366.421 2.752 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2cccc(O)c2)c(C)c1[O-] ZINC001142851584 1030956079 /nfs/dbraw/zinc/95/60/79/1030956079.db2.gz ZCQPGEKUFDAQMI-UHFFFAOYSA-N -1 3 354.362 2.636 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3c(c2)OCO3)c(C)c1[O-] ZINC001149166299 1031448399 /nfs/dbraw/zinc/44/83/99/1031448399.db2.gz LRHOOUCXILILIT-UHFFFAOYSA-N -1 3 368.345 2.730 20 30 FFEDHM O=[N+]([O-])c1c(F)cccc1N1CCC(O/C(=N\[O-])c2ccccn2)CC1 ZINC001223976611 1033664906 /nfs/dbraw/zinc/66/49/06/1033664906.db2.gz VYORDPIGUDISQO-JZJYNLBNSA-N -1 3 360.345 2.950 20 30 FFEDHM C#CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001276967217 1033862863 /nfs/dbraw/zinc/86/28/63/1033862863.db2.gz HFJFUMALJSILNW-CYBMUJFWSA-N -1 3 350.821 2.536 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2F)[n-]1 ZINC001225467527 1034265334 /nfs/dbraw/zinc/26/53/34/1034265334.db2.gz SJSJJOUNZIQIOR-JSGCOSHPSA-N -1 3 351.378 2.694 20 30 FFEDHM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1[n-]c(=O)ncc1OC ZINC001226827921 1034855197 /nfs/dbraw/zinc/85/51/97/1034855197.db2.gz LURKRUVCCGNAAA-LLVKDONJSA-N -1 3 354.284 2.669 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](COc1cc(C#N)ccc1[O-])O2 ZINC001227344823 1035513341 /nfs/dbraw/zinc/51/33/41/1035513341.db2.gz DXUFERYWZLOGOK-CQSZACIVSA-N -1 3 360.410 2.811 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@H]2Oc1cc(C#N)ccc1[O-] ZINC001227344576 1035513719 /nfs/dbraw/zinc/51/37/19/1035513719.db2.gz AIDKLQPPEMSDJP-VQIMIIECSA-N -1 3 360.410 2.811 20 30 FFEDHM N#Cc1ccc(CN2CCN(c3ncccc3C(F)(F)F)CC2)c([O-])c1 ZINC001233383346 1036582177 /nfs/dbraw/zinc/58/21/77/1036582177.db2.gz FCHATEXQJAGXSB-UHFFFAOYSA-N -1 3 362.355 3.000 20 30 FFEDHM CCOC(=O)c1ccc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)cc1 ZINC001233387255 1036587967 /nfs/dbraw/zinc/58/79/67/1036587967.db2.gz BKIJZBORTJPYKZ-UHFFFAOYSA-N -1 3 365.433 2.763 20 30 FFEDHM CO[C@@H](CN1CCN(Cc2ccc(C#N)cc2[O-])CC1)c1ccccc1 ZINC001233387456 1036589668 /nfs/dbraw/zinc/58/96/68/1036589668.db2.gz KIUFSIBHVQHXTK-NRFANRHFSA-N -1 3 351.450 2.769 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234140946 1036937862 /nfs/dbraw/zinc/93/78/62/1036937862.db2.gz MSNWWHUIKMRDOZ-QFBILLFUSA-N -1 3 360.410 2.811 20 30 FFEDHM COC(=O)c1cnc(=O)[n-]c1O[C@@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001229872035 1036949792 /nfs/dbraw/zinc/94/97/92/1036949792.db2.gz FIXMOIMNMMMLCI-HNNXBMFYSA-N -1 3 356.454 2.970 20 30 FFEDHM CCCC#CC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001277875831 1037136019 /nfs/dbraw/zinc/13/60/19/1037136019.db2.gz HYBIDJBELCBOHN-HXPMCKFVSA-N -1 3 369.446 2.735 20 30 FFEDHM C=C1O[C@@H](C)C(=O)C1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749315 1037167267 /nfs/dbraw/zinc/16/72/67/1037167267.db2.gz RELGLYWFMFOOFX-ZETCQYMHSA-N -1 3 370.313 2.661 20 30 FFEDHM N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(O[C@@H]2CN3CCC2CC3)c1C#N ZINC001231227418 1037504470 /nfs/dbraw/zinc/50/44/70/1037504470.db2.gz FMHAXJBNEULRRY-MRXNPFEDSA-N -1 3 364.361 2.670 20 30 FFEDHM C=CCOC[C@@H]1c2nnn(C)c2CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231868054 1037964835 /nfs/dbraw/zinc/96/48/35/1037964835.db2.gz PQZTZNPHCPHZQJ-MRXNPFEDSA-N -1 3 362.861 2.785 20 30 FFEDHM C#CCNC(=O)[C@H]1CC12CCN(Cc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001276632239 1038753813 /nfs/dbraw/zinc/75/38/13/1038753813.db2.gz LPBWRDWDBWJKHR-OAHLLOKOSA-N -1 3 366.383 2.763 20 30 FFEDHM COc1cnc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258039315 1039138299 /nfs/dbraw/zinc/13/82/99/1039138299.db2.gz OEQIINQYQNVUBG-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM C=C[C@H]1C[C@]1([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OCC ZINC001258897425 1039570078 /nfs/dbraw/zinc/57/00/78/1039570078.db2.gz KLGGUZFZPYXRST-LKFCYVNXSA-N -1 3 364.250 2.780 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)c1 ZINC001259124512 1039731595 /nfs/dbraw/zinc/73/15/95/1039731595.db2.gz QLNLODVMVKVSRO-UHFFFAOYSA-N -1 3 352.419 2.831 20 30 FFEDHM CCCC[C@@](CC)([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OCC ZINC001260048035 1040378745 /nfs/dbraw/zinc/37/87/45/1040378745.db2.gz HIMHWSLWEGLBCQ-GOSISDBHSA-N -1 3 366.483 2.880 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)C(=O)OCC ZINC001213383453 1040496083 /nfs/dbraw/zinc/49/60/83/1040496083.db2.gz QKCZXLVAGGDBEM-MYSGNRETSA-N -1 3 361.822 2.790 20 30 FFEDHM Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2cc(Cl)ccc2[O-])cc1C#N ZINC001278569406 1041211325 /nfs/dbraw/zinc/21/13/25/1041211325.db2.gz XHAKSIAIAAAXPN-HDICACEKSA-N -1 3 356.857 2.714 20 30 FFEDHM C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3c(F)ccc([O-])c3F)C2)C1=O ZINC001276734851 1041949153 /nfs/dbraw/zinc/94/91/53/1041949153.db2.gz AZPUKGFOHJRHSC-IBGZPJMESA-N -1 3 364.392 2.588 20 30 FFEDHM C=C1CCN(c2nnc(-c3cnc[n-]c3=O)n2CCc2ccccc2)CC1 ZINC001263178566 1042152597 /nfs/dbraw/zinc/15/25/97/1042152597.db2.gz PFYQDKBJOPEFAV-UHFFFAOYSA-N -1 3 362.437 2.840 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OC ZINC001309759952 1043512576 /nfs/dbraw/zinc/51/25/76/1043512576.db2.gz BNKKAEJAJWVCEI-CYBMUJFWSA-N -1 3 365.373 2.633 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)CC[C@H]1CCc2ccccc21)C(=O)OC ZINC001309763140 1043514155 /nfs/dbraw/zinc/51/41/55/1043514155.db2.gz WTWMTBOVRNUCBC-NVXWUHKLSA-N -1 3 351.468 2.534 20 30 FFEDHM N#Cc1nc(NC(=O)NCc2c([O-])cccc2F)ccc1Br ZINC001311073533 1043795205 /nfs/dbraw/zinc/79/52/05/1043795205.db2.gz GTAWCBCESMQQIB-UHFFFAOYSA-N -1 3 365.162 2.882 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1snc(Cl)c1C#N ZINC001319218274 1045071807 /nfs/dbraw/zinc/07/18/07/1045071807.db2.gz DYUXLYKXDRIVSW-UHFFFAOYSA-N -1 3 360.823 2.791 20 30 FFEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccn(C)c1 ZINC001319601916 1045210548 /nfs/dbraw/zinc/21/05/48/1045210548.db2.gz SUYTXQGZWHFIPF-UHFFFAOYSA-N -1 3 354.435 2.935 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2nnc(COc3ccccc3C#N)o2)cc1 ZINC001326091796 1046760928 /nfs/dbraw/zinc/76/09/28/1046760928.db2.gz DCVLGUZSHXTAKH-UHFFFAOYSA-N -1 3 370.390 2.559 20 30 FFEDHM C=C(C)C[C@H](NCc1ccc(F)cc1I)C(=O)[O-] ZINC001331912934 1048168335 /nfs/dbraw/zinc/16/83/35/1048168335.db2.gz NZKKLCLNTVGAML-LBPRGKRZSA-N -1 3 363.170 2.939 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001290514235 1048185337 /nfs/dbraw/zinc/18/53/37/1048185337.db2.gz ZZQRGOJVQCWWLW-CVEARBPZSA-N -1 3 356.466 2.915 20 30 FFEDHM Cc1ccc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1Br ZINC001329654501 1048835589 /nfs/dbraw/zinc/83/55/89/1048835589.db2.gz CNGWBDIAKFHSHB-UHFFFAOYSA-N -1 3 365.252 2.996 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC001295936262 1050002875 /nfs/dbraw/zinc/00/28/75/1050002875.db2.gz KUIIYHJBQVGHJG-OAHLLOKOSA-N -1 3 353.332 2.674 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(C(=O)OC)CC3)n2C)c1[O-] ZINC001341828892 1050440855 /nfs/dbraw/zinc/44/08/55/1050440855.db2.gz XTTATHWWKRQALZ-UHFFFAOYSA-N -1 3 370.453 2.696 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001298541123 1050470470 /nfs/dbraw/zinc/47/04/70/1050470470.db2.gz CRWXRLBNJIIERM-HNNXBMFYSA-N -1 3 361.785 2.637 20 30 FFEDHM C=CCN(Cc1cccs1)c1nnc(-c2c[n-]oc2=O)n1CCOC ZINC001341951792 1050547870 /nfs/dbraw/zinc/54/78/70/1050547870.db2.gz SAVIWJMZDPBQQR-UHFFFAOYSA-N -1 3 361.427 2.539 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](N(C)c2ccccc2)C1 ZINC001340379454 1050772574 /nfs/dbraw/zinc/77/25/74/1050772574.db2.gz BNNACJGJHXFBPL-OAHLLOKOSA-N -1 3 366.425 2.540 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001340460077 1050853686 /nfs/dbraw/zinc/85/36/86/1050853686.db2.gz ULBAJPYEHGPRHT-LJQANCHMSA-N -1 3 352.442 2.953 20 30 FFEDHM CCOc1cccc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC)n1 ZINC001340464056 1050857836 /nfs/dbraw/zinc/85/78/36/1050857836.db2.gz HTRDIMTYVDBCOU-UHFFFAOYSA-N -1 3 370.434 2.834 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001340732156 1051091310 /nfs/dbraw/zinc/09/13/10/1051091310.db2.gz CDHZHJYVPVUQOU-ZDUSSCGKSA-N -1 3 371.832 2.950 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001340732156 1051091315 /nfs/dbraw/zinc/09/13/15/1051091315.db2.gz CDHZHJYVPVUQOU-ZDUSSCGKSA-N -1 3 371.832 2.950 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccccc1 ZINC001342521898 1051125027 /nfs/dbraw/zinc/12/50/27/1051125027.db2.gz JCQHXARIIRINBY-UHFFFAOYSA-N -1 3 350.426 2.962 20 30 FFEDHM CCn1c(-c2nnc(Cl)[n-]2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001340800111 1051144920 /nfs/dbraw/zinc/14/49/20/1051144920.db2.gz NKKWPRDNGPPQQR-UHFFFAOYSA-N -1 3 368.832 2.777 20 30 FFEDHM CCn1c(-c2n[n-]c(Cl)n2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001340800111 1051144926 /nfs/dbraw/zinc/14/49/26/1051144926.db2.gz NKKWPRDNGPPQQR-UHFFFAOYSA-N -1 3 368.832 2.777 20 30 FFEDHM CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001340799306 1051145503 /nfs/dbraw/zinc/14/55/03/1051145503.db2.gz GIGUJJQZVWPMOU-SNVBAGLBSA-N -1 3 356.821 2.806 20 30 FFEDHM CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001340799306 1051145508 /nfs/dbraw/zinc/14/55/08/1051145508.db2.gz GIGUJJQZVWPMOU-SNVBAGLBSA-N -1 3 356.821 2.806 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(F)F)cn2)cc1 ZINC001342595372 1051202555 /nfs/dbraw/zinc/20/25/55/1051202555.db2.gz KKWDESADRBVWPA-CYBMUJFWSA-N -1 3 361.304 2.653 20 30 FFEDHM COCCn1cc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c(C)n1 ZINC001343703948 1052380696 /nfs/dbraw/zinc/38/06/96/1052380696.db2.gz FRCBYBLCKSQXTE-QGZVFWFLSA-N -1 3 363.421 2.573 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001345811499 1052623508 /nfs/dbraw/zinc/62/35/08/1052623508.db2.gz GXMKQBUSIBNFKN-ZOCZFRKYSA-N -1 3 356.466 2.915 20 30 FFEDHM COCCCn1cc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)cn1 ZINC001344368145 1052737131 /nfs/dbraw/zinc/73/71/31/1052737131.db2.gz LPVJYGRNEVTYTI-GFCCVEGCSA-N -1 3 357.801 2.939 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(C#N)CCCCC2)c(Cl)c1 ZINC001337052622 1054441662 /nfs/dbraw/zinc/44/16/62/1054441662.db2.gz QRXKCPAQVHOGBT-UHFFFAOYSA-N -1 3 355.847 2.668 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)C2CCCC2)c(Cl)c1 ZINC001337408430 1054728510 /nfs/dbraw/zinc/72/85/10/1054728510.db2.gz DKSWDFBGECIQKA-AWEZNQCLSA-N -1 3 355.847 2.524 20 30 FFEDHM C=C[C@@H](CC(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001349214443 1055145442 /nfs/dbraw/zinc/14/54/42/1055145442.db2.gz UOSMZKPTLXGYBG-FUHWJXTLSA-N -1 3 366.465 2.936 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001356463681 1055516467 /nfs/dbraw/zinc/51/64/67/1055516467.db2.gz UBHDUUKHQXMWPF-OAHLLOKOSA-N -1 3 359.430 2.610 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001338835401 1055858349 /nfs/dbraw/zinc/85/83/49/1055858349.db2.gz YCLJMNYAWKOUIG-UHFFFAOYSA-N -1 3 366.425 2.580 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001351452633 1056268908 /nfs/dbraw/zinc/26/89/08/1056268908.db2.gz KJXHTALTRMBGMM-TXEJJXNPSA-N -1 3 369.450 2.814 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)C(=O)OCC ZINC001544338734 1071629466 /nfs/dbraw/zinc/62/94/66/1071629466.db2.gz IONPGWFHCFOKER-CYBMUJFWSA-N -1 3 361.772 2.978 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000848130490 1059096597 /nfs/dbraw/zinc/09/65/97/1059096597.db2.gz KMEZYHNBPLCXIO-ZDUSSCGKSA-N -1 3 372.343 2.503 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000848131619 1059098033 /nfs/dbraw/zinc/09/80/33/1059098033.db2.gz AVWPQLXHXHSWPU-IBGZPJMESA-N -1 3 352.434 2.584 20 30 FFEDHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N[C@H]1CCCN([O-])C1=O ZINC000848136024 1059106717 /nfs/dbraw/zinc/10/67/17/1059106717.db2.gz KSONNCABSPTDSW-MOPGFXCFSA-N -1 3 352.434 2.899 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]1CSC ZINC001515030675 1059240759 /nfs/dbraw/zinc/24/07/59/1059240759.db2.gz AFABJOWRTRZDTN-JTQLQIEISA-N -1 3 353.883 2.625 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]1CSC ZINC001515030675 1059240776 /nfs/dbraw/zinc/24/07/76/1059240776.db2.gz AFABJOWRTRZDTN-JTQLQIEISA-N -1 3 353.883 2.625 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cc([O-])cc(Br)c1)C2 ZINC001455040262 1059679382 /nfs/dbraw/zinc/67/93/82/1059679382.db2.gz VNQGPAVCUZJRHE-OAHLLOKOSA-N -1 3 357.207 2.924 20 30 FFEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCO[C@H](C)C1 ZINC001520615494 1059874255 /nfs/dbraw/zinc/87/42/55/1059874255.db2.gz KPFHYAAMUOPYJF-CYBMUJFWSA-N -1 3 362.861 2.833 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C(C)C)C(C)C)ccc1F ZINC001517284909 1060433691 /nfs/dbraw/zinc/43/36/91/1060433691.db2.gz FBWLYRPAXQRBNQ-UHFFFAOYSA-N -1 3 370.490 2.948 20 30 FFEDHM Cc1ccc([C@H](C)C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)o1 ZINC001458002575 1060487603 /nfs/dbraw/zinc/48/76/03/1060487603.db2.gz NJOGGTLMJXNBCI-ZDUSSCGKSA-N -1 3 356.378 2.596 20 30 FFEDHM Cc1nn(C(C)(C)C)c2nc(Cl)c(CN[C@@H]3CCCN([O-])C3=O)cc12 ZINC001462399378 1061609306 /nfs/dbraw/zinc/60/93/06/1061609306.db2.gz DJQJDVMDKGCDAW-CYBMUJFWSA-N -1 3 365.865 2.618 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC001361249171 1062128587 /nfs/dbraw/zinc/12/85/87/1062128587.db2.gz CWFSZOWAZDAYJX-UHFFFAOYSA-N -1 3 366.425 2.670 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OC(F)(F)F)cc1 ZINC001465588152 1063144788 /nfs/dbraw/zinc/14/47/88/1063144788.db2.gz QFWDAMNGOCVBSP-GFCCVEGCSA-N -1 3 352.268 2.991 20 30 FFEDHM C=C(C)CCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001525521381 1063328553 /nfs/dbraw/zinc/32/85/53/1063328553.db2.gz CSHIPOMQKFMIJX-UHFFFAOYSA-N -1 3 365.282 2.744 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(Cl)cc1C#N ZINC001575495542 1078145383 /nfs/dbraw/zinc/14/53/83/1078145383.db2.gz ZKKFDOARXYGYCL-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N([O-])Cc1ccccc1Cl ZINC001472619010 1065113264 /nfs/dbraw/zinc/11/32/64/1065113264.db2.gz RXSUYZKBVLIQQW-OKILXGFUSA-N -1 3 364.829 2.623 20 30 FFEDHM N#Cc1cn(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(Cl)cc2c1=O ZINC001472988141 1065179790 /nfs/dbraw/zinc/17/97/90/1065179790.db2.gz MCOGQEWKFJBXGG-UHFFFAOYSA-N -1 3 352.781 2.948 20 30 FFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001576485255 1078234409 /nfs/dbraw/zinc/23/44/09/1078234409.db2.gz ZOHZBCNLZDCSAL-AWEZNQCLSA-N -1 3 362.393 2.934 20 30 FFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001576485255 1078234411 /nfs/dbraw/zinc/23/44/11/1078234411.db2.gz ZOHZBCNLZDCSAL-AWEZNQCLSA-N -1 3 362.393 2.934 20 30 FFEDHM COc1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001579890001 1078708951 /nfs/dbraw/zinc/70/89/51/1078708951.db2.gz JWDXIQIOTCJJSP-GFCCVEGCSA-N -1 3 362.393 2.580 20 30 FFEDHM COc1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001579890001 1078708956 /nfs/dbraw/zinc/70/89/56/1078708956.db2.gz JWDXIQIOTCJJSP-GFCCVEGCSA-N -1 3 362.393 2.580 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)[C@@H](C)C#N)cc1 ZINC001580623907 1078840336 /nfs/dbraw/zinc/84/03/36/1078840336.db2.gz HUZDSHKMUQODBX-ZDUSSCGKSA-N -1 3 362.393 2.952 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)[C@@H](C)C#N)cc1 ZINC001580623907 1078840347 /nfs/dbraw/zinc/84/03/47/1078840347.db2.gz HUZDSHKMUQODBX-ZDUSSCGKSA-N -1 3 362.393 2.952 20 30 FFEDHM Cc1cc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc(C)c1C#N ZINC001580889082 1078887177 /nfs/dbraw/zinc/88/71/77/1078887177.db2.gz LRIUBCCDIJTNMY-UHFFFAOYSA-N -1 3 351.341 2.851 20 30 FFEDHM Cc1cc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc(C)c1C#N ZINC001580889082 1078887183 /nfs/dbraw/zinc/88/71/83/1078887183.db2.gz LRIUBCCDIJTNMY-UHFFFAOYSA-N -1 3 351.341 2.851 20 30 FFEDHM CC(C)[C@H](C#N)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001556113736 1075702132 /nfs/dbraw/zinc/70/21/32/1075702132.db2.gz FJQWLVXOCIBSFP-NSHDSACASA-N -1 3 353.300 2.705 20 30 FFEDHM Cc1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc(C)c1C#N ZINC001556528775 1075749950 /nfs/dbraw/zinc/74/99/50/1075749950.db2.gz XBVOPMXEJJPQQL-ZIAGYGMSSA-N -1 3 366.421 2.669 20 30 FFEDHM CC(C)c1ccc(Oc2cc(C(=O)N[C@@H]3CCN([O-])C3=O)ccn2)cc1 ZINC001556750269 1075771878 /nfs/dbraw/zinc/77/18/78/1075771878.db2.gz FMUAURJIDIGHKP-MRXNPFEDSA-N -1 3 355.394 2.717 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC)[C@H]2CC2(C)C)ccc1F ZINC001570452506 1077206937 /nfs/dbraw/zinc/20/69/37/1077206937.db2.gz UEUFZJIMXIRERH-UKRRQHHQSA-N -1 3 368.474 2.845 20 30 FFEDHM C=CCC1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)CCC1 ZINC001573043146 1077485486 /nfs/dbraw/zinc/48/54/86/1077485486.db2.gz SMFSXYXMDBTEAY-NVXWUHKLSA-N -1 3 354.450 2.812 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573307854 1077666109 /nfs/dbraw/zinc/66/61/09/1077666109.db2.gz WHXDJGWVCVFGOU-KXBFYZLASA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573307854 1077666112 /nfs/dbraw/zinc/66/61/12/1077666112.db2.gz WHXDJGWVCVFGOU-KXBFYZLASA-N -1 3 371.489 2.725 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2cnccc2C#N)cc1-c1nnn[n-]1 ZINC001573876941 1077831825 /nfs/dbraw/zinc/83/18/25/1077831825.db2.gz XCZODUBSRNLOPD-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2cnccc2C#N)cc1-c1nn[n-]n1 ZINC001573876941 1077831829 /nfs/dbraw/zinc/83/18/29/1077831829.db2.gz XCZODUBSRNLOPD-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)C3(C#N)CCSCC3)nc21 ZINC001586152455 1079560600 /nfs/dbraw/zinc/56/06/00/1079560600.db2.gz XXLHCQPKGUHPIX-UHFFFAOYSA-N -1 3 358.423 2.715 20 30 FFEDHM COC(=O)c1cc2nc(NC(=O)C(C)(C)C#N)[n-]c2c(Br)c1 ZINC001586201760 1079572236 /nfs/dbraw/zinc/57/22/36/1079572236.db2.gz GRGAPNGUNDFXQJ-UHFFFAOYSA-N -1 3 365.187 2.600 20 30 FFEDHM N#CCCN(C(=O)CCC(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1 ZINC001587205511 1079754738 /nfs/dbraw/zinc/75/47/38/1079754738.db2.gz WVMAHCIKGHRVKC-UHFFFAOYSA-N -1 3 362.389 2.695 20 30 FFEDHM C#C[C@H](Nc1cc(-c2nnn[n-]2)c(Br)cn1)c1ccc(F)cc1 ZINC001588328441 1079985775 /nfs/dbraw/zinc/98/57/75/1079985775.db2.gz HCHDJKUEUUWQPI-ZDUSSCGKSA-N -1 3 373.189 2.950 20 30 FFEDHM C#C[C@H](Nc1cc(-c2nn[n-]n2)c(Br)cn1)c1ccc(F)cc1 ZINC001588328441 1079985781 /nfs/dbraw/zinc/98/57/81/1079985781.db2.gz HCHDJKUEUUWQPI-ZDUSSCGKSA-N -1 3 373.189 2.950 20 30 FFEDHM C#CCCCCCC(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588345219 1079990047 /nfs/dbraw/zinc/99/00/47/1079990047.db2.gz VOPLPDTVJGKLHQ-AWEZNQCLSA-N -1 3 372.448 2.530 20 30 FFEDHM C#CCCCCCC(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588345219 1079990050 /nfs/dbraw/zinc/99/00/50/1079990050.db2.gz VOPLPDTVJGKLHQ-AWEZNQCLSA-N -1 3 372.448 2.530 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@H](C)CC2 ZINC001588360133 1079991909 /nfs/dbraw/zinc/99/19/09/1079991909.db2.gz JHUGJRYGKSHVLZ-GMTAPVOTSA-N -1 3 359.455 2.591 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@H](C)CC2 ZINC001588360133 1079991912 /nfs/dbraw/zinc/99/19/12/1079991912.db2.gz JHUGJRYGKSHVLZ-GMTAPVOTSA-N -1 3 359.455 2.591 20 30 FFEDHM C#CCOc1ccc(F)cc1NCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001588362044 1079994101 /nfs/dbraw/zinc/99/41/01/1079994101.db2.gz QEBTVAUGDWMNMM-UHFFFAOYSA-N -1 3 362.368 2.883 20 30 FFEDHM C#CCOc1ccc(F)cc1NCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001588362044 1079994105 /nfs/dbraw/zinc/99/41/05/1079994105.db2.gz QEBTVAUGDWMNMM-UHFFFAOYSA-N -1 3 362.368 2.883 20 30 FFEDHM C#Cc1ccc(CNc2ncc(Br)cc2-c2nnn[n-]2)cc1 ZINC001588373164 1079996620 /nfs/dbraw/zinc/99/66/20/1079996620.db2.gz CNGGGYHDKUDDKM-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C#Cc1ccc(CNc2ncc(Br)cc2-c2nn[n-]n2)cc1 ZINC001588373164 1079996625 /nfs/dbraw/zinc/99/66/25/1079996625.db2.gz CNGGGYHDKUDDKM-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588392018 1080002876 /nfs/dbraw/zinc/00/28/76/1080002876.db2.gz UDGXFOHAJTWVAZ-UONOGXRCSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588392018 1080002887 /nfs/dbraw/zinc/00/28/87/1080002887.db2.gz UDGXFOHAJTWVAZ-UONOGXRCSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588394843 1080006629 /nfs/dbraw/zinc/00/66/29/1080006629.db2.gz GAEMOXIGQVTRKU-UONOGXRCSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588394843 1080006638 /nfs/dbraw/zinc/00/66/38/1080006638.db2.gz GAEMOXIGQVTRKU-UONOGXRCSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588395676 1080008932 /nfs/dbraw/zinc/00/89/32/1080008932.db2.gz ISPYVXJUMGJGOJ-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588395676 1080008942 /nfs/dbraw/zinc/00/89/42/1080008942.db2.gz ISPYVXJUMGJGOJ-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588401009 1080009691 /nfs/dbraw/zinc/00/96/91/1080009691.db2.gz KKMQPBMNGFBHBD-JOYOIKCWSA-N -1 3 354.336 2.674 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588401009 1080009697 /nfs/dbraw/zinc/00/96/97/1080009697.db2.gz KKMQPBMNGFBHBD-JOYOIKCWSA-N -1 3 354.336 2.674 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588409481 1080014055 /nfs/dbraw/zinc/01/40/55/1080014055.db2.gz FGIUOGHTVBZXSG-IBGZPJMESA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588409481 1080014062 /nfs/dbraw/zinc/01/40/62/1080014062.db2.gz FGIUOGHTVBZXSG-IBGZPJMESA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)C[C@H](Nc1nc(C)c(-c2nnn[n-]2)cc1Cl)C(=O)OCC ZINC001588410645 1080014167 /nfs/dbraw/zinc/01/41/67/1080014167.db2.gz UBISBMPFJUDGJQ-LBPRGKRZSA-N -1 3 350.810 2.533 20 30 FFEDHM C=C(C)C[C@H](Nc1nc(C)c(-c2nn[n-]n2)cc1Cl)C(=O)OCC ZINC001588410645 1080014173 /nfs/dbraw/zinc/01/41/73/1080014173.db2.gz UBISBMPFJUDGJQ-LBPRGKRZSA-N -1 3 350.810 2.533 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588416659 1080018811 /nfs/dbraw/zinc/01/88/11/1080018811.db2.gz XNEGZIYNXIYPJQ-CABCVRRESA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588416659 1080018819 /nfs/dbraw/zinc/01/88/19/1080018819.db2.gz XNEGZIYNXIYPJQ-CABCVRRESA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588425984 1080023648 /nfs/dbraw/zinc/02/36/48/1080023648.db2.gz FNZQSTQBIRKVGQ-UHFFFAOYSA-N -1 3 354.414 2.547 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588425984 1080023658 /nfs/dbraw/zinc/02/36/58/1080023658.db2.gz FNZQSTQBIRKVGQ-UHFFFAOYSA-N -1 3 354.414 2.547 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588482238 1080046756 /nfs/dbraw/zinc/04/67/56/1080046756.db2.gz SXYQNPKNKHAQGE-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588482238 1080046765 /nfs/dbraw/zinc/04/67/65/1080046765.db2.gz SXYQNPKNKHAQGE-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001588491879 1080053507 /nfs/dbraw/zinc/05/35/07/1080053507.db2.gz LOEDDCVPDPSRBT-AUUYWEPGSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001588491879 1080053512 /nfs/dbraw/zinc/05/35/12/1080053512.db2.gz LOEDDCVPDPSRBT-AUUYWEPGSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001588491880 1080054181 /nfs/dbraw/zinc/05/41/81/1080054181.db2.gz LOEDDCVPDPSRBT-IFXJQAMLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001588491880 1080054188 /nfs/dbraw/zinc/05/41/88/1080054188.db2.gz LOEDDCVPDPSRBT-IFXJQAMLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)CC(C)C ZINC001588492020 1080054692 /nfs/dbraw/zinc/05/46/92/1080054692.db2.gz NOKMRFIECISUST-KXBFYZLASA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)CC(C)C ZINC001588492020 1080054701 /nfs/dbraw/zinc/05/47/01/1080054701.db2.gz NOKMRFIECISUST-KXBFYZLASA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588494239 1080058831 /nfs/dbraw/zinc/05/88/31/1080058831.db2.gz QBZFUAMBEKRQOY-KPZWWZAWSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588494239 1080058839 /nfs/dbraw/zinc/05/88/39/1080058839.db2.gz QBZFUAMBEKRQOY-KPZWWZAWSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@H](CC)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001588525482 1080077605 /nfs/dbraw/zinc/07/76/05/1080077605.db2.gz HZQRHDBYARWVFX-NSHDSACASA-N -1 3 355.377 2.732 20 30 FFEDHM C=CC[C@H](C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588530417 1080079155 /nfs/dbraw/zinc/07/91/55/1080079155.db2.gz LOPQLYSIKCMMAH-INIZCTEOSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CC[C@H](C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588530417 1080079165 /nfs/dbraw/zinc/07/91/65/1080079165.db2.gz LOPQLYSIKCMMAH-INIZCTEOSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588532964 1080084021 /nfs/dbraw/zinc/08/40/21/1080084021.db2.gz KDEDYUUTPGTBOC-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588532964 1080084029 /nfs/dbraw/zinc/08/40/29/1080084029.db2.gz KDEDYUUTPGTBOC-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588544619 1080089601 /nfs/dbraw/zinc/08/96/01/1080089601.db2.gz NDFFPKXLKVMNFU-ZDUSSCGKSA-N -1 3 372.448 2.715 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588544619 1080089610 /nfs/dbraw/zinc/08/96/10/1080089610.db2.gz NDFFPKXLKVMNFU-ZDUSSCGKSA-N -1 3 372.448 2.715 20 30 FFEDHM C=CCC1(NC(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)CCCCC1 ZINC001588556872 1080094657 /nfs/dbraw/zinc/09/46/57/1080094657.db2.gz GGILJVCQJZFIIH-UHFFFAOYSA-N -1 3 354.458 2.942 20 30 FFEDHM C=CCC1(NC(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)CCCCC1 ZINC001588556872 1080094666 /nfs/dbraw/zinc/09/46/66/1080094666.db2.gz GGILJVCQJZFIIH-UHFFFAOYSA-N -1 3 354.458 2.942 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588559504 1080096459 /nfs/dbraw/zinc/09/64/59/1080096459.db2.gz KFUPKMICMKVTCR-BLLLJJGKSA-N -1 3 358.421 2.940 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588559504 1080096465 /nfs/dbraw/zinc/09/64/65/1080096465.db2.gz KFUPKMICMKVTCR-BLLLJJGKSA-N -1 3 358.421 2.940 20 30 FFEDHM C=CC[C@H]1N(C(=O)COc2cccc(-c3nnn[n-]3)c2)CCCC1(C)C ZINC001588564884 1080099772 /nfs/dbraw/zinc/09/97/72/1080099772.db2.gz TZFUIGSCMZQAMZ-MRXNPFEDSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CC[C@H]1N(C(=O)COc2cccc(-c3nn[n-]n3)c2)CCCC1(C)C ZINC001588564884 1080099780 /nfs/dbraw/zinc/09/97/80/1080099780.db2.gz TZFUIGSCMZQAMZ-MRXNPFEDSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CCCC(=O)N(C)C1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588564554 1080100054 /nfs/dbraw/zinc/10/00/54/1080100054.db2.gz OBFUMCKKLBKVOM-UHFFFAOYSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCC(=O)N(C)C1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588564554 1080100063 /nfs/dbraw/zinc/10/00/63/1080100063.db2.gz OBFUMCKKLBKVOM-UHFFFAOYSA-N -1 3 369.473 2.718 20 30 FFEDHM C=CCCCC(=O)NC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001588587502 1080110970 /nfs/dbraw/zinc/11/09/70/1080110970.db2.gz WMKRFOBMNBJGLG-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C=CCCCC(=O)NC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001588587502 1080110971 /nfs/dbraw/zinc/11/09/71/1080110971.db2.gz WMKRFOBMNBJGLG-UHFFFAOYSA-N -1 3 369.473 2.767 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588590255 1080113422 /nfs/dbraw/zinc/11/34/22/1080113422.db2.gz FAWHEDURMWXJNF-HZPDHXFCSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588590255 1080113427 /nfs/dbraw/zinc/11/34/27/1080113427.db2.gz FAWHEDURMWXJNF-HZPDHXFCSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCCCNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588596375 1080116914 /nfs/dbraw/zinc/11/69/14/1080116914.db2.gz OVKWDEKJQZCZSH-UHFFFAOYSA-N -1 3 365.441 2.837 20 30 FFEDHM C=CCCCCCNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588596375 1080116917 /nfs/dbraw/zinc/11/69/17/1080116917.db2.gz OVKWDEKJQZCZSH-UHFFFAOYSA-N -1 3 365.441 2.837 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)[C@H](C)COC ZINC001588625262 1080126297 /nfs/dbraw/zinc/12/62/97/1080126297.db2.gz FGVGYLUIXHTANI-GFCCVEGCSA-N -1 3 356.430 2.799 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)[C@H](C)COC ZINC001588625262 1080126302 /nfs/dbraw/zinc/12/63/02/1080126302.db2.gz FGVGYLUIXHTANI-GFCCVEGCSA-N -1 3 356.430 2.799 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C(C)C)C1CC1 ZINC001588639607 1080132927 /nfs/dbraw/zinc/13/29/27/1080132927.db2.gz CUDDPIKINLCWFD-QGZVFWFLSA-N -1 3 354.458 2.999 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C(C)C)C1CC1 ZINC001588639607 1080132929 /nfs/dbraw/zinc/13/29/29/1080132929.db2.gz CUDDPIKINLCWFD-QGZVFWFLSA-N -1 3 354.458 2.999 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccsc1 ZINC001588641552 1080134869 /nfs/dbraw/zinc/13/48/69/1080134869.db2.gz HWVDRXYMMFOWHB-UHFFFAOYSA-N -1 3 368.466 2.869 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccsc1 ZINC001588641552 1080134872 /nfs/dbraw/zinc/13/48/72/1080134872.db2.gz HWVDRXYMMFOWHB-UHFFFAOYSA-N -1 3 368.466 2.869 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)onc1CC ZINC001588648765 1080137825 /nfs/dbraw/zinc/13/78/25/1080137825.db2.gz BBWIXFUBWYYDPE-UHFFFAOYSA-N -1 3 352.398 2.554 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)onc1CC ZINC001588648765 1080137829 /nfs/dbraw/zinc/13/78/29/1080137829.db2.gz BBWIXFUBWYYDPE-UHFFFAOYSA-N -1 3 352.398 2.554 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C=O)ccc1F ZINC001588648817 1080138468 /nfs/dbraw/zinc/13/84/68/1080138468.db2.gz BHFBXHXGELLDJL-UHFFFAOYSA-N -1 3 365.368 2.647 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C=O)ccc1F ZINC001588648817 1080138473 /nfs/dbraw/zinc/13/84/73/1080138473.db2.gz BHFBXHXGELLDJL-UHFFFAOYSA-N -1 3 365.368 2.647 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588653418 1080143574 /nfs/dbraw/zinc/14/35/74/1080143574.db2.gz HRCNABNAQXOVTR-UHFFFAOYSA-N -1 3 367.384 2.599 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588653418 1080143580 /nfs/dbraw/zinc/14/35/80/1080143580.db2.gz HRCNABNAQXOVTR-UHFFFAOYSA-N -1 3 367.384 2.599 20 30 FFEDHM CC#CCN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001588746541 1080179971 /nfs/dbraw/zinc/17/99/71/1080179971.db2.gz SYROTFFWPWUCMT-UHFFFAOYSA-N -1 3 363.381 2.541 20 30 FFEDHM CC#CCN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001588746541 1080179981 /nfs/dbraw/zinc/17/99/81/1080179981.db2.gz SYROTFFWPWUCMT-UHFFFAOYSA-N -1 3 363.381 2.541 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776596 1080190549 /nfs/dbraw/zinc/19/05/49/1080190549.db2.gz VNKLOCQBRIAAAR-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776596 1080190554 /nfs/dbraw/zinc/19/05/54/1080190554.db2.gz VNKLOCQBRIAAAR-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM Cc1c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cnn1C(C)C ZINC001588777102 1080190721 /nfs/dbraw/zinc/19/07/21/1080190721.db2.gz DVUADMCVUAVAEV-UHFFFAOYSA-N -1 3 359.825 2.837 20 30 FFEDHM Cc1c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cnn1C(C)C ZINC001588777102 1080190725 /nfs/dbraw/zinc/19/07/25/1080190725.db2.gz DVUADMCVUAVAEV-UHFFFAOYSA-N -1 3 359.825 2.837 20 30 FFEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001588906584 1080254778 /nfs/dbraw/zinc/25/47/78/1080254778.db2.gz AWGUSPFENKVQAW-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001588906584 1080254785 /nfs/dbraw/zinc/25/47/85/1080254785.db2.gz AWGUSPFENKVQAW-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(C)(CCC#N)COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589272105 1080458130 /nfs/dbraw/zinc/45/81/30/1080458130.db2.gz FQHNJJZZRMJQGE-MRXNPFEDSA-N -1 3 368.441 2.709 20 30 FFEDHM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC001589319803 1080481275 /nfs/dbraw/zinc/48/12/75/1080481275.db2.gz WJUOYOPHRPEMMU-UHFFFAOYSA-N -1 3 350.357 2.543 20 30 FFEDHM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC001589319803 1080481277 /nfs/dbraw/zinc/48/12/77/1080481277.db2.gz WJUOYOPHRPEMMU-UHFFFAOYSA-N -1 3 350.357 2.543 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1cccc(-c2nnn[n-]2)c1Cl ZINC001589419486 1080522189 /nfs/dbraw/zinc/52/21/89/1080522189.db2.gz PSPHLUWMGSRZDN-HNNXBMFYSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1cccc(-c2nn[n-]n2)c1Cl ZINC001589419486 1080522196 /nfs/dbraw/zinc/52/21/96/1080522196.db2.gz PSPHLUWMGSRZDN-HNNXBMFYSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)(C#N)c1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001589557334 1080605022 /nfs/dbraw/zinc/60/50/22/1080605022.db2.gz BNXQZJNIGLTMIL-MRXNPFEDSA-N -1 3 353.426 2.615 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NCc2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC001589664679 1080658790 /nfs/dbraw/zinc/65/87/90/1080658790.db2.gz UMIDTOUSUTVZHL-UHFFFAOYSA-N -1 3 372.339 2.649 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NCc2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC001589664679 1080658792 /nfs/dbraw/zinc/65/87/92/1080658792.db2.gz UMIDTOUSUTVZHL-UHFFFAOYSA-N -1 3 372.339 2.649 20 30 FFEDHM C[C@@H](CO)CCCNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589882995 1080830209 /nfs/dbraw/zinc/83/02/09/1080830209.db2.gz VRQNIHDMHGLFMQ-CYBMUJFWSA-N -1 3 369.473 2.613 20 30 FFEDHM C[C@@H](CO)CCCNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589882995 1080830214 /nfs/dbraw/zinc/83/02/14/1080830214.db2.gz VRQNIHDMHGLFMQ-CYBMUJFWSA-N -1 3 369.473 2.613 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC001590042269 1080967193 /nfs/dbraw/zinc/96/71/93/1080967193.db2.gz CLWIVHZQCQAIRL-SNVBAGLBSA-N -1 3 368.347 2.850 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC001590042269 1080967196 /nfs/dbraw/zinc/96/71/96/1080967196.db2.gz CLWIVHZQCQAIRL-SNVBAGLBSA-N -1 3 368.347 2.850 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC#Cc1ccccc1 ZINC001590046149 1080975138 /nfs/dbraw/zinc/97/51/38/1080975138.db2.gz ZQFRRYIIKWIIHS-HNNXBMFYSA-N -1 3 360.421 2.621 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCC#Cc1ccccc1 ZINC001590046149 1080975141 /nfs/dbraw/zinc/97/51/41/1080975141.db2.gz ZQFRRYIIKWIIHS-HNNXBMFYSA-N -1 3 360.421 2.621 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1(C)C ZINC001590146812 1081050160 /nfs/dbraw/zinc/05/01/60/1081050160.db2.gz GDDZWCSWRXMVRQ-HOTGVXAUSA-N -1 3 373.453 2.919 20 30 FFEDHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000152975033 251087025 /nfs/dbraw/zinc/08/70/25/251087025.db2.gz SPEHOXANGDTIHG-GFCCVEGCSA-N -1 3 364.446 2.997 20 30 FFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000273310384 252278282 /nfs/dbraw/zinc/27/82/82/252278282.db2.gz VQVNYDSTBGGOHN-UHFFFAOYSA-N -1 3 356.378 2.858 20 30 FFEDHM CCc1ccc([O-])c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000332404111 258228973 /nfs/dbraw/zinc/22/89/73/258228973.db2.gz WJHOAXJYXRKFIZ-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594721372 520111830 /nfs/dbraw/zinc/11/18/30/520111830.db2.gz RWBYYZBIWLWRIW-GFCCVEGCSA-N -1 3 363.252 2.946 20 30 FFEDHM COc1ccc(-n2ccc(C(=O)Nc3nnc(-c4ccco4)[n-]3)n2)cc1 ZINC000065633798 506338665 /nfs/dbraw/zinc/33/86/65/506338665.db2.gz MKHNBMFGOFXFPR-UHFFFAOYSA-N -1 3 350.338 2.895 20 30 FFEDHM COc1ccc(-n2ccc(C(=O)Nc3nc(-c4ccco4)n[n-]3)n2)cc1 ZINC000065633798 506338668 /nfs/dbraw/zinc/33/86/68/506338668.db2.gz MKHNBMFGOFXFPR-UHFFFAOYSA-N -1 3 350.338 2.895 20 30 FFEDHM COc1ccc(-n2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)n2)cc1 ZINC000065633798 506338672 /nfs/dbraw/zinc/33/86/72/506338672.db2.gz MKHNBMFGOFXFPR-UHFFFAOYSA-N -1 3 350.338 2.895 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065820253 506373070 /nfs/dbraw/zinc/37/30/70/506373070.db2.gz UVVJNBATLAULHL-UHFFFAOYSA-N -1 3 364.361 2.873 20 30 FFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc2c(c1)NC(=O)CCS2 ZINC000053524302 506397766 /nfs/dbraw/zinc/39/77/66/506397766.db2.gz YZSDGHSRXJCIFF-UHFFFAOYSA-N -1 3 366.406 2.937 20 30 FFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc2c(c1)NC(=O)CCS2 ZINC000053524302 506397770 /nfs/dbraw/zinc/39/77/70/506397770.db2.gz YZSDGHSRXJCIFF-UHFFFAOYSA-N -1 3 366.406 2.937 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc2c(c1)NC(=O)CCS2 ZINC000053524302 506397773 /nfs/dbraw/zinc/39/77/73/506397773.db2.gz YZSDGHSRXJCIFF-UHFFFAOYSA-N -1 3 366.406 2.937 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)C[C@@H](C)C#N)nc(=O)c2c1C ZINC000066470173 506528451 /nfs/dbraw/zinc/52/84/51/506528451.db2.gz ZEKNQNXSFDJCKQ-GXSJLCMTSA-N -1 3 362.455 2.622 20 30 FFEDHM CCCCN(CC(F)(F)F)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000041576840 506533734 /nfs/dbraw/zinc/53/37/34/506533734.db2.gz ZKGBORIIKHKONP-UHFFFAOYSA-N -1 3 357.376 2.987 20 30 FFEDHM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000067145515 506771205 /nfs/dbraw/zinc/77/12/05/506771205.db2.gz OVOVZGPPDFJBJV-UHFFFAOYSA-N -1 3 366.826 2.762 20 30 FFEDHM C=CCNC(=O)[C@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000023270640 507343400 /nfs/dbraw/zinc/34/34/00/507343400.db2.gz RRQXNFQUSHKQOA-JTQLQIEISA-N -1 3 352.847 2.820 20 30 FFEDHM N#Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)c2ccccc2n1 ZINC000089589384 507848431 /nfs/dbraw/zinc/84/84/31/507848431.db2.gz MDNKLMIQGIRLMY-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM N#CC1(NC(=O)CN(Cc2ccccc2[O-])C[C@H]2CCCO2)CCCCC1 ZINC000072952774 507875727 /nfs/dbraw/zinc/87/57/27/507875727.db2.gz WDOUZLSORLNOBC-GOSISDBHSA-N -1 3 371.481 2.716 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ccc(F)c(F)c3F)n2)cc1 ZINC000078783124 507906833 /nfs/dbraw/zinc/90/68/33/507906833.db2.gz UBHQVUNDZKBISO-UHFFFAOYSA-N -1 3 357.295 2.868 20 30 FFEDHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000090394670 507916960 /nfs/dbraw/zinc/91/69/60/507916960.db2.gz WQNKXBYHYDRYKY-UHFFFAOYSA-N -1 3 364.409 2.546 20 30 FFEDHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000090394670 507916962 /nfs/dbraw/zinc/91/69/62/507916962.db2.gz WQNKXBYHYDRYKY-UHFFFAOYSA-N -1 3 364.409 2.546 20 30 FFEDHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000090394670 507916966 /nfs/dbraw/zinc/91/69/66/507916966.db2.gz WQNKXBYHYDRYKY-UHFFFAOYSA-N -1 3 364.409 2.546 20 30 FFEDHM CCc1nc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000110503326 508031271 /nfs/dbraw/zinc/03/12/71/508031271.db2.gz WFXUGBLPOOOJLU-LBPRGKRZSA-N -1 3 358.467 2.692 20 30 FFEDHM Cc1ccc([O-])c(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000092704420 508095489 /nfs/dbraw/zinc/09/54/89/508095489.db2.gz AGOGMFHOGZUDKA-UHFFFAOYSA-N -1 3 359.433 2.838 20 30 FFEDHM CCOc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1Cl ZINC000112484308 508190287 /nfs/dbraw/zinc/19/02/87/508190287.db2.gz SMSIDPBDQJTFCG-GFCCVEGCSA-N -1 3 359.817 2.942 20 30 FFEDHM O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1)NC1CC1 ZINC000077527783 508328675 /nfs/dbraw/zinc/32/86/75/508328675.db2.gz JTBQUJGWDWIRKZ-UHFFFAOYSA-N -1 3 352.354 2.985 20 30 FFEDHM O=C(Nc1cccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1)NC1CC1 ZINC000077527783 508328678 /nfs/dbraw/zinc/32/86/78/508328678.db2.gz JTBQUJGWDWIRKZ-UHFFFAOYSA-N -1 3 352.354 2.985 20 30 FFEDHM O=C(Nc1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1)NC1CC1 ZINC000077527783 508328681 /nfs/dbraw/zinc/32/86/81/508328681.db2.gz JTBQUJGWDWIRKZ-UHFFFAOYSA-N -1 3 352.354 2.985 20 30 FFEDHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000152312801 508421971 /nfs/dbraw/zinc/42/19/71/508421971.db2.gz VWUXTJOXERNSQL-SNVBAGLBSA-N -1 3 352.412 2.699 20 30 FFEDHM CS(=O)(=O)c1csc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)c1 ZINC000121919426 508448576 /nfs/dbraw/zinc/44/85/76/508448576.db2.gz IHHSWRFUYSYPBB-UHFFFAOYSA-N -1 3 361.448 2.549 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1 ZINC000127582721 508472359 /nfs/dbraw/zinc/47/23/59/508472359.db2.gz XEVVHODTPTXDCD-XHDPSFHLSA-N -1 3 372.899 2.545 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000116857655 508568154 /nfs/dbraw/zinc/56/81/54/508568154.db2.gz JAODMBMDABIQAB-LLVKDONJSA-N -1 3 351.403 2.649 20 30 FFEDHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)NC1(C#N)CCCCC1 ZINC000117112562 508580341 /nfs/dbraw/zinc/58/03/41/508580341.db2.gz OHYPZNOZAMRVAG-GFCCVEGCSA-N -1 3 356.455 2.690 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000135509663 508615360 /nfs/dbraw/zinc/61/53/60/508615360.db2.gz CXAQRUDKNXBZTB-MRXNPFEDSA-N -1 3 356.513 2.620 20 30 FFEDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157830963 508618879 /nfs/dbraw/zinc/61/88/79/508618879.db2.gz PCXWOLCQZFZDMZ-VIFPVBQESA-N -1 3 353.831 2.726 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(N(C)C)c1 ZINC000153924209 508678645 /nfs/dbraw/zinc/67/86/45/508678645.db2.gz IRRZSPSINRJBRI-UHFFFAOYSA-N -1 3 353.422 2.605 20 30 FFEDHM C=CCN(CC=C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000158736144 508746693 /nfs/dbraw/zinc/74/66/93/508746693.db2.gz POURHQAGHRIFSP-UHFFFAOYSA-N -1 3 372.512 2.591 20 30 FFEDHM C=CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000158935148 508770780 /nfs/dbraw/zinc/77/07/80/508770780.db2.gz JXFOCGYONROIBV-UHFFFAOYSA-N -1 3 374.528 2.815 20 30 FFEDHM C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000124423327 508829244 /nfs/dbraw/zinc/82/92/44/508829244.db2.gz FFVPABZGOHNFPD-STQMWFEESA-N -1 3 359.407 2.937 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000125028119 508921230 /nfs/dbraw/zinc/92/12/30/508921230.db2.gz ITHRRPMXMAGOMK-UHFFFAOYSA-N -1 3 373.409 2.699 20 30 FFEDHM C[C@@]1(c2cccc(NC(=O)c3ccc(C#N)c(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000155131357 508930681 /nfs/dbraw/zinc/93/06/81/508930681.db2.gz ZCPXRZHCVVDWIM-SFHVURJKSA-N -1 3 368.780 2.519 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c(F)c1 ZINC000151065944 508949672 /nfs/dbraw/zinc/94/96/72/508949672.db2.gz FUCNTPYCYXITPN-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000125909662 509043887 /nfs/dbraw/zinc/04/38/87/509043887.db2.gz APQJWJLTCQZAJJ-NSHDSACASA-N -1 3 363.826 2.783 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000156023417 509111889 /nfs/dbraw/zinc/11/18/89/509111889.db2.gz JCCLKAUDGXMZSG-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM N#CC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCCC1 ZINC000133074229 509112551 /nfs/dbraw/zinc/11/25/51/509112551.db2.gz KDQBUJREOIHLKB-UHFFFAOYSA-N -1 3 365.430 2.679 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1cc(Br)c(OC)cc1OC ZINC000156049652 509116975 /nfs/dbraw/zinc/11/69/75/509116975.db2.gz VIVMATHALXGQAL-UHFFFAOYSA-N -1 3 350.234 2.784 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000156066034 509120275 /nfs/dbraw/zinc/12/02/75/509120275.db2.gz LSPHGADAFHAITP-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM CCc1nc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000263909157 509222191 /nfs/dbraw/zinc/22/21/91/509222191.db2.gz RPPWGVDWCNUYEQ-UHFFFAOYSA-N -1 3 358.467 2.586 20 30 FFEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C#N)c(C)n2)[n-]1 ZINC000191963596 509265729 /nfs/dbraw/zinc/26/57/29/509265729.db2.gz VVOKDLXNDYIQMB-UHFFFAOYSA-N -1 3 355.398 2.756 20 30 FFEDHM CCCCc1nc(NC(=O)c2ccc(C#N)c(C)n2)c(C(=O)OCC)[n-]1 ZINC000191963596 509265735 /nfs/dbraw/zinc/26/57/35/509265735.db2.gz VVOKDLXNDYIQMB-UHFFFAOYSA-N -1 3 355.398 2.756 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)C3(c4ccc(C#N)cc4)CC3)[n-]c21 ZINC000188826225 509282491 /nfs/dbraw/zinc/28/24/91/509282491.db2.gz KVYBUDGYKGKHLF-UHFFFAOYSA-N -1 3 360.373 2.891 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4ccc(C#N)cc4)CC3)nc21 ZINC000188826225 509282496 /nfs/dbraw/zinc/28/24/96/509282496.db2.gz KVYBUDGYKGKHLF-UHFFFAOYSA-N -1 3 360.373 2.891 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1C(F)(F)F ZINC000192132585 509362347 /nfs/dbraw/zinc/36/23/47/509362347.db2.gz BSYKVYNCUAUASH-UHFFFAOYSA-N -1 3 364.242 2.756 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCNc1ccccn1 ZINC000264179217 509365859 /nfs/dbraw/zinc/36/58/59/509365859.db2.gz NWTRCCRVGJBZFS-UHFFFAOYSA-N -1 3 367.453 2.612 20 30 FFEDHM COC(=O)CCCOc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000264857841 509743309 /nfs/dbraw/zinc/74/33/09/509743309.db2.gz RDOIBZNXCUOXTQ-SRZZPIQSSA-N -1 3 358.394 2.671 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(Cl)cc2c1OCC2 ZINC000186553713 509768190 /nfs/dbraw/zinc/76/81/90/509768190.db2.gz QIAWRZFXSHXNSQ-UHFFFAOYSA-N -1 3 366.801 2.764 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC000180168445 509791483 /nfs/dbraw/zinc/79/14/83/509791483.db2.gz LPIUYJULJZHLGC-ZDUSSCGKSA-N -1 3 354.859 2.982 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000183569180 509865724 /nfs/dbraw/zinc/86/57/24/509865724.db2.gz BOHWIQBYEGLPBA-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM CCCOc1ccc(/C=N/[C@H]2CCCN(c3cc(C)nn3C)C2=O)c([O-])c1 ZINC000173993634 509892716 /nfs/dbraw/zinc/89/27/16/509892716.db2.gz YHPVBCIWVQFWQE-RSZPVBOMSA-N -1 3 370.453 2.837 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)c(Cl)c1 ZINC000183651956 509906138 /nfs/dbraw/zinc/90/61/38/509906138.db2.gz ZLFTVAAQNQDAJC-UHFFFAOYSA-N -1 3 372.780 2.847 20 30 FFEDHM COC(=O)C1(C/N=C/c2cc(Br)ccc2[O-])CCOCC1 ZINC000180423348 509918746 /nfs/dbraw/zinc/91/87/46/509918746.db2.gz HRLJEIKKBPMBDJ-RQZCQDPDSA-N -1 3 356.216 2.543 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C[S@@](C)=O)c1 ZINC000265340181 510001648 /nfs/dbraw/zinc/00/16/48/510001648.db2.gz XRFZWJSUQLBLIC-AREMUKBSSA-N -1 3 371.462 2.726 20 30 FFEDHM C=CCOc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000194259772 510282610 /nfs/dbraw/zinc/28/26/10/510282610.db2.gz HFRLNICFWPIDII-UHFFFAOYSA-N -1 3 366.417 2.555 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@H](O)c1cccc(F)c1 ZINC000269281494 510323088 /nfs/dbraw/zinc/32/30/88/510323088.db2.gz AUZCRPYHRQRTOW-YJYMSZOUSA-N -1 3 371.412 2.586 20 30 FFEDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000184517772 510368122 /nfs/dbraw/zinc/36/81/22/510368122.db2.gz JXDLFXZHNFZGRA-UHFFFAOYSA-N -1 3 355.872 2.806 20 30 FFEDHM N#Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1[O-] ZINC000187693598 510390179 /nfs/dbraw/zinc/39/01/79/510390179.db2.gz KTQORAMLAZVYLF-CQSZACIVSA-N -1 3 355.463 2.967 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000184985066 510616890 /nfs/dbraw/zinc/61/68/90/510616890.db2.gz GOJZNQZFBKONSY-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000178514726 510640724 /nfs/dbraw/zinc/64/07/24/510640724.db2.gz GFXQGQZXUYRPAX-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263319019 510660583 /nfs/dbraw/zinc/66/05/83/510660583.db2.gz JFOUJVSKMBIYBK-QLFBSQMISA-N -1 3 350.484 2.694 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(COc2ccccc2F)no1 ZINC000188329820 510712827 /nfs/dbraw/zinc/71/28/27/510712827.db2.gz HKUOLXCKSJUMOP-UHFFFAOYSA-N -1 3 368.368 2.750 20 30 FFEDHM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000172545606 510785030 /nfs/dbraw/zinc/78/50/30/510785030.db2.gz DKCHUWYYYRQPGP-OAHLLOKOSA-N -1 3 366.425 2.588 20 30 FFEDHM C=CCCN(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000276072353 510926371 /nfs/dbraw/zinc/92/63/71/510926371.db2.gz AALUUPUWBUQZNM-UHFFFAOYSA-N -1 3 352.456 2.706 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286492087 511025918 /nfs/dbraw/zinc/02/59/18/511025918.db2.gz WSEBAVLILOTPKK-PXAZEXFGSA-N -1 3 364.829 2.791 20 30 FFEDHM C=C[C@H](CO)NCc1cc(Br)cc(Br)c1[O-] ZINC000291532621 511234864 /nfs/dbraw/zinc/23/48/64/511234864.db2.gz KLAHPSNQUJYIKU-SECBINFHSA-N -1 3 351.038 2.554 20 30 FFEDHM CCOC(=O)C[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(F)cc1 ZINC000299247102 511564805 /nfs/dbraw/zinc/56/48/05/511564805.db2.gz SNNAZYXLXRZEAK-MMXTWKRJSA-N -1 3 360.385 2.840 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000365772439 511646140 /nfs/dbraw/zinc/64/61/40/511646140.db2.gz ADBXYGHFZFAGDH-ZDUSSCGKSA-N -1 3 363.462 2.615 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000365772439 511646145 /nfs/dbraw/zinc/64/61/45/511646145.db2.gz ADBXYGHFZFAGDH-ZDUSSCGKSA-N -1 3 363.462 2.615 20 30 FFEDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000292733580 511702090 /nfs/dbraw/zinc/70/20/90/511702090.db2.gz GUNUFDKQQNAUEV-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OC(C)(C)C ZINC000326192138 511854036 /nfs/dbraw/zinc/85/40/36/511854036.db2.gz TWIONVNLNMGBMT-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM CN(C)S(=O)(=O)C[C@@H](/N=C/c1c([O-])ccc2ccccc21)C(F)(F)F ZINC000284942948 511939254 /nfs/dbraw/zinc/93/92/54/511939254.db2.gz CQDOGKVDUOLRPQ-UPWAIKHBSA-N -1 3 374.384 2.787 20 30 FFEDHM C#CCOc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000296933367 511955264 /nfs/dbraw/zinc/95/52/64/511955264.db2.gz ISRPHMBTQFFRPK-UHFFFAOYSA-N -1 3 363.417 2.537 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)nn1CCC#N ZINC000328991886 511962813 /nfs/dbraw/zinc/96/28/13/511962813.db2.gz IPLUBJBKVRJTTP-UHFFFAOYSA-N -1 3 365.503 2.808 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329080307 511978615 /nfs/dbraw/zinc/97/86/15/511978615.db2.gz CMZRREFEAYNBBA-SOUVJXGZSA-N -1 3 369.487 2.885 20 30 FFEDHM O=C([N-]c1nncn1-c1ccccc1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000329307718 512023864 /nfs/dbraw/zinc/02/38/64/512023864.db2.gz YLPOGNRAYORYQR-AWEZNQCLSA-N -1 3 357.439 2.557 20 30 FFEDHM CC(C)(C)c1nc(=NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)s[n-]1 ZINC000329346864 512030491 /nfs/dbraw/zinc/03/04/91/512030491.db2.gz VIXCDNPFRURKHN-CQSZACIVSA-N -1 3 359.499 2.858 20 30 FFEDHM C[C@@H]1C[C@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC(=O)N1 ZINC000329363161 512034662 /nfs/dbraw/zinc/03/46/62/512034662.db2.gz ZJCPMLDBHQFTPY-ZJUUUORDSA-N -1 3 369.418 2.609 20 30 FFEDHM C[C@@H](NC(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(C)(F)F ZINC000411578132 512699953 /nfs/dbraw/zinc/69/99/53/512699953.db2.gz RQGZAZXSOIVUET-LDWIPMOCSA-N -1 3 374.256 2.844 20 30 FFEDHM COc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000374882492 513053843 /nfs/dbraw/zinc/05/38/43/513053843.db2.gz QIHUGRIANNWEBH-UHFFFAOYSA-N -1 3 365.433 2.689 20 30 FFEDHM Cc1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000409545452 513119534 /nfs/dbraw/zinc/11/95/34/513119534.db2.gz YJYGOPVVBVNFHI-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000409581357 513122521 /nfs/dbraw/zinc/12/25/21/513122521.db2.gz KPYYLLWAHSBDGY-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000433888107 513177685 /nfs/dbraw/zinc/17/76/85/513177685.db2.gz NFMIHVGABALTCW-SSDOTTSWSA-N -1 3 371.178 2.797 20 30 FFEDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC000451106113 513527345 /nfs/dbraw/zinc/52/73/45/513527345.db2.gz FJCURGQJPVZVPJ-UHFFFAOYSA-N -1 3 360.435 2.969 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)s1 ZINC000435422706 513578288 /nfs/dbraw/zinc/57/82/88/513578288.db2.gz PJGRDEOOLFFHTN-UHFFFAOYSA-N -1 3 364.492 2.938 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000451202968 513587305 /nfs/dbraw/zinc/58/73/05/513587305.db2.gz OKVPCQFYJACGFF-UHFFFAOYSA-N -1 3 368.846 2.749 20 30 FFEDHM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435442802 513591029 /nfs/dbraw/zinc/59/10/29/513591029.db2.gz KMMNATNDSMSZNW-CYBMUJFWSA-N -1 3 350.465 2.982 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)c(Cl)c1 ZINC000447853248 513600235 /nfs/dbraw/zinc/60/02/35/513600235.db2.gz DUUHLGKSOUPKCX-UHFFFAOYSA-N -1 3 373.768 2.687 20 30 FFEDHM CCn1ncc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c(C)nc21 ZINC000442533630 513734047 /nfs/dbraw/zinc/73/40/47/513734047.db2.gz WDEGMGITCNWOFS-OAHLLOKOSA-N -1 3 363.425 2.568 20 30 FFEDHM N#CCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416520901 513815599 /nfs/dbraw/zinc/81/55/99/513815599.db2.gz HCBJUOHONDJYEY-UHFFFAOYSA-N -1 3 363.317 2.586 20 30 FFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1Cl ZINC000431183260 513848144 /nfs/dbraw/zinc/84/81/44/513848144.db2.gz OVORUAVUISXFQC-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416599634 513858480 /nfs/dbraw/zinc/85/84/80/513858480.db2.gz WOHXKMUIANBRDF-VXGBXAGGSA-N -1 3 361.236 2.880 20 30 FFEDHM CCOc1ccncc1S(=O)(=O)[N-][C@H]1CCCc2cc(C#N)ccc21 ZINC000416666448 513896821 /nfs/dbraw/zinc/89/68/21/513896821.db2.gz WVTLQRBGFIODMP-INIZCTEOSA-N -1 3 357.435 2.708 20 30 FFEDHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000443229679 513906848 /nfs/dbraw/zinc/90/68/48/513906848.db2.gz VHEJMQSAYKFSKJ-UHFFFAOYSA-N -1 3 357.819 2.856 20 30 FFEDHM COc1cc([C@@H](C#N)NC(=O)c2cccc(C)c2[O-])cc(OC)c1OC ZINC000436601158 513914401 /nfs/dbraw/zinc/91/44/01/513914401.db2.gz BUBQGSSQWXNEGF-CQSZACIVSA-N -1 3 356.378 2.721 20 30 FFEDHM C=CCCOCCCCC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436654481 513931952 /nfs/dbraw/zinc/93/19/52/513931952.db2.gz FKCOMRXQCGRKDN-UHFFFAOYSA-N -1 3 374.481 2.876 20 30 FFEDHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443389052 513956253 /nfs/dbraw/zinc/95/62/53/513956253.db2.gz QWWJBNYGUFWCAM-LLVKDONJSA-N -1 3 350.827 2.827 20 30 FFEDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000443385512 513956476 /nfs/dbraw/zinc/95/64/76/513956476.db2.gz KJVKYUFUEYKEFO-UHFFFAOYSA-N -1 3 362.426 2.962 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000443490716 513978596 /nfs/dbraw/zinc/97/85/96/513978596.db2.gz WPKMFTCTURPCIB-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM CO[C@](C)(C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000451829005 514008559 /nfs/dbraw/zinc/00/85/59/514008559.db2.gz SXWLCCLCPRDVOA-GOSISDBHSA-N -1 3 362.426 2.679 20 30 FFEDHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000451829006 514009641 /nfs/dbraw/zinc/00/96/41/514009641.db2.gz SXWLCCLCPRDVOA-SFHVURJKSA-N -1 3 362.426 2.679 20 30 FFEDHM N#Cc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1Br ZINC000416950987 514062896 /nfs/dbraw/zinc/06/28/96/514062896.db2.gz MOMACAUIUVBTNW-NSHDSACASA-N -1 3 359.245 2.632 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000451912166 514066358 /nfs/dbraw/zinc/06/63/58/514066358.db2.gz RXICMFZFUMPOOS-NEPJUHHUSA-N -1 3 353.337 2.856 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000416962349 514069738 /nfs/dbraw/zinc/06/97/38/514069738.db2.gz TXZJVRNCQACJAU-CQSZACIVSA-N -1 3 362.411 2.570 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1OCCN(C)C ZINC000414390475 514087763 /nfs/dbraw/zinc/08/77/63/514087763.db2.gz XRQKNRVABPIUJO-UHFFFAOYSA-N -1 3 359.451 2.608 20 30 FFEDHM Cc1cc(CNCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C#N ZINC000444000451 514095185 /nfs/dbraw/zinc/09/51/85/514095185.db2.gz DVDKOXSCTHOINH-UHFFFAOYSA-N -1 3 369.899 2.650 20 30 FFEDHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1 ZINC000451961830 514096940 /nfs/dbraw/zinc/09/69/40/514096940.db2.gz ULQPGAQRPODXPT-UHFFFAOYSA-N -1 3 373.356 2.996 20 30 FFEDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000420727576 514262997 /nfs/dbraw/zinc/26/29/97/514262997.db2.gz OSWVCWQZSFRYGZ-QWHCGFSZSA-N -1 3 373.272 2.557 20 30 FFEDHM CCc1cccc2c(CC[N-]S(=O)(=O)c3cccnc3C#N)c[nH]c21 ZINC000428407551 514468683 /nfs/dbraw/zinc/46/86/83/514468683.db2.gz INRAUDCUWWXDML-UHFFFAOYSA-N -1 3 354.435 2.518 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000489651982 514928807 /nfs/dbraw/zinc/92/88/07/514928807.db2.gz GIDJYYKNISFYEY-WMZOPIPTSA-N -1 3 365.495 2.924 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)c1 ZINC000476336122 515009092 /nfs/dbraw/zinc/00/90/92/515009092.db2.gz RWRAXONRHFCYNA-UHFFFAOYSA-N -1 3 373.821 2.944 20 30 FFEDHM N#CCCN(Cc1cccnc1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000485380243 515015269 /nfs/dbraw/zinc/01/52/69/515015269.db2.gz POCIXWMHGRMPBN-UHFFFAOYSA-N -1 3 368.343 2.757 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485381022 515015372 /nfs/dbraw/zinc/01/53/72/515015372.db2.gz FSFWDZSMGNONSL-UHFFFAOYSA-N -1 3 360.329 2.743 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000503442403 515034641 /nfs/dbraw/zinc/03/46/41/515034641.db2.gz LGSJCSRALFEDAD-UHFFFAOYSA-N -1 3 355.329 2.834 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000503442403 515034652 /nfs/dbraw/zinc/03/46/52/515034652.db2.gz LGSJCSRALFEDAD-UHFFFAOYSA-N -1 3 355.329 2.834 20 30 FFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000503442403 515034663 /nfs/dbraw/zinc/03/46/63/515034663.db2.gz LGSJCSRALFEDAD-UHFFFAOYSA-N -1 3 355.329 2.834 20 30 FFEDHM C=CCN(CC=C)[C@@H](CNC(=O)N=c1nc(SC)[n-]s1)C(C)C ZINC000476654960 515144519 /nfs/dbraw/zinc/14/45/19/515144519.db2.gz AAWNMFWWDHOYOE-LBPRGKRZSA-N -1 3 355.533 2.502 20 30 FFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000490621616 515264413 /nfs/dbraw/zinc/26/44/13/515264413.db2.gz RYJXWIOAKXZEOP-UHFFFAOYSA-N -1 3 353.831 2.939 20 30 FFEDHM Cn1c(CC#N)nnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000477050913 515303954 /nfs/dbraw/zinc/30/39/54/515303954.db2.gz SQTDJGSEYODADG-UHFFFAOYSA-N -1 3 352.379 2.568 20 30 FFEDHM C=CCCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000468395103 515339995 /nfs/dbraw/zinc/33/99/95/515339995.db2.gz XWDQCTRGSXRCGP-UHFFFAOYSA-N -1 3 370.521 2.984 20 30 FFEDHM CN(C)c1nc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc(=O)[n-]1 ZINC000463323541 515440761 /nfs/dbraw/zinc/44/07/61/515440761.db2.gz IUHUHYIWGRVESP-LLVKDONJSA-N -1 3 366.208 2.550 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1c(F)cncc1F ZINC000511036246 515753578 /nfs/dbraw/zinc/75/35/78/515753578.db2.gz VHZWVPJAJZTICG-MRVPVSSYSA-N -1 3 357.769 2.924 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1c(F)cncc1F ZINC000511044167 515755497 /nfs/dbraw/zinc/75/54/97/515755497.db2.gz OJAAPFAKIDZTBO-MRVPVSSYSA-N -1 3 357.769 2.924 20 30 FFEDHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccccc2CC#N)c1F ZINC000478694320 515929138 /nfs/dbraw/zinc/92/91/38/515929138.db2.gz IHNHKWNUFTUDQW-UHFFFAOYSA-N -1 3 366.345 2.618 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483540941 516125203 /nfs/dbraw/zinc/12/52/03/516125203.db2.gz INNOEHMHOHXDFF-UHFFFAOYSA-N -1 3 353.348 2.764 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483540941 516125210 /nfs/dbraw/zinc/12/52/10/516125210.db2.gz INNOEHMHOHXDFF-UHFFFAOYSA-N -1 3 353.348 2.764 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483540941 516125217 /nfs/dbraw/zinc/12/52/17/516125217.db2.gz INNOEHMHOHXDFF-UHFFFAOYSA-N -1 3 353.348 2.764 20 30 FFEDHM CCc1[n-][nH]c(=NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1C ZINC000497552592 516326127 /nfs/dbraw/zinc/32/61/27/516326127.db2.gz DQGBUURRSKCWKU-UHFFFAOYSA-N -1 3 355.417 2.568 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(N4CC[C@@H](C)C4)c3)nc1-2 ZINC000547488439 516369605 /nfs/dbraw/zinc/36/96/05/516369605.db2.gz HNLDSSHSFRIQAV-IUODEOHRSA-N -1 3 360.421 2.998 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000540216710 516479441 /nfs/dbraw/zinc/47/94/41/516479441.db2.gz BTLABMIRPAAGQH-OAHLLOKOSA-N -1 3 370.352 2.642 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000558135614 516609573 /nfs/dbraw/zinc/60/95/73/516609573.db2.gz RSCMFJIQUZKQBW-GFCCVEGCSA-N -1 3 368.256 2.968 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000561555621 516650875 /nfs/dbraw/zinc/65/08/75/516650875.db2.gz IEPZQVRRIXOODT-DYZYQPBXSA-N -1 3 364.373 2.778 20 30 FFEDHM Cc1nc(COc2cccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2)no1 ZINC000536205855 516675882 /nfs/dbraw/zinc/67/58/82/516675882.db2.gz YNJDGEROWHOVQS-INIZCTEOSA-N -1 3 363.377 2.854 20 30 FFEDHM N#Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Cl ZINC000540849456 516735005 /nfs/dbraw/zinc/73/50/05/516735005.db2.gz FMMJJKGSAJVTEE-UHFFFAOYSA-N -1 3 369.808 2.515 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000558483457 516771309 /nfs/dbraw/zinc/77/13/09/516771309.db2.gz RKDPYLBLOUXDAH-ZDUSSCGKSA-N -1 3 369.368 2.653 20 30 FFEDHM Cc1ccnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000555414571 516918437 /nfs/dbraw/zinc/91/84/37/516918437.db2.gz WMQPRMMGTPPHKM-UHFFFAOYSA-N -1 3 355.341 2.759 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000537018458 517004227 /nfs/dbraw/zinc/00/42/27/517004227.db2.gz BEIJFRUYGYJWGL-SECBINFHSA-N -1 3 368.680 2.565 20 30 FFEDHM CC(C)CCOCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000520073453 517268553 /nfs/dbraw/zinc/26/85/53/517268553.db2.gz JKEMIEYSMPIWFS-UHFFFAOYSA-N -1 3 364.389 2.918 20 30 FFEDHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000537743786 517321673 /nfs/dbraw/zinc/32/16/73/517321673.db2.gz TYDSZSLKUVLIDK-JQWIXIFHSA-N -1 3 362.373 2.670 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@@]1(C#N)CCc2ccccc2C1)c1ccccc1 ZINC000562706669 517322975 /nfs/dbraw/zinc/32/29/75/517322975.db2.gz BRBDZDBJHKYNJB-UXHICEINSA-N -1 3 370.474 2.745 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)c(F)c1 ZINC000537866689 517385960 /nfs/dbraw/zinc/38/59/60/517385960.db2.gz DQKZHDDSNJMLBQ-YJBOKZPZSA-N -1 3 360.410 2.753 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccncc2N(C)C)no1 ZINC000545844132 517390015 /nfs/dbraw/zinc/39/00/15/517390015.db2.gz DLSJABCERSSDDU-UHFFFAOYSA-N -1 3 364.409 2.572 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000549311662 517505072 /nfs/dbraw/zinc/50/50/72/517505072.db2.gz VDMGCLKGNLWEME-NSHDSACASA-N -1 3 357.439 2.895 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)c1C#N ZINC000527271576 517607955 /nfs/dbraw/zinc/60/79/55/517607955.db2.gz VGCXJZAMDHSAKR-CYBMUJFWSA-N -1 3 364.434 2.864 20 30 FFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000563432332 517901127 /nfs/dbraw/zinc/90/11/27/517901127.db2.gz SDQGXVAOHZKEMT-QMMMGPOBSA-N -1 3 352.225 2.840 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000539219640 517951144 /nfs/dbraw/zinc/95/11/44/517951144.db2.gz RUUGKOHPZGFOBT-NSHDSACASA-N -1 3 372.899 2.926 20 30 FFEDHM N#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000543309460 518016564 /nfs/dbraw/zinc/01/65/64/518016564.db2.gz YDXMUHPGGNOAGL-UHFFFAOYSA-N -1 3 361.398 2.660 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543396963 518068072 /nfs/dbraw/zinc/06/80/72/518068072.db2.gz QTTZXCJVGYCYTD-SECBINFHSA-N -1 3 368.680 2.565 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N(C)CCCN(C)Cc2ccco2)cc1C#N ZINC000563721192 518088504 /nfs/dbraw/zinc/08/85/04/518088504.db2.gz DHDFMMBTTULITD-UHFFFAOYSA-N -1 3 374.466 2.568 20 30 FFEDHM N#Cc1cnccc1[N-]C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000522717466 518154288 /nfs/dbraw/zinc/15/42/88/518154288.db2.gz AHAXCMFVJZYQPL-UHFFFAOYSA-N -1 3 351.347 2.659 20 30 FFEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]Cc1cc(-c2ccccc2)no1 ZINC000581342799 518238469 /nfs/dbraw/zinc/23/84/69/518238469.db2.gz IVVKZQADFIBNLL-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3cncc([O-])c3)ccc21 ZINC000569707738 518251402 /nfs/dbraw/zinc/25/14/02/518251402.db2.gz KLMIVOYJGOXDAL-UHFFFAOYSA-N -1 3 364.405 2.551 20 30 FFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000581439639 518286370 /nfs/dbraw/zinc/28/63/70/518286370.db2.gz BXYNVJPJWFKCBH-UHFFFAOYSA-N -1 3 352.225 2.841 20 30 FFEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000567601709 518607708 /nfs/dbraw/zinc/60/77/08/518607708.db2.gz OYBFJKJOKLLYSJ-CGTJXYLNSA-N -1 3 350.484 2.636 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000579322264 518623864 /nfs/dbraw/zinc/62/38/64/518623864.db2.gz LTESYWPKXQNBOD-LJQANCHMSA-N -1 3 359.495 2.954 20 30 FFEDHM N#C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCN1Cc1ccccc1 ZINC000577329271 519024131 /nfs/dbraw/zinc/02/41/31/519024131.db2.gz OPDFRRFOUPUEEK-OAHLLOKOSA-N -1 3 355.825 2.896 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000589976427 519116731 /nfs/dbraw/zinc/11/67/31/519116731.db2.gz HTYAONSGQABEFV-VIFPVBQESA-N -1 3 354.325 2.941 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)c(F)c1 ZINC000565767609 519122807 /nfs/dbraw/zinc/12/28/07/519122807.db2.gz DASSRCKZYQSQLK-NVXWUHKLSA-N -1 3 360.410 2.896 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H]1c1nc(=N)n(C)[n-]1 ZINC000577617733 519171140 /nfs/dbraw/zinc/17/11/40/519171140.db2.gz LYYRCAJQDREEPO-ZDUSSCGKSA-N -1 3 366.450 2.600 20 30 FFEDHM C=C(C)CN1CCC(Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000568766202 519205293 /nfs/dbraw/zinc/20/52/93/519205293.db2.gz FRAYXJFOYQHFDI-UHFFFAOYSA-N -1 3 360.483 2.881 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)CCC1 ZINC000571686686 519221251 /nfs/dbraw/zinc/22/12/51/519221251.db2.gz DQHYOPPZUGCVMA-GFCCVEGCSA-N -1 3 363.266 2.640 20 30 FFEDHM N#Cc1cccc(N2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)n1 ZINC000571847993 519306548 /nfs/dbraw/zinc/30/65/48/519306548.db2.gz MNUKZLSCWXVCNM-UHFFFAOYSA-N -1 3 362.355 3.000 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc2C1 ZINC000569028538 519338874 /nfs/dbraw/zinc/33/88/74/519338874.db2.gz FFGZZNRZEGUIBX-AWEZNQCLSA-N -1 3 366.801 2.633 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc2C1 ZINC000569028554 519338909 /nfs/dbraw/zinc/33/89/09/519338909.db2.gz FFGZZNRZEGUIBX-CQSZACIVSA-N -1 3 366.801 2.633 20 30 FFEDHM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccc(OC(F)F)c(F)c1 ZINC000569193834 519424274 /nfs/dbraw/zinc/42/42/74/519424274.db2.gz KIWUQLPQKPNEGV-UHFFFAOYSA-N -1 3 355.231 2.606 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2[nH]c(=O)oc21 ZINC000572086310 519433727 /nfs/dbraw/zinc/43/37/27/519433727.db2.gz BIWAMMIABMPSAT-UHFFFAOYSA-N -1 3 352.350 2.694 20 30 FFEDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(CC#N)cc2)o1 ZINC000581008950 519475730 /nfs/dbraw/zinc/47/57/30/519475730.db2.gz JTVZHQKVRNNESA-QGZVFWFLSA-N -1 3 362.451 2.715 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C)C1 ZINC000594766519 520143631 /nfs/dbraw/zinc/14/36/31/520143631.db2.gz CZXGDYYICSCHOA-GXFFZTMASA-N -1 3 350.465 2.927 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)C ZINC000594780619 520155185 /nfs/dbraw/zinc/15/51/85/520155185.db2.gz RWBODIJYJAAZHI-NSHDSACASA-N -1 3 366.464 2.700 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2cnn(C)c2SC)c(C#N)c1C ZINC000616903239 520221538 /nfs/dbraw/zinc/22/15/38/520221538.db2.gz YTFGLUDWWZRNMW-UHFFFAOYSA-N -1 3 364.452 2.813 20 30 FFEDHM N#Cc1cc(NCc2cc(=O)[n-]c(C3CCC3)n2)ncc1Br ZINC000603415583 520255023 /nfs/dbraw/zinc/25/50/23/520255023.db2.gz LLIDFLWPGBERNG-UHFFFAOYSA-N -1 3 360.215 2.513 20 30 FFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1nn(CC(F)(F)F)cc1Cl ZINC000603418663 520256319 /nfs/dbraw/zinc/25/63/19/520256319.db2.gz SJJWWZSQSSYZTA-UHFFFAOYSA-N -1 3 358.773 2.780 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000617039730 520298137 /nfs/dbraw/zinc/29/81/37/520298137.db2.gz KYDWCIUTUVXXLF-AUJRIZCKSA-N -1 3 355.438 2.606 20 30 FFEDHM CCO[C@@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)C1CC1 ZINC000600646526 520373404 /nfs/dbraw/zinc/37/34/04/520373404.db2.gz QMQDSBKYWZBGPZ-KRWDZBQOSA-N -1 3 352.456 2.926 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)OC2(CCCC2)C1 ZINC000592736162 520550304 /nfs/dbraw/zinc/55/03/04/520550304.db2.gz RXCAHRPRZOPAAO-CYBMUJFWSA-N -1 3 357.454 2.768 20 30 FFEDHM N#Cc1csc(CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000593009481 520681021 /nfs/dbraw/zinc/68/10/21/520681021.db2.gz CDTFVFPQIOHQED-LJQANCHMSA-N -1 3 355.463 2.829 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c(F)c1 ZINC000614080214 520788726 /nfs/dbraw/zinc/78/87/26/520788726.db2.gz HBCYYOZKRJDROB-BDJLRTHQSA-N -1 3 353.419 2.535 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000601443972 520789358 /nfs/dbraw/zinc/78/93/58/520789358.db2.gz MKQQRKUJXZOZHG-GFCCVEGCSA-N -1 3 370.356 2.656 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)CCC(C)(C)C#N)cc(Cl)c1F ZINC000593212065 520832241 /nfs/dbraw/zinc/83/22/41/520832241.db2.gz ZNZOHDLFVVIPFM-UHFFFAOYSA-N -1 3 362.810 2.947 20 30 FFEDHM Cc1nc([N-]C(=O)COC/C=C\c2ccccc2)n(-c2ccc(C#N)cc2)n1 ZINC000610793722 520845944 /nfs/dbraw/zinc/84/59/44/520845944.db2.gz RCNDKKKUXACEKV-YVMONPNESA-N -1 3 373.416 2.538 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000611015737 520947657 /nfs/dbraw/zinc/94/76/57/520947657.db2.gz ORZSQQQDJJXNSI-UHFFFAOYSA-N -1 3 359.426 2.776 20 30 FFEDHM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(F)cc3C#N)c2c1 ZINC000611023668 520950903 /nfs/dbraw/zinc/95/09/03/520950903.db2.gz RGZFIARRMIGELM-UHFFFAOYSA-N -1 3 373.409 2.708 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000611113773 520991495 /nfs/dbraw/zinc/99/14/95/520991495.db2.gz IQLDXEKDOVXKKB-NSHDSACASA-N -1 3 366.464 2.904 20 30 FFEDHM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593542088 521064644 /nfs/dbraw/zinc/06/46/44/521064644.db2.gz DYBCISRXEKJCJA-NSHDSACASA-N -1 3 366.464 2.546 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593571706 521083685 /nfs/dbraw/zinc/08/36/85/521083685.db2.gz HQRCYNSIQOKCLB-BONVTDFDSA-N -1 3 354.428 2.813 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593571709 521084081 /nfs/dbraw/zinc/08/40/81/521084081.db2.gz HQRCYNSIQOKCLB-MEBBXXQBSA-N -1 3 354.428 2.813 20 30 FFEDHM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)ccn1 ZINC000593572484 521085590 /nfs/dbraw/zinc/08/55/90/521085590.db2.gz JNAQFMLGFNZCHO-LLVKDONJSA-N -1 3 351.453 2.671 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000618716415 521196209 /nfs/dbraw/zinc/19/62/09/521196209.db2.gz LNSWDQLRWSRDRD-OAHLLOKOSA-N -1 3 352.337 2.941 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3c([O-])cccc3F)CC2)c1 ZINC000593886506 521272907 /nfs/dbraw/zinc/27/29/07/521272907.db2.gz OZAIJRYZYSLUBW-UHFFFAOYSA-N -1 3 353.397 2.797 20 30 FFEDHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3cccc(CC#N)c3)cccc21 ZINC000619463974 521582843 /nfs/dbraw/zinc/58/28/43/521582843.db2.gz OSFLFESMHJNPLP-SFHVURJKSA-N -1 3 371.462 2.939 20 30 FFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccnn1C ZINC000615947398 521585195 /nfs/dbraw/zinc/58/51/95/521585195.db2.gz WLPJLCMPFNUQLK-CYBMUJFWSA-N -1 3 366.874 2.663 20 30 FFEDHM COc1ccc(-c2nc([N-]C(=O)c3cc(C#N)oc3C)n[nH]2)cc1OC ZINC000619551277 521766458 /nfs/dbraw/zinc/76/64/58/521766458.db2.gz IJRBOKVOFLFTTG-UHFFFAOYSA-N -1 3 353.338 2.514 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cscc1Br ZINC000632414606 522077150 /nfs/dbraw/zinc/07/71/50/522077150.db2.gz DKMKKMDJFJQTGX-ZJUUUORDSA-N -1 3 352.275 2.523 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000626317540 522104080 /nfs/dbraw/zinc/10/40/80/522104080.db2.gz ZGMYEBRNCHIUQW-ZDUSSCGKSA-N -1 3 367.471 2.887 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cscc2Br)CCOCC1 ZINC000632555962 522161962 /nfs/dbraw/zinc/16/19/62/522161962.db2.gz WBJFEVPLROTNDX-UHFFFAOYSA-N -1 3 366.302 2.914 20 30 FFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473846027 538802706 /nfs/dbraw/zinc/80/27/06/538802706.db2.gz HNUHTDBHXFCWOL-INIZCTEOSA-N -1 3 356.430 2.560 20 30 FFEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cnn(C)c2C#N)[nH][n-]1 ZINC000479941537 561199914 /nfs/dbraw/zinc/19/99/14/561199914.db2.gz PAIOBYMQZKBBFS-UHFFFAOYSA-N -1 3 356.773 2.596 20 30 FFEDHM Cc1[n-][nH]c(=NC(=O)c2cc(C#N)ccn2)c1-c1ccc2c(c1)OCCO2 ZINC000501769418 561605165 /nfs/dbraw/zinc/60/51/65/561605165.db2.gz KMSPOBJTRYWWKW-UHFFFAOYSA-N -1 3 361.361 2.675 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCOc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000737716169 598925870 /nfs/dbraw/zinc/92/58/70/598925870.db2.gz LUBIXCIDYIPZCY-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCOc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000737716169 598925872 /nfs/dbraw/zinc/92/58/72/598925872.db2.gz LUBIXCIDYIPZCY-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)ccc1-c1nnn[n-]1 ZINC000737709224 598928904 /nfs/dbraw/zinc/92/89/04/598928904.db2.gz LPUFGZGAERJGCB-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)ccc1-c1nn[n-]n1 ZINC000737709224 598928906 /nfs/dbraw/zinc/92/89/06/598928906.db2.gz LPUFGZGAERJGCB-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnn(-c2ccccc2)c1 ZINC000819772220 607253510 /nfs/dbraw/zinc/25/35/10/607253510.db2.gz ARGQTHSUZZSFFB-UHFFFAOYSA-N -1 3 358.409 2.566 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2)c1 ZINC000819772220 607253511 /nfs/dbraw/zinc/25/35/11/607253511.db2.gz ARGQTHSUZZSFFB-UHFFFAOYSA-N -1 3 358.409 2.566 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)nc3)c2-c2nnn[n-]2)C1 ZINC000736278550 598979639 /nfs/dbraw/zinc/97/96/39/598979639.db2.gz GYRUXDJYMPBYAM-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)nc3)c2-c2nn[n-]n2)C1 ZINC000736278550 598979640 /nfs/dbraw/zinc/97/96/40/598979640.db2.gz GYRUXDJYMPBYAM-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736189750 599065331 /nfs/dbraw/zinc/06/53/31/599065331.db2.gz CGYRKNCXKWGEMX-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736189750 599065334 /nfs/dbraw/zinc/06/53/34/599065334.db2.gz CGYRKNCXKWGEMX-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1-n1cncn1 ZINC000822198704 599111315 /nfs/dbraw/zinc/11/13/15/599111315.db2.gz HDVGVLOLIKBGQY-VURMDHGXSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1-n1cncn1 ZINC000822198704 599111316 /nfs/dbraw/zinc/11/13/16/599111316.db2.gz HDVGVLOLIKBGQY-VURMDHGXSA-N -1 3 357.377 2.652 20 30 FFEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1C#N ZINC000821786193 599116256 /nfs/dbraw/zinc/11/62/56/599116256.db2.gz BJUIUBJDKINLFQ-ZSOIEALJSA-N -1 3 357.373 2.959 20 30 FFEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1C#N ZINC000821786193 599116259 /nfs/dbraw/zinc/11/62/59/599116259.db2.gz BJUIUBJDKINLFQ-ZSOIEALJSA-N -1 3 357.373 2.959 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000737066174 599149825 /nfs/dbraw/zinc/14/98/25/599149825.db2.gz QWBCUTGDAIXNLC-XBXARRHUSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000737066174 599149828 /nfs/dbraw/zinc/14/98/28/599149828.db2.gz QWBCUTGDAIXNLC-XBXARRHUSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CC2 ZINC000737113721 599156759 /nfs/dbraw/zinc/15/67/59/599156759.db2.gz FJKKULBZWGRBGG-JYRVWZFOSA-N -1 3 372.388 2.736 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CC2 ZINC000737113721 599156761 /nfs/dbraw/zinc/15/67/61/599156761.db2.gz FJKKULBZWGRBGG-JYRVWZFOSA-N -1 3 372.388 2.736 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2N2CCCCC2)ccc1-c1nnn[n-]1 ZINC000737707822 599192081 /nfs/dbraw/zinc/19/20/81/599192081.db2.gz BSBZBGLKMZXSSX-UHFFFAOYSA-N -1 3 373.420 2.981 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2N2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737707822 599192084 /nfs/dbraw/zinc/19/20/84/599192084.db2.gz BSBZBGLKMZXSSX-UHFFFAOYSA-N -1 3 373.420 2.981 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@H]2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737706734 599196040 /nfs/dbraw/zinc/19/60/40/599196040.db2.gz YMTPTSDHANYNKX-GFCCVEGCSA-N -1 3 360.377 2.633 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@H]2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737706734 599196042 /nfs/dbraw/zinc/19/60/42/599196042.db2.gz YMTPTSDHANYNKX-GFCCVEGCSA-N -1 3 360.377 2.633 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000737715866 599200383 /nfs/dbraw/zinc/20/03/83/599200383.db2.gz GACBGYXGMGGBEO-QWHCGFSZSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000737715866 599200385 /nfs/dbraw/zinc/20/03/85/599200385.db2.gz GACBGYXGMGGBEO-QWHCGFSZSA-N -1 3 366.331 2.759 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822015283 607287782 /nfs/dbraw/zinc/28/77/82/607287782.db2.gz GTWDDXSVUXJWPH-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822015283 607287783 /nfs/dbraw/zinc/28/77/83/607287783.db2.gz GTWDDXSVUXJWPH-UHFFFAOYSA-N -1 3 351.345 2.508 20 30 FFEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1csc(N)n1 ZINC000735450604 598313747 /nfs/dbraw/zinc/31/37/47/598313747.db2.gz BDJWBPCMAQZWOZ-UHFFFAOYSA-N -1 3 368.348 2.760 20 30 FFEDHM N#Cc1ccc(NC(=S)NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737719566 598320534 /nfs/dbraw/zinc/32/05/34/598320534.db2.gz SBBNXIGBPNRXBI-UHFFFAOYSA-N -1 3 369.841 2.878 20 30 FFEDHM N#Cc1ccc(NC(=S)NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737719566 598320536 /nfs/dbraw/zinc/32/05/36/598320536.db2.gz SBBNXIGBPNRXBI-UHFFFAOYSA-N -1 3 369.841 2.878 20 30 FFEDHM N#Cc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737719730 598320648 /nfs/dbraw/zinc/32/06/48/598320648.db2.gz VBWHPYBUNRGLRT-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1-c1nnn[n-]1 ZINC000822829830 607352990 /nfs/dbraw/zinc/35/29/90/607352990.db2.gz LICSUYTZUBEZCP-CYBMUJFWSA-N -1 3 350.407 2.858 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1-c1nn[n-]n1 ZINC000822829830 607352993 /nfs/dbraw/zinc/35/29/93/607352993.db2.gz LICSUYTZUBEZCP-CYBMUJFWSA-N -1 3 350.407 2.858 20 30 FFEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735390890 598451873 /nfs/dbraw/zinc/45/18/73/598451873.db2.gz HHUDSZGMXSEFRZ-UHFFFAOYSA-N -1 3 370.372 2.683 20 30 FFEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735390890 598451875 /nfs/dbraw/zinc/45/18/75/598451875.db2.gz HHUDSZGMXSEFRZ-UHFFFAOYSA-N -1 3 370.372 2.683 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737721281 598547108 /nfs/dbraw/zinc/54/71/08/598547108.db2.gz ILHPYGYOZYYGBJ-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737721281 598547110 /nfs/dbraw/zinc/54/71/10/598547110.db2.gz ILHPYGYOZYYGBJ-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1ccc(NCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc1 ZINC000737719044 598573921 /nfs/dbraw/zinc/57/39/21/598573921.db2.gz ONSRPARRNFVHBQ-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1ccc(NCCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc1 ZINC000737719044 598573923 /nfs/dbraw/zinc/57/39/23/598573923.db2.gz ONSRPARRNFVHBQ-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM C#Cc1cccc(N(C(=O)COc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735390281 598608437 /nfs/dbraw/zinc/60/84/37/598608437.db2.gz WTXHGPZYFRCZDJ-UHFFFAOYSA-N -1 3 361.405 2.668 20 30 FFEDHM C#Cc1cccc(N(C(=O)COc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735390281 598608439 /nfs/dbraw/zinc/60/84/39/598608439.db2.gz WTXHGPZYFRCZDJ-UHFFFAOYSA-N -1 3 361.405 2.668 20 30 FFEDHM N#CCOc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737694721 598647206 /nfs/dbraw/zinc/64/72/06/598647206.db2.gz DLLJKHQKLZGXKY-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM N#CCOc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737694721 598647209 /nfs/dbraw/zinc/64/72/09/598647209.db2.gz DLLJKHQKLZGXKY-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@@H]1CCCCO1 ZINC000735418124 598655562 /nfs/dbraw/zinc/65/55/62/598655562.db2.gz BFDJXTCGFWIJDM-KRWDZBQOSA-N -1 3 355.442 2.731 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@@H]1CCCCO1 ZINC000735418124 598655564 /nfs/dbraw/zinc/65/55/64/598655564.db2.gz BFDJXTCGFWIJDM-KRWDZBQOSA-N -1 3 355.442 2.731 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NOCc1ccccc1 ZINC000735420450 598726953 /nfs/dbraw/zinc/72/69/53/598726953.db2.gz POFXHKBTOGVIMT-UHFFFAOYSA-N -1 3 364.409 2.696 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NOCc1ccccc1 ZINC000735420450 598726955 /nfs/dbraw/zinc/72/69/55/598726955.db2.gz POFXHKBTOGVIMT-UHFFFAOYSA-N -1 3 364.409 2.696 20 30 FFEDHM Cc1cc(C(=O)NCCCCC#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233424 598755015 /nfs/dbraw/zinc/75/50/15/598755015.db2.gz COCZEPALYVYLRU-UHFFFAOYSA-N -1 3 363.425 2.698 20 30 FFEDHM C[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819844309 599549470 /nfs/dbraw/zinc/54/94/70/599549470.db2.gz BRIQSQDMJCNEOL-SNVBAGLBSA-N -1 3 352.329 2.896 20 30 FFEDHM C[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819844309 599549472 /nfs/dbraw/zinc/54/94/72/599549472.db2.gz BRIQSQDMJCNEOL-SNVBAGLBSA-N -1 3 352.329 2.896 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(CC#N)CC1 ZINC000820033295 599625946 /nfs/dbraw/zinc/62/59/46/599625946.db2.gz TZXHSRRZEGIYSC-HNNXBMFYSA-N -1 3 355.398 2.507 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1(CC#N)CC1 ZINC000820033295 599625947 /nfs/dbraw/zinc/62/59/47/599625947.db2.gz TZXHSRRZEGIYSC-HNNXBMFYSA-N -1 3 355.398 2.507 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819740159 599632664 /nfs/dbraw/zinc/63/26/64/599632664.db2.gz RQKCMPUTUOJVDT-SECBINFHSA-N -1 3 355.320 2.805 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819740159 599632665 /nfs/dbraw/zinc/63/26/65/599632665.db2.gz RQKCMPUTUOJVDT-SECBINFHSA-N -1 3 355.320 2.805 20 30 FFEDHM CC(C)CCN(CCC#N)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820076098 599639854 /nfs/dbraw/zinc/63/98/54/599639854.db2.gz AHBVZHMZHIVGCH-UHFFFAOYSA-N -1 3 366.429 2.678 20 30 FFEDHM CC(C)CCN(CCC#N)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820076098 599639855 /nfs/dbraw/zinc/63/98/55/599639855.db2.gz AHBVZHMZHIVGCH-UHFFFAOYSA-N -1 3 366.429 2.678 20 30 FFEDHM Cc1c(NC(=O)NC2(c3cccc(C#N)c3)CC2)cccc1-c1nnn[n-]1 ZINC000826241602 607396023 /nfs/dbraw/zinc/39/60/23/607396023.db2.gz IKBPHHKXSCVVDC-UHFFFAOYSA-N -1 3 359.393 2.858 20 30 FFEDHM Cc1c(NC(=O)NC2(c3cccc(C#N)c3)CC2)cccc1-c1nn[n-]n1 ZINC000826241602 607396025 /nfs/dbraw/zinc/39/60/25/607396025.db2.gz IKBPHHKXSCVVDC-UHFFFAOYSA-N -1 3 359.393 2.858 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=Cc1ccccc1C#N ZINC000821741708 607412290 /nfs/dbraw/zinc/41/22/90/607412290.db2.gz QPWLTOMTKAXUHN-VQHVLOKHSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=Cc1ccccc1C#N ZINC000821741708 607412291 /nfs/dbraw/zinc/41/22/91/607412291.db2.gz QPWLTOMTKAXUHN-VQHVLOKHSA-N -1 3 361.361 2.504 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821693040 607457672 /nfs/dbraw/zinc/45/76/72/607457672.db2.gz OTFJGKUHNRCOOE-RMKNXTFCSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821693040 607457674 /nfs/dbraw/zinc/45/76/74/607457674.db2.gz OTFJGKUHNRCOOE-RMKNXTFCSA-N -1 3 368.368 2.927 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000830109893 601236118 /nfs/dbraw/zinc/23/61/18/601236118.db2.gz QPJWCBWOMQGDCI-MGPQQGTHSA-N -1 3 358.394 2.624 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000830519399 601323672 /nfs/dbraw/zinc/32/36/72/601323672.db2.gz QXQNPKXSMGQKEC-CVEARBPZSA-N -1 3 359.426 2.625 20 30 FFEDHM CN(C(=O)[O-])[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000739586639 601966404 /nfs/dbraw/zinc/96/64/04/601966404.db2.gz SVXNBVXWJLROCV-CHWSQXEVSA-N -1 3 372.450 2.547 20 30 FFEDHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000821777649 606127719 /nfs/dbraw/zinc/12/77/19/606127719.db2.gz KFZMJECLFTZYGB-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000821777649 606127720 /nfs/dbraw/zinc/12/77/20/606127720.db2.gz KFZMJECLFTZYGB-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM O=C(Nc1ccccc1C#Cc1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823368502 606325829 /nfs/dbraw/zinc/32/58/29/606325829.db2.gz ZABMSYXIFOZPLA-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM O=C(Nc1ccccc1C#Cc1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823368502 606325832 /nfs/dbraw/zinc/32/58/32/606325832.db2.gz ZABMSYXIFOZPLA-UHFFFAOYSA-N -1 3 354.373 2.847 20 30 FFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821334933 606390236 /nfs/dbraw/zinc/39/02/36/606390236.db2.gz UHCKCZXQOJXGCI-CLFYSBASSA-N -1 3 368.418 2.930 20 30 FFEDHM N#C[C@@H](COC(=O)c1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)cc1 ZINC000822802237 606463573 /nfs/dbraw/zinc/46/35/73/606463573.db2.gz XQOQQKOZJJDIRR-NSHDSACASA-N -1 3 357.370 2.607 20 30 FFEDHM N#C[C@@H](COC(=O)c1cc(-c2nn[n-]n2)cs1)Cc1ccc(F)cc1 ZINC000822802237 606463575 /nfs/dbraw/zinc/46/35/75/606463575.db2.gz XQOQQKOZJJDIRR-NSHDSACASA-N -1 3 357.370 2.607 20 30 FFEDHM C#CCOc1ccc([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819710184 606464183 /nfs/dbraw/zinc/46/41/83/606464183.db2.gz YPXZRPIFFSGDHI-NSHDSACASA-N -1 3 354.391 2.858 20 30 FFEDHM C#CCOc1ccc([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819710184 606464184 /nfs/dbraw/zinc/46/41/84/606464184.db2.gz YPXZRPIFFSGDHI-NSHDSACASA-N -1 3 354.391 2.858 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(F)c(F)c1 ZINC000819742926 606674866 /nfs/dbraw/zinc/67/48/66/606674866.db2.gz BTTPVNATEPBQDN-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(F)c(F)c1 ZINC000819742926 606674867 /nfs/dbraw/zinc/67/48/67/606674867.db2.gz BTTPVNATEPBQDN-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM COc1ccsc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000821911080 606977218 /nfs/dbraw/zinc/97/72/18/606977218.db2.gz MNKQSLUFKKNBNY-AATRIKPKSA-N -1 3 355.423 2.889 20 30 FFEDHM COc1ccsc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000821911080 606977220 /nfs/dbraw/zinc/97/72/20/606977220.db2.gz MNKQSLUFKKNBNY-AATRIKPKSA-N -1 3 355.423 2.889 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1ccncc1 ZINC000819743779 607018168 /nfs/dbraw/zinc/01/81/68/607018168.db2.gz PVYUWBKWYGJBJT-OAHLLOKOSA-N -1 3 362.437 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1ccncc1 ZINC000819743779 607018170 /nfs/dbraw/zinc/01/81/70/607018170.db2.gz PVYUWBKWYGJBJT-OAHLLOKOSA-N -1 3 362.437 2.970 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000822221553 607030507 /nfs/dbraw/zinc/03/05/07/607030507.db2.gz UPIGLYBIWGPLDE-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000822221553 607030509 /nfs/dbraw/zinc/03/05/09/607030509.db2.gz UPIGLYBIWGPLDE-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000819773203 607035761 /nfs/dbraw/zinc/03/57/61/607035761.db2.gz RZIOLDFUUZHVGD-UHFFFAOYSA-N -1 3 361.409 2.933 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820004801 607246001 /nfs/dbraw/zinc/24/60/01/607246001.db2.gz CRZBENPAZOPKNG-UHFFFAOYSA-N -1 3 367.340 2.640 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820004801 607246002 /nfs/dbraw/zinc/24/60/02/607246002.db2.gz CRZBENPAZOPKNG-UHFFFAOYSA-N -1 3 367.340 2.640 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H](C)C(C)(C)C#N ZINC000826175804 607806987 /nfs/dbraw/zinc/80/69/87/607806987.db2.gz QXPXSIBUJOBDFI-LBPRGKRZSA-N -1 3 373.413 2.516 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H](C)C(C)(C)C#N ZINC000826175804 607806988 /nfs/dbraw/zinc/80/69/88/607806988.db2.gz QXPXSIBUJOBDFI-LBPRGKRZSA-N -1 3 373.413 2.516 20 30 FFEDHM C=CCc1cc(OC)cc(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000823936979 607846758 /nfs/dbraw/zinc/84/67/58/607846758.db2.gz CBYNMCHAWGYOIF-UHFFFAOYSA-N -1 3 351.410 2.946 20 30 FFEDHM N#CCc1ccc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826382885 607978930 /nfs/dbraw/zinc/97/89/30/607978930.db2.gz ZBEMYJIBESACPG-UHFFFAOYSA-N -1 3 363.377 2.559 20 30 FFEDHM COc1cccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826216685 608091881 /nfs/dbraw/zinc/09/18/81/608091881.db2.gz JTURZUXDKNXISY-UHFFFAOYSA-N -1 3 373.467 2.647 20 30 FFEDHM C=CCN(Cc1ncn(-c2ccccc2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914216 608203335 /nfs/dbraw/zinc/20/33/35/608203335.db2.gz DJZDSQLBWYQPLF-UHFFFAOYSA-N -1 3 372.436 2.636 20 30 FFEDHM C=CCN(Cc1ncn(-c2ccccc2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914216 608203337 /nfs/dbraw/zinc/20/33/37/608203337.db2.gz DJZDSQLBWYQPLF-UHFFFAOYSA-N -1 3 372.436 2.636 20 30 FFEDHM C#CCOc1ccccc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000823861734 608287147 /nfs/dbraw/zinc/28/71/47/608287147.db2.gz QGMCNGCRQVQTRN-UHFFFAOYSA-N -1 3 360.421 2.765 20 30 FFEDHM C#CCOc1ccccc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823861734 608287149 /nfs/dbraw/zinc/28/71/49/608287149.db2.gz QGMCNGCRQVQTRN-UHFFFAOYSA-N -1 3 360.421 2.765 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc3[nH]ccc3c2)cc1-c1nnn[n-]1 ZINC000826385248 608308472 /nfs/dbraw/zinc/30/84/72/608308472.db2.gz DBNGUUIWEBFEKO-KXFIGUGUSA-N -1 3 355.361 2.872 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC000826385248 608308474 /nfs/dbraw/zinc/30/84/74/608308474.db2.gz DBNGUUIWEBFEKO-KXFIGUGUSA-N -1 3 355.361 2.872 20 30 FFEDHM C#Cc1cccc(N(C)Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)c1 ZINC000823861311 608310975 /nfs/dbraw/zinc/31/09/75/608310975.db2.gz DHPRHDYEKOHZNQ-UHFFFAOYSA-N -1 3 369.432 2.979 20 30 FFEDHM N#Cc1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000826385720 608442714 /nfs/dbraw/zinc/44/27/14/608442714.db2.gz YAOHPCRPAMPGQF-UHFFFAOYSA-N -1 3 373.376 2.940 20 30 FFEDHM N#Cc1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000826385720 608442715 /nfs/dbraw/zinc/44/27/15/608442715.db2.gz YAOHPCRPAMPGQF-UHFFFAOYSA-N -1 3 373.376 2.940 20 30 FFEDHM C#C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000823838159 608454624 /nfs/dbraw/zinc/45/46/24/608454624.db2.gz KTUHQHGBPCUPLE-MRXNPFEDSA-N -1 3 361.361 2.623 20 30 FFEDHM C#C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000823838159 608454626 /nfs/dbraw/zinc/45/46/26/608454626.db2.gz KTUHQHGBPCUPLE-MRXNPFEDSA-N -1 3 361.361 2.623 20 30 FFEDHM N#Cc1cc(Cl)nc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000826383513 608536688 /nfs/dbraw/zinc/53/66/88/608536688.db2.gz DVLYCRVKDXBRFK-UHFFFAOYSA-N -1 3 363.772 2.714 20 30 FFEDHM N#Cc1cc(Cl)nc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000826383513 608536689 /nfs/dbraw/zinc/53/66/89/608536689.db2.gz DVLYCRVKDXBRFK-UHFFFAOYSA-N -1 3 363.772 2.714 20 30 FFEDHM N#Cc1cc(Cl)nc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826383564 608536714 /nfs/dbraw/zinc/53/67/14/608536714.db2.gz HASWQKNQVCMIKL-UHFFFAOYSA-N -1 3 364.800 2.939 20 30 FFEDHM N#Cc1cc(Cl)nc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826383564 608536715 /nfs/dbraw/zinc/53/67/15/608536715.db2.gz HASWQKNQVCMIKL-UHFFFAOYSA-N -1 3 364.800 2.939 20 30 FFEDHM C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824523389 608574477 /nfs/dbraw/zinc/57/44/77/608574477.db2.gz ZULVCUGPUPUDMO-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824523389 608574478 /nfs/dbraw/zinc/57/44/78/608574478.db2.gz ZULVCUGPUPUDMO-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C=CCN(Cc1cnc(N(C)C)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914638 608631872 /nfs/dbraw/zinc/63/18/72/608631872.db2.gz KMOHYYOEUAVXSY-UHFFFAOYSA-N -1 3 355.471 2.577 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2ccccc2-c2nnn[n-]2)n1 ZINC000826383280 609279172 /nfs/dbraw/zinc/27/91/72/609279172.db2.gz SHALDGHLWZRSNH-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2ccccc2-c2nn[n-]n2)n1 ZINC000826383280 609279174 /nfs/dbraw/zinc/27/91/74/609279174.db2.gz SHALDGHLWZRSNH-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM Cc1nnc(SCc2cn3ccccc3c2-c2nnn[n-]2)c(C#N)c1C ZINC000826337081 609306271 /nfs/dbraw/zinc/30/62/71/609306271.db2.gz BCILFXVFRKZXGE-UHFFFAOYSA-N -1 3 362.422 2.690 20 30 FFEDHM Cc1nnc(SCc2cn3ccccc3c2-c2nn[n-]n2)c(C#N)c1C ZINC000826337081 609306273 /nfs/dbraw/zinc/30/62/73/609306273.db2.gz BCILFXVFRKZXGE-UHFFFAOYSA-N -1 3 362.422 2.690 20 30 FFEDHM C#CCOc1ccccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823862043 609340615 /nfs/dbraw/zinc/34/06/15/609340615.db2.gz XLAMQPDHZMDIGN-CYBMUJFWSA-N -1 3 351.385 2.869 20 30 FFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000823878034 609370875 /nfs/dbraw/zinc/37/08/75/609370875.db2.gz MRFDBPXGGMWZFP-UHFFFAOYSA-N -1 3 371.489 2.847 20 30 FFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000823878034 609370877 /nfs/dbraw/zinc/37/08/77/609370877.db2.gz MRFDBPXGGMWZFP-UHFFFAOYSA-N -1 3 371.489 2.847 20 30 FFEDHM N#CCc1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826382624 609413635 /nfs/dbraw/zinc/41/36/35/609413635.db2.gz NLZFJEGUMANBRP-GOSISDBHSA-N -1 3 373.420 2.540 20 30 FFEDHM N#CCc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826382624 609413637 /nfs/dbraw/zinc/41/36/37/609413637.db2.gz NLZFJEGUMANBRP-GOSISDBHSA-N -1 3 373.420 2.540 20 30 FFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000823958106 609472517 /nfs/dbraw/zinc/47/25/17/609472517.db2.gz CCLLIFDGGFTZHU-UHFFFAOYSA-N -1 3 368.788 2.938 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000823958106 609472519 /nfs/dbraw/zinc/47/25/19/609472519.db2.gz CCLLIFDGGFTZHU-UHFFFAOYSA-N -1 3 368.788 2.938 20 30 FFEDHM Cn1cc(CNc2cccc(C#N)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361607 609473528 /nfs/dbraw/zinc/47/35/28/609473528.db2.gz FMBOUBHODKKJBH-UHFFFAOYSA-N -1 3 356.393 2.751 20 30 FFEDHM Cn1cc(CNc2cccc(C#N)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361607 609473530 /nfs/dbraw/zinc/47/35/30/609473530.db2.gz FMBOUBHODKKJBH-UHFFFAOYSA-N -1 3 356.393 2.751 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2ccc(C#N)o2)cc1-c1nnn[n-]1 ZINC000825553169 609490749 /nfs/dbraw/zinc/49/07/49/609490749.db2.gz KPCJKJRLSUSWNC-UHFFFAOYSA-N -1 3 353.342 2.512 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2ccc(C#N)o2)cc1-c1nn[n-]n1 ZINC000825553169 609490752 /nfs/dbraw/zinc/49/07/52/609490752.db2.gz KPCJKJRLSUSWNC-UHFFFAOYSA-N -1 3 353.342 2.512 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824034586 609511472 /nfs/dbraw/zinc/51/14/72/609511472.db2.gz LVTUABUYGNTHES-ZDUSSCGKSA-N -1 3 350.382 2.648 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824034586 609511473 /nfs/dbraw/zinc/51/14/73/609511473.db2.gz LVTUABUYGNTHES-ZDUSSCGKSA-N -1 3 350.382 2.648 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823894210 609611814 /nfs/dbraw/zinc/61/18/14/609611814.db2.gz KCLHJJGKOYWUHG-ZDUSSCGKSA-N -1 3 365.441 2.835 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823894210 609611815 /nfs/dbraw/zinc/61/18/15/609611815.db2.gz KCLHJJGKOYWUHG-ZDUSSCGKSA-N -1 3 365.441 2.835 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)ccc1F ZINC000045362266 728001429 /nfs/dbraw/zinc/00/14/29/728001429.db2.gz AHNMMOSPPDZRIH-XJKSGUPXSA-N -1 3 368.474 2.941 20 30 FFEDHM Cc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000113653228 728556202 /nfs/dbraw/zinc/55/62/02/728556202.db2.gz MKBORQWUGMEOBH-JTQLQIEISA-N -1 3 351.193 2.997 20 30 FFEDHM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000126476678 728703556 /nfs/dbraw/zinc/70/35/56/728703556.db2.gz ITLHSTMJOXAHKL-UHFFFAOYSA-N -1 3 360.410 2.688 20 30 FFEDHM C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000131606702 728722631 /nfs/dbraw/zinc/72/26/31/728722631.db2.gz YXBRFVFNPFNWAO-NSHDSACASA-N -1 3 362.382 2.987 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CCCC2)ccc1F ZINC000172096708 729019456 /nfs/dbraw/zinc/01/94/56/729019456.db2.gz KJHBOFNWLSZWQB-LBPRGKRZSA-N -1 3 354.447 2.599 20 30 FFEDHM N#CC[C@@H]([N-]S(=O)(=O)c1ccc2onc(Cl)c2c1)C(F)(F)F ZINC000901772901 735837049 /nfs/dbraw/zinc/83/70/49/735837049.db2.gz XAFYQCIBGIZDAF-SECBINFHSA-N -1 3 353.709 2.604 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1F ZINC000174332565 729069216 /nfs/dbraw/zinc/06/92/16/729069216.db2.gz IDZQDVLNNLLINP-CJNGLKHVSA-N -1 3 366.458 2.695 20 30 FFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000859425824 730454402 /nfs/dbraw/zinc/45/44/02/730454402.db2.gz LSBBCELPWHTPAZ-AWEZNQCLSA-N -1 3 350.465 2.517 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCOCC1 ZINC000657129611 731733550 /nfs/dbraw/zinc/73/35/50/731733550.db2.gz VMDXCJYPEFBIPT-UHFFFAOYSA-N -1 3 350.362 2.504 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000657150169 731739465 /nfs/dbraw/zinc/73/94/65/731739465.db2.gz SBFVSAVMLYSCBD-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@@H]1CCCN([O-])C1=O ZINC000878002038 732465450 /nfs/dbraw/zinc/46/54/50/732465450.db2.gz LFOSHFAZUDCHAU-CYBMUJFWSA-N -1 3 366.849 2.832 20 30 FFEDHM C[C@H](Oc1ccccc1NC(=O)N[C@@H]1CCCN([O-])C1=O)C(F)(F)F ZINC000879588456 732729683 /nfs/dbraw/zinc/72/96/83/732729683.db2.gz PMEUKFMNTKIPGP-GXSJLCMTSA-N -1 3 361.320 2.518 20 30 FFEDHM C=CCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000665944333 732776658 /nfs/dbraw/zinc/77/66/58/732776658.db2.gz LSHOMRJIYAJVNC-UHFFFAOYSA-N -1 3 351.834 2.982 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000882644935 733264122 /nfs/dbraw/zinc/26/41/22/733264122.db2.gz SLOBSXNEZBEJTM-BPCQOVAHSA-N -1 3 371.421 2.925 20 30 FFEDHM C[C@H](C(=O)[N-]CC(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674459568 733708998 /nfs/dbraw/zinc/70/89/98/733708998.db2.gz LYAKMUHJOZBOFY-VQVTYTSYSA-N -1 3 360.220 2.726 20 30 FFEDHM C[C@H](C(=O)[N-]CC(F)(F)F)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674459567 733709022 /nfs/dbraw/zinc/70/90/22/733709022.db2.gz LYAKMUHJOZBOFY-QYNIQEEDSA-N -1 3 360.220 2.726 20 30 FFEDHM CC(C)(C#N)CCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000782697213 738749430 /nfs/dbraw/zinc/74/94/30/738749430.db2.gz HDIVBGZDJHMVDD-UHFFFAOYSA-N -1 3 368.430 2.753 20 30 FFEDHM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc([O-])c(F)c1 ZINC000728429312 734527522 /nfs/dbraw/zinc/52/75/22/734527522.db2.gz CQPHKCRKZZGPPT-UHFFFAOYSA-N -1 3 363.414 2.808 20 30 FFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000735082289 734927875 /nfs/dbraw/zinc/92/78/75/734927875.db2.gz JQKNVUJRVKWLQX-MRVPVSSYSA-N -1 3 352.225 2.840 20 30 FFEDHM O=C(CCn1cc([N+](=O)[O-])cn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379733 735772259 /nfs/dbraw/zinc/77/22/59/735772259.db2.gz CZFDEZRUJPHROZ-UHFFFAOYSA-N -1 3 359.169 2.906 20 30 FFEDHM COc1cc(C)c(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)cc1Cl ZINC000901771138 735836592 /nfs/dbraw/zinc/83/65/92/735836592.db2.gz HZOCMOSYECJFAD-LLVKDONJSA-N -1 3 356.753 2.780 20 30 FFEDHM C[C@]1(CS(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)CC1(Cl)Cl ZINC000903115485 736033522 /nfs/dbraw/zinc/03/35/22/736033522.db2.gz BTYAPMCLRCKNSI-HUUCEWRRSA-N -1 3 373.305 2.941 20 30 FFEDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000906914220 736559199 /nfs/dbraw/zinc/55/91/99/736559199.db2.gz WUOWNYOOMROISI-NSHDSACASA-N -1 3 360.464 2.854 20 30 FFEDHM C=CC(C)(C)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000908466892 736781081 /nfs/dbraw/zinc/78/10/81/736781081.db2.gz TXOOUZSWVSYLAJ-OAQYLSRUSA-N -1 3 356.391 2.832 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750187 736825446 /nfs/dbraw/zinc/82/54/46/736825446.db2.gz BUVQFGVRGBMJPN-CHWSQXEVSA-N -1 3 371.890 2.780 20 30 FFEDHM C=CCC[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750369 736825952 /nfs/dbraw/zinc/82/59/52/736825952.db2.gz FCTRLHWETJCZTF-KGLIPLIRSA-N -1 3 351.472 2.604 20 30 FFEDHM C#C[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000769645272 737549503 /nfs/dbraw/zinc/54/95/03/737549503.db2.gz YAPIPOHGESJLDI-CYBMUJFWSA-N -1 3 360.410 2.720 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000773058842 737867207 /nfs/dbraw/zinc/86/72/07/737867207.db2.gz VDJWWXWEYHCGCY-NEPJUHHUSA-N -1 3 367.776 2.818 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2[C@H](c3ccccc3)C2(F)F)s1 ZINC000921647432 738017861 /nfs/dbraw/zinc/01/78/61/738017861.db2.gz LSLMKVJPLWCLOC-JSGCOSHPSA-N -1 3 354.403 2.947 20 30 FFEDHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000775935315 738144613 /nfs/dbraw/zinc/14/46/13/738144613.db2.gz KCIZFRBZMDESJT-LLVKDONJSA-N -1 3 350.802 2.934 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776014159 738152276 /nfs/dbraw/zinc/15/22/76/738152276.db2.gz HNUWXQHCSBQIRI-STQMWFEESA-N -1 3 373.906 2.653 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C1CC1 ZINC000786983472 739095172 /nfs/dbraw/zinc/09/51/72/739095172.db2.gz GBITWJUARPYMFC-SWLSCSKDSA-N -1 3 364.467 2.626 20 30 FFEDHM COc1cc(C=NNc2cccc(F)c2[N+](=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000790306618 739436029 /nfs/dbraw/zinc/43/60/29/739436029.db2.gz LRBUIPYODPYOKS-UHFFFAOYSA-N -1 3 350.262 2.802 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)c(Cl)c2)cc1 ZINC000793125178 739741941 /nfs/dbraw/zinc/74/19/41/739741941.db2.gz MVBUZOHNSNCMKO-ZDUSSCGKSA-N -1 3 359.769 2.713 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1 ZINC000795568734 740038731 /nfs/dbraw/zinc/03/87/31/740038731.db2.gz QPQDWNPHUIZAAJ-INIZCTEOSA-N -1 3 356.419 2.609 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000796097778 740101265 /nfs/dbraw/zinc/10/12/65/740101265.db2.gz WCGIHOCSUMGJRT-CQSZACIVSA-N -1 3 362.382 2.647 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(C)C ZINC000798473016 740336023 /nfs/dbraw/zinc/33/60/23/740336023.db2.gz YJRIYCJPNQEGCL-NSHDSACASA-N -1 3 364.236 2.533 20 30 FFEDHM CC(C)C[C@H](C)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000798628451 740349070 /nfs/dbraw/zinc/34/90/70/740349070.db2.gz WZISOMGXFVABGH-KBPBESRZSA-N -1 3 366.483 2.729 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccsc2)ccc1F ZINC000801016099 740577995 /nfs/dbraw/zinc/57/79/95/740577995.db2.gz QVOJEAUUPBBGAV-LLVKDONJSA-N -1 3 368.455 2.843 20 30 FFEDHM O=S(=O)(c1ccccc1)N1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000806552199 741069206 /nfs/dbraw/zinc/06/92/06/741069206.db2.gz QPFPICRVZUNXGM-VUQQOUJSSA-N -1 3 364.854 2.928 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1COc2c1cccc2Cl ZINC000814859091 741870502 /nfs/dbraw/zinc/87/05/02/741870502.db2.gz MYFQAGWQLLBVBJ-UHFFFAOYSA-N -1 3 350.827 2.599 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000816507477 742036583 /nfs/dbraw/zinc/03/65/83/742036583.db2.gz HXGDRPMYVQGVGL-GFCCVEGCSA-N -1 3 373.197 2.882 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000816569846 742043327 /nfs/dbraw/zinc/04/33/27/742043327.db2.gz YEZZWIWOTVWORO-GXFFZTMASA-N -1 3 353.369 2.519 20 30 FFEDHM O=C(CCCOc1ccc(Cl)cc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000816754483 742058955 /nfs/dbraw/zinc/05/89/55/742058955.db2.gz FZJGSDHVOSMQMU-LBPRGKRZSA-N -1 3 361.225 2.649 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000820138309 742466758 /nfs/dbraw/zinc/46/67/58/742466758.db2.gz YKVPWTBZMSWRAS-LLVKDONJSA-N -1 3 354.284 2.685 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000820179563 742471221 /nfs/dbraw/zinc/47/12/21/742471221.db2.gz MIQSYXYUNVHODQ-HOTGVXAUSA-N -1 3 360.797 2.566 20 30 FFEDHM CCOc1cc(/C=C\C(=O)c2cc(CO)on2)cc(Br)c1[O-] ZINC000821012720 742577505 /nfs/dbraw/zinc/57/75/05/742577505.db2.gz NIIXRKZGNGRGAZ-ARJAWSKDSA-N -1 3 368.183 2.930 20 30 FFEDHM C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001041756676 743056710 /nfs/dbraw/zinc/05/67/10/743056710.db2.gz IDPKDWHBJDKOEU-BXKDBHETSA-N -1 3 362.842 2.628 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)OCCC2(C#N)CCCCC2)ccc1F ZINC000840272280 747053081 /nfs/dbraw/zinc/05/30/81/747053081.db2.gz MNAAAQHSKJAIHB-UHFFFAOYSA-N -1 3 368.430 2.755 20 30 FFEDHM N#CC(C(=O)C=C[C@H]1CCOC1)=C([O-])c1sccc1Br ZINC000845844640 748336056 /nfs/dbraw/zinc/33/60/56/748336056.db2.gz JTUPOKSZAJUYRH-YBNRLKPGSA-N -1 3 354.225 2.995 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000848131009 748850504 /nfs/dbraw/zinc/85/05/04/748850504.db2.gz WVMJCEVKDQHTMM-LLVKDONJSA-N -1 3 351.815 2.574 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(F)(F)Br ZINC000851283425 749553601 /nfs/dbraw/zinc/55/36/01/749553601.db2.gz DCDAYLUXWQBGQS-UHFFFAOYSA-N -1 3 363.158 2.739 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCC[C@H]1Cc1ccccn1 ZINC000853312938 750047313 /nfs/dbraw/zinc/04/73/13/750047313.db2.gz JLJNABPVKGIVFJ-KRWDZBQOSA-N -1 3 357.479 2.942 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000056411353 845358500 /nfs/dbraw/zinc/35/85/00/845358500.db2.gz PGWDEWRHZKTOGD-GFCCVEGCSA-N -1 3 369.462 2.524 20 30 FFEDHM C=CCCC1(CNC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1 ZINC000895659977 970818383 /nfs/dbraw/zinc/81/83/83/970818383.db2.gz GKDUJRKTMZZSAN-OAHLLOKOSA-N -1 3 359.474 2.587 20 30 FFEDHM C#Cc1cccc(N(C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735391046 944644937 /nfs/dbraw/zinc/64/49/37/944644937.db2.gz KQFZQJCAQMVANZ-UHFFFAOYSA-N -1 3 366.812 2.576 20 30 FFEDHM C#Cc1cccc(N(C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735391046 944644945 /nfs/dbraw/zinc/64/49/45/944644945.db2.gz KQFZQJCAQMVANZ-UHFFFAOYSA-N -1 3 366.812 2.576 20 30 FFEDHM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC000735942247 944728570 /nfs/dbraw/zinc/72/85/70/944728570.db2.gz GGCGTOQAEPQURW-UHFFFAOYSA-N -1 3 368.788 2.557 20 30 FFEDHM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC000735942247 944728575 /nfs/dbraw/zinc/72/85/75/944728575.db2.gz GGCGTOQAEPQURW-UHFFFAOYSA-N -1 3 368.788 2.557 20 30 FFEDHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736772535 944888757 /nfs/dbraw/zinc/88/87/57/944888757.db2.gz FGPJCZAKXBWFCW-AEFFLSMTSA-N -1 3 373.420 2.547 20 30 FFEDHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736772535 944888768 /nfs/dbraw/zinc/88/87/68/944888768.db2.gz FGPJCZAKXBWFCW-AEFFLSMTSA-N -1 3 373.420 2.547 20 30 FFEDHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736772541 944888909 /nfs/dbraw/zinc/88/89/09/944888909.db2.gz FGPJCZAKXBWFCW-WMZOPIPTSA-N -1 3 373.420 2.547 20 30 FFEDHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736772541 944888915 /nfs/dbraw/zinc/88/89/15/944888915.db2.gz FGPJCZAKXBWFCW-WMZOPIPTSA-N -1 3 373.420 2.547 20 30 FFEDHM C#CCN(C(=O)c1cccc(-c2nnn[n-]2)c1Br)C(C)(C)C ZINC001573282136 946686424 /nfs/dbraw/zinc/68/64/24/946686424.db2.gz FWOZGYFNTWPZQM-UHFFFAOYSA-N -1 3 362.231 2.503 20 30 FFEDHM C#CCN(C(=O)c1cccc(-c2nn[n-]n2)c1Br)C(C)(C)C ZINC001573282136 946686429 /nfs/dbraw/zinc/68/64/29/946686429.db2.gz FWOZGYFNTWPZQM-UHFFFAOYSA-N -1 3 362.231 2.503 20 30 FFEDHM C#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC001573290265 946901305 /nfs/dbraw/zinc/90/13/05/946901305.db2.gz IJSURYLHUUHYNZ-UHFFFAOYSA-N -1 3 352.785 2.823 20 30 FFEDHM C#Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC001573290265 946901315 /nfs/dbraw/zinc/90/13/15/946901315.db2.gz IJSURYLHUUHYNZ-UHFFFAOYSA-N -1 3 352.785 2.823 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000824739333 946921590 /nfs/dbraw/zinc/92/15/90/946921590.db2.gz WFRCHUBFPJXOMN-MLGOLLRUSA-N -1 3 355.398 2.650 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573293526 946960609 /nfs/dbraw/zinc/96/06/09/946960609.db2.gz ZELSPOROODJGJH-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573293526 946960613 /nfs/dbraw/zinc/96/06/13/946960613.db2.gz ZELSPOROODJGJH-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825113593 947081336 /nfs/dbraw/zinc/08/13/36/947081336.db2.gz CGPJQAOHWRFVTG-UHFFFAOYSA-N -1 3 364.413 2.857 20 30 FFEDHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825113593 947081344 /nfs/dbraw/zinc/08/13/44/947081344.db2.gz CGPJQAOHWRFVTG-UHFFFAOYSA-N -1 3 364.413 2.857 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001573316771 947282987 /nfs/dbraw/zinc/28/29/87/947282987.db2.gz ZEPFNMNPRWMEKK-NFAWXSAZSA-N -1 3 372.448 2.692 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001573316771 947282999 /nfs/dbraw/zinc/28/29/99/947282999.db2.gz ZEPFNMNPRWMEKK-NFAWXSAZSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC[C@H](NC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)c1ccncc1 ZINC001573326907 947379560 /nfs/dbraw/zinc/37/95/60/947379560.db2.gz YHLGHZWTGMHNDX-INIZCTEOSA-N -1 3 359.393 2.790 20 30 FFEDHM C=CC[C@H](NC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)c1ccncc1 ZINC001573326907 947379572 /nfs/dbraw/zinc/37/95/72/947379572.db2.gz YHLGHZWTGMHNDX-INIZCTEOSA-N -1 3 359.393 2.790 20 30 FFEDHM C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC001573334073 947447442 /nfs/dbraw/zinc/44/74/42/947447442.db2.gz JICUQIUMPKSBMD-LBPRGKRZSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C)[C@H]1C ZINC001573348758 947587434 /nfs/dbraw/zinc/58/74/34/947587434.db2.gz VDXVXJSXEOJPEM-QWHCGFSZSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C)[C@H]1C ZINC001573348758 947587440 /nfs/dbraw/zinc/58/74/40/947587440.db2.gz VDXVXJSXEOJPEM-QWHCGFSZSA-N -1 3 350.430 2.546 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC001594367536 958502343 /nfs/dbraw/zinc/50/23/43/958502343.db2.gz UIEJOQWZVGFHLD-BQFCYCMXSA-N -1 3 357.454 2.673 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1cc(F)ccc1F ZINC000007673945 1013197368 /nfs/dbraw/zinc/19/73/68/1013197368.db2.gz DLPLWUXCDKYREL-UHFFFAOYSA-N -1 3 374.343 2.500 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000891339786 963296369 /nfs/dbraw/zinc/29/63/69/963296369.db2.gz OHIGQGKKXUKBML-IRXDYDNUSA-N -1 3 371.481 2.874 20 30 FFEDHM CCCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1C ZINC000121990580 967087037 /nfs/dbraw/zinc/08/70/37/967087037.db2.gz NINOSTDUZDDDQT-CQSZACIVSA-N -1 3 354.410 2.961 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)nn1 ZINC001126003665 973078029 /nfs/dbraw/zinc/07/80/29/973078029.db2.gz FJAOAABESIKDRA-UHFFFAOYSA-N -1 3 358.402 2.688 20 30 FFEDHM N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)cc1F ZINC001075563470 973754541 /nfs/dbraw/zinc/75/45/41/973754541.db2.gz VDIQEUYJZPTGRB-QFBILLFUSA-N -1 3 365.408 2.749 20 30 FFEDHM N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)c(F)c1 ZINC001075564057 973912944 /nfs/dbraw/zinc/91/29/44/973912944.db2.gz ACVRLBQASYFJAH-QFBILLFUSA-N -1 3 365.408 2.749 20 30 FFEDHM CC1(C)CNC(=O)c2c(C(=O)[N-]c3cc(C#N)c(F)cc3F)coc2C1 ZINC000876350693 1014235315 /nfs/dbraw/zinc/23/53/15/1014235315.db2.gz KPFCOMCUBGJDMG-UHFFFAOYSA-N -1 3 359.332 2.994 20 30 FFEDHM C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001087461977 978089199 /nfs/dbraw/zinc/08/91/99/978089199.db2.gz KVHPCBYNIQABJF-IEBWSBKVSA-N -1 3 352.409 2.752 20 30 FFEDHM C=C1CCC(C(=O)N[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)[C@@H]2C)CC1 ZINC001088838416 980332841 /nfs/dbraw/zinc/33/28/41/980332841.db2.gz IAHIGQKWZYBSDP-KDOFPFPSSA-N -1 3 370.497 2.885 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3ccccc3)nn2)c1 ZINC000127642022 980794728 /nfs/dbraw/zinc/79/47/28/980794728.db2.gz TVPAVAPIDZMBMU-KRWDZBQOSA-N -1 3 359.389 2.596 20 30 FFEDHM CC[C@H](C#N)Oc1cc(CNCc2cc(C(=O)[O-])n(C)c2)ccc1OC ZINC001594724767 987222641 /nfs/dbraw/zinc/22/26/41/987222641.db2.gz CKXLSTBABRWAME-OAHLLOKOSA-N -1 3 357.410 2.703 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCN1C(=O)OC(C)(C)C ZINC000763253553 989315047 /nfs/dbraw/zinc/31/50/47/989315047.db2.gz PJKRAKZXCJMQSX-UHFFFAOYSA-N -1 3 374.441 2.593 20 30 FFEDHM COC(=O)c1cc(C(=O)[N-]c2nc(-c3cccc(C#N)c3)cs2)no1 ZINC001127416428 989902883 /nfs/dbraw/zinc/90/28/83/989902883.db2.gz HMLZLRQVOQZTEJ-UHFFFAOYSA-N -1 3 354.347 2.709 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@H]2CC)ccc1F ZINC001129079236 990395118 /nfs/dbraw/zinc/39/51/18/990395118.db2.gz LGFRHJNJQILIDV-UKRRQHHQSA-N -1 3 368.474 2.846 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1nc(C2CC2)no1 ZINC000919009697 990553183 /nfs/dbraw/zinc/55/31/83/990553183.db2.gz PKNZDUSALWULPO-NSHDSACASA-N -1 3 356.382 2.773 20 30 FFEDHM Cc1cc(N2CCCCCC2)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879543449 1015582536 /nfs/dbraw/zinc/58/25/36/1015582536.db2.gz UTPYPFVGRRDLRA-KRWDZBQOSA-N -1 3 360.458 2.877 20 30 FFEDHM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1 ZINC000175116698 991158878 /nfs/dbraw/zinc/15/88/78/991158878.db2.gz KHLJZAZKZZNMQI-HNNXBMFYSA-N -1 3 353.378 2.559 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C(C)(C)C)nc2)cc1 ZINC000808978769 994346676 /nfs/dbraw/zinc/34/66/76/994346676.db2.gz AUQQHXYXIPDELE-OAHLLOKOSA-N -1 3 352.394 2.744 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]C(=O)C(F)(F)c1cccc(OC)c1)C(=O)OCC ZINC001132417863 994894902 /nfs/dbraw/zinc/89/49/02/994894902.db2.gz GQCLXMIUKQUWKH-CYBMUJFWSA-N -1 3 361.772 2.978 20 30 FFEDHM O=C(c1ccccc1[O-])N1C[C@H]2CCN(CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084196225 996329529 /nfs/dbraw/zinc/32/95/29/996329529.db2.gz BMJCELAMFANKJS-YLJYHZDGSA-N -1 3 364.420 2.729 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000826729952 1016041360 /nfs/dbraw/zinc/04/13/60/1016041360.db2.gz LABCQBYYPVIFNO-LJQANCHMSA-N -1 3 364.449 2.511 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@H](CC(N)=O)c2ccc(Cl)cc2)ccc1[O-] ZINC001143786078 997668047 /nfs/dbraw/zinc/66/80/47/997668047.db2.gz KDCLNPJGMFGHJH-LBPRGKRZSA-N -1 3 357.797 2.905 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(COC3CCOCC3)c2)c1[O-] ZINC000731936881 998362206 /nfs/dbraw/zinc/36/22/06/998362206.db2.gz BMWTVKUFUKNNKR-UUYOSTAYSA-N -1 3 370.449 2.903 20 30 FFEDHM C=CCNC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1cccc(C)c1 ZINC000732178132 998526953 /nfs/dbraw/zinc/52/69/53/998526953.db2.gz YETRWMFYJRJSEU-UHFFFAOYSA-O -1 3 369.470 2.572 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC)nn2)cc1 ZINC000766624102 1000031980 /nfs/dbraw/zinc/03/19/80/1000031980.db2.gz ZVJJTAHXGAVZGK-INIZCTEOSA-N -1 3 353.426 2.992 20 30 FFEDHM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000846333017 1000272393 /nfs/dbraw/zinc/27/23/93/1000272393.db2.gz JMGSVXHNGPAZDM-LJQANCHMSA-N -1 3 356.397 2.918 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@](C)(O)c1ccccc1 ZINC000846423684 1000300975 /nfs/dbraw/zinc/30/09/75/1000300975.db2.gz YONXMVZIGJXGSX-VFNWGFHPSA-N -1 3 367.449 2.621 20 30 FFEDHM N#Cc1ccc(CC2CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)cc1 ZINC001148584645 1001175872 /nfs/dbraw/zinc/17/58/72/1001175872.db2.gz XLWZYUHRNLIJHA-UHFFFAOYSA-N -1 3 352.390 2.770 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)c(OC(F)(F)F)c1 ZINC001148587770 1001176659 /nfs/dbraw/zinc/17/66/59/1001176659.db2.gz LZBBUFQQMQMFKP-UHFFFAOYSA-N -1 3 354.240 2.826 20 30 FFEDHM CCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c([O-])c1 ZINC000787116115 1001663637 /nfs/dbraw/zinc/66/36/37/1001663637.db2.gz ROQSYXCIALDLPG-CQSZACIVSA-N -1 3 359.426 2.540 20 30 FFEDHM CCc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c([O-])c1 ZINC000787116112 1001663772 /nfs/dbraw/zinc/66/37/72/1001663772.db2.gz ROQSYXCIALDLPG-AWEZNQCLSA-N -1 3 359.426 2.540 20 30 FFEDHM N#Cc1cccc(CNC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787842830 1001723465 /nfs/dbraw/zinc/72/34/65/1001723465.db2.gz CRSWODRPLOJSLB-UHFFFAOYSA-N -1 3 370.380 2.585 20 30 FFEDHM C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001186853817 1003433890 /nfs/dbraw/zinc/43/38/90/1003433890.db2.gz GPJJBRKLYRJALP-HTQZYQBOSA-N -1 3 351.819 2.844 20 30 FFEDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1nc(Cl)c(C#N)s1 ZINC001186853446 1003440894 /nfs/dbraw/zinc/44/08/94/1003440894.db2.gz CSXPCYVYJRPASR-SFYZADRCSA-N -1 3 351.819 2.844 20 30 FFEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)NCC(F)(F)F ZINC001317909957 1045168429 /nfs/dbraw/zinc/16/84/29/1045168429.db2.gz FXDBWUAQZUDORC-RDVRTXJUSA-N -1 3 353.138 2.641 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000804453377 1003668689 /nfs/dbraw/zinc/66/86/89/1003668689.db2.gz XDCYQJNKKJNYBA-SFHVURJKSA-N -1 3 364.445 2.571 20 30 FFEDHM O=S(=O)([N-]CCCCCCS)c1cccc(Br)n1 ZINC001196340942 1003746024 /nfs/dbraw/zinc/74/60/24/1003746024.db2.gz IVRIYPHGNXMGIX-UHFFFAOYSA-N -1 3 353.307 2.613 20 30 FFEDHM COc1c(F)ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1F ZINC001196701583 1003919106 /nfs/dbraw/zinc/91/91/06/1003919106.db2.gz ADWQWHGNSGWUOS-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM COc1cc(C#N)ccc1OCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000805389067 1004005962 /nfs/dbraw/zinc/00/59/62/1004005962.db2.gz PNMTWNWCOLFXQR-UHFFFAOYSA-N -1 3 353.334 2.786 20 30 FFEDHM COc1cc(C#N)ccc1OCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000805389067 1004005972 /nfs/dbraw/zinc/00/59/72/1004005972.db2.gz PNMTWNWCOLFXQR-UHFFFAOYSA-N -1 3 353.334 2.786 20 30 FFEDHM COc1cc([O-])ccc1C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC001197182011 1004096988 /nfs/dbraw/zinc/09/69/88/1004096988.db2.gz XUWGTDBIWXHZEQ-UHFFFAOYSA-N -1 3 357.749 2.660 20 30 FFEDHM N#Cc1ccnc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000807108607 1004510843 /nfs/dbraw/zinc/51/08/43/1004510843.db2.gz ZWIYYYFRIZZXGV-MRXNPFEDSA-N -1 3 370.840 2.707 20 30 FFEDHM C#CC1([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CCCC1 ZINC001194066108 1004644316 /nfs/dbraw/zinc/64/43/16/1004644316.db2.gz CUQXJTSWPNHHFU-UHFFFAOYSA-N -1 3 361.872 2.721 20 30 FFEDHM C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(-c2ccc(F)cc2)no1 ZINC000747459451 1004756065 /nfs/dbraw/zinc/75/60/65/1004756065.db2.gz SGBLUOXFFVPYPC-SNVBAGLBSA-N -1 3 372.381 2.675 20 30 FFEDHM N#CC1(NC(=O)c2cc([O-])cnc2Cl)CCN(Cc2ccccc2)CC1 ZINC001195312855 1004939621 /nfs/dbraw/zinc/93/96/21/1004939621.db2.gz LQUGKHQRHAIHQF-UHFFFAOYSA-N -1 3 370.840 2.729 20 30 FFEDHM CN(C(=O)COC(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000776274893 1005340472 /nfs/dbraw/zinc/34/04/72/1005340472.db2.gz PTVICJZJMXFVPM-LJQANCHMSA-N -1 3 364.401 2.957 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000776279409 1005345260 /nfs/dbraw/zinc/34/52/60/1005345260.db2.gz JIJKEIPSFZDXIR-GFCCVEGCSA-N -1 3 356.353 2.607 20 30 FFEDHM CNC(=O)Oc1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000851277860 1005872790 /nfs/dbraw/zinc/87/27/90/1005872790.db2.gz CRTCHKWAYPJPTJ-UHFFFAOYSA-N -1 3 369.377 2.532 20 30 FFEDHM Cc1nc(C)c(CCC(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)c(=O)[n-]1 ZINC001134922924 1006546445 /nfs/dbraw/zinc/54/64/45/1006546445.db2.gz GJFCGOJSFQJAGW-LLVKDONJSA-N -1 3 365.437 2.762 20 30 FFEDHM CC(C)(C)C(=O)Nc1ncccc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001189207441 1006948015 /nfs/dbraw/zinc/94/80/15/1006948015.db2.gz ASMLYZYNDRITJG-UHFFFAOYSA-N -1 3 355.398 2.505 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccccn3)c[nH]c2=O)c1 ZINC001190617869 1007705464 /nfs/dbraw/zinc/70/54/64/1007705464.db2.gz UFAAYGXQERSZHO-UHFFFAOYSA-N -1 3 370.365 2.661 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c1 ZINC001190662779 1007722791 /nfs/dbraw/zinc/72/27/91/1007722791.db2.gz PAMGOAVQELXBMG-UHFFFAOYSA-N -1 3 359.426 2.776 20 30 FFEDHM COc1cccc(CC2([N-]S(=O)(=O)c3cc(C#N)ccc3F)CC2)c1 ZINC001190677262 1007746229 /nfs/dbraw/zinc/74/62/29/1007746229.db2.gz OZOJIFCIUKJKRT-UHFFFAOYSA-N -1 3 360.410 2.760 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000857567722 1008160705 /nfs/dbraw/zinc/16/07/05/1008160705.db2.gz GHRTZOGZONRKPI-OAHLLOKOSA-N -1 3 373.453 2.565 20 30 FFEDHM CCOc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820150407 1008294040 /nfs/dbraw/zinc/29/40/40/1008294040.db2.gz ZVRJXLDDWLBXQD-CQSZACIVSA-N -1 3 356.378 2.598 20 30 FFEDHM O=C(CC(Cc1ccccc1)Cc1ccccc1)N[C@H]1CCN([O-])C1=O ZINC000820149894 1008294073 /nfs/dbraw/zinc/29/40/73/1008294073.db2.gz SRFXENHHFTZZIR-IBGZPJMESA-N -1 3 352.434 2.584 20 30 FFEDHM N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820476824 1008339432 /nfs/dbraw/zinc/33/94/32/1008339432.db2.gz QGESVPCGLZCBPH-HNNXBMFYSA-N -1 3 367.430 2.819 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000777048546 1008403846 /nfs/dbraw/zinc/40/38/46/1008403846.db2.gz RBKYORHJTBEHLX-SFHVURJKSA-N -1 3 364.401 2.920 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)C1CCOCC1 ZINC000887396274 1009192590 /nfs/dbraw/zinc/19/25/90/1009192590.db2.gz RLCLWEYNJUULND-UHFFFAOYSA-N -1 3 359.470 2.777 20 30 FFEDHM CC(C)n1nccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000794470246 1010046710 /nfs/dbraw/zinc/04/67/10/1010046710.db2.gz GIORZQRBPOUQHF-OAHLLOKOSA-N -1 3 370.438 2.739 20 30 FFEDHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2c(F)ccc([O-])c2F)C1=O ZINC000794484300 1010115491 /nfs/dbraw/zinc/11/54/91/1010115491.db2.gz TUPFXXPFCPYOIE-GOSISDBHSA-N -1 3 359.332 2.862 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])ccc1C ZINC000119622691 1010320155 /nfs/dbraw/zinc/32/01/55/1010320155.db2.gz FVFSOGRASZCFKM-AWEZNQCLSA-N -1 3 353.334 2.873 20 30 FFEDHM C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1cccc(C#N)c1[O-] ZINC000866356931 1010983003 /nfs/dbraw/zinc/98/30/03/1010983003.db2.gz BAYFAWGGZDELQT-GJZGRUSLSA-N -1 3 353.422 2.925 20 30 FFEDHM N#Cc1ccccc1N1CCC(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000868915973 1011531179 /nfs/dbraw/zinc/53/11/79/1011531179.db2.gz NRRXWGDMWALQRQ-UHFFFAOYSA-N -1 3 368.412 2.871 20 30 FFEDHM C#CCN1CC[C@]2(CCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275322437 1012295577 /nfs/dbraw/zinc/29/55/77/1012295577.db2.gz WPMLYMFZAGYXKC-KRWDZBQOSA-N -1 3 353.249 2.757 20 30 FFEDHM C#CCN1CC[C@@]2(CCN(Cc3cc(Cl)c([O-])c(Cl)c3)C2)C1=O ZINC001275322439 1012296728 /nfs/dbraw/zinc/29/67/28/1012296728.db2.gz WPMLYMFZAGYXKC-QGZVFWFLSA-N -1 3 353.249 2.757 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000726319954 1020453192 /nfs/dbraw/zinc/45/31/92/1020453192.db2.gz QMWQFWNLSHVZOJ-CQSZACIVSA-N -1 3 369.333 2.573 20 30 FFEDHM COc1ccc(N2CCC(/N=C/c3c([O-])c(C)ncc3CO)CC2)cc1 ZINC000726428474 1020466888 /nfs/dbraw/zinc/46/68/88/1020466888.db2.gz BKBBHWWRNYDARW-WSDLNYQXSA-N -1 3 355.438 2.684 20 30 FFEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnc(C2CC2)o1 ZINC001117197083 1021606265 /nfs/dbraw/zinc/60/62/65/1021606265.db2.gz SSUJREXTQWPESD-CYBMUJFWSA-N -1 3 360.439 2.773 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001122478371 1023294942 /nfs/dbraw/zinc/29/49/42/1023294942.db2.gz DYQMKVAVCGCMDD-NSHDSACASA-N -1 3 350.373 2.641 20 30 FFEDHM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nc(N)c2ccccc2n1 ZINC001122496116 1023304255 /nfs/dbraw/zinc/30/42/55/1023304255.db2.gz BQJTWIRYOMJUAP-MRXNPFEDSA-N -1 3 354.373 2.888 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001122495561 1023304424 /nfs/dbraw/zinc/30/44/24/1023304424.db2.gz BKYQGDYZZCBSMR-GFCCVEGCSA-N -1 3 372.454 2.974 20 30 FFEDHM Cc1nc(COc2ccccc2C([O-])=C(C#N)c2cccc(F)n2)no1 ZINC001122632269 1023380730 /nfs/dbraw/zinc/38/07/30/1023380730.db2.gz UBARWXHVHIGFOD-ZDUSSCGKSA-N -1 3 352.325 2.981 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2cnc[n-]c2=O)n1Cc1cccs1 ZINC001123018704 1023597217 /nfs/dbraw/zinc/59/72/17/1023597217.db2.gz VZQQTSHHIONKEI-UHFFFAOYSA-N -1 3 356.455 2.953 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](C)[C@@H](F)C1 ZINC001121602550 1023874731 /nfs/dbraw/zinc/87/47/31/1023874731.db2.gz UWRFADPLXUIGNI-FZMZJTMJSA-N -1 3 358.421 2.688 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001121635526 1023894889 /nfs/dbraw/zinc/89/48/89/1023894889.db2.gz DGKQOWHTMNFCMJ-UHFFFAOYSA-N -1 3 366.400 2.637 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000780017060 1025346295 /nfs/dbraw/zinc/34/62/95/1025346295.db2.gz USJOZEOJRGUFRV-SNVBAGLBSA-N -1 3 350.334 2.505 20 30 FFEDHM Cc1nc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)nc(C)c1Cc1ccc(Cl)cc1 ZINC001160179040 1027626222 /nfs/dbraw/zinc/62/62/22/1027626222.db2.gz ULMGWOSZHFCZDS-QFYYESIMSA-N -1 3 360.845 2.986 20 30 FFEDHM N#Cc1cccc(NC(=O)c2cnc3cc(Br)ccc3c2[O-])n1 ZINC001153874067 1028040380 /nfs/dbraw/zinc/04/03/80/1028040380.db2.gz QNMWNLXVWVMFOA-UHFFFAOYSA-N -1 3 369.178 2.810 20 30 FFEDHM COc1ncccc1[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C1CC1 ZINC001154560255 1028353263 /nfs/dbraw/zinc/35/32/63/1028353263.db2.gz HSERGLPRWNIZMZ-IBGZPJMESA-N -1 3 374.400 2.684 20 30 FFEDHM CCOCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)s1 ZINC001161913692 1028360821 /nfs/dbraw/zinc/36/08/21/1028360821.db2.gz GLBKAAMAORJPMI-UHFFFAOYSA-N -1 3 368.422 2.897 20 30 FFEDHM N#CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000780894888 1028853527 /nfs/dbraw/zinc/85/35/27/1028853527.db2.gz LTYWYEOLIABMTD-KRWDZBQOSA-N -1 3 365.389 2.538 20 30 FFEDHM CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001163652596 1029010205 /nfs/dbraw/zinc/01/02/05/1029010205.db2.gz VJBRGUAWEDCDJK-QGZVFWFLSA-N -1 3 353.397 2.683 20 30 FFEDHM CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001163652595 1029010265 /nfs/dbraw/zinc/01/02/65/1029010265.db2.gz VJBRGUAWEDCDJK-KRWDZBQOSA-N -1 3 353.397 2.683 20 30 FFEDHM C#CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)C ZINC001156364029 1029166260 /nfs/dbraw/zinc/16/62/60/1029166260.db2.gz HCLXEGPODZZTNP-UHFFFAOYSA-N -1 3 371.462 2.822 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CC(C)C)c2)cc1OC ZINC000781766663 1029393092 /nfs/dbraw/zinc/39/30/92/1029393092.db2.gz NCDIJCIMFVPEEA-OAHLLOKOSA-N -1 3 370.409 2.517 20 30 FFEDHM COC(=O)[C@@H]1C[C@H](Nc2nc(SC)nc(Cl)c2/C=N/[O-])C1(C)C ZINC001157547124 1029613599 /nfs/dbraw/zinc/61/35/99/1029613599.db2.gz RZJQZZSAWMTRET-LJZFLEOYSA-N -1 3 358.851 2.660 20 30 FFEDHM CCCCOc1ccc(C=NOCC(=O)Nc2ncccc2[O-])cc1OC ZINC000783644891 1030207237 /nfs/dbraw/zinc/20/72/37/1030207237.db2.gz KFRTWRGSXOFOBK-UHFFFAOYSA-N -1 3 373.409 2.964 20 30 FFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1C#N ZINC000783690604 1030236844 /nfs/dbraw/zinc/23/68/44/1030236844.db2.gz SQTRMWRDTXZJLV-UHFFFAOYSA-N -1 3 350.338 2.650 20 30 FFEDHM N#Cc1ccc(C(F)(F)F)n(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1=O ZINC001166722824 1030496531 /nfs/dbraw/zinc/49/65/31/1030496531.db2.gz YGHKUTIKIYIRAR-UHFFFAOYSA-N -1 3 372.306 2.950 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001149386107 1031500865 /nfs/dbraw/zinc/50/08/65/1031500865.db2.gz LBRIXMBZGQNXDK-SFHVURJKSA-N -1 3 364.449 2.704 20 30 FFEDHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C1CCCCC1 ZINC001149633524 1031556983 /nfs/dbraw/zinc/55/69/83/1031556983.db2.gz FFHVVANLAKKCHZ-HNNXBMFYSA-N -1 3 350.365 2.888 20 30 FFEDHM C[C@@H](N)c1ncc(C(=O)[N-]c2c(C#N)cnnc2-c2ccccc2)s1 ZINC001218718366 1033301376 /nfs/dbraw/zinc/30/13/76/1033301376.db2.gz OJGKVEJZYSPENW-SNVBAGLBSA-N -1 3 350.407 2.744 20 30 FFEDHM C#C[C@](C)(N)C(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1C ZINC001219321257 1033598579 /nfs/dbraw/zinc/59/85/79/1033598579.db2.gz JXQICXLWMYNIRC-LBPRGKRZSA-N -1 3 368.277 2.596 20 30 FFEDHM Cc1cc(=O)c(C#N)c(OC2CCN(CC(=O)c3cccs3)CC2)[n-]1 ZINC001225468614 1034265205 /nfs/dbraw/zinc/26/52/05/1034265205.db2.gz BKPYTMQLSBUHKF-UHFFFAOYSA-N -1 3 357.435 2.755 20 30 FFEDHM CC(C)(C)OC(=O)N1CCCO[C@H](COc2cccc(/C=N/[O-])c2)C1 ZINC001226114043 1034531240 /nfs/dbraw/zinc/53/12/40/1034531240.db2.gz DDNFJBAZGSAZNM-ZVCOJXFSSA-N -1 3 350.415 2.900 20 30 FFEDHM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226241453 1034588312 /nfs/dbraw/zinc/58/83/12/1034588312.db2.gz VURJIBDDKYJRDM-LBPRGKRZSA-N -1 3 366.295 2.863 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nccc(/C=N/[O-])n2)CC12CCC2 ZINC001226254562 1034595336 /nfs/dbraw/zinc/59/53/36/1034595336.db2.gz AFELOCAACIAXQN-MQMKENTISA-N -1 3 362.430 2.986 20 30 FFEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001277131039 1034704184 /nfs/dbraw/zinc/70/41/84/1034704184.db2.gz TZJIJOHERWUYJI-CQSZACIVSA-N -1 3 363.408 2.692 20 30 FFEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599996 1034752521 /nfs/dbraw/zinc/75/25/21/1034752521.db2.gz RRLUUGQIDPLLHV-AWEZNQCLSA-N -1 3 360.438 2.690 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCC2 ZINC000835060435 1035496249 /nfs/dbraw/zinc/49/62/49/1035496249.db2.gz AJLUNCVTOARMKR-AWEZNQCLSA-N -1 3 352.394 2.579 20 30 FFEDHM C=C(C)C(=O)OC[C@@H](C)Oc1cccc([O-])c1I ZINC001227379182 1035521589 /nfs/dbraw/zinc/52/15/89/1035521589.db2.gz CTXZQLZRLAVCRN-SECBINFHSA-N -1 3 362.163 2.883 20 30 FFEDHM CC[C@@H]1OC(C)=C(Oc2cccc([O-])c2I)C1=O ZINC001227381878 1035522902 /nfs/dbraw/zinc/52/29/02/1035522902.db2.gz RKTKNEROIKLSTG-VIFPVBQESA-N -1 3 360.147 2.985 20 30 FFEDHM COc1ccc(N2CCN(Cc3cc(C#N)ccc3[O-])CC2)c(OC)c1 ZINC001232678433 1035936269 /nfs/dbraw/zinc/93/62/69/1035936269.db2.gz ZARSEMPGCPLPPU-UHFFFAOYSA-N -1 3 353.422 2.603 20 30 FFEDHM Cn1c2ccccc2n(C2CCN(Cc3cc(C#N)ccc3[O-])CC2)c1=O ZINC001232679590 1035936384 /nfs/dbraw/zinc/93/63/84/1035936384.db2.gz OHMSYPYAFKQOBM-UHFFFAOYSA-N -1 3 362.433 2.754 20 30 FFEDHM CCn1c2ccccc2nc1N1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232681069 1035940008 /nfs/dbraw/zinc/94/00/08/1035940008.db2.gz KJWQKNZXTDUAPW-UHFFFAOYSA-N -1 3 361.449 2.956 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc3c(cc2[O-])CCC3=O)[C@H](C#N)C1 ZINC001228859723 1036364869 /nfs/dbraw/zinc/36/48/69/1036364869.db2.gz ZODZTJVIFNMXTK-PXAZEXFGSA-N -1 3 358.394 2.659 20 30 FFEDHM C=C[C@H](Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O)C(=O)OC ZINC001229543136 1036733130 /nfs/dbraw/zinc/73/31/30/1036733130.db2.gz VIVSFLSNCAHZTB-AWEZNQCLSA-N -1 3 352.342 2.582 20 30 FFEDHM CC1(C)CCc2onc(C(=O)[N-]c3ncc4c(c3C#N)COCC4)c2C1 ZINC001536737093 1070050400 /nfs/dbraw/zinc/05/04/00/1070050400.db2.gz WIQKGWBWZVQIMX-UHFFFAOYSA-N -1 3 352.394 2.781 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)C1 ZINC001231077018 1037458955 /nfs/dbraw/zinc/45/89/55/1037458955.db2.gz RFXACDWGAAHMJJ-GXFFZTMASA-N -1 3 374.372 2.612 20 30 FFEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001278009839 1038266311 /nfs/dbraw/zinc/26/63/11/1038266311.db2.gz ZEVXNDKDEJEDJN-AWEZNQCLSA-N -1 3 363.408 2.692 20 30 FFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001209725359 1039160200 /nfs/dbraw/zinc/16/02/00/1039160200.db2.gz KICHYHGWISEFRH-UHFFFAOYSA-N -1 3 356.806 2.917 20 30 FFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ncc(C#N)cc1Cl)C(=O)C2 ZINC001258967003 1039626404 /nfs/dbraw/zinc/62/64/04/1039626404.db2.gz PWDIKXHJABNOCU-ZBEGNZNMSA-N -1 3 367.858 2.744 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(F)c1Cl ZINC001259384844 1039961856 /nfs/dbraw/zinc/96/18/56/1039961856.db2.gz OFPIUTFLFMZRAT-UHFFFAOYSA-N -1 3 367.745 2.998 20 30 FFEDHM COC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC001260045354 1040376241 /nfs/dbraw/zinc/37/62/41/1040376241.db2.gz NPKMPIGRXSLRBY-UHFFFAOYSA-N -1 3 362.382 2.734 20 30 FFEDHM C#CCCC1(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)N=N1 ZINC001260382195 1040567436 /nfs/dbraw/zinc/56/74/36/1040567436.db2.gz FKMYMNVQPAORNT-UHFFFAOYSA-N -1 3 374.235 2.832 20 30 FFEDHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001213519785 1040633520 /nfs/dbraw/zinc/63/35/20/1040633520.db2.gz SFAMEXHXNWDLBH-SNVBAGLBSA-N -1 3 357.781 2.964 20 30 FFEDHM COc1cc([N-]c2nc(C#N)c(C#N)nc2Cl)c(Cl)c(OC)n1 ZINC001250127323 1041121972 /nfs/dbraw/zinc/12/19/72/1041121972.db2.gz GNIZFGYXJLXQBH-UHFFFAOYSA-N -1 3 351.153 2.683 20 30 FFEDHM CCCCCCCNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001261787175 1041417178 /nfs/dbraw/zinc/41/71/78/1041417178.db2.gz GHBCOPMMDNUBGH-UHFFFAOYSA-N -1 3 359.467 2.967 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC001214493175 1041457585 /nfs/dbraw/zinc/45/75/85/1041457585.db2.gz CESGPEABCIKUMJ-RHSMWYFYSA-N -1 3 369.852 2.542 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 ZINC001262988425 1042012908 /nfs/dbraw/zinc/01/29/08/1042012908.db2.gz SAJKACBIUFEBIX-HIFRSBDPSA-N -1 3 372.473 2.577 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1cnc(C)s1 ZINC001263288387 1042222925 /nfs/dbraw/zinc/22/29/25/1042222925.db2.gz QPGVLFPQONNVMB-UHFFFAOYSA-N -1 3 364.866 2.694 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1cnc(C)s1 ZINC001263288387 1042222929 /nfs/dbraw/zinc/22/29/29/1042222929.db2.gz QPGVLFPQONNVMB-UHFFFAOYSA-N -1 3 364.866 2.694 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001263316402 1042237249 /nfs/dbraw/zinc/23/72/49/1042237249.db2.gz SVQGQBOGBZMJEM-GFCCVEGCSA-N -1 3 371.470 2.713 20 30 FFEDHM CCOc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC001310183704 1043647287 /nfs/dbraw/zinc/64/72/87/1043647287.db2.gz ADMOBJOHDRIVMH-JTQLQIEISA-N -1 3 361.320 2.606 20 30 FFEDHM CCOc1ccc(O)c(/C=N\Cc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001319036776 1044996942 /nfs/dbraw/zinc/99/69/42/1044996942.db2.gz FAWFMHHHFBOWBN-GRSHGNNSSA-N -1 3 366.414 2.921 20 30 FFEDHM C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)cs1 ZINC001326588086 1046991486 /nfs/dbraw/zinc/99/14/86/1046991486.db2.gz YWOFGNJCZLHXIE-SSDOTTSWSA-N -1 3 361.370 2.962 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001540337936 1070850369 /nfs/dbraw/zinc/85/03/69/1070850369.db2.gz JFBNEGHGVUKUTJ-QGZVFWFLSA-N -1 3 350.422 2.534 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)COc3ccccc3C#N)nc21 ZINC001289639440 1047713261 /nfs/dbraw/zinc/71/32/61/1047713261.db2.gz OWHXTNBVGRDORU-UHFFFAOYSA-N -1 3 364.361 2.629 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC(F)(F)C1 ZINC001341839950 1050451456 /nfs/dbraw/zinc/45/14/56/1050451456.db2.gz PZGZVXDEINZDIR-UHFFFAOYSA-N -1 3 350.373 2.561 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001340379778 1050772548 /nfs/dbraw/zinc/77/25/48/1050772548.db2.gz HTZKYPVUMKYADM-CQSZACIVSA-N -1 3 359.430 2.753 20 30 FFEDHM COC(=O)c1cc(NC(=O)[C@@H](CC#N)c2ccccc2)c([O-])c(OC)c1 ZINC001304506225 1051627668 /nfs/dbraw/zinc/62/76/68/1051627668.db2.gz WDSSJUGOUZWOQF-AWEZNQCLSA-N -1 3 354.362 2.823 20 30 FFEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001306897609 1052215308 /nfs/dbraw/zinc/21/53/08/1052215308.db2.gz UWBQTTYNXHUVOV-LLVKDONJSA-N -1 3 355.232 2.820 20 30 FFEDHM CCOC(=O)[C@]([N-]C(=O)CC(F)(F)C(F)F)(C1CC1)C(F)(F)F ZINC001338076789 1055211128 /nfs/dbraw/zinc/21/11/28/1055211128.db2.gz VEURPERMFQFAFY-LLVKDONJSA-N -1 3 353.234 2.667 20 30 FFEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cc(N2CCOC2=O)ccc1F ZINC001349702972 1055423358 /nfs/dbraw/zinc/42/33/58/1055423358.db2.gz UDYRHLPBXLEZQD-NSHDSACASA-N -1 3 362.748 2.659 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@@H](COC)C1 ZINC001338635405 1055687787 /nfs/dbraw/zinc/68/77/87/1055687787.db2.gz IBUZBSANKQTHFH-GFCCVEGCSA-N -1 3 371.466 2.919 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001338963065 1055969923 /nfs/dbraw/zinc/96/99/23/1055969923.db2.gz GCQGYPDBISJDOL-OAHLLOKOSA-N -1 3 362.437 2.929 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 ZINC001338963455 1055969978 /nfs/dbraw/zinc/96/99/78/1055969978.db2.gz MOYIGQDRTZHFIL-OLZOCXBDSA-N -1 3 360.487 2.737 20 30 FFEDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H](CC#N)C1 ZINC001351385117 1056237292 /nfs/dbraw/zinc/23/72/92/1056237292.db2.gz ZSKPETFZFOENKM-NSHDSACASA-N -1 3 354.439 2.927 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(CCC#N)CCOC)n2C)c1[O-] ZINC001339317478 1056323180 /nfs/dbraw/zinc/32/31/80/1056323180.db2.gz ROXAMGUGIICTEE-UHFFFAOYSA-N -1 3 355.442 2.673 20 30 FFEDHM CCOc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135535 1059106633 /nfs/dbraw/zinc/10/66/33/1059106633.db2.gz FJKOPAXGBUAYHO-HNNXBMFYSA-N -1 3 370.405 2.988 20 30 FFEDHM N#C[C@@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2cccs2)C1 ZINC001515025355 1059234577 /nfs/dbraw/zinc/23/45/77/1059234577.db2.gz NVPNUZIWFJWRKR-JTQLQIEISA-N -1 3 374.861 2.566 20 30 FFEDHM N#C[C@@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2cccs2)C1 ZINC001515025355 1059234591 /nfs/dbraw/zinc/23/45/91/1059234591.db2.gz NVPNUZIWFJWRKR-JTQLQIEISA-N -1 3 374.861 2.566 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@@H](C)O[C@@H](COC)C3)n2C)c1[O-] ZINC001520084368 1059386146 /nfs/dbraw/zinc/38/61/46/1059386146.db2.gz MXJLGHHXQSYPTF-GDBMZVCRSA-N -1 3 372.469 2.546 20 30 FFEDHM C[C@@H]1CCN(C(=O)C#CC(C)(C)C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001515302034 1059519989 /nfs/dbraw/zinc/51/99/89/1059519989.db2.gz VKAXDLDOZOKQLP-CVEARBPZSA-N -1 3 356.466 2.799 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001454584273 1059575712 /nfs/dbraw/zinc/57/57/12/1059575712.db2.gz QNLGSXICPQHMTP-UHFFFAOYSA-N -1 3 359.401 2.596 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001454584273 1059575736 /nfs/dbraw/zinc/57/57/36/1059575736.db2.gz QNLGSXICPQHMTP-UHFFFAOYSA-N -1 3 359.401 2.596 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3ccn(C)n3)n2C)c1[O-] ZINC001355742555 1060554549 /nfs/dbraw/zinc/55/45/49/1060554549.db2.gz BDPLBTQRSUNZHA-UHFFFAOYSA-N -1 3 352.442 2.676 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CCc3cnccn3)n2C)c1[O-] ZINC001355745389 1060556269 /nfs/dbraw/zinc/55/62/69/1060556269.db2.gz NGQMWLVYIJBJHC-UHFFFAOYSA-N -1 3 364.453 2.775 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNc3ncc(C#N)cc3F)c2)[n-]1 ZINC001458358703 1060573368 /nfs/dbraw/zinc/57/33/68/1060573368.db2.gz JFBPHAGEEKRZEN-UHFFFAOYSA-N -1 3 366.356 2.666 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNc3ncc(C#N)cc3F)c2)n[n-]1 ZINC001458358703 1060573382 /nfs/dbraw/zinc/57/33/82/1060573382.db2.gz JFBPHAGEEKRZEN-UHFFFAOYSA-N -1 3 366.356 2.666 20 30 FFEDHM COc1cc(OC)c2ncc(C#N)c(NCc3nc(C)cc(=O)[n-]3)c2c1 ZINC001458470139 1060597447 /nfs/dbraw/zinc/59/74/47/1060597447.db2.gz RBWFAMDURVMFBB-UHFFFAOYSA-N -1 3 351.366 2.540 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC001526532877 1061158953 /nfs/dbraw/zinc/15/89/53/1061158953.db2.gz AAXCPVXWSIIWAI-KRWDZBQOSA-N -1 3 367.453 2.552 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1OCc2ccccc21 ZINC001522549794 1062208835 /nfs/dbraw/zinc/20/88/35/1062208835.db2.gz DCZVDIGZRASJBC-GOSISDBHSA-N -1 3 351.406 2.596 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C2 ZINC001464327840 1062549492 /nfs/dbraw/zinc/54/94/92/1062549492.db2.gz MNZOORRSOMMHSO-AWEZNQCLSA-N -1 3 350.802 2.796 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2nsnc21 ZINC001438180751 1062968873 /nfs/dbraw/zinc/96/88/73/1062968873.db2.gz YHZNQBHZYGYFOA-UHFFFAOYSA-N -1 3 353.407 2.852 20 30 FFEDHM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)c2ccccc2C#N)C(=O)N1c1ccccc1 ZINC001465463608 1063104532 /nfs/dbraw/zinc/10/45/32/1063104532.db2.gz DCVJDDOENWKPQV-GUYCJALGSA-N -1 3 369.371 2.960 20 30 FFEDHM C#CCCCC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001534042928 1063479750 /nfs/dbraw/zinc/47/97/50/1063479750.db2.gz NVUIOEHKBWBNDS-UHFFFAOYSA-N -1 3 351.815 2.638 20 30 FFEDHM C#CCCCC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001534042928 1063479754 /nfs/dbraw/zinc/47/97/54/1063479754.db2.gz NVUIOEHKBWBNDS-UHFFFAOYSA-N -1 3 351.815 2.638 20 30 FFEDHM N#CCCn1cc(CNCc2ccc(C(=O)[O-])cc2)c(-c2ccncc2)n1 ZINC001574790683 1078082419 /nfs/dbraw/zinc/08/24/19/1078082419.db2.gz BDVACUKYDLZPRW-UHFFFAOYSA-N -1 3 361.405 2.847 20 30 FFEDHM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N([O-])Cc1ccccc1Cl ZINC001472618711 1065112769 /nfs/dbraw/zinc/11/27/69/1065112769.db2.gz FCCVTMXJHRLOOV-NSHDSACASA-N -1 3 372.812 2.753 20 30 FFEDHM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N([O-])Cc1ccccc1Cl ZINC001472618710 1065113249 /nfs/dbraw/zinc/11/32/49/1065113249.db2.gz FCCVTMXJHRLOOV-LLVKDONJSA-N -1 3 372.812 2.753 20 30 FFEDHM O=C(c1ccc2c(c1)C(=O)NCCO2)N([O-])Cc1cccc2ccccc21 ZINC001472623061 1065113892 /nfs/dbraw/zinc/11/38/92/1065113892.db2.gz VKAHBUPHTZXVLG-UHFFFAOYSA-N -1 3 362.385 2.994 20 30 FFEDHM COc1cc(CNc2cc(C)c([N+](=O)[O-])cc2C#N)ccc1-c1nnn[n-]1 ZINC001579928809 1078717436 /nfs/dbraw/zinc/71/74/36/1078717436.db2.gz FVBQXISMXKXJRK-UHFFFAOYSA-N -1 3 365.353 2.576 20 30 FFEDHM COc1cc(CNc2cc(C)c([N+](=O)[O-])cc2C#N)ccc1-c1nn[n-]n1 ZINC001579928809 1078717442 /nfs/dbraw/zinc/71/74/42/1078717442.db2.gz FVBQXISMXKXJRK-UHFFFAOYSA-N -1 3 365.353 2.576 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC001581134093 1078922822 /nfs/dbraw/zinc/92/28/22/1078922822.db2.gz PLDSUYURNRDHKQ-UHFFFAOYSA-N -1 3 359.393 2.873 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC001581134093 1078922826 /nfs/dbraw/zinc/92/28/26/1078922826.db2.gz PLDSUYURNRDHKQ-UHFFFAOYSA-N -1 3 359.393 2.873 20 30 FFEDHM Cc1ccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001581197269 1078932559 /nfs/dbraw/zinc/93/25/59/1078932559.db2.gz SBGPGXIFOVQFHY-CYBMUJFWSA-N -1 3 361.409 2.607 20 30 FFEDHM Cc1ccc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001581197269 1078932564 /nfs/dbraw/zinc/93/25/64/1078932564.db2.gz SBGPGXIFOVQFHY-CYBMUJFWSA-N -1 3 361.409 2.607 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2Br)c1 ZINC001581874772 1079013154 /nfs/dbraw/zinc/01/31/54/1079013154.db2.gz HCLBBUYYOFSJBV-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2Br)c1 ZINC001581874772 1079013159 /nfs/dbraw/zinc/01/31/59/1079013159.db2.gz HCLBBUYYOFSJBV-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001585089981 1079424024 /nfs/dbraw/zinc/42/40/24/1079424024.db2.gz KGLNEJDRVHEGHN-UHFFFAOYSA-N -1 3 362.838 2.969 20 30 FFEDHM O=C(CCNC(=O)c1[nH]nc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001559033500 1076118229 /nfs/dbraw/zinc/11/82/29/1076118229.db2.gz LCYDPZVZDHGXRU-UHFFFAOYSA-N -1 3 372.812 2.754 20 30 FFEDHM Cc1nc(S(=O)(=O)[N-]Cc2cncc(C#N)c2)c(-c2ccccc2)s1 ZINC001561946276 1076451399 /nfs/dbraw/zinc/45/13/99/1076451399.db2.gz DFDAGCNVOUNNCV-UHFFFAOYSA-N -1 3 370.459 2.864 20 30 FFEDHM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N[C@H]1CCCN([O-])C1=O ZINC001562548132 1076503659 /nfs/dbraw/zinc/50/36/59/1076503659.db2.gz BRPOJQAXZKUZAB-KRWDZBQOSA-N -1 3 367.405 2.790 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001573341608 1077675333 /nfs/dbraw/zinc/67/53/33/1077675333.db2.gz ODICZUQXRMCFJJ-UHFFFAOYSA-N -1 3 362.368 2.706 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001573341608 1077675336 /nfs/dbraw/zinc/67/53/36/1077675336.db2.gz ODICZUQXRMCFJJ-UHFFFAOYSA-N -1 3 362.368 2.706 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001573362268 1077683164 /nfs/dbraw/zinc/68/31/64/1077683164.db2.gz CUBNCBUTTURRQF-NZVBXONLSA-N -1 3 361.829 2.581 20 30 FFEDHM CC(C)O[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001574296263 1077951095 /nfs/dbraw/zinc/95/10/95/1077951095.db2.gz BXQSRHIIVBEICZ-KRWDZBQOSA-N -1 3 362.393 2.843 20 30 FFEDHM CC(C)O[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001574296263 1077951098 /nfs/dbraw/zinc/95/10/98/1077951098.db2.gz BXQSRHIIVBEICZ-KRWDZBQOSA-N -1 3 362.393 2.843 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588325558 1079983539 /nfs/dbraw/zinc/98/35/39/1079983539.db2.gz ONNVLYOMXKIISC-WFASDCNBSA-N -1 3 366.347 2.571 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588325558 1079983545 /nfs/dbraw/zinc/98/35/45/1079983545.db2.gz ONNVLYOMXKIISC-WFASDCNBSA-N -1 3 366.347 2.571 20 30 FFEDHM C#CC[C@@H](CC)c1nnc(N(C)Cc2cc(-c3nnn[n-]3)cs2)n1CC ZINC001588330645 1079986636 /nfs/dbraw/zinc/98/66/36/1079986636.db2.gz BWRLWQMADAOODU-GFCCVEGCSA-N -1 3 370.486 2.693 20 30 FFEDHM C#CC[C@@H](CC)c1nnc(N(C)Cc2cc(-c3nn[n-]n3)cs2)n1CC ZINC001588330645 1079986640 /nfs/dbraw/zinc/98/66/40/1079986640.db2.gz BWRLWQMADAOODU-GFCCVEGCSA-N -1 3 370.486 2.693 20 30 FFEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588346419 1079990580 /nfs/dbraw/zinc/99/05/80/1079990580.db2.gz MGYFXCVDSAUQQM-UHFFFAOYSA-N -1 3 357.723 2.548 20 30 FFEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588346419 1079990585 /nfs/dbraw/zinc/99/05/85/1079990585.db2.gz MGYFXCVDSAUQQM-UHFFFAOYSA-N -1 3 357.723 2.548 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588351613 1079992332 /nfs/dbraw/zinc/99/23/32/1079992332.db2.gz AVXBXTKCKVCHHC-UHFFFAOYSA-N -1 3 368.347 2.812 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588351613 1079992336 /nfs/dbraw/zinc/99/23/36/1079992336.db2.gz AVXBXTKCKVCHHC-UHFFFAOYSA-N -1 3 368.347 2.812 20 30 FFEDHM C#CCOc1ccc(CNC(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)cc1 ZINC001588362269 1079993765 /nfs/dbraw/zinc/99/37/65/1079993765.db2.gz ZEEBYGVPAVVRPS-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM C#CCOc1ccc(CNC(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)cc1 ZINC001588362269 1079993768 /nfs/dbraw/zinc/99/37/68/1079993768.db2.gz ZEEBYGVPAVVRPS-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM C#CCOc1cccc(Cl)c1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC001588362076 1079994384 /nfs/dbraw/zinc/99/43/84/1079994384.db2.gz SSSRXALLWFJXOQ-UHFFFAOYSA-N -1 3 371.803 2.961 20 30 FFEDHM C#CCOc1cccc(Cl)c1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC001588362076 1079994389 /nfs/dbraw/zinc/99/43/89/1079994389.db2.gz SSSRXALLWFJXOQ-UHFFFAOYSA-N -1 3 371.803 2.961 20 30 FFEDHM C#Cc1ccccc1CC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC001588376804 1079997560 /nfs/dbraw/zinc/99/75/60/1079997560.db2.gz LLASCUMOJUGMNX-UHFFFAOYSA-N -1 3 368.780 2.658 20 30 FFEDHM C#Cc1ccccc1CC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC001588376804 1079997567 /nfs/dbraw/zinc/99/75/67/1079997567.db2.gz LLASCUMOJUGMNX-UHFFFAOYSA-N -1 3 368.780 2.658 20 30 FFEDHM C#Cc1ccccc1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588375217 1079998147 /nfs/dbraw/zinc/99/81/47/1079998147.db2.gz KMIHXAOUEYQSTN-UHFFFAOYSA-N -1 3 351.797 2.707 20 30 FFEDHM C#Cc1ccccc1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588375217 1079998152 /nfs/dbraw/zinc/99/81/52/1079998152.db2.gz KMIHXAOUEYQSTN-UHFFFAOYSA-N -1 3 351.797 2.707 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588392841 1080004236 /nfs/dbraw/zinc/00/42/36/1080004236.db2.gz JVQMTECWDXRLNM-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588392841 1080004243 /nfs/dbraw/zinc/00/42/43/1080004243.db2.gz JVQMTECWDXRLNM-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC001588401146 1080009893 /nfs/dbraw/zinc/00/98/93/1080009893.db2.gz METCPLQKKYTBRW-QGHHPUGFSA-N -1 3 372.379 2.508 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC001588401146 1080009900 /nfs/dbraw/zinc/00/99/00/1080009900.db2.gz METCPLQKKYTBRW-QGHHPUGFSA-N -1 3 372.379 2.508 20 30 FFEDHM C=C(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1)c1ccc(F)c(F)c1 ZINC001588400786 1080010099 /nfs/dbraw/zinc/01/00/99/1080010099.db2.gz FXLZHVVUTFOJDJ-MRXNPFEDSA-N -1 3 370.363 2.896 20 30 FFEDHM C=C(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1)c1ccc(F)c(F)c1 ZINC001588400786 1080010109 /nfs/dbraw/zinc/01/01/09/1080010109.db2.gz FXLZHVVUTFOJDJ-MRXNPFEDSA-N -1 3 370.363 2.896 20 30 FFEDHM C=C(C)[C@@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC001588400620 1080010229 /nfs/dbraw/zinc/01/02/29/1080010229.db2.gz BYGOAHGGUFDITD-MRXNPFEDSA-N -1 3 370.363 2.896 20 30 FFEDHM C=C(C)[C@@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC001588400620 1080010237 /nfs/dbraw/zinc/01/02/37/1080010237.db2.gz BYGOAHGGUFDITD-MRXNPFEDSA-N -1 3 370.363 2.896 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001588411372 1080013682 /nfs/dbraw/zinc/01/36/82/1080013682.db2.gz ADOKGXHCSSAWCD-HUUCEWRRSA-N -1 3 369.473 2.718 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001588411372 1080013685 /nfs/dbraw/zinc/01/36/85/1080013685.db2.gz ADOKGXHCSSAWCD-HUUCEWRRSA-N -1 3 369.473 2.718 20 30 FFEDHM C=C(C)CCC(=O)NC[C@@H](C)N(CC)c1cccc(F)c1-c1nnn[n-]1 ZINC001588418314 1080020973 /nfs/dbraw/zinc/02/09/73/1080020973.db2.gz ZPCFZRKYUFMTIH-CYBMUJFWSA-N -1 3 360.437 2.693 20 30 FFEDHM C=C(C)CCC(=O)NC[C@@H](C)N(CC)c1cccc(F)c1-c1nn[n-]n1 ZINC001588418314 1080020984 /nfs/dbraw/zinc/02/09/84/1080020984.db2.gz ZPCFZRKYUFMTIH-CYBMUJFWSA-N -1 3 360.437 2.693 20 30 FFEDHM C=C(C)CONC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588429259 1080026040 /nfs/dbraw/zinc/02/60/40/1080026040.db2.gz FUAPUJDZXFWKOG-UHFFFAOYSA-N -1 3 350.382 2.848 20 30 FFEDHM C=C(CC(C)C)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588442598 1080028503 /nfs/dbraw/zinc/02/85/03/1080028503.db2.gz PXGUXTVOVPXEPQ-UHFFFAOYSA-N -1 3 355.442 2.591 20 30 FFEDHM C=C(CC(C)C)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588442598 1080028512 /nfs/dbraw/zinc/02/85/12/1080028512.db2.gz PXGUXTVOVPXEPQ-UHFFFAOYSA-N -1 3 355.442 2.591 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](CCCC)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588454978 1080032098 /nfs/dbraw/zinc/03/20/98/1080032098.db2.gz MQWUMUNTHKSARJ-HNNXBMFYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](CCCC)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588454978 1080032107 /nfs/dbraw/zinc/03/21/07/1080032107.db2.gz MQWUMUNTHKSARJ-HNNXBMFYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C1CCC(C(=O)NC[C@@H](CC)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588461906 1080036076 /nfs/dbraw/zinc/03/60/76/1080036076.db2.gz XQMMSDAEBJMGPE-OAHLLOKOSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C1CCC(C(=O)NC[C@@H](CC)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588461906 1080036084 /nfs/dbraw/zinc/03/60/84/1080036084.db2.gz XQMMSDAEBJMGPE-OAHLLOKOSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001588463891 1080036992 /nfs/dbraw/zinc/03/69/92/1080036992.db2.gz AGXHVJULDFRRAM-UHFFFAOYSA-N -1 3 355.797 2.949 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001588469058 1080038240 /nfs/dbraw/zinc/03/82/40/1080038240.db2.gz UWTSLAMBSAGBDL-OAHLLOKOSA-N -1 3 371.489 2.759 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001588469058 1080038249 /nfs/dbraw/zinc/03/82/49/1080038249.db2.gz UWTSLAMBSAGBDL-OAHLLOKOSA-N -1 3 371.489 2.759 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001588469200 1080038580 /nfs/dbraw/zinc/03/85/80/1080038580.db2.gz YJPGKLNUVQZMGN-UHFFFAOYSA-N -1 3 359.405 2.588 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588469200 1080038594 /nfs/dbraw/zinc/03/85/94/1080038594.db2.gz YJPGKLNUVQZMGN-UHFFFAOYSA-N -1 3 359.405 2.588 20 30 FFEDHM C=C[C@@H](C(=O)NCCNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC001588469004 1080039530 /nfs/dbraw/zinc/03/95/30/1080039530.db2.gz ZQNMMQZWCAKJDX-CQSZACIVSA-N -1 3 366.400 2.504 20 30 FFEDHM C=C[C@@H](C(=O)NCCNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC001588469004 1080039538 /nfs/dbraw/zinc/03/95/38/1080039538.db2.gz ZQNMMQZWCAKJDX-CQSZACIVSA-N -1 3 366.400 2.504 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588474186 1080040222 /nfs/dbraw/zinc/04/02/22/1080040222.db2.gz DNKDNGNMKVHUGL-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588474186 1080040228 /nfs/dbraw/zinc/04/02/28/1080040228.db2.gz DNKDNGNMKVHUGL-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588484940 1080050918 /nfs/dbraw/zinc/05/09/18/1080050918.db2.gz SHJIYGIARDQYFF-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588484940 1080050924 /nfs/dbraw/zinc/05/09/24/1080050924.db2.gz SHJIYGIARDQYFF-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588489032 1080051351 /nfs/dbraw/zinc/05/13/51/1080051351.db2.gz VDJIWMSFAHQPQZ-DNVCBOLYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588489032 1080051355 /nfs/dbraw/zinc/05/13/55/1080051355.db2.gz VDJIWMSFAHQPQZ-DNVCBOLYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588492579 1080053301 /nfs/dbraw/zinc/05/33/01/1080053301.db2.gz UMHHOKPOXPJURA-MOPGFXCFSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588492579 1080053309 /nfs/dbraw/zinc/05/33/09/1080053309.db2.gz UMHHOKPOXPJURA-MOPGFXCFSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588492496 1080053966 /nfs/dbraw/zinc/05/39/66/1080053966.db2.gz SCFSWYUANXVMDS-UGSOOPFHSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588492496 1080053976 /nfs/dbraw/zinc/05/39/76/1080053976.db2.gz SCFSWYUANXVMDS-UGSOOPFHSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588521450 1080073969 /nfs/dbraw/zinc/07/39/69/1080073969.db2.gz NMFIJTHAMHJORH-OLZOCXBDSA-N -1 3 360.437 2.772 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588521450 1080073977 /nfs/dbraw/zinc/07/39/77/1080073977.db2.gz NMFIJTHAMHJORH-OLZOCXBDSA-N -1 3 360.437 2.772 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588532476 1080081386 /nfs/dbraw/zinc/08/13/86/1080081386.db2.gz XHYUHPNKRRTWPO-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588532476 1080081396 /nfs/dbraw/zinc/08/13/96/1080081396.db2.gz XHYUHPNKRRTWPO-CQSZACIVSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001588532332 1080082475 /nfs/dbraw/zinc/08/24/75/1080082475.db2.gz SFFQOLFVHXCMBB-UHFFFAOYSA-N -1 3 354.458 2.872 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001588532332 1080082481 /nfs/dbraw/zinc/08/24/81/1080082481.db2.gz SFFQOLFVHXCMBB-UHFFFAOYSA-N -1 3 354.458 2.872 20 30 FFEDHM C=CCC(C)(C)C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588533480 1080082944 /nfs/dbraw/zinc/08/29/44/1080082944.db2.gz YYOLAANMNANIJL-UHFFFAOYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588533480 1080082954 /nfs/dbraw/zinc/08/29/54/1080082954.db2.gz YYOLAANMNANIJL-UHFFFAOYSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC001588532913 1080084081 /nfs/dbraw/zinc/08/40/81/1080084081.db2.gz JGFWODCQEXHYHT-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC001588532913 1080084087 /nfs/dbraw/zinc/08/40/87/1080084087.db2.gz JGFWODCQEXHYHT-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588539736 1080086370 /nfs/dbraw/zinc/08/63/70/1080086370.db2.gz XLLFHAQGUCHELL-UHFFFAOYSA-N -1 3 370.457 2.694 20 30 FFEDHM C=CCC(C)(C)CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588539736 1080086379 /nfs/dbraw/zinc/08/63/79/1080086379.db2.gz XLLFHAQGUCHELL-UHFFFAOYSA-N -1 3 370.457 2.694 20 30 FFEDHM C=CCC1(C(=O)NCCCNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001588553271 1080093639 /nfs/dbraw/zinc/09/36/39/1080093639.db2.gz LHBXSPIQKDWXPN-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=CCC1(C(=O)NCCCNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001588553271 1080093645 /nfs/dbraw/zinc/09/36/45/1080093645.db2.gz LHBXSPIQKDWXPN-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=CCC1(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001588556807 1080095168 /nfs/dbraw/zinc/09/51/68/1080095168.db2.gz FTRZJMXJGXQFOG-UHFFFAOYSA-N -1 3 358.421 2.942 20 30 FFEDHM C=CCC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001588556807 1080095174 /nfs/dbraw/zinc/09/51/74/1080095174.db2.gz FTRZJMXJGXQFOG-UHFFFAOYSA-N -1 3 358.421 2.942 20 30 FFEDHM C=CCC1(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)CCCC1 ZINC001588556353 1080095188 /nfs/dbraw/zinc/09/51/88/1080095188.db2.gz JXHJWSARRAWPCG-UHFFFAOYSA-N -1 3 361.427 2.546 20 30 FFEDHM C=CCC1(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)CCCC1 ZINC001588556353 1080095192 /nfs/dbraw/zinc/09/51/92/1080095192.db2.gz JXHJWSARRAWPCG-UHFFFAOYSA-N -1 3 361.427 2.546 20 30 FFEDHM C=CCCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001588562349 1080097607 /nfs/dbraw/zinc/09/76/07/1080097607.db2.gz MYYSPTOPOSZWFC-AWEZNQCLSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001588562349 1080097616 /nfs/dbraw/zinc/09/76/16/1080097616.db2.gz MYYSPTOPOSZWFC-AWEZNQCLSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC[C@@H]1N(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCC1(C)C ZINC001588563987 1080100177 /nfs/dbraw/zinc/10/01/77/1080100177.db2.gz HJYSPJZFENJFNY-HNNXBMFYSA-N -1 3 361.471 2.622 20 30 FFEDHM C=CC[C@@H]1N(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCC1(C)C ZINC001588563987 1080100181 /nfs/dbraw/zinc/10/01/81/1080100181.db2.gz HJYSPJZFENJFNY-HNNXBMFYSA-N -1 3 361.471 2.622 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588576656 1080105140 /nfs/dbraw/zinc/10/51/40/1080105140.db2.gz ZWFYZCPDURAHFA-INIZCTEOSA-N -1 3 354.458 2.626 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588576656 1080105145 /nfs/dbraw/zinc/10/51/45/1080105145.db2.gz ZWFYZCPDURAHFA-INIZCTEOSA-N -1 3 354.458 2.626 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588576657 1080105501 /nfs/dbraw/zinc/10/55/01/1080105501.db2.gz ZWFYZCPDURAHFA-MRXNPFEDSA-N -1 3 354.458 2.626 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588576657 1080105509 /nfs/dbraw/zinc/10/55/09/1080105509.db2.gz ZWFYZCPDURAHFA-MRXNPFEDSA-N -1 3 354.458 2.626 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588593935 1080115904 /nfs/dbraw/zinc/11/59/04/1080115904.db2.gz JCFXCTFHIQVXRA-OAHLLOKOSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588593935 1080115907 /nfs/dbraw/zinc/11/59/07/1080115907.db2.gz JCFXCTFHIQVXRA-OAHLLOKOSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCCCCNC(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588596420 1080116658 /nfs/dbraw/zinc/11/66/58/1080116658.db2.gz QFDYQTNAKZBZDC-UHFFFAOYSA-N -1 3 350.220 2.715 20 30 FFEDHM C=CCCCCNC(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588596420 1080116661 /nfs/dbraw/zinc/11/66/61/1080116661.db2.gz QFDYQTNAKZBZDC-UHFFFAOYSA-N -1 3 350.220 2.715 20 30 FFEDHM C=CCCSCCNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588618039 1080124281 /nfs/dbraw/zinc/12/42/81/1080124281.db2.gz PCLRKGMIUXOQGI-CYBMUJFWSA-N -1 3 360.487 2.878 20 30 FFEDHM C=CCCSCCNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588618039 1080124285 /nfs/dbraw/zinc/12/42/85/1080124285.db2.gz PCLRKGMIUXOQGI-CYBMUJFWSA-N -1 3 360.487 2.878 20 30 FFEDHM C=CCN(CC(=O)c1ccccc1F)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588628083 1080126963 /nfs/dbraw/zinc/12/69/63/1080126963.db2.gz PQSNYEVQLVFHBK-UHFFFAOYSA-N -1 3 351.385 2.877 20 30 FFEDHM C=CCN(CC(=O)c1ccccc1F)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588628083 1080126967 /nfs/dbraw/zinc/12/69/67/1080126967.db2.gz PQSNYEVQLVFHBK-UHFFFAOYSA-N -1 3 351.385 2.877 20 30 FFEDHM C=CCN(CC(=O)Nc1ccc(C)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588627833 1080127216 /nfs/dbraw/zinc/12/72/16/1080127216.db2.gz KHDHPTXVIDADPF-UHFFFAOYSA-N -1 3 362.437 2.802 20 30 FFEDHM C=CCN(CC(=O)Nc1ccc(C)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588627833 1080127220 /nfs/dbraw/zinc/12/72/20/1080127220.db2.gz KHDHPTXVIDADPF-UHFFFAOYSA-N -1 3 362.437 2.802 20 30 FFEDHM C=CCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588627582 1080127534 /nfs/dbraw/zinc/12/75/34/1080127534.db2.gz ADFGTYZRQRIUHK-IYBDPMFKSA-N -1 3 368.485 2.644 20 30 FFEDHM C=CCN(CCOC)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588632444 1080129962 /nfs/dbraw/zinc/12/99/62/1080129962.db2.gz RERJCGYDTNHOLI-UHFFFAOYSA-N -1 3 374.445 2.710 20 30 FFEDHM C=CCN(CCOC)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588632444 1080129966 /nfs/dbraw/zinc/12/99/66/1080129966.db2.gz RERJCGYDTNHOLI-UHFFFAOYSA-N -1 3 374.445 2.710 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001588638551 1080132188 /nfs/dbraw/zinc/13/21/88/1080132188.db2.gz FNOBRROPOLCRBQ-GFCCVEGCSA-N -1 3 365.441 2.525 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1c(C)n[nH]c1C ZINC001588638551 1080132194 /nfs/dbraw/zinc/13/21/94/1080132194.db2.gz FNOBRROPOLCRBQ-GFCCVEGCSA-N -1 3 365.441 2.525 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1ccsc1 ZINC001588639693 1080133730 /nfs/dbraw/zinc/13/37/30/1080133730.db2.gz FHFPPPQJBIYWCX-UHFFFAOYSA-N -1 3 355.423 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1ccsc1 ZINC001588639693 1080133733 /nfs/dbraw/zinc/13/37/33/1080133733.db2.gz FHFPPPQJBIYWCX-UHFFFAOYSA-N -1 3 355.423 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC001588642188 1080135583 /nfs/dbraw/zinc/13/55/83/1080135583.db2.gz VVCCAARALFLTSE-HOTGVXAUSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC001588642188 1080135586 /nfs/dbraw/zinc/13/55/86/1080135586.db2.gz VVCCAARALFLTSE-HOTGVXAUSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(COC)c1 ZINC001588648650 1080138602 /nfs/dbraw/zinc/13/86/02/1080138602.db2.gz SFHNYDHCESZNEG-UHFFFAOYSA-N -1 3 363.421 2.842 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(COC)c1 ZINC001588648650 1080138607 /nfs/dbraw/zinc/13/86/07/1080138607.db2.gz SFHNYDHCESZNEG-UHFFFAOYSA-N -1 3 363.421 2.842 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C(C)(C)F)n1CC ZINC001588652377 1080142313 /nfs/dbraw/zinc/14/23/13/1080142313.db2.gz WLKUJKGOFRLKOK-UHFFFAOYSA-N -1 3 370.436 2.875 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C(C)(C)F)n1CC ZINC001588652377 1080142315 /nfs/dbraw/zinc/14/23/15/1080142315.db2.gz WLKUJKGOFRLKOK-UHFFFAOYSA-N -1 3 370.436 2.875 20 30 FFEDHM C=CCOc1ccc(CC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588688809 1080154895 /nfs/dbraw/zinc/15/48/95/1080154895.db2.gz APXWKCLHFXTKNK-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C=CCOc1ccc(CC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588688809 1080154898 /nfs/dbraw/zinc/15/48/98/1080154898.db2.gz APXWKCLHFXTKNK-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588689526 1080156055 /nfs/dbraw/zinc/15/60/55/1080156055.db2.gz MAHCFUZMNFJZDU-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588689526 1080156059 /nfs/dbraw/zinc/15/60/59/1080156059.db2.gz MAHCFUZMNFJZDU-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1O ZINC001588694511 1080159871 /nfs/dbraw/zinc/15/98/71/1080159871.db2.gz KRUWGVPZXZGHMN-UHFFFAOYSA-N -1 3 350.382 2.755 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H](C)C[C@H]1C ZINC001588696121 1080159968 /nfs/dbraw/zinc/15/99/68/1080159968.db2.gz JUFFKCXDYXHSGO-CHWSQXEVSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H](C)C[C@H]1C ZINC001588696121 1080159969 /nfs/dbraw/zinc/15/99/69/1080159969.db2.gz JUFFKCXDYXHSGO-CHWSQXEVSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(Cc2ccc(-c3nnn[n-]3)cc2)nnc1N1CCCC1(C)C ZINC001588704118 1080161793 /nfs/dbraw/zinc/16/17/93/1080161793.db2.gz WYOAXFPPJFRRPK-UHFFFAOYSA-N -1 3 364.457 2.614 20 30 FFEDHM C=CCn1c(Cc2ccc(-c3nn[n-]n3)cc2)nnc1N1CCCC1(C)C ZINC001588704118 1080161798 /nfs/dbraw/zinc/16/17/98/1080161798.db2.gz WYOAXFPPJFRRPK-UHFFFAOYSA-N -1 3 364.457 2.614 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC001588703442 1080162139 /nfs/dbraw/zinc/16/21/39/1080162139.db2.gz PJHIYZBXSAOLAP-UHFFFAOYSA-N -1 3 365.393 2.511 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001588703442 1080162145 /nfs/dbraw/zinc/16/21/45/1080162145.db2.gz PJHIYZBXSAOLAP-UHFFFAOYSA-N -1 3 365.393 2.511 20 30 FFEDHM C=CCn1cnnc1SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001588716525 1080167176 /nfs/dbraw/zinc/16/71/76/1080167176.db2.gz HSHXAPQCGYYFBU-UHFFFAOYSA-N -1 3 365.369 2.538 20 30 FFEDHM C=CCn1cnnc1SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001588716525 1080167181 /nfs/dbraw/zinc/16/71/81/1080167181.db2.gz HSHXAPQCGYYFBU-UHFFFAOYSA-N -1 3 365.369 2.538 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588726288 1080171353 /nfs/dbraw/zinc/17/13/53/1080171353.db2.gz XSUANKJUZOTFIG-OCCSQVGLSA-N -1 3 357.414 2.574 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588726288 1080171354 /nfs/dbraw/zinc/17/13/54/1080171354.db2.gz XSUANKJUZOTFIG-OCCSQVGLSA-N -1 3 357.414 2.574 20 30 FFEDHM CC#CCCCC(=O)NCCN(CCC)c1cccc(F)c1-c1nnn[n-]1 ZINC001588743772 1080178384 /nfs/dbraw/zinc/17/83/84/1080178384.db2.gz KXKOLVKYYATLDO-UHFFFAOYSA-N -1 3 372.448 2.532 20 30 FFEDHM CC#CCCCC(=O)NCCN(CCC)c1cccc(F)c1-c1nn[n-]n1 ZINC001588743772 1080178389 /nfs/dbraw/zinc/17/83/89/1080178389.db2.gz KXKOLVKYYATLDO-UHFFFAOYSA-N -1 3 372.448 2.532 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)ccc1Br)C1CCOCC1 ZINC001588777320 1080191982 /nfs/dbraw/zinc/19/19/82/1080191982.db2.gz NKTOMCCLPDFIAD-UHFFFAOYSA-N -1 3 365.235 2.844 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)ccc1Br)C1CCOCC1 ZINC001588777320 1080191988 /nfs/dbraw/zinc/19/19/88/1080191988.db2.gz NKTOMCCLPDFIAD-UHFFFAOYSA-N -1 3 365.235 2.844 20 30 FFEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001588777373 1080192223 /nfs/dbraw/zinc/19/22/23/1080192223.db2.gz QBSSAMRUUWVBIX-UHFFFAOYSA-N -1 3 372.776 2.847 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588895171 1080244508 /nfs/dbraw/zinc/24/45/08/1080244508.db2.gz XWPIPEWMNOEHHH-UHFFFAOYSA-N -1 3 372.388 2.611 20 30 FFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588895171 1080244514 /nfs/dbraw/zinc/24/45/14/1080244514.db2.gz XWPIPEWMNOEHHH-UHFFFAOYSA-N -1 3 372.388 2.611 20 30 FFEDHM C[C@@H](C#N)CN(Cc1cc(-c2nnn[n-]2)ccc1Br)C1CC1 ZINC001588934516 1080271140 /nfs/dbraw/zinc/27/11/40/1080271140.db2.gz OTLBHLZFHXJTDB-JTQLQIEISA-N -1 3 361.247 2.753 20 30 FFEDHM C[C@@H](C#N)CN(Cc1cc(-c2nn[n-]n2)ccc1Br)C1CC1 ZINC001588934516 1080271151 /nfs/dbraw/zinc/27/11/51/1080271151.db2.gz OTLBHLZFHXJTDB-JTQLQIEISA-N -1 3 361.247 2.753 20 30 FFEDHM C[C@H](C#N)OCCNc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001588934006 1080271352 /nfs/dbraw/zinc/27/13/52/1080271352.db2.gz CYAOMQRBYLVQKX-CYBMUJFWSA-N -1 3 350.382 3.000 20 30 FFEDHM C[C@H](C#N)OCCNc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001588934006 1080271360 /nfs/dbraw/zinc/27/13/60/1080271360.db2.gz CYAOMQRBYLVQKX-CYBMUJFWSA-N -1 3 350.382 3.000 20 30 FFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cnccc2-c2nnn[n-]2)cc1 ZINC001589222400 1080428768 /nfs/dbraw/zinc/42/87/68/1080428768.db2.gz ZPZSTZSBVVOMRB-MRXNPFEDSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cnccc2-c2nn[n-]n2)cc1 ZINC001589222400 1080428771 /nfs/dbraw/zinc/42/87/71/1080428771.db2.gz ZPZSTZSBVVOMRB-MRXNPFEDSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001589389804 1080513007 /nfs/dbraw/zinc/51/30/07/1080513007.db2.gz NNVCHTFGMIXNGR-HUUCEWRRSA-N -1 3 370.432 2.505 20 30 FFEDHM CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001589389804 1080513014 /nfs/dbraw/zinc/51/30/14/1080513014.db2.gz NNVCHTFGMIXNGR-HUUCEWRRSA-N -1 3 370.432 2.505 20 30 FFEDHM CC(C)[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC001589456360 1080541954 /nfs/dbraw/zinc/54/19/54/1080541954.db2.gz DXEWFUKKANRZGD-AWEZNQCLSA-N -1 3 371.445 2.700 20 30 FFEDHM CC(C)[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001589456360 1080541957 /nfs/dbraw/zinc/54/19/57/1080541957.db2.gz DXEWFUKKANRZGD-AWEZNQCLSA-N -1 3 371.445 2.700 20 30 FFEDHM CC(C)[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC001589456361 1080542408 /nfs/dbraw/zinc/54/24/08/1080542408.db2.gz DXEWFUKKANRZGD-CQSZACIVSA-N -1 3 371.445 2.700 20 30 FFEDHM CC(C)[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001589456361 1080542415 /nfs/dbraw/zinc/54/24/15/1080542415.db2.gz DXEWFUKKANRZGD-CQSZACIVSA-N -1 3 371.445 2.700 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001589488478 1080559917 /nfs/dbraw/zinc/55/99/17/1080559917.db2.gz QPNULZWZSGEGRE-CPUCHLNUSA-N -1 3 369.425 2.896 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001589488478 1080559923 /nfs/dbraw/zinc/55/99/23/1080559923.db2.gz QPNULZWZSGEGRE-CPUCHLNUSA-N -1 3 369.425 2.896 20 30 FFEDHM CC(C)C[C@](C)(C#N)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001589541862 1080595194 /nfs/dbraw/zinc/59/51/94/1080595194.db2.gz MTXRECWIMHQUCF-QGZVFWFLSA-N -1 3 358.471 2.544 20 30 FFEDHM CC(C)C[C@](C)(C#N)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001589541862 1080595205 /nfs/dbraw/zinc/59/52/05/1080595205.db2.gz MTXRECWIMHQUCF-QGZVFWFLSA-N -1 3 358.471 2.544 20 30 FFEDHM CC(C)CN(C(=O)Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589612749 1080634398 /nfs/dbraw/zinc/63/43/98/1080634398.db2.gz BWBLJXCWJZJNIO-UHFFFAOYSA-N -1 3 360.421 2.970 20 30 FFEDHM CC(C)CN(C(=O)Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589612749 1080634403 /nfs/dbraw/zinc/63/44/03/1080634403.db2.gz BWBLJXCWJZJNIO-UHFFFAOYSA-N -1 3 360.421 2.970 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccnc(C#N)c1 ZINC001589696253 1080674942 /nfs/dbraw/zinc/67/49/42/1080674942.db2.gz SMONFLHQQQYZLH-UHFFFAOYSA-N -1 3 362.397 2.576 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnc(C#N)c1 ZINC001589696253 1080674946 /nfs/dbraw/zinc/67/49/46/1080674946.db2.gz SMONFLHQQQYZLH-UHFFFAOYSA-N -1 3 362.397 2.576 20 30 FFEDHM CC(C)n1nnnc1-c1cccc(Nc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001589787944 1080741270 /nfs/dbraw/zinc/74/12/70/1080741270.db2.gz WMFNJFIZYIZXSU-UHFFFAOYSA-N -1 3 372.396 2.716 20 30 FFEDHM CC(C)n1nnnc1-c1cccc(Nc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001589787944 1080741276 /nfs/dbraw/zinc/74/12/76/1080741276.db2.gz WMFNJFIZYIZXSU-UHFFFAOYSA-N -1 3 372.396 2.716 20 30 FFEDHM C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589915574 1080858151 /nfs/dbraw/zinc/85/81/51/1080858151.db2.gz KTEXJPFPIDTHRS-DOXZYTNZSA-N -1 3 374.448 2.857 20 30 FFEDHM C[C@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001590003350 1080930323 /nfs/dbraw/zinc/93/03/23/1080930323.db2.gz MVJPZFFACXLVGY-UGSOOPFHSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001590003350 1080930332 /nfs/dbraw/zinc/93/03/32/1080930332.db2.gz MVJPZFFACXLVGY-UGSOOPFHSA-N -1 3 372.388 2.725 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC001590032044 1080956996 /nfs/dbraw/zinc/95/69/96/1080956996.db2.gz UBPWBWMNKUAZGC-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC001590032044 1080957002 /nfs/dbraw/zinc/95/70/02/1080957002.db2.gz UBPWBWMNKUAZGC-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM CC1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)CC1 ZINC001590053623 1080981603 /nfs/dbraw/zinc/98/16/03/1080981603.db2.gz CQGIYOVQAOCNME-UHFFFAOYSA-N -1 3 351.414 2.902 20 30 FFEDHM CC1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)CC1 ZINC001590053623 1080981609 /nfs/dbraw/zinc/98/16/09/1080981609.db2.gz CQGIYOVQAOCNME-UHFFFAOYSA-N -1 3 351.414 2.902 20 30 FFEDHM C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001590215687 1081098442 /nfs/dbraw/zinc/09/84/42/1081098442.db2.gz WIILLSDRADISAR-WQAKAFBOSA-N -1 3 350.407 2.822 20 30 FFEDHM C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001590215687 1081098449 /nfs/dbraw/zinc/09/84/49/1081098449.db2.gz WIILLSDRADISAR-WQAKAFBOSA-N -1 3 350.407 2.822 20 30 FFEDHM COC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000103040145 250131373 /nfs/dbraw/zinc/13/13/73/250131373.db2.gz FMVSPUPFSBTREL-UHFFFAOYSA-N -1 3 367.405 2.530 20 30 FFEDHM Cc1c(Cl)cnc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c1C#N ZINC000273364482 252290140 /nfs/dbraw/zinc/29/01/40/252290140.db2.gz RBRLRTBQJXJKKT-UHFFFAOYSA-N -1 3 356.813 2.583 20 30 FFEDHM COC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1nccs1 ZINC000278496567 256318688 /nfs/dbraw/zinc/31/86/88/256318688.db2.gz QBEMKXPRYSEVNN-AWEZNQCLSA-N -1 3 361.423 2.596 20 30 FFEDHM CCOC1CC2(C1)CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000286142126 257022422 /nfs/dbraw/zinc/02/24/22/257022422.db2.gz HTQGEWHZODCRPM-UHFFFAOYSA-N -1 3 357.454 2.626 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCCCO)cc1 ZINC000286583482 257044063 /nfs/dbraw/zinc/04/40/63/257044063.db2.gz NIESHHNKBDBWPT-UHFFFAOYSA-N -1 3 369.421 2.608 20 30 FFEDHM CC[C@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000286779516 257054866 /nfs/dbraw/zinc/05/48/66/257054866.db2.gz XAMZXWKPGZGYQM-LBPRGKRZSA-N -1 3 361.423 2.614 20 30 FFEDHM N#Cc1ccc2nc(N3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc2c1 ZINC000302645698 258107309 /nfs/dbraw/zinc/10/73/09/258107309.db2.gz MDCRKYSSRDCHKK-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000066397079 506506347 /nfs/dbraw/zinc/50/63/47/506506347.db2.gz LIVTYAGTFHCFEK-QGZVFWFLSA-N -1 3 352.438 2.608 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000043485641 506748949 /nfs/dbraw/zinc/74/89/49/506748949.db2.gz YFRSWHJQIWJUKD-UHFFFAOYSA-N -1 3 361.405 2.620 20 30 FFEDHM C=CCOc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000055723262 506833279 /nfs/dbraw/zinc/83/32/79/506833279.db2.gz VEXWRYHYNXZRNT-UHFFFAOYSA-N -1 3 351.406 3.000 20 30 FFEDHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000015361930 507035994 /nfs/dbraw/zinc/03/59/94/507035994.db2.gz CSAFDYUKQDAFAP-QGZVFWFLSA-N -1 3 372.446 2.920 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000015532704 507045498 /nfs/dbraw/zinc/04/54/98/507045498.db2.gz WHDQYFBMEIUHGV-UHFFFAOYSA-N -1 3 354.797 2.960 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000069788433 507559237 /nfs/dbraw/zinc/55/92/37/507559237.db2.gz CYJRABKKTFVXKS-UHFFFAOYSA-N -1 3 356.513 2.621 20 30 FFEDHM N#CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCC1 ZINC000063477124 507736533 /nfs/dbraw/zinc/73/65/33/507736533.db2.gz IKFNILDRAHWTEF-UHFFFAOYSA-N -1 3 373.409 2.803 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000030359891 507807236 /nfs/dbraw/zinc/80/72/36/507807236.db2.gz ADBGKOGCVZWBKT-NSHDSACASA-N -1 3 364.398 2.754 20 30 FFEDHM Cc1ccccc1O[C@H](C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000078230539 507847431 /nfs/dbraw/zinc/84/74/31/507847431.db2.gz GTRDRRZYYXNIMW-CQSZACIVSA-N -1 3 367.449 2.688 20 30 FFEDHM COCCN(CCC#N)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094106575 508169460 /nfs/dbraw/zinc/16/94/60/508169460.db2.gz AQYMSRHUGIBYJW-UHFFFAOYSA-N -1 3 354.406 2.973 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000081958395 508221123 /nfs/dbraw/zinc/22/11/23/508221123.db2.gz MNYPRVNIRSASIH-OAQYLSRUSA-N -1 3 363.417 2.570 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000127832328 508506897 /nfs/dbraw/zinc/50/68/97/508506897.db2.gz MANCHIPLIPLUMI-SWLSCSKDSA-N -1 3 356.875 2.821 20 30 FFEDHM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157484751 508571946 /nfs/dbraw/zinc/57/19/46/508571946.db2.gz YIELFMLUYQYVSS-PIGZYNQJSA-N -1 3 357.391 2.678 20 30 FFEDHM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153535200 508593650 /nfs/dbraw/zinc/59/36/50/508593650.db2.gz DFXJUPWKAJVPJR-UHFFFAOYSA-N -1 3 366.826 2.762 20 30 FFEDHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000135370195 508595052 /nfs/dbraw/zinc/59/50/52/508595052.db2.gz JXWHMKFONXTFFY-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000123053482 508628755 /nfs/dbraw/zinc/62/87/55/508628755.db2.gz KACJJTBDGOITBI-UHFFFAOYSA-N -1 3 366.464 2.805 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)s1 ZINC000124563660 508852430 /nfs/dbraw/zinc/85/24/30/508852430.db2.gz KHCRLHCJOQPUFQ-ZDUSSCGKSA-N -1 3 364.448 2.858 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000120107237 508930159 /nfs/dbraw/zinc/93/01/59/508930159.db2.gz KIDJQFURRPEVLU-UHFFFAOYSA-N -1 3 358.463 2.977 20 30 FFEDHM Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000155137501 508932083 /nfs/dbraw/zinc/93/20/83/508932083.db2.gz ZXIJNBGLJQPXLS-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151079450 508951616 /nfs/dbraw/zinc/95/16/16/508951616.db2.gz RVBXOHQQPJZBOK-SNVBAGLBSA-N -1 3 352.362 2.885 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)c(F)c1 ZINC000151137720 508964484 /nfs/dbraw/zinc/96/44/84/508964484.db2.gz UIMPSUZISGGXGR-UHFFFAOYSA-N -1 3 370.352 2.820 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccnn2C(C)C)C1=O ZINC000131791428 508970081 /nfs/dbraw/zinc/97/00/81/508970081.db2.gz DPBFTFQDIMMVRO-SFHVURJKSA-N -1 3 363.462 2.780 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)c(F)c1 ZINC000151200435 508976781 /nfs/dbraw/zinc/97/67/81/508976781.db2.gz VVPSKNTYSPXHGS-HZMBPMFUSA-N -1 3 352.337 2.810 20 30 FFEDHM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C ZINC000131924110 508981620 /nfs/dbraw/zinc/98/16/20/508981620.db2.gz PLHMBGXSGJGTGG-GFCCVEGCSA-N -1 3 350.378 2.795 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000132899600 509089390 /nfs/dbraw/zinc/08/93/90/509089390.db2.gz STXWRWHBRXWTPF-SNVBAGLBSA-N -1 3 362.373 2.670 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CCO)c1ccccc1 ZINC000121471117 509175597 /nfs/dbraw/zinc/17/55/97/509175597.db2.gz IGDYHYQLUUWCPF-OAHLLOKOSA-N -1 3 350.827 2.614 20 30 FFEDHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000172892496 509294888 /nfs/dbraw/zinc/29/48/88/509294888.db2.gz SGXFYKHKXBORJA-UHFFFAOYSA-N -1 3 350.371 2.527 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000163360982 509368338 /nfs/dbraw/zinc/36/83/38/509368338.db2.gz NJTZMNDWJAHLJA-UHFFFAOYSA-N -1 3 354.255 2.873 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1cc(Cl)ccc1C#N ZINC000176427806 509505359 /nfs/dbraw/zinc/50/53/59/509505359.db2.gz XHWPQFRSQUEPOC-UHFFFAOYSA-N -1 3 368.824 2.984 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cn1 ZINC000164982093 509548974 /nfs/dbraw/zinc/54/89/74/509548974.db2.gz QZEUTTGZHKWQGC-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000166265627 509600081 /nfs/dbraw/zinc/60/00/81/509600081.db2.gz VJCJCCLVQAHZNI-KBPBESRZSA-N -1 3 358.822 2.532 20 30 FFEDHM CCS[C@@H]1CCC[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000176737967 509665231 /nfs/dbraw/zinc/66/52/31/509665231.db2.gz QTJLSAOQRRHEKD-LSDHHAIUSA-N -1 3 361.511 2.977 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000186434663 509707107 /nfs/dbraw/zinc/70/71/07/509707107.db2.gz QCHCOKWYBPTEQT-JTQLQIEISA-N -1 3 352.437 2.658 20 30 FFEDHM CCCCO[C@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(C)C ZINC000176872120 509736183 /nfs/dbraw/zinc/73/61/83/509736183.db2.gz KRRWAQSYDOGHPR-MSOLQXFVSA-N -1 3 373.497 2.896 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000193053039 509756908 /nfs/dbraw/zinc/75/69/08/509756908.db2.gz MJCKJNUUYWDOKS-UHFFFAOYSA-N -1 3 374.444 2.859 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ncccc2Cl)c(Cl)c1 ZINC000180146672 509778560 /nfs/dbraw/zinc/77/85/60/509778560.db2.gz KSXAMQNITHZGQJ-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(F)c(F)c1 ZINC000180188250 509802144 /nfs/dbraw/zinc/80/21/44/509802144.db2.gz WQYQHMDFIXBVHR-MRXNPFEDSA-N -1 3 370.352 2.642 20 30 FFEDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183675527 509921912 /nfs/dbraw/zinc/92/19/12/509921912.db2.gz MKNLXAHFIPSZPF-SECBINFHSA-N -1 3 353.831 2.726 20 30 FFEDHM N#CCCn1ccc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)n1 ZINC000187097207 510055063 /nfs/dbraw/zinc/05/50/63/510055063.db2.gz INMYFYCDCCLHQD-UHFFFAOYSA-N -1 3 360.373 2.986 20 30 FFEDHM CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCC2 ZINC000174552471 510174216 /nfs/dbraw/zinc/17/42/16/510174216.db2.gz PBOUXAFZZHPIAV-QZTJIDSGSA-N -1 3 371.481 2.650 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCC(C)CC1 ZINC000184220918 510201077 /nfs/dbraw/zinc/20/10/77/510201077.db2.gz WKTBPRPILUSSKI-CYBMUJFWSA-N -1 3 355.891 2.610 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccncc1C(=O)C(C)C ZINC000187462795 510281518 /nfs/dbraw/zinc/28/15/18/510281518.db2.gz CXWJPYAWTHNQQW-UHFFFAOYSA-N -1 3 366.421 2.668 20 30 FFEDHM C=CCn1nnnc1SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194350694 510324697 /nfs/dbraw/zinc/32/46/97/510324697.db2.gz AOTGRUHUCPVQPT-UHFFFAOYSA-N -1 3 372.435 2.709 20 30 FFEDHM COc1cccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000174866204 510354802 /nfs/dbraw/zinc/35/48/02/510354802.db2.gz FHJZSZSTUUVBBL-UHFFFAOYSA-N -1 3 350.378 2.707 20 30 FFEDHM N#CC(=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nc2ccccc2[nH]1 ZINC000181391731 510386635 /nfs/dbraw/zinc/38/66/35/510386635.db2.gz NSXPEMNLFHFQKE-JTQLQIEISA-N -1 3 350.290 2.690 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c1 ZINC000184720235 510482610 /nfs/dbraw/zinc/48/26/10/510482610.db2.gz FVAXZZOPCRJCHW-UHFFFAOYSA-N -1 3 362.838 2.668 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194767410 510518155 /nfs/dbraw/zinc/51/81/55/510518155.db2.gz HPMNXFWORKKUQM-FUHWJXTLSA-N -1 3 353.397 2.607 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)CC2)nc1 ZINC000185428126 510842185 /nfs/dbraw/zinc/84/21/85/510842185.db2.gz QQSXGMMVNHSLLQ-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1csc(=NC3CC3)[n-]1)C2 ZINC000330206489 510937995 /nfs/dbraw/zinc/93/79/95/510937995.db2.gz DHNCNBPNMVKMOY-LBPRGKRZSA-N -1 3 359.499 2.953 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)[C@@H]1OCCc2sccc21 ZINC000330205530 510937999 /nfs/dbraw/zinc/93/79/99/510937999.db2.gz DNNDJUBLYNRDGB-DOMZBBRYSA-N -1 3 354.497 2.754 20 30 FFEDHM C#CCC1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCCC1 ZINC000276428426 510938853 /nfs/dbraw/zinc/93/88/53/510938853.db2.gz FJPVYGNCKJQDKZ-UHFFFAOYSA-N -1 3 354.450 2.650 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278143871 510983794 /nfs/dbraw/zinc/98/37/94/510983794.db2.gz BLPIOVQTWAODQQ-UHFFFAOYSA-N -1 3 371.393 2.829 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278477619 510993605 /nfs/dbraw/zinc/99/36/05/510993605.db2.gz IRWOUFLWYCRZIB-UHFFFAOYSA-N -1 3 373.365 2.818 20 30 FFEDHM CN(C)[C@]1(CNC(=O)c2cc(Br)ccc2[O-])CCSC1 ZINC000331250027 511054783 /nfs/dbraw/zinc/05/47/83/511054783.db2.gz WJDYEKCTIDUCHJ-AWEZNQCLSA-N -1 3 359.289 2.897 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]c1C1CC1 ZINC000290346528 511135379 /nfs/dbraw/zinc/13/53/79/511135379.db2.gz FTOPDHAFYAQMHS-UHFFFAOYSA-N -1 3 363.280 2.921 20 30 FFEDHM CCOCCOCc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000298632380 511355461 /nfs/dbraw/zinc/35/54/61/511355461.db2.gz GVBBNDHDBYPJSR-CIAFOILYSA-N -1 3 358.438 2.760 20 30 FFEDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1 ZINC000291989211 511419898 /nfs/dbraw/zinc/41/98/98/511419898.db2.gz SWTMXMDEKOKOOW-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM COc1ccccc1CN(OC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000292372482 511572203 /nfs/dbraw/zinc/57/22/03/511572203.db2.gz XXOXJQFCQZDBOZ-UHFFFAOYSA-N -1 3 369.421 2.807 20 30 FFEDHM C=CC[C@H](CC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000281321580 511803392 /nfs/dbraw/zinc/80/33/92/511803392.db2.gz LHBPYCLCPRENQA-LBPRGKRZSA-N -1 3 355.460 2.933 20 30 FFEDHM C[C@H](NC(=O)[C@H](C)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1cc2ccccc2o1 ZINC000329429722 512044495 /nfs/dbraw/zinc/04/44/95/512044495.db2.gz JXPIHASIQWHVAU-OBJOEFQTSA-N -1 3 370.409 2.915 20 30 FFEDHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CCC2 ZINC000367930951 512729282 /nfs/dbraw/zinc/72/92/82/512729282.db2.gz MKCUXTJPGHTDLJ-ZDUSSCGKSA-N -1 3 351.428 2.818 20 30 FFEDHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000440073117 513241001 /nfs/dbraw/zinc/24/10/01/513241001.db2.gz DSRLYJNXUUKTNB-STQMWFEESA-N -1 3 355.891 2.610 20 30 FFEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3c2cccc3C#N)cc1 ZINC000421962408 513494231 /nfs/dbraw/zinc/49/42/31/513494231.db2.gz GTJCJQXLUFDISX-UHFFFAOYSA-N -1 3 369.446 2.913 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c(Cl)c1 ZINC000435425555 513579300 /nfs/dbraw/zinc/57/93/00/513579300.db2.gz DHBIJTLDJCUWDH-UHFFFAOYSA-N -1 3 356.856 2.803 20 30 FFEDHM Cn1c(C[N-]S(=O)(=O)c2ccc(C#N)s2)nc2cc(Cl)ccc21 ZINC000435424640 513580168 /nfs/dbraw/zinc/58/01/68/513580168.db2.gz WLLVEKMXJLCHAX-UHFFFAOYSA-N -1 3 366.855 2.638 20 30 FFEDHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435427106 513581893 /nfs/dbraw/zinc/58/18/93/513581893.db2.gz LDJMBHSLADGRRP-UHFFFAOYSA-N -1 3 350.465 2.928 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOCCc2ccccc2)s1 ZINC000435432938 513584790 /nfs/dbraw/zinc/58/47/90/513584790.db2.gz LNDOMLVTMIBJBV-UHFFFAOYSA-N -1 3 350.465 2.547 20 30 FFEDHM COc1ccc(COCCC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435448553 513594573 /nfs/dbraw/zinc/59/45/73/513594573.db2.gz XVCVLKHBKKJLKL-UHFFFAOYSA-N -1 3 366.464 2.514 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000435598867 513631556 /nfs/dbraw/zinc/63/15/56/513631556.db2.gz QHWSKYFNNSNTGW-JOYOIKCWSA-N -1 3 366.302 2.770 20 30 FFEDHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000451348785 513692824 /nfs/dbraw/zinc/69/28/24/513692824.db2.gz ALMZXNRODZSBHU-SNVBAGLBSA-N -1 3 367.862 2.687 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000416343194 513722582 /nfs/dbraw/zinc/72/25/82/513722582.db2.gz RAEUNQGHCOEPJG-SFHVURJKSA-N -1 3 369.446 2.737 20 30 FFEDHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)no1 ZINC000451500186 513791681 /nfs/dbraw/zinc/79/16/81/513791681.db2.gz MZPLLPNVGJIPEV-UHFFFAOYSA-N -1 3 368.846 2.565 20 30 FFEDHM N#Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OC(F)(F)F ZINC000442935940 513819657 /nfs/dbraw/zinc/81/96/57/513819657.db2.gz VVWBOQWSYKZJLJ-UHFFFAOYSA-N -1 3 368.227 2.718 20 30 FFEDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C12CCC2 ZINC000416556244 513832524 /nfs/dbraw/zinc/83/25/24/513832524.db2.gz FMPHIPKTKFBBHX-KGLIPLIRSA-N -1 3 374.384 2.813 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000443087474 513868279 /nfs/dbraw/zinc/86/82/79/513868279.db2.gz KACCUCHHCVOECT-UHFFFAOYSA-N -1 3 357.391 2.824 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H](O)C(C)C ZINC000416626787 513874466 /nfs/dbraw/zinc/87/44/66/513874466.db2.gz QJTYCGDHFPGMRV-OCCSQVGLSA-N -1 3 364.389 2.651 20 30 FFEDHM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c([O-])c1C ZINC000436625992 513922234 /nfs/dbraw/zinc/92/22/34/513922234.db2.gz GYWPNKDBMQLXOY-GOSISDBHSA-N -1 3 363.417 2.806 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000443365491 513951040 /nfs/dbraw/zinc/95/10/40/513951040.db2.gz CUYCNRSOEJKOEL-OAVHHTNSSA-N -1 3 360.410 2.929 20 30 FFEDHM COc1cc(-c2noc(COc3ccc(C#N)cc3OC)n2)ccc1[O-] ZINC000436783946 513979892 /nfs/dbraw/zinc/97/98/92/513979892.db2.gz JGKJAUQNSJXIRD-UHFFFAOYSA-N -1 3 353.334 2.910 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1F ZINC000427130499 514125221 /nfs/dbraw/zinc/12/52/21/514125221.db2.gz JAKJOEIVZIQWRC-UHFFFAOYSA-N -1 3 368.773 2.923 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420712005 514255057 /nfs/dbraw/zinc/25/50/57/514255057.db2.gz QMBJAGTYRRPYIS-QMTHXVAHSA-N -1 3 365.373 2.687 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000428041018 514384844 /nfs/dbraw/zinc/38/48/44/514384844.db2.gz YZLFAOJNAJVDAQ-INIZCTEOSA-N -1 3 352.438 2.640 20 30 FFEDHM CC(C)C[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2cccnc2C#N)ccn1 ZINC000428267309 514437031 /nfs/dbraw/zinc/43/70/31/514437031.db2.gz VTOBKMYLPYOXOK-CQSZACIVSA-N -1 3 374.466 2.640 20 30 FFEDHM CC(C)(C)c1cccc(OCC[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428267183 514437595 /nfs/dbraw/zinc/43/75/95/514437595.db2.gz NICVIDLULGDNKM-UHFFFAOYSA-N -1 3 359.451 2.608 20 30 FFEDHM Cc1ccc(C2(C[N-]S(=O)(=O)c3cccnc3C#N)CCC2)cc1C ZINC000433350076 514467114 /nfs/dbraw/zinc/46/71/14/514467114.db2.gz DQZCUGJFZOEMOI-UHFFFAOYSA-N -1 3 355.463 2.970 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(O)cc3[O-])C2)c(F)c1 ZINC000439061541 514488698 /nfs/dbraw/zinc/48/86/98/514488698.db2.gz TZLMVIIFYLNXAR-ZDUSSCGKSA-N -1 3 355.369 2.507 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000439366664 514538732 /nfs/dbraw/zinc/53/87/32/514538732.db2.gz UROOJLKRWIXXFA-LLVKDONJSA-N -1 3 355.435 2.743 20 30 FFEDHM CCn1cc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)nc1C ZINC000502442519 514651975 /nfs/dbraw/zinc/65/19/75/514651975.db2.gz UTGAMLOOMMXTSR-UHFFFAOYSA-N -1 3 371.384 2.560 20 30 FFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000508098772 514668428 /nfs/dbraw/zinc/66/84/28/514668428.db2.gz WYJLYIYTHOFNKD-CQSZACIVSA-N -1 3 357.457 2.525 20 30 FFEDHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)cc1 ZINC000508125106 514678802 /nfs/dbraw/zinc/67/88/02/514678802.db2.gz LUQMZWOLTZPMBM-UHFFFAOYSA-N -1 3 366.446 2.969 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCCC[C@H]1C ZINC000475540022 514707884 /nfs/dbraw/zinc/70/78/84/514707884.db2.gz AFVTZKCFDRQOOQ-CHWSQXEVSA-N -1 3 355.891 2.753 20 30 FFEDHM CCc1cc(=O)[n-]c(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000471003832 514710842 /nfs/dbraw/zinc/71/08/42/514710842.db2.gz AUNUPZNEXDFMNU-QGZVFWFLSA-N -1 3 371.872 2.780 20 30 FFEDHM N#C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@]12C(=O)Nc1ccccc12 ZINC000509097330 515022433 /nfs/dbraw/zinc/02/24/33/515022433.db2.gz QTGPBZULNNODOW-WYRIXSBYSA-N -1 3 355.344 2.516 20 30 FFEDHM C=CCN(CC=C)[C@H](CNC(=O)N=c1nc(SC)[n-]s1)C(C)C ZINC000476654959 515144168 /nfs/dbraw/zinc/14/41/68/515144168.db2.gz AAWNMFWWDHOYOE-GFCCVEGCSA-N -1 3 355.533 2.502 20 30 FFEDHM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000462704858 515201029 /nfs/dbraw/zinc/20/10/29/515201029.db2.gz UVNFSIHTTAOCES-OLZOCXBDSA-N -1 3 362.373 2.813 20 30 FFEDHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000485837521 515210556 /nfs/dbraw/zinc/21/05/56/515210556.db2.gz CALQYLNUXDEDPN-LLVKDONJSA-N -1 3 362.407 2.540 20 30 FFEDHM C=CCC[C@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(=O)OCC ZINC000456626126 515295750 /nfs/dbraw/zinc/29/57/50/515295750.db2.gz KUKJSXZMWMQXIV-HNNXBMFYSA-N -1 3 360.385 2.603 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)cn1 ZINC000509746943 515310458 /nfs/dbraw/zinc/31/04/58/515310458.db2.gz RYQYQHRSXYGHQZ-CQSZACIVSA-N -1 3 355.341 2.925 20 30 FFEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000509964592 515382855 /nfs/dbraw/zinc/38/28/55/515382855.db2.gz WBPXLPDNFTUEOE-UHFFFAOYSA-N -1 3 373.409 2.699 20 30 FFEDHM CCSCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000499734132 515433285 /nfs/dbraw/zinc/43/32/85/515433285.db2.gz QBZHWLVTTUOSPB-UHFFFAOYSA-N -1 3 352.403 2.999 20 30 FFEDHM N#Cc1ccc(OC2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)cc1 ZINC000459344093 515485569 /nfs/dbraw/zinc/48/55/69/515485569.db2.gz UIGUHHSCJQBVJU-UHFFFAOYSA-N -1 3 350.422 2.975 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000469057832 515650263 /nfs/dbraw/zinc/65/02/63/515650263.db2.gz XFFZVIVPXNRGPG-SNVBAGLBSA-N -1 3 351.653 2.929 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N=c1cc2ccc(Br)cn2[n-]1)OCC ZINC000511313373 515861099 /nfs/dbraw/zinc/86/10/99/515861099.db2.gz DVDWSXSNPCXTFF-CYBMUJFWSA-N -1 3 352.232 2.829 20 30 FFEDHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1C)c1ccccc1 ZINC000506661929 515948135 /nfs/dbraw/zinc/94/81/35/515948135.db2.gz PQJNNOMEOYIEMD-MRXNPFEDSA-N -1 3 358.419 2.565 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483566985 516134917 /nfs/dbraw/zinc/13/49/17/516134917.db2.gz IWRCUFCWRXFIIT-UHFFFAOYSA-N -1 3 366.347 2.817 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483566985 516134925 /nfs/dbraw/zinc/13/49/25/516134925.db2.gz IWRCUFCWRXFIIT-UHFFFAOYSA-N -1 3 366.347 2.817 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483566985 516134935 /nfs/dbraw/zinc/13/49/35/516134935.db2.gz IWRCUFCWRXFIIT-UHFFFAOYSA-N -1 3 366.347 2.817 20 30 FFEDHM C=CCCCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000474679930 516152017 /nfs/dbraw/zinc/15/20/17/516152017.db2.gz RDHLNKJUFCLJFO-UHFFFAOYSA-N -1 3 368.480 2.906 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488442769 516226499 /nfs/dbraw/zinc/22/64/99/516226499.db2.gz FUOXZQCGVAVDAO-TZMCWYRMSA-N -1 3 372.874 2.582 20 30 FFEDHM CC(C)SCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557854075 516473176 /nfs/dbraw/zinc/47/31/76/516473176.db2.gz BUGUGQKXHDSFFG-UHFFFAOYSA-N -1 3 363.302 2.741 20 30 FFEDHM C=CCCCCCN(C)C(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000523543019 516501938 /nfs/dbraw/zinc/50/19/38/516501938.db2.gz UKLCTHHAGQUQBZ-UHFFFAOYSA-N -1 3 370.453 2.730 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c(F)c1 ZINC000531631201 516563397 /nfs/dbraw/zinc/56/33/97/516563397.db2.gz XXZURNUUSDVJEI-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1C1CCOCC1 ZINC000528920639 516797747 /nfs/dbraw/zinc/79/77/47/516797747.db2.gz PVLPQHPPQNSDFM-MRXNPFEDSA-N -1 3 352.394 2.504 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nn1C1CCOCC1 ZINC000528922502 516799393 /nfs/dbraw/zinc/79/93/93/516799393.db2.gz ZUBKBVWRTDXHEK-QGZVFWFLSA-N -1 3 366.421 2.813 20 30 FFEDHM Cc1nnc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2)o1 ZINC000544549252 516808923 /nfs/dbraw/zinc/80/89/23/516808923.db2.gz QRPWVSLAEQJERF-HNNXBMFYSA-N -1 3 362.393 2.853 20 30 FFEDHM C=CCOc1cccnc1-c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000544995242 517014852 /nfs/dbraw/zinc/01/48/52/517014852.db2.gz MUFQBWYWXPXELK-UHFFFAOYSA-N -1 3 372.406 2.735 20 30 FFEDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000532756061 517131699 /nfs/dbraw/zinc/13/16/99/517131699.db2.gz SMQMNFKOFZKUIL-UHFFFAOYSA-N -1 3 362.426 2.962 20 30 FFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000545353712 517194220 /nfs/dbraw/zinc/19/42/20/517194220.db2.gz UVJPGGNPLUTINR-JTQLQIEISA-N -1 3 363.233 2.990 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc2n[nH]cc2c1 ZINC000552381635 517232316 /nfs/dbraw/zinc/23/23/16/517232316.db2.gz GIKALSFLLVYJKX-GFCCVEGCSA-N -1 3 363.421 2.962 20 30 FFEDHM CCc1ccc([O-])c(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000537638030 517274025 /nfs/dbraw/zinc/27/40/25/517274025.db2.gz FESVBRYUVPWWRZ-OAHLLOKOSA-N -1 3 370.405 2.975 20 30 FFEDHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000556176607 517301458 /nfs/dbraw/zinc/30/14/58/517301458.db2.gz AXTXYVHFIXVJIQ-JOCHJYFZSA-N -1 3 368.867 2.891 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](c2cccs2)C2(CO)CCC2)CCC1 ZINC000556311705 517364127 /nfs/dbraw/zinc/36/41/27/517364127.db2.gz QBTDOVQOWHCYLF-CQSZACIVSA-N -1 3 354.497 2.565 20 30 FFEDHM C[C@@]1(c2cccc(-c3noc(-c4ccc(CC#N)cc4)n3)c2)NC(=O)[N-]C1=O ZINC000545796577 517370436 /nfs/dbraw/zinc/37/04/36/517370436.db2.gz DNTBZSVGKMLSIM-FQEVSTJZSA-N -1 3 373.372 2.524 20 30 FFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000560057462 517555261 /nfs/dbraw/zinc/55/52/61/517555261.db2.gz DAZRTHIGZFNVMS-UHFFFAOYSA-N -1 3 368.336 2.738 20 30 FFEDHM CN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1(C#N)CCC1 ZINC000542501999 517596899 /nfs/dbraw/zinc/59/68/99/517596899.db2.gz FOULOBVOXXQCCI-UHFFFAOYSA-N -1 3 365.311 2.945 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)c1C#N ZINC000527271577 517608216 /nfs/dbraw/zinc/60/82/16/517608216.db2.gz VGCXJZAMDHSAKR-ZDUSSCGKSA-N -1 3 364.434 2.864 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc2c(s1)CCC2 ZINC000563527609 517962747 /nfs/dbraw/zinc/96/27/47/517962747.db2.gz JHCROHWYALMZGZ-SECBINFHSA-N -1 3 351.428 2.682 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(OC(F)(F)F)cc1 ZINC000530877061 518026077 /nfs/dbraw/zinc/02/60/77/518026077.db2.gz ABPSFWVJLHTRGC-AWEZNQCLSA-N -1 3 361.283 2.851 20 30 FFEDHM N#CC(=C([O-])c1ccc2n[nH]c(=O)n2c1)c1nc2ccccc2n1C(F)F ZINC000575855597 518312785 /nfs/dbraw/zinc/31/27/85/518312785.db2.gz KKZDBYGFBYERSH-JTQLQIEISA-N -1 3 368.303 2.670 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C2CC2)s1 ZINC000576778425 518758031 /nfs/dbraw/zinc/75/80/31/518758031.db2.gz ACQVGNLIMJQNHK-UHFFFAOYSA-N -1 3 358.448 2.783 20 30 FFEDHM N#C[C@@]1(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC12CCCC2 ZINC000577348503 519033744 /nfs/dbraw/zinc/03/37/44/519033744.db2.gz FLPNJNHJGKILED-OAQYLSRUSA-N -1 3 367.449 2.587 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(OC)ccc1Br ZINC000577600680 519161269 /nfs/dbraw/zinc/16/12/69/519161269.db2.gz OQTVIYHDXLGHIA-NSHDSACASA-N -1 3 361.261 2.569 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)c(Cl)cc1F ZINC000583506699 519284998 /nfs/dbraw/zinc/28/49/98/519284998.db2.gz WSGSCKAUUGLKHA-UHFFFAOYSA-N -1 3 366.801 2.820 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000577913507 519319196 /nfs/dbraw/zinc/31/91/96/519319196.db2.gz MVXMKDXQFFCKLF-INIZCTEOSA-N -1 3 350.827 2.878 20 30 FFEDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000616437480 520015593 /nfs/dbraw/zinc/01/55/93/520015593.db2.gz SGQLDWOXAATORE-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM Cn1cc(Br)c(=NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[n-]1 ZINC000603042373 520043404 /nfs/dbraw/zinc/04/34/04/520043404.db2.gz GPIYPWPYJHVSPA-UHFFFAOYSA-N -1 3 374.242 2.673 20 30 FFEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000594706785 520102774 /nfs/dbraw/zinc/10/27/74/520102774.db2.gz WOITUIQSLBKTME-KRWDZBQOSA-N -1 3 351.472 2.937 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CC[C@H](O)CC1 ZINC000594766336 520144030 /nfs/dbraw/zinc/14/40/30/520144030.db2.gz UHFNMXXVWRRECG-JOCQHMNTSA-N -1 3 350.465 2.663 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1C ZINC000594770842 520147696 /nfs/dbraw/zinc/14/76/96/520147696.db2.gz PLCXTQFTFFZZRU-QMTHXVAHSA-N -1 3 350.465 2.785 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@@H](O)C(F)F ZINC000594777235 520150284 /nfs/dbraw/zinc/15/02/84/520150284.db2.gz PIOPGMVMWLTUCO-DGCLKSJQSA-N -1 3 374.434 2.764 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)CC(F)F ZINC000592067124 520162961 /nfs/dbraw/zinc/16/29/61/520162961.db2.gz MZGLLUVQUFMKOZ-MRVPVSSYSA-N -1 3 367.215 2.890 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)CC(F)F ZINC000592066800 520163130 /nfs/dbraw/zinc/16/31/30/520163130.db2.gz FYRAVJAYYLKDAV-MRVPVSSYSA-N -1 3 367.215 2.890 20 30 FFEDHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000597684645 520174522 /nfs/dbraw/zinc/17/45/22/520174522.db2.gz MVGNCSYSBWVHJO-CYBMUJFWSA-N -1 3 355.419 2.674 20 30 FFEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C ZINC000609106514 520192288 /nfs/dbraw/zinc/19/22/88/520192288.db2.gz GRMOILJJHWCYKG-UHFFFAOYSA-N -1 3 364.398 2.832 20 30 FFEDHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000600668312 520385851 /nfs/dbraw/zinc/38/58/51/520385851.db2.gz NPOMOAQSDDLTAL-INIZCTEOSA-N -1 3 354.447 2.529 20 30 FFEDHM CC(C)(C)OC(=O)C1(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)CCC1 ZINC000595395521 520445574 /nfs/dbraw/zinc/44/55/74/520445574.db2.gz OKZDEIQSPUXCML-UHFFFAOYSA-N -1 3 370.515 2.892 20 30 FFEDHM CC(C)(C)OC(=O)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)C1CCC1 ZINC000595415458 520455974 /nfs/dbraw/zinc/45/59/74/520455974.db2.gz BDMVSAWGAFYTHV-GFCCVEGCSA-N -1 3 370.496 2.656 20 30 FFEDHM Cc1nc([N-]C(=O)[C@H](C)Oc2cccc(C)c2)n(-c2ccc(C#N)cc2)n1 ZINC000610110494 520543936 /nfs/dbraw/zinc/54/39/36/520543936.db2.gz YVESBWRQIGADDR-AWEZNQCLSA-N -1 3 361.405 2.584 20 30 FFEDHM C=CCc1cc(C(=O)Nc2nc(C)[n-]c2C(=O)OCC)cc(OC)c1OC ZINC000610108583 520544748 /nfs/dbraw/zinc/54/47/48/520544748.db2.gz DYUAAUYKUGRDQW-UHFFFAOYSA-N -1 3 373.409 2.893 20 30 FFEDHM C=CCc1cc(C(=O)Nc2[n-]c(C)nc2C(=O)OCC)cc(OC)c1OC ZINC000610108583 520544754 /nfs/dbraw/zinc/54/47/54/520544754.db2.gz DYUAAUYKUGRDQW-UHFFFAOYSA-N -1 3 373.409 2.893 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000610339010 520642421 /nfs/dbraw/zinc/64/24/21/520642421.db2.gz HDFAIVJIJJKRSA-LLVKDONJSA-N -1 3 361.398 2.695 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000598622749 520747432 /nfs/dbraw/zinc/74/74/32/520747432.db2.gz QQBAASYZAKQZAU-QMMMGPOBSA-N -1 3 365.199 2.644 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@](C)(C#N)C3)nc(=O)c2c1C ZINC000595837977 520758592 /nfs/dbraw/zinc/75/85/92/520758592.db2.gz ORJJWCVDSVTGNG-ZMZPIMSZSA-N -1 3 374.466 2.766 20 30 FFEDHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000610739552 520823395 /nfs/dbraw/zinc/82/33/95/520823395.db2.gz CCNBNWJPQDXMSY-CMPLNLGQSA-N -1 3 362.373 2.670 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3oc(C4CC4)nc3C)sc2C1 ZINC000598890963 520905126 /nfs/dbraw/zinc/90/51/26/520905126.db2.gz MIAXKVAHTXFIMX-UHFFFAOYSA-N -1 3 370.434 2.951 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F ZINC000611019426 520949254 /nfs/dbraw/zinc/94/92/54/520949254.db2.gz BORASJLYMCVMLB-CQSZACIVSA-N -1 3 372.780 2.502 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](Cn1cccn1)c1ccccc1 ZINC000611022976 520950700 /nfs/dbraw/zinc/95/07/00/520950700.db2.gz YLECLKSUYHBBJN-QGZVFWFLSA-N -1 3 370.409 2.614 20 30 FFEDHM C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611021812 520951096 /nfs/dbraw/zinc/95/10/96/520951096.db2.gz IMRDJHWLYUZIFD-BLLLJJGKSA-N -1 3 364.854 2.655 20 30 FFEDHM N#Cc1cccc(CN2CCC(N=c3nc(C(F)(F)F)[n-]s3)CC2)c1 ZINC000593516458 521044496 /nfs/dbraw/zinc/04/44/96/521044496.db2.gz ZTPMEWXWEWXWBZ-UHFFFAOYSA-N -1 3 367.400 2.927 20 30 FFEDHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593535676 521059792 /nfs/dbraw/zinc/05/97/92/521059792.db2.gz CPDNBVUETPPABI-GFCCVEGCSA-N -1 3 350.465 2.928 20 30 FFEDHM CC(C)(C)OC(=O)C(C)(C)CC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593611882 521106284 /nfs/dbraw/zinc/10/62/84/521106284.db2.gz WQZYRFDYUIECFY-UHFFFAOYSA-N -1 3 358.485 2.656 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000618606434 521141262 /nfs/dbraw/zinc/14/12/62/521141262.db2.gz BDBXYMFAOQMOJG-LBPRGKRZSA-N -1 3 350.362 2.943 20 30 FFEDHM N#Cc1cccc(CN2CCC([N-]S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000593668026 521141594 /nfs/dbraw/zinc/14/15/94/521141594.db2.gz CEJMJHAMIVBGGC-UHFFFAOYSA-N -1 3 373.453 2.640 20 30 FFEDHM CC(C)C[C@@H](C#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000611415022 521143977 /nfs/dbraw/zinc/14/39/77/521143977.db2.gz ZVRROOLXXNSJFW-ZDUSSCGKSA-N -1 3 372.450 2.698 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)c(F)c1 ZINC000618715105 521194483 /nfs/dbraw/zinc/19/44/83/521194483.db2.gz AKNYLWSIAOHOFM-KRWDZBQOSA-N -1 3 373.409 2.622 20 30 FFEDHM N#Cc1cc(F)cc(C2(C(=O)NCc3cc(=O)[n-]c(C4CCC4)n3)CC2)c1 ZINC000602194686 521202617 /nfs/dbraw/zinc/20/26/17/521202617.db2.gz LIJSDCVRYUPZJW-UHFFFAOYSA-N -1 3 366.396 2.808 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594069587 521387591 /nfs/dbraw/zinc/38/75/91/521387591.db2.gz CAPLQGAMWFUJCA-PKOBYXMFSA-N -1 3 357.454 2.672 20 30 FFEDHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1OC ZINC000619462804 521581318 /nfs/dbraw/zinc/58/13/18/521581318.db2.gz QHPXYNMWNNEWLH-UHFFFAOYSA-N -1 3 350.371 2.710 20 30 FFEDHM CSc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 ZINC000597240939 521592334 /nfs/dbraw/zinc/59/23/34/521592334.db2.gz ARDFYNYXMRVGSC-INIZCTEOSA-N -1 3 367.474 2.964 20 30 FFEDHM C=CCc1ccc(OCC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c(OC)c1 ZINC000636114097 522743953 /nfs/dbraw/zinc/74/39/53/522743953.db2.gz MRJSODIHWJZAQB-UHFFFAOYSA-N -1 3 371.437 2.658 20 30 FFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000625325882 523352649 /nfs/dbraw/zinc/35/26/49/523352649.db2.gz JQKFTSXPXYPOOJ-UHFFFAOYSA-N -1 3 374.890 2.589 20 30 FFEDHM CC(C)(C#N)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735572520 598833356 /nfs/dbraw/zinc/83/33/56/598833356.db2.gz XBDLAFWTFOEZGN-UHFFFAOYSA-N -1 3 352.423 2.761 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C[C@H](C)CCC ZINC000735425768 598834052 /nfs/dbraw/zinc/83/40/52/598834052.db2.gz FZVXGFYPWXUTHW-CQSZACIVSA-N -1 3 363.487 2.621 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C[C@H](C)CCC ZINC000735425768 598834054 /nfs/dbraw/zinc/83/40/54/598834054.db2.gz FZVXGFYPWXUTHW-CQSZACIVSA-N -1 3 363.487 2.621 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735974527 598858037 /nfs/dbraw/zinc/85/80/37/598858037.db2.gz LIOBDPXVAHKDOY-LLVKDONJSA-N -1 3 350.338 2.513 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735974527 598858038 /nfs/dbraw/zinc/85/80/38/598858038.db2.gz LIOBDPXVAHKDOY-LLVKDONJSA-N -1 3 350.338 2.513 20 30 FFEDHM COc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1OC(C)C ZINC000821863270 607252669 /nfs/dbraw/zinc/25/26/69/607252669.db2.gz JJZRXJWLIKKYBC-UHFFFAOYSA-N -1 3 366.425 2.786 20 30 FFEDHM COc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1OC(C)C ZINC000821863270 607252670 /nfs/dbraw/zinc/25/26/70/607252670.db2.gz JJZRXJWLIKKYBC-UHFFFAOYSA-N -1 3 366.425 2.786 20 30 FFEDHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737474797 598915071 /nfs/dbraw/zinc/91/50/71/598915071.db2.gz SNXXFZKCAKOEED-UHFFFAOYSA-N -1 3 367.438 2.954 20 30 FFEDHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737474797 598915072 /nfs/dbraw/zinc/91/50/72/598915072.db2.gz SNXXFZKCAKOEED-UHFFFAOYSA-N -1 3 367.438 2.954 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000737718776 598916460 /nfs/dbraw/zinc/91/64/60/598916460.db2.gz MWEQNHUBSSZHMF-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000737718776 598916461 /nfs/dbraw/zinc/91/64/61/598916461.db2.gz MWEQNHUBSSZHMF-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737549001 598921347 /nfs/dbraw/zinc/92/13/47/598921347.db2.gz XJNQJLCSSUAZSU-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737549001 598921348 /nfs/dbraw/zinc/92/13/48/598921348.db2.gz XJNQJLCSSUAZSU-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM N#CCCCOc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822806936 607254854 /nfs/dbraw/zinc/25/48/54/607254854.db2.gz WMENXLMGNUPAEH-UHFFFAOYSA-N -1 3 361.409 2.673 20 30 FFEDHM N#CCCCOc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822806936 607254855 /nfs/dbraw/zinc/25/48/55/607254855.db2.gz WMENXLMGNUPAEH-UHFFFAOYSA-N -1 3 361.409 2.673 20 30 FFEDHM Cc1c(C#N)cccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822015732 607255800 /nfs/dbraw/zinc/25/58/00/607255800.db2.gz NXSAJXXXBBWZQR-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1c(C#N)cccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822015732 607255801 /nfs/dbraw/zinc/25/58/01/607255801.db2.gz NXSAJXXXBBWZQR-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM C[C@](C#N)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735503904 598969830 /nfs/dbraw/zinc/96/98/30/598969830.db2.gz KUNGWECCMCMJPJ-GOSISDBHSA-N -1 3 370.482 2.938 20 30 FFEDHM C[C@](C#N)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735503904 598969831 /nfs/dbraw/zinc/96/98/31/598969831.db2.gz KUNGWECCMCMJPJ-GOSISDBHSA-N -1 3 370.482 2.938 20 30 FFEDHM C#Cc1cccc(N(CC)CCOc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000735390693 598985282 /nfs/dbraw/zinc/98/52/82/598985282.db2.gz CBOFRKCGOUIHHU-UHFFFAOYSA-N -1 3 363.421 2.762 20 30 FFEDHM C#Cc1cccc(N(CC)CCOc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000735390693 598985284 /nfs/dbraw/zinc/98/52/84/598985284.db2.gz CBOFRKCGOUIHHU-UHFFFAOYSA-N -1 3 363.421 2.762 20 30 FFEDHM N#Cc1cccc(C=C2COCC(=Cc3cccc(-c4nnn[n-]4)c3)C2=O)c1 ZINC000737722506 599064606 /nfs/dbraw/zinc/06/46/06/599064606.db2.gz JVNGCAPXUCFKHO-MXYCIJPUSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1cccc(C=C2COCC(=Cc3cccc(-c4nn[n-]n4)c3)C2=O)c1 ZINC000737722506 599064607 /nfs/dbraw/zinc/06/46/07/599064607.db2.gz JVNGCAPXUCFKHO-MXYCIJPUSA-N -1 3 369.384 2.805 20 30 FFEDHM Fc1cc(F)c(NN=Cc2ccc(-c3nnn[n-]3)o2)c(Br)c1 ZINC000822753299 599339885 /nfs/dbraw/zinc/33/98/85/599339885.db2.gz MFKZUOFWZSFQLA-UHFFFAOYSA-N -1 3 369.129 2.946 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(O)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203315 599157463 /nfs/dbraw/zinc/15/74/63/599157463.db2.gz SYMFFYSNIXFESO-YHYXMXQVSA-N -1 3 372.388 2.963 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000737715865 599200590 /nfs/dbraw/zinc/20/05/90/599200590.db2.gz GACBGYXGMGGBEO-OLZOCXBDSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000737715865 599200591 /nfs/dbraw/zinc/20/05/91/599200591.db2.gz GACBGYXGMGGBEO-OLZOCXBDSA-N -1 3 366.331 2.759 20 30 FFEDHM C=CCOc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000819759153 599263797 /nfs/dbraw/zinc/26/37/97/599263797.db2.gz PEQCRMQKCHIKQN-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCOc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000819759153 599263799 /nfs/dbraw/zinc/26/37/99/599263799.db2.gz PEQCRMQKCHIKQN-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737011529 598419326 /nfs/dbraw/zinc/41/93/26/598419326.db2.gz VSXNRCBRYUGAIG-YFHOEESVSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737011529 598419327 /nfs/dbraw/zinc/41/93/27/598419327.db2.gz VSXNRCBRYUGAIG-YFHOEESVSA-N -1 3 350.378 2.788 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737718965 598419900 /nfs/dbraw/zinc/41/99/00/598419900.db2.gz QRORZKMJCBUWTF-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737718965 598419901 /nfs/dbraw/zinc/41/99/01/598419901.db2.gz QRORZKMJCBUWTF-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736169722 598491845 /nfs/dbraw/zinc/49/18/45/598491845.db2.gz OMXVBRMWCJSDTG-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736169722 598491846 /nfs/dbraw/zinc/49/18/46/598491846.db2.gz OMXVBRMWCJSDTG-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C#Cc1cccc(N(C(=O)COc2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000735389644 598608338 /nfs/dbraw/zinc/60/83/38/598608338.db2.gz DWNFQRXBIOQKSM-UHFFFAOYSA-N -1 3 361.405 2.668 20 30 FFEDHM C#Cc1cccc(N(C(=O)COc2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000735389644 598608339 /nfs/dbraw/zinc/60/83/39/598608339.db2.gz DWNFQRXBIOQKSM-UHFFFAOYSA-N -1 3 361.405 2.668 20 30 FFEDHM C#CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735374121 598656103 /nfs/dbraw/zinc/65/61/03/598656103.db2.gz CKZKXQJXVDGOMX-UHFFFAOYSA-N -1 3 355.467 2.753 20 30 FFEDHM C#CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735374121 598656105 /nfs/dbraw/zinc/65/61/05/598656105.db2.gz CKZKXQJXVDGOMX-UHFFFAOYSA-N -1 3 355.467 2.753 20 30 FFEDHM CC(C)C[C@@](C)(C#N)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735756441 598686107 /nfs/dbraw/zinc/68/61/07/598686107.db2.gz OHMNAWQEFGRGRK-IBGZPJMESA-N -1 3 370.457 2.860 20 30 FFEDHM CC(C)C[C@@](C)(C#N)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735756441 598686108 /nfs/dbraw/zinc/68/61/08/598686108.db2.gz OHMNAWQEFGRGRK-IBGZPJMESA-N -1 3 370.457 2.860 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735504558 598691391 /nfs/dbraw/zinc/69/13/91/598691391.db2.gz OXOXZNXFOLSABO-NRFANRHFSA-N -1 3 374.448 2.831 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735504558 598691393 /nfs/dbraw/zinc/69/13/93/598691393.db2.gz OXOXZNXFOLSABO-NRFANRHFSA-N -1 3 374.448 2.831 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737723131 598713953 /nfs/dbraw/zinc/71/39/53/598713953.db2.gz QSLZREPXTITUPJ-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737723131 598713955 /nfs/dbraw/zinc/71/39/55/598713955.db2.gz QSLZREPXTITUPJ-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737721632 598715868 /nfs/dbraw/zinc/71/58/68/598715868.db2.gz AUFKDYKPADWZOG-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737721632 598715870 /nfs/dbraw/zinc/71/58/70/598715870.db2.gz AUFKDYKPADWZOG-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM CCCCCCCCCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821056180 599597679 /nfs/dbraw/zinc/59/76/79/599597679.db2.gz OBMRDKWKYHGWSF-UHFFFAOYSA-N -1 3 372.473 2.980 20 30 FFEDHM CCCCCCCCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821056180 599597681 /nfs/dbraw/zinc/59/76/81/599597681.db2.gz OBMRDKWKYHGWSF-UHFFFAOYSA-N -1 3 372.473 2.980 20 30 FFEDHM N#Cc1ccc([C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C(=O)[O-])cc1 ZINC000739104926 600595980 /nfs/dbraw/zinc/59/59/80/600595980.db2.gz DVNOLAMVHIYESN-OAQYLSRUSA-N -1 3 373.412 2.684 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821839859 607456495 /nfs/dbraw/zinc/45/64/95/607456495.db2.gz ZUXMBAFUAUXHMK-ALCCZGGFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821839859 607456497 /nfs/dbraw/zinc/45/64/97/607456497.db2.gz ZUXMBAFUAUXHMK-ALCCZGGFSA-N -1 3 354.341 2.919 20 30 FFEDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1cccc(Cl)c1 ZINC000823078381 607504838 /nfs/dbraw/zinc/50/48/38/607504838.db2.gz KWYXBVDBLAKSJY-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1cccc(Cl)c1 ZINC000823078381 607504839 /nfs/dbraw/zinc/50/48/39/607504839.db2.gz KWYXBVDBLAKSJY-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)NC(=O)[O-] ZINC000738738408 602925296 /nfs/dbraw/zinc/92/52/96/602925296.db2.gz FQIRTGQWYBJKBW-GFCCVEGCSA-N -1 3 351.790 2.814 20 30 FFEDHM CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)NC(=O)[O-] ZINC000738738410 602925360 /nfs/dbraw/zinc/92/53/60/602925360.db2.gz FQIRTGQWYBJKBW-LBPRGKRZSA-N -1 3 351.790 2.814 20 30 FFEDHM CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)NC(=O)[O-] ZINC000738740471 602926039 /nfs/dbraw/zinc/92/60/39/602926039.db2.gz SXOBMQUYTYZRGK-JTQLQIEISA-N -1 3 369.780 2.953 20 30 FFEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000833417137 604942315 /nfs/dbraw/zinc/94/23/15/604942315.db2.gz MXDMUGYRTYPFBW-INIZCTEOSA-N -1 3 357.454 2.756 20 30 FFEDHM C#CCOc1ccccc1CN[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833366582 605301061 /nfs/dbraw/zinc/30/10/61/605301061.db2.gz DTJAWXYEXIKAMX-OAHLLOKOSA-N -1 3 366.417 2.904 20 30 FFEDHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000822418663 606186539 /nfs/dbraw/zinc/18/65/39/606186539.db2.gz CJVMCGWRDUHGIS-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000822418663 606186540 /nfs/dbraw/zinc/18/65/40/606186540.db2.gz CJVMCGWRDUHGIS-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823551432 606205324 /nfs/dbraw/zinc/20/53/24/606205324.db2.gz QRDPABVUICIMAQ-UHFFFAOYSA-N -1 3 374.385 2.712 20 30 FFEDHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823551432 606205325 /nfs/dbraw/zinc/20/53/25/606205325.db2.gz QRDPABVUICIMAQ-UHFFFAOYSA-N -1 3 374.385 2.712 20 30 FFEDHM COc1cccc([C@@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC000821860047 606361066 /nfs/dbraw/zinc/36/10/66/606361066.db2.gz WTVLPYUHRDZNMH-SECBINFHSA-N -1 3 353.411 2.577 20 30 FFEDHM COc1cccc([C@@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC000821860047 606361068 /nfs/dbraw/zinc/36/10/68/606361068.db2.gz WTVLPYUHRDZNMH-SECBINFHSA-N -1 3 353.411 2.577 20 30 FFEDHM N#CCc1ccccc1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822815302 606945256 /nfs/dbraw/zinc/94/52/56/606945256.db2.gz OPWMFUVVZFCKRI-UHFFFAOYSA-N -1 3 363.377 2.559 20 30 FFEDHM N#CCc1ccccc1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822815302 606945257 /nfs/dbraw/zinc/94/52/57/606945257.db2.gz OPWMFUVVZFCKRI-UHFFFAOYSA-N -1 3 363.377 2.559 20 30 FFEDHM c1[nH]c2ccc(-c3nnn[n-]3)cc2c1CN=Nc1nncc2ccccc21 ZINC000819718199 607144873 /nfs/dbraw/zinc/14/48/73/607144873.db2.gz ABQZNMZFWSTOQE-UHFFFAOYSA-N -1 3 355.365 2.737 20 30 FFEDHM c1[nH]c2ccc(-c3nn[n-]n3)cc2c1CN=Nc1nncc2ccccc21 ZINC000819718199 607144875 /nfs/dbraw/zinc/14/48/75/607144875.db2.gz ABQZNMZFWSTOQE-UHFFFAOYSA-N -1 3 355.365 2.737 20 30 FFEDHM COc1ccc(C(C)(C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000821773060 607238343 /nfs/dbraw/zinc/23/83/43/607238343.db2.gz YRMNCPCRNKASOW-UHFFFAOYSA-N -1 3 362.393 2.663 20 30 FFEDHM COc1ccc(C(C)(C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000821773060 607238344 /nfs/dbraw/zinc/23/83/44/607238344.db2.gz YRMNCPCRNKASOW-UHFFFAOYSA-N -1 3 362.393 2.663 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826291456 607881889 /nfs/dbraw/zinc/88/18/89/607881889.db2.gz HDVZPOJPDGELOF-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM Cc1ccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826291456 607881890 /nfs/dbraw/zinc/88/18/90/607881890.db2.gz HDVZPOJPDGELOF-UHFFFAOYSA-N -1 3 351.439 2.804 20 30 FFEDHM N#CCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000826381831 607981382 /nfs/dbraw/zinc/98/13/82/607981382.db2.gz ASNBMCZFZLIMGS-UHFFFAOYSA-N -1 3 370.319 2.786 20 30 FFEDHM N#CCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000826381831 607981383 /nfs/dbraw/zinc/98/13/83/607981383.db2.gz ASNBMCZFZLIMGS-UHFFFAOYSA-N -1 3 370.319 2.786 20 30 FFEDHM C=C[C@H](CC(=O)OCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882677 607990297 /nfs/dbraw/zinc/99/02/97/607990297.db2.gz BMUOUXPBFKDDQJ-CQSZACIVSA-N -1 3 364.409 2.577 20 30 FFEDHM C=C[C@H](CC(=O)OCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882677 607990298 /nfs/dbraw/zinc/99/02/98/607990298.db2.gz BMUOUXPBFKDDQJ-CQSZACIVSA-N -1 3 364.409 2.577 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1CON=C1CCOc2ccccc21 ZINC000826184633 608150558 /nfs/dbraw/zinc/15/05/58/608150558.db2.gz FEMLUDNEFHZZOL-UHFFFAOYSA-N -1 3 351.366 2.579 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1CON=C1CCOc2ccccc21 ZINC000826184633 608150559 /nfs/dbraw/zinc/15/05/59/608150559.db2.gz FEMLUDNEFHZZOL-UHFFFAOYSA-N -1 3 351.366 2.579 20 30 FFEDHM N#Cc1cc(NC(=O)C(F)(F)c2ccccc2F)ccc1-c1nnn[n-]1 ZINC000826383995 608308542 /nfs/dbraw/zinc/30/85/42/608308542.db2.gz AZXLBEFCAJUQPQ-UHFFFAOYSA-N -1 3 358.283 2.608 20 30 FFEDHM N#Cc1cc(NC(=O)C(F)(F)c2ccccc2F)ccc1-c1nn[n-]n1 ZINC000826383995 608308544 /nfs/dbraw/zinc/30/85/44/608308544.db2.gz AZXLBEFCAJUQPQ-UHFFFAOYSA-N -1 3 358.283 2.608 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384818 608480357 /nfs/dbraw/zinc/48/03/57/608480357.db2.gz KVFDAWRGTWTRTH-UHFFFAOYSA-N -1 3 356.389 2.668 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384818 608480359 /nfs/dbraw/zinc/48/03/59/608480359.db2.gz KVFDAWRGTWTRTH-UHFFFAOYSA-N -1 3 356.389 2.668 20 30 FFEDHM COc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(F)c1 ZINC000826188344 608539130 /nfs/dbraw/zinc/53/91/30/608539130.db2.gz ULYOWKDYPHLNBS-UHFFFAOYSA-N -1 3 361.768 2.899 20 30 FFEDHM COc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(F)c1 ZINC000826188344 608539132 /nfs/dbraw/zinc/53/91/32/608539132.db2.gz ULYOWKDYPHLNBS-UHFFFAOYSA-N -1 3 361.768 2.899 20 30 FFEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824394179 608750205 /nfs/dbraw/zinc/75/02/05/608750205.db2.gz WEWVHTCNOSMDDH-GFCCVEGCSA-N -1 3 373.461 2.636 20 30 FFEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824394179 608750207 /nfs/dbraw/zinc/75/02/07/608750207.db2.gz WEWVHTCNOSMDDH-GFCCVEGCSA-N -1 3 373.461 2.636 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNc2cnccc2-c2nnn[n-]2)ccc1OC ZINC000825039335 608783287 /nfs/dbraw/zinc/78/32/87/608783287.db2.gz PLLOYINGUJGJBX-ZDUSSCGKSA-N -1 3 365.397 2.563 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNc2cnccc2-c2nn[n-]n2)ccc1OC ZINC000825039335 608783289 /nfs/dbraw/zinc/78/32/89/608783289.db2.gz PLLOYINGUJGJBX-ZDUSSCGKSA-N -1 3 365.397 2.563 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(C#N)CCCCC1 ZINC000824757659 609152550 /nfs/dbraw/zinc/15/25/50/609152550.db2.gz ZPDHHLRIGMKQOW-CYBMUJFWSA-N -1 3 355.398 2.651 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1(C#N)CCCCC1 ZINC000824757659 609152551 /nfs/dbraw/zinc/15/25/51/609152551.db2.gz ZPDHHLRIGMKQOW-CYBMUJFWSA-N -1 3 355.398 2.651 20 30 FFEDHM N#CC1(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000826380264 609157234 /nfs/dbraw/zinc/15/72/34/609157234.db2.gz STEYQSVNLLLQAB-UHFFFAOYSA-N -1 3 357.439 2.727 20 30 FFEDHM N#CC1(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000826380264 609157236 /nfs/dbraw/zinc/15/72/36/609157236.db2.gz STEYQSVNLLLQAB-UHFFFAOYSA-N -1 3 357.439 2.727 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000826191012 609269845 /nfs/dbraw/zinc/26/98/45/609269845.db2.gz UJYLJNGOOWMBGC-VMPITWQZSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000826191012 609269846 /nfs/dbraw/zinc/26/98/46/609269846.db2.gz UJYLJNGOOWMBGC-VMPITWQZSA-N -1 3 354.341 2.919 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824385339 609457617 /nfs/dbraw/zinc/45/76/17/609457617.db2.gz QUNBSHDDCOLJQW-SNVBAGLBSA-N -1 3 353.411 2.841 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824385339 609457619 /nfs/dbraw/zinc/45/76/19/609457619.db2.gz QUNBSHDDCOLJQW-SNVBAGLBSA-N -1 3 353.411 2.841 20 30 FFEDHM CC(=O)Nc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000823999865 609470854 /nfs/dbraw/zinc/47/08/54/609470854.db2.gz KLGSHTJMFQRSPC-UHFFFAOYSA-N -1 3 355.789 2.925 20 30 FFEDHM CC(=O)Nc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000823999865 609470855 /nfs/dbraw/zinc/47/08/55/609470855.db2.gz KLGSHTJMFQRSPC-UHFFFAOYSA-N -1 3 355.789 2.925 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000825553246 609488265 /nfs/dbraw/zinc/48/82/65/609488265.db2.gz OVHVUOUHTWGJKG-UHFFFAOYSA-N -1 3 363.381 2.919 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000825553246 609488267 /nfs/dbraw/zinc/48/82/67/609488267.db2.gz OVHVUOUHTWGJKG-UHFFFAOYSA-N -1 3 363.381 2.919 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2ccc(C#N)s2)cc1-c1nnn[n-]1 ZINC000825553163 609491010 /nfs/dbraw/zinc/49/10/10/609491010.db2.gz KHNLRNWYNKLRAH-UHFFFAOYSA-N -1 3 369.410 2.980 20 30 FFEDHM CCOC(=O)Nc1ccc(NCc2ccc(C#N)s2)cc1-c1nn[n-]n1 ZINC000825553163 609491012 /nfs/dbraw/zinc/49/10/12/609491012.db2.gz KHNLRNWYNKLRAH-UHFFFAOYSA-N -1 3 369.410 2.980 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cnccc1C ZINC000823909622 609498447 /nfs/dbraw/zinc/49/84/47/609498447.db2.gz LCNUNOXPMUDGIQ-FPLPWBNLSA-N -1 3 360.421 2.798 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cnccc1C ZINC000823909622 609498448 /nfs/dbraw/zinc/49/84/48/609498448.db2.gz LCNUNOXPMUDGIQ-FPLPWBNLSA-N -1 3 360.421 2.798 20 30 FFEDHM CC1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000824779326 609561694 /nfs/dbraw/zinc/56/16/94/609561694.db2.gz UNUFYCGOMKBDSK-UHFFFAOYSA-N -1 3 355.352 2.823 20 30 FFEDHM CC1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000824779326 609561696 /nfs/dbraw/zinc/56/16/96/609561696.db2.gz UNUFYCGOMKBDSK-UHFFFAOYSA-N -1 3 355.352 2.823 20 30 FFEDHM C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000154539235 728806221 /nfs/dbraw/zinc/80/62/21/728806221.db2.gz YRJUWRLAVPHCFV-CQSZACIVSA-N -1 3 357.435 2.584 20 30 FFEDHM Cc1nc(NC(=O)c2nnc3ccccc3c2[O-])sc1SCC#N ZINC000109951937 728529870 /nfs/dbraw/zinc/52/98/70/728529870.db2.gz IDMKMXSHPACKCC-UHFFFAOYSA-N -1 3 357.420 2.556 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(F)cc(Br)c1 ZINC000125205864 728680178 /nfs/dbraw/zinc/68/01/78/728680178.db2.gz CDWQHFFTVIIFDM-GFCCVEGCSA-N -1 3 362.158 2.944 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(CCC)CC2)ccc1F ZINC000152008739 728747545 /nfs/dbraw/zinc/74/75/45/728747545.db2.gz DQZVHJRMQGMMMC-UHFFFAOYSA-N -1 3 354.447 2.600 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H](C)C2)ccc1F ZINC000186872952 729370068 /nfs/dbraw/zinc/37/00/68/729370068.db2.gz KJJPYGWWCAYOAJ-CYBMUJFWSA-N -1 3 354.447 2.552 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)[C@H]2CC)ccc1F ZINC000187429243 729375949 /nfs/dbraw/zinc/37/59/49/729375949.db2.gz YUPJJEDIENESGC-IUODEOHRSA-N -1 3 354.447 2.551 20 30 FFEDHM C#CCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000192533709 729451880 /nfs/dbraw/zinc/45/18/80/729451880.db2.gz IMVCJLWIJALZBE-JTQLQIEISA-N -1 3 373.459 2.616 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1 ZINC000862331408 730688841 /nfs/dbraw/zinc/68/88/41/730688841.db2.gz FIPHDKMKBCOIJZ-STQMWFEESA-N -1 3 361.772 2.633 20 30 FFEDHM Cc1cccn2c(=O)c(C([O-])=C(C#N)c3nc(C4CC4)cs3)cnc12 ZINC000647378627 730739681 /nfs/dbraw/zinc/73/96/81/730739681.db2.gz MDVWZAJMNWWEJL-LBPRGKRZSA-N -1 3 350.403 2.827 20 30 FFEDHM C=CCC1(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCOCC1 ZINC000870810491 731560951 /nfs/dbraw/zinc/56/09/51/731560951.db2.gz TYQQSDZKPFXQKH-UHFFFAOYSA-N -1 3 371.430 2.727 20 30 FFEDHM O=C(Nc1cc(F)ccc1SCC(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000878773678 732591727 /nfs/dbraw/zinc/59/17/27/732591727.db2.gz ITUICYQYUAKJCR-SECBINFHSA-N -1 3 363.361 2.685 20 30 FFEDHM Cc1cc(C)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(Br)c1 ZINC000878972391 732625034 /nfs/dbraw/zinc/62/50/34/732625034.db2.gz GOKDTMHLOYFNAS-LLVKDONJSA-N -1 3 356.220 2.568 20 30 FFEDHM CC1(C)Cc2ccc(Cl)c(NC(=O)N[C@@H]3CCCN([O-])C3=O)c2O1 ZINC000879459739 732705655 /nfs/dbraw/zinc/70/56/55/732705655.db2.gz ICQSOEHERFRXOI-LLVKDONJSA-N -1 3 353.806 2.555 20 30 FFEDHM O=C(Nc1cccc(Br)c1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000879509568 732714197 /nfs/dbraw/zinc/71/41/97/732714197.db2.gz PNQROUWZBXXWRH-SECBINFHSA-N -1 3 362.611 2.604 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)ccc1F ZINC000733116144 734791003 /nfs/dbraw/zinc/79/10/03/734791003.db2.gz ZLMLVQHNXVHHHE-DVOMOZLQSA-N -1 3 368.474 2.845 20 30 FFEDHM O=C1C=COC2(CCN(Cc3cccc([O-])c3Br)CC2)C1 ZINC000897599720 735253351 /nfs/dbraw/zinc/25/33/51/735253351.db2.gz SSSWDKQTXSZJMJ-UHFFFAOYSA-N -1 3 352.228 2.992 20 30 FFEDHM O=C(C[C@@H]1CCS(=O)(=O)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380074 735772383 /nfs/dbraw/zinc/77/23/83/735772383.db2.gz MBJYXXXYGSLDQN-VIFPVBQESA-N -1 3 352.239 2.536 20 30 FFEDHM COc1cc(C(=O)/C=C/c2c3c(nn2C)CCSC3)c(OC)cc1[O-] ZINC000901485419 735784615 /nfs/dbraw/zinc/78/46/15/735784615.db2.gz JDKLARZVRYXAOA-SNAWJCMRSA-N -1 3 360.435 2.828 20 30 FFEDHM C=CCOC[C@H](NCc1cc(Br)c(Cl)s1)C(=O)[O-] ZINC000901808282 735842707 /nfs/dbraw/zinc/84/27/07/735842707.db2.gz CTCBNLFKZWXODK-VIFPVBQESA-N -1 3 354.653 2.909 20 30 FFEDHM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3cc(Cl)cc(C#N)c3)C2)cn1 ZINC000903411363 736088672 /nfs/dbraw/zinc/08/86/72/736088672.db2.gz LHFGZACFXCNYMA-CABCVRRESA-N -1 3 358.829 2.635 20 30 FFEDHM C#C[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000754394387 736156199 /nfs/dbraw/zinc/15/61/99/736156199.db2.gz YWODYDNSHSQCOC-AWEZNQCLSA-N -1 3 360.410 2.768 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ncc(Br)s1 ZINC000756882864 736369771 /nfs/dbraw/zinc/36/97/71/736369771.db2.gz JWZZPCCVBQGYIK-UHFFFAOYSA-N -1 3 374.285 2.749 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1nc2c(s1)CCCC2 ZINC000761266099 736715391 /nfs/dbraw/zinc/71/53/91/736715391.db2.gz DLRIHQCBOGJWFW-UHFFFAOYSA-N -1 3 363.508 2.908 20 30 FFEDHM C#CCCc1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000762010952 736782208 /nfs/dbraw/zinc/78/22/08/736782208.db2.gz SSWHMYUTBLIZOQ-UHFFFAOYSA-N -1 3 351.403 2.518 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908753411 736826741 /nfs/dbraw/zinc/82/67/41/736826741.db2.gz UXTMXWFQLQWYAO-JKSUJKDBSA-N -1 3 365.861 2.719 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc(C(C)C)ns1 ZINC000763267320 736921333 /nfs/dbraw/zinc/92/13/33/736921333.db2.gz SMXCQRJWMBHWAQ-UHFFFAOYSA-N -1 3 360.439 2.927 20 30 FFEDHM COc1cc(C=NNC(=S)Nc2ccccc2F)c([N+](=O)[O-])cc1[O-] ZINC000767057876 737288001 /nfs/dbraw/zinc/28/80/01/737288001.db2.gz OWZRNDVNRPTORE-UHFFFAOYSA-N -1 3 364.358 2.769 20 30 FFEDHM C=CC[C@H]1N(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CCCC1(C)C ZINC000768099003 737397671 /nfs/dbraw/zinc/39/76/71/737397671.db2.gz SIBVHNRETVFNEB-MRXNPFEDSA-N -1 3 368.474 2.941 20 30 FFEDHM Cc1nc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cs1 ZINC000916320714 737696790 /nfs/dbraw/zinc/69/67/90/737696790.db2.gz HMKWJSGFHAEARP-ZDUSSCGKSA-N -1 3 359.436 2.726 20 30 FFEDHM CCCNC(=S)NN=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000916358891 737698839 /nfs/dbraw/zinc/69/88/39/737698839.db2.gz XEADOLQOVIRURY-UHFFFAOYSA-N -1 3 360.277 2.761 20 30 FFEDHM [O-]c1ccc(Br)cc1C=NN1C(=S)N=NC1[C@H]1CCCO1 ZINC000916367815 737699027 /nfs/dbraw/zinc/69/90/27/737699027.db2.gz PTVBGMXUAJVLKV-LLVKDONJSA-N -1 3 369.244 2.769 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(N=Cc2cc(OC)ccc2O)cc1OC ZINC000917558718 737764477 /nfs/dbraw/zinc/76/44/77/737764477.db2.gz WMFVRQBUFBKKQM-UHFFFAOYSA-N -1 3 364.423 2.922 20 30 FFEDHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000920555753 737914487 /nfs/dbraw/zinc/91/44/87/737914487.db2.gz YDCSPZLNCFHPSB-GOSISDBHSA-N -1 3 356.447 2.997 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(C)(C)C)C2)ccc1F ZINC000784569688 738904593 /nfs/dbraw/zinc/90/45/93/738904593.db2.gz GEABEAXUJMRPED-CQSZACIVSA-N -1 3 368.474 2.798 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccncc1 ZINC000785494848 738970226 /nfs/dbraw/zinc/97/02/26/738970226.db2.gz JJULMKFTVMTPDD-ZDUSSCGKSA-N -1 3 366.464 2.834 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCCN2C2CCCC2)n1 ZINC000786879609 739084902 /nfs/dbraw/zinc/08/49/02/739084902.db2.gz OBIPGEWVTTWPKC-GJZGRUSLSA-N -1 3 361.467 2.578 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cnc1Br ZINC000788350827 739236254 /nfs/dbraw/zinc/23/62/54/739236254.db2.gz IFPRVEFYEIWWNC-LBPRGKRZSA-N -1 3 374.194 2.814 20 30 FFEDHM COc1cc(C=NNCCc2ccncc2)cc(Br)c1[O-] ZINC000789093318 739315830 /nfs/dbraw/zinc/31/58/30/739315830.db2.gz IVZWFIMIWWXVKS-UHFFFAOYSA-N -1 3 350.216 2.725 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCC#CC(C)(C)C)cc1 ZINC000798887661 740371308 /nfs/dbraw/zinc/37/13/08/740371308.db2.gz GSBDHTCRLCGPHT-UHFFFAOYSA-N -1 3 367.467 2.808 20 30 FFEDHM CC(=[NH+][N-]c1ccncc1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799884750 740460030 /nfs/dbraw/zinc/46/00/30/740460030.db2.gz SLYLYAYXKLYOCG-UHFFFAOYSA-N -1 3 357.211 2.944 20 30 FFEDHM C#Cc1cccc(NC(=S)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811712151 741551709 /nfs/dbraw/zinc/55/17/09/741551709.db2.gz JPPXVWFZBXATJS-CYBMUJFWSA-N -1 3 369.412 2.755 20 30 FFEDHM C#CCC1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000812275137 741602589 /nfs/dbraw/zinc/60/25/89/741602589.db2.gz OPLLYXPBKVZMJZ-CQSZACIVSA-N -1 3 358.404 2.877 20 30 FFEDHM COC(=O)c1cc(C(=O)OCc2cc(C#N)ccc2Br)c[n-]1 ZINC000814528878 741839309 /nfs/dbraw/zinc/83/93/09/741839309.db2.gz IZCGVEULBCQBTF-UHFFFAOYSA-N -1 3 363.167 2.792 20 30 FFEDHM O=C1CN(N=Cc2sc(Sc3ccccc3)nc2Cl)C(=O)[N-]1 ZINC000814778074 741863839 /nfs/dbraw/zinc/86/38/39/741863839.db2.gz PBHQGFZGYVTBNS-UHFFFAOYSA-N -1 3 352.828 2.833 20 30 FFEDHM COc1cccc(S([O-])=CC(=O)OC[C@H](C#N)Cc2cccs2)c1 ZINC000820447381 742506858 /nfs/dbraw/zinc/50/68/58/742506858.db2.gz WUDLDFOVBLZWBT-RZFZLAGVSA-N -1 3 363.460 2.790 20 30 FFEDHM Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)c1C#N ZINC001054861734 745037979 /nfs/dbraw/zinc/03/79/79/745037979.db2.gz BWPHAHZRWWZBOK-UGFHNGPFSA-N -1 3 354.435 2.569 20 30 FFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000832170767 745650430 /nfs/dbraw/zinc/65/04/30/745650430.db2.gz UHFSWOIRHCGUBL-UHFFFAOYSA-N -1 3 353.669 2.988 20 30 FFEDHM C[C@]1(CC[N-]S(=O)(=O)c2cccc(F)c2C#N)CC1(Cl)Cl ZINC000832365895 745684583 /nfs/dbraw/zinc/68/45/83/745684583.db2.gz WVYSFLXUHJOVIB-LBPRGKRZSA-N -1 3 351.230 2.950 20 30 FFEDHM Cc1nn(C)c(N2CCN(Cc3c([O-])cc(C)cc3Cl)CC2)c1C#N ZINC000840941694 747236403 /nfs/dbraw/zinc/23/64/03/747236403.db2.gz HWDZXHMXGSOQJR-UHFFFAOYSA-N -1 3 359.861 2.590 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000848131437 748850588 /nfs/dbraw/zinc/85/05/88/748850588.db2.gz GINVAUWUIRMPSR-AWEZNQCLSA-N -1 3 367.833 2.557 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000908945079 939359932 /nfs/dbraw/zinc/35/99/32/939359932.db2.gz AGSGAIHENGLJTA-GOSISDBHSA-N -1 3 359.470 2.769 20 30 FFEDHM CC(C)(C#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824059493 946571979 /nfs/dbraw/zinc/57/19/79/946571979.db2.gz YBQYMJSTTJEDRS-UHFFFAOYSA-N -1 3 363.377 2.905 20 30 FFEDHM C#C[C@H](Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001573280153 946656828 /nfs/dbraw/zinc/65/68/28/946656828.db2.gz NTLQHXJZUZXQAG-ZDUSSCGKSA-N -1 3 356.292 2.840 20 30 FFEDHM C#C[C@H](Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001573280153 946656834 /nfs/dbraw/zinc/65/68/34/946656834.db2.gz NTLQHXJZUZXQAG-ZDUSSCGKSA-N -1 3 356.292 2.840 20 30 FFEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCC(C)C ZINC001573281421 946676921 /nfs/dbraw/zinc/67/69/21/946676921.db2.gz YQAROJNHRXYMNW-AWEZNQCLSA-N -1 3 364.457 2.629 20 30 FFEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCC(C)C ZINC001573281421 946676928 /nfs/dbraw/zinc/67/69/28/946676928.db2.gz YQAROJNHRXYMNW-AWEZNQCLSA-N -1 3 364.457 2.629 20 30 FFEDHM C#C[C@]1(C)CCCN1c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCC ZINC001573287437 946835197 /nfs/dbraw/zinc/83/51/97/946835197.db2.gz BZRIYMYZCMSZBT-LJQANCHMSA-N -1 3 362.441 2.527 20 30 FFEDHM C#C[C@]1(C)CCCN1c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCC ZINC001573287437 946835207 /nfs/dbraw/zinc/83/52/07/946835207.db2.gz BZRIYMYZCMSZBT-LJQANCHMSA-N -1 3 362.441 2.527 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)C1CCC1 ZINC001573293691 946965813 /nfs/dbraw/zinc/96/58/13/946965813.db2.gz GKJPJVUFCNXWGV-UHFFFAOYSA-N -1 3 350.430 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)C1CCC1 ZINC001573293691 946965818 /nfs/dbraw/zinc/96/58/18/946965818.db2.gz GKJPJVUFCNXWGV-UHFFFAOYSA-N -1 3 350.430 2.690 20 30 FFEDHM C=C(C)CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001573294164 946979344 /nfs/dbraw/zinc/97/93/44/946979344.db2.gz XAFBGWMAOWZPPE-UHFFFAOYSA-N -1 3 351.208 2.717 20 30 FFEDHM C=C(C)CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001573294164 946979349 /nfs/dbraw/zinc/97/93/49/946979349.db2.gz XAFBGWMAOWZPPE-UHFFFAOYSA-N -1 3 351.208 2.717 20 30 FFEDHM CCC(CC)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000825115043 947083150 /nfs/dbraw/zinc/08/31/50/947083150.db2.gz SWDLRGZNXIKNOI-UHFFFAOYSA-N -1 3 364.413 2.857 20 30 FFEDHM CCC(CC)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC000825115043 947083163 /nfs/dbraw/zinc/08/31/63/947083163.db2.gz SWDLRGZNXIKNOI-UHFFFAOYSA-N -1 3 364.413 2.857 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573306053 947164856 /nfs/dbraw/zinc/16/48/56/947164856.db2.gz WSKAPLMIMDFAOA-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573306053 947164870 /nfs/dbraw/zinc/16/48/70/947164870.db2.gz WSKAPLMIMDFAOA-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573306477 947171511 /nfs/dbraw/zinc/17/15/11/947171511.db2.gz KUOLUGPAOOBOLB-ACJLOTCBSA-N -1 3 374.514 2.611 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573314775 947238547 /nfs/dbraw/zinc/23/85/47/947238547.db2.gz HADTWGSWIVOMCF-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573314775 947238557 /nfs/dbraw/zinc/23/85/57/947238557.db2.gz HADTWGSWIVOMCF-CABCVRRESA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573319810 947335003 /nfs/dbraw/zinc/33/50/03/947335003.db2.gz RTOGFZJHPLCYOO-AWEZNQCLSA-N -1 3 370.432 2.787 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573319810 947335014 /nfs/dbraw/zinc/33/50/14/947335014.db2.gz RTOGFZJHPLCYOO-AWEZNQCLSA-N -1 3 370.432 2.787 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCCC1 ZINC001573330061 947430949 /nfs/dbraw/zinc/43/09/49/947430949.db2.gz SZJNUGGWQSDBNX-UHFFFAOYSA-N -1 3 367.862 2.687 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCCC1 ZINC001573330061 947430959 /nfs/dbraw/zinc/43/09/59/947430959.db2.gz SZJNUGGWQSDBNX-UHFFFAOYSA-N -1 3 367.862 2.687 20 30 FFEDHM C=CCCC(=O)N(C)[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573330559 947435116 /nfs/dbraw/zinc/43/51/16/947435116.db2.gz YYUOMNWYWJNWSA-OAHLLOKOSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCC(=O)N(C)[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573330559 947435123 /nfs/dbraw/zinc/43/51/23/947435123.db2.gz YYUOMNWYWJNWSA-OAHLLOKOSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCOc1cccc(NC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001573347156 947572670 /nfs/dbraw/zinc/57/26/70/947572670.db2.gz AMDSQXLMUHEEBC-UHFFFAOYSA-N -1 3 362.393 2.979 20 30 FFEDHM C=CCOc1cccc(NC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001573347156 947572679 /nfs/dbraw/zinc/57/26/79/947572679.db2.gz AMDSQXLMUHEEBC-UHFFFAOYSA-N -1 3 362.393 2.979 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573348784 947588904 /nfs/dbraw/zinc/58/89/04/947588904.db2.gz WDDDEUYVBHFCIN-AREMUKBSSA-N -1 3 367.434 2.649 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573348784 947588908 /nfs/dbraw/zinc/58/89/08/947588908.db2.gz WDDDEUYVBHFCIN-AREMUKBSSA-N -1 3 367.434 2.649 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(F)(F)C1 ZINC001343879594 948506802 /nfs/dbraw/zinc/50/68/02/948506802.db2.gz PNKVVXACURFFBM-UHFFFAOYSA-N -1 3 372.383 2.547 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(F)(F)C1 ZINC001343879594 948506807 /nfs/dbraw/zinc/50/68/07/948506807.db2.gz PNKVVXACURFFBM-UHFFFAOYSA-N -1 3 372.383 2.547 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001575511691 949134608 /nfs/dbraw/zinc/13/46/08/949134608.db2.gz KVFHNUBLLCFKRT-LLVKDONJSA-N -1 3 367.438 2.702 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC001594367670 958503505 /nfs/dbraw/zinc/50/35/05/958503505.db2.gz WKYMAUUWDANYDI-DLBZAZTESA-N -1 3 357.454 2.817 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOc1ccccc1F ZINC000007673899 1013197088 /nfs/dbraw/zinc/19/70/88/1013197088.db2.gz RPGAGAJFJYYTBE-UHFFFAOYSA-N -1 3 358.369 2.557 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc2nc(-c3ccccc3)nn2c1 ZINC001174786263 1013300356 /nfs/dbraw/zinc/30/03/56/1013300356.db2.gz ZKGVNQHEGXKNEL-UHFFFAOYSA-N -1 3 372.388 2.835 20 30 FFEDHM N#Cc1sccc1[N-]C(=O)c1nc2c(Br)cc(F)cn2n1 ZINC001174991917 1013356967 /nfs/dbraw/zinc/35/69/67/1013356967.db2.gz WIENQKSKRWUGOD-UHFFFAOYSA-N -1 3 366.175 2.816 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1cccc(Cl)c1 ZINC000017222605 964185404 /nfs/dbraw/zinc/18/54/04/964185404.db2.gz ASVMIBDIRCTSQH-UHFFFAOYSA-N -1 3 372.808 2.876 20 30 FFEDHM C=CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001087474241 965521253 /nfs/dbraw/zinc/52/12/53/965521253.db2.gz SLJUBTUSDPWJIZ-ROUUACIJSA-N -1 3 367.449 2.570 20 30 FFEDHM CC#CCCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875504949 1014036601 /nfs/dbraw/zinc/03/66/01/1014036601.db2.gz WPTUILVWXXEJOV-CYBMUJFWSA-N -1 3 367.371 2.782 20 30 FFEDHM CCCN(C)[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001603655193 974029452 /nfs/dbraw/zinc/02/94/52/974029452.db2.gz XGXRKYUPZNOKLE-QAPCUYQASA-N -1 3 365.861 2.844 20 30 FFEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCNc1ncccc1C#N ZINC000760544872 975469870 /nfs/dbraw/zinc/46/98/70/975469870.db2.gz HSSQUCHDHDKVDG-UHFFFAOYSA-N -1 3 374.397 2.537 20 30 FFEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)o1 ZINC000128787625 979917007 /nfs/dbraw/zinc/91/70/07/979917007.db2.gz MQPYNKHFARPQDH-CQSZACIVSA-N -1 3 354.362 2.883 20 30 FFEDHM O=C(Nc1cccc(COc2ccccc2)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878388815 1015022959 /nfs/dbraw/zinc/02/29/59/1015022959.db2.gz WURZRMHELWQJEU-QGZVFWFLSA-N -1 3 355.394 2.767 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1(C2CC2)CCOCC1 ZINC000764850127 984750586 /nfs/dbraw/zinc/75/05/86/984750586.db2.gz LDLXIKBCBCFASY-UHFFFAOYSA-N -1 3 358.438 2.958 20 30 FFEDHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000879505806 1015567193 /nfs/dbraw/zinc/56/71/93/1015567193.db2.gz JQXQISFBDRLKET-OAHLLOKOSA-N -1 3 358.373 2.698 20 30 FFEDHM Cc1cc(N2CCCCCC2)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000879543451 1015582407 /nfs/dbraw/zinc/58/24/07/1015582407.db2.gz UTPYPFVGRRDLRA-QGZVFWFLSA-N -1 3 360.458 2.877 20 30 FFEDHM CC(=O)c1cc(F)cc(CN2CCN(c3snc(C)c3C#N)CC2)c1[O-] ZINC000810063201 994695197 /nfs/dbraw/zinc/69/51/97/994695197.db2.gz OONVMFPENZXGQI-UHFFFAOYSA-N -1 3 374.441 2.693 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCSc2ccccc21 ZINC000811188097 995052350 /nfs/dbraw/zinc/05/23/50/995052350.db2.gz VISSWADNTQXTGI-GFCCVEGCSA-N -1 3 368.414 2.948 20 30 FFEDHM C[C@]1(C(=O)[O-])CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC001593777536 996485416 /nfs/dbraw/zinc/48/54/16/996485416.db2.gz ZEEDGEMWQJAQEC-SGTLLEGYSA-N -1 3 357.435 2.659 20 30 FFEDHM CCNc1nc(=NN=C2C[C@H](C)c3c2c([O-])ccc3F)nc(NCC)[nH]1 ZINC000730546787 997279191 /nfs/dbraw/zinc/27/91/91/997279191.db2.gz UNVQEUNEEDQIJQ-VIFPVBQESA-N -1 3 359.409 2.903 20 30 FFEDHM COC(=O)CN(CCOc1ccccc1C#N)Cc1cc(Cl)ccc1[O-] ZINC000731845051 998270163 /nfs/dbraw/zinc/27/01/63/998270163.db2.gz PDHGTAKZIXQIHE-UHFFFAOYSA-N -1 3 374.824 2.971 20 30 FFEDHM COC(=O)CN(CCOc1cccc(C#N)c1)Cc1cc(Cl)ccc1[O-] ZINC000731844611 998271417 /nfs/dbraw/zinc/27/14/17/998271417.db2.gz GRCQGLBEHSPIRT-UHFFFAOYSA-N -1 3 374.824 2.971 20 30 FFEDHM Cc1cccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000744021034 999840250 /nfs/dbraw/zinc/84/02/50/999840250.db2.gz OLJDNSLDAHBDCT-CYBMUJFWSA-N -1 3 372.446 2.726 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC)nn2)cc1 ZINC000766624103 1000031925 /nfs/dbraw/zinc/03/19/25/1000031925.db2.gz ZVJJTAHXGAVZGK-MRXNPFEDSA-N -1 3 353.426 2.992 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nc(OC)ccc2F)c(C)c1[O-] ZINC001147777290 1000974460 /nfs/dbraw/zinc/97/44/60/1000974460.db2.gz ASWHCUOXXJAEDP-UHFFFAOYSA-N -1 3 373.340 2.544 20 30 FFEDHM O=C(OCC#Cc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000771336474 1001083138 /nfs/dbraw/zinc/08/31/38/1001083138.db2.gz WVMNXIFTKZZYCA-SFHVURJKSA-N -1 3 367.376 2.731 20 30 FFEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000786793073 1001627707 /nfs/dbraw/zinc/62/77/07/1001627707.db2.gz LDHQVFILXLVKLM-UHFFFAOYSA-N -1 3 368.408 2.932 20 30 FFEDHM C[C@@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 ZINC001184272337 1002533723 /nfs/dbraw/zinc/53/37/23/1002533723.db2.gz GZKZKHVPHIKGFC-CYBMUJFWSA-N -1 3 370.380 2.833 20 30 FFEDHM CC1CCC(NS(=O)(=O)CC(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC001184283112 1002561812 /nfs/dbraw/zinc/56/18/12/1002561812.db2.gz DQJCQIXRCNEDDB-UHFFFAOYSA-N -1 3 374.890 2.556 20 30 FFEDHM N#Cc1ccc(CC2CCN(C(=O)c3[n-]c(=O)ccc3Cl)CC2)cc1 ZINC001184805710 1002714044 /nfs/dbraw/zinc/71/40/44/1002714044.db2.gz SJVDLYPEGIFCDW-UHFFFAOYSA-N -1 3 355.825 2.833 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000747021183 1002740820 /nfs/dbraw/zinc/74/08/20/1002740820.db2.gz LAQGZMBSPDIABS-LBPRGKRZSA-N -1 3 350.290 2.697 20 30 FFEDHM C[C@H]1C(=O)Nc2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc2N1C ZINC000792110410 1002909078 /nfs/dbraw/zinc/90/90/78/1002909078.db2.gz LJHLDOKUWBFUPC-GXTWGEPZSA-N -1 3 371.400 2.897 20 30 FFEDHM COc1cc(C(=O)/C=C/c2cnnn2Cc2ccccc2)c(OC)cc1[O-] ZINC000792883570 1003219500 /nfs/dbraw/zinc/21/95/00/1003219500.db2.gz FXOOUIPILKRJBR-CMDGGOBGSA-N -1 3 365.389 2.945 20 30 FFEDHM Cc1cc(C#N)c([N-]C(=O)c2nccnc2I)s1 ZINC001191519786 1003865100 /nfs/dbraw/zinc/86/51/00/1003865100.db2.gz UQNLFDYLWQFQMG-UHFFFAOYSA-N -1 3 370.175 2.575 20 30 FFEDHM CCOC(=O)c1oc2ccccc2c1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000804984691 1003921659 /nfs/dbraw/zinc/92/16/59/1003921659.db2.gz LQXAXAUDSIIMNX-UHFFFAOYSA-N -1 3 374.374 2.553 20 30 FFEDHM COC(=O)c1cnc([N-]C(=O)c2c(F)cc(C#N)cc2F)c(Cl)c1 ZINC001191908066 1003981833 /nfs/dbraw/zinc/98/18/33/1003981833.db2.gz YQUKLRWPMMBQFG-UHFFFAOYSA-N -1 3 351.696 2.924 20 30 FFEDHM N#Cc1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC001130316534 1004101641 /nfs/dbraw/zinc/10/16/41/1004101641.db2.gz SRKLZRXIIAKVKH-UHFFFAOYSA-N -1 3 353.157 2.938 20 30 FFEDHM Cc1cc(Br)c([N-]S(=O)(=O)CC#N)cc1Br ZINC001192985542 1004333886 /nfs/dbraw/zinc/33/38/86/1004333886.db2.gz FZAJUERIJQTMSM-UHFFFAOYSA-N -1 3 368.050 2.785 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201899448 1005281368 /nfs/dbraw/zinc/28/13/68/1005281368.db2.gz ZNUCZXDTDNUIOV-INIZCTEOSA-N -1 3 359.451 2.877 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000852428300 1006019192 /nfs/dbraw/zinc/01/91/92/1006019192.db2.gz IFZIGWJMTUNJGO-UHFFFAOYSA-N -1 3 357.406 2.584 20 30 FFEDHM COc1cc(C(=O)OCCOc2ccc(C#N)cc2OC)cc(OC)c1[O-] ZINC000805513830 1006099756 /nfs/dbraw/zinc/09/97/56/1006099756.db2.gz DMVQALXNLQTRDN-UHFFFAOYSA-N -1 3 373.361 2.525 20 30 FFEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189333016 1007029100 /nfs/dbraw/zinc/02/91/00/1007029100.db2.gz ZEVRNBPBJDVPRT-HNNXBMFYSA-N -1 3 361.410 2.528 20 30 FFEDHM CC(C)n1nccc1C(=O)NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001189374180 1007038473 /nfs/dbraw/zinc/03/84/73/1007038473.db2.gz OAVUMIRMZZNBPL-UHFFFAOYSA-N -1 3 356.304 2.928 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000855170180 1007152750 /nfs/dbraw/zinc/15/27/50/1007152750.db2.gz MACXELPAFFMZRZ-IUODEOHRSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000855439054 1007338615 /nfs/dbraw/zinc/33/86/15/1007338615.db2.gz UMVVWSOREFHDAU-AWEZNQCLSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000855438666 1007338893 /nfs/dbraw/zinc/33/88/93/1007338893.db2.gz MOHZPVCRNFWTPS-CYBMUJFWSA-N -1 3 366.458 2.695 20 30 FFEDHM COc1ccc2c(c1)CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C2 ZINC001190607991 1007719519 /nfs/dbraw/zinc/71/95/19/1007719519.db2.gz HAVIRLSKDNMSNT-HNNXBMFYSA-N -1 3 360.410 2.542 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c1 ZINC001190660773 1007721402 /nfs/dbraw/zinc/72/14/02/1007721402.db2.gz BBNOMIBAJGLMDU-CQSZACIVSA-N -1 3 350.346 2.639 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)nc2)c1 ZINC001190661919 1007722073 /nfs/dbraw/zinc/72/20/73/1007722073.db2.gz GMMPLHWTLLYOSK-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)COC2)c1 ZINC001190666484 1007724442 /nfs/dbraw/zinc/72/44/42/1007724442.db2.gz XLPPSHPKOJJKFN-UHFFFAOYSA-N -1 3 366.801 2.555 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc(COc2cccc(F)c2)c1 ZINC000820471196 1008338827 /nfs/dbraw/zinc/33/88/27/1008338827.db2.gz PDZVVBKCTVFGRS-QGZVFWFLSA-N -1 3 358.369 2.515 20 30 FFEDHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000820482296 1008339825 /nfs/dbraw/zinc/33/98/25/1008339825.db2.gz HFUYNDGFHXAOJF-GOSISDBHSA-N -1 3 366.417 2.813 20 30 FFEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cnc(C2CC2)o1 ZINC000863069694 1010104927 /nfs/dbraw/zinc/10/49/27/1010104927.db2.gz JWJLLBRMJDVLCG-AWEZNQCLSA-N -1 3 369.406 2.827 20 30 FFEDHM COc1ncc(C=CC([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cn1 ZINC000773952938 1010280589 /nfs/dbraw/zinc/28/05/89/1010280589.db2.gz CWFYSNBTOVJVES-KIUWMYQTSA-N -1 3 360.373 2.880 20 30 FFEDHM COCCOc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)ccn1 ZINC000777300945 1010476046 /nfs/dbraw/zinc/47/60/46/1010476046.db2.gz BAIZKKXGJNYBDE-CYBMUJFWSA-N -1 3 373.796 2.721 20 30 FFEDHM C=CCOc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc1 ZINC000646198194 1011795381 /nfs/dbraw/zinc/79/53/81/1011795381.db2.gz DQTVIKGWMHKKQL-UONOGXRCSA-N -1 3 369.421 2.745 20 30 FFEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C(=O)[O-])cc1 ZINC001275656187 1012774831 /nfs/dbraw/zinc/77/48/31/1012774831.db2.gz YAAFSAVEUUWBNE-HXUWFJFHSA-N -1 3 355.438 2.646 20 30 FFEDHM Cc1cc(C#N)nc(NCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)n1 ZINC001053266890 1018230295 /nfs/dbraw/zinc/23/02/95/1018230295.db2.gz MFCDIORUHBQEHA-UKRRQHHQSA-N -1 3 365.437 2.573 20 30 FFEDHM O=C([C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901374838 1019017038 /nfs/dbraw/zinc/01/70/38/1019017038.db2.gz TXBVDFUDTHBUFJ-GFCCVEGCSA-N -1 3 364.323 2.875 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001122490317 1023302191 /nfs/dbraw/zinc/30/21/91/1023302191.db2.gz JOHZFRJZGUUKNM-AWEZNQCLSA-N -1 3 369.807 2.918 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001122490317 1023302201 /nfs/dbraw/zinc/30/22/01/1023302201.db2.gz JOHZFRJZGUUKNM-AWEZNQCLSA-N -1 3 369.807 2.918 20 30 FFEDHM CSc1cc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccn1 ZINC000779194282 1023342211 /nfs/dbraw/zinc/34/22/11/1023342211.db2.gz LHBHMWGFVZSQJJ-CYBMUJFWSA-N -1 3 369.402 2.536 20 30 FFEDHM COC(=O)c1cccc(COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1C#N ZINC000756176894 1023678004 /nfs/dbraw/zinc/67/80/04/1023678004.db2.gz TUNXCDOMKVSKCJ-UHFFFAOYSA-N -1 3 365.345 2.993 20 30 FFEDHM COC(=O)c1cccc(COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1C#N ZINC000756176894 1023678008 /nfs/dbraw/zinc/67/80/08/1023678008.db2.gz TUNXCDOMKVSKCJ-UHFFFAOYSA-N -1 3 365.345 2.993 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](Oc2cccc(F)c2)C1 ZINC001121652537 1023905260 /nfs/dbraw/zinc/90/52/60/1023905260.db2.gz RVBZYLWQCIUIFM-AWEZNQCLSA-N -1 3 371.372 2.622 20 30 FFEDHM C=C[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001123789014 1024027747 /nfs/dbraw/zinc/02/77/47/1024027747.db2.gz XJYKTKOAAWTKEF-DZGCQCFKSA-N -1 3 354.372 2.873 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@]3(C#N)CCCOC3)c2)n1 ZINC001125082128 1024412530 /nfs/dbraw/zinc/41/25/30/1024412530.db2.gz GUYWUIAJYPUKBS-LJQANCHMSA-N -1 3 352.394 2.670 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837581541 1025911774 /nfs/dbraw/zinc/91/17/74/1025911774.db2.gz LJFLEIDKKCTBSF-UHFFFAOYSA-N -1 3 353.378 2.832 20 30 FFEDHM CCN(CC)[C@@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)c1ccsc1 ZINC001141610170 1026666465 /nfs/dbraw/zinc/66/64/65/1026666465.db2.gz FREAUMMAUAKQTE-HNNXBMFYSA-N -1 3 358.467 2.842 20 30 FFEDHM N#Cc1ccc(C2(C(=O)N[C@H]3CC[C@H](c4nccc(=O)[n-]4)CC3)CC2)cc1 ZINC001158792713 1027136801 /nfs/dbraw/zinc/13/68/01/1027136801.db2.gz LGUIWIRWMBENNH-JCNLHEQBSA-N -1 3 362.433 2.928 20 30 FFEDHM COc1cccc(Oc2nc(Cl)ncc2N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1 ZINC001160179027 1027626353 /nfs/dbraw/zinc/62/63/53/1027626353.db2.gz UBPIWOFCEFDNFJ-ZANVPECISA-N -1 3 364.789 2.579 20 30 FFEDHM COc1ccc(C)cc1N1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CC1=O ZINC001161842425 1028329530 /nfs/dbraw/zinc/32/95/30/1028329530.db2.gz DESMGESKBRCFHE-OAHLLOKOSA-N -1 3 372.396 2.914 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3cccc(-n4cccn4)c3)cc(=O)c2c1 ZINC001154559232 1028355405 /nfs/dbraw/zinc/35/54/05/1028355405.db2.gz JGJUZAYTALCURJ-UHFFFAOYSA-N -1 3 369.384 2.515 20 30 FFEDHM CC(=O)Nc1ccc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)cc1C#N ZINC001155178557 1028615091 /nfs/dbraw/zinc/61/50/91/1028615091.db2.gz KTDZHRSOHOYAQA-UHFFFAOYSA-N -1 3 354.757 2.694 20 30 FFEDHM CC(=O)Nc1ccc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)cc1C#N ZINC001155178557 1028615095 /nfs/dbraw/zinc/61/50/95/1028615095.db2.gz KTDZHRSOHOYAQA-UHFFFAOYSA-N -1 3 354.757 2.694 20 30 FFEDHM CC(=O)Nc1ccc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)cc1C#N ZINC001155178557 1028615102 /nfs/dbraw/zinc/61/51/02/1028615102.db2.gz KTDZHRSOHOYAQA-UHFFFAOYSA-N -1 3 354.757 2.694 20 30 FFEDHM COC(=O)Cc1cccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001155909726 1028970586 /nfs/dbraw/zinc/97/05/86/1028970586.db2.gz XZYTXGNPFQYCRT-UHFFFAOYSA-N -1 3 369.299 2.944 20 30 FFEDHM O=C1Cc2ccnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)c2N1 ZINC001163765761 1029054794 /nfs/dbraw/zinc/05/47/94/1029054794.db2.gz XXWVVSXUTALXFY-UHFFFAOYSA-N -1 3 352.272 2.723 20 30 FFEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc2cc(C#N)ccc2[nH]1 ZINC001156462293 1029200515 /nfs/dbraw/zinc/20/05/15/1029200515.db2.gz NCAFWQNLMXVXHK-UHFFFAOYSA-N -1 3 353.309 2.923 20 30 FFEDHM N#Cc1ccc2c(c1)[nH]nc2C(=O)Nc1ncc([O-])cc1Br ZINC001156879185 1029387458 /nfs/dbraw/zinc/38/74/58/1029387458.db2.gz XFMNJSXPGBXYSS-UHFFFAOYSA-N -1 3 358.155 2.550 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cnn2ccc(Br)cc12 ZINC001156950282 1029418643 /nfs/dbraw/zinc/41/86/43/1029418643.db2.gz IDBIDWIPGCRVEU-UHFFFAOYSA-N -1 3 374.198 2.536 20 30 FFEDHM CCOCCN(CCOCC)c1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001166877490 1030560099 /nfs/dbraw/zinc/56/00/99/1030560099.db2.gz COSHLRSUZDBOJJ-MHWRWJLKSA-N -1 3 362.883 2.539 20 30 FFEDHM C=CCOc1cccnc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784537215 1030670208 /nfs/dbraw/zinc/67/02/08/1030670208.db2.gz IKYYGAFNWMXQIH-UHFFFAOYSA-N -1 3 353.334 2.759 20 30 FFEDHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N[C@@H]1CCCN([O-])C1=O ZINC001203566564 1030767755 /nfs/dbraw/zinc/76/77/55/1030767755.db2.gz ZUESKMJKHWQXAT-SNVBAGLBSA-N -1 3 351.712 2.861 20 30 FFEDHM Cc1cc(C)n2ncc(C(=O)[N-]c3c(C#N)cnnc3-c3ccccc3)c2n1 ZINC001149579177 1031544524 /nfs/dbraw/zinc/54/45/24/1031544524.db2.gz ZGZFRQVTGGWGKS-UHFFFAOYSA-N -1 3 369.388 2.927 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)[n-]1 ZINC001225468265 1034265042 /nfs/dbraw/zinc/26/50/42/1034265042.db2.gz NCHCYJZPARFJFA-CYBMUJFWSA-N -1 3 369.368 2.991 20 30 FFEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001277097640 1034517272 /nfs/dbraw/zinc/51/72/72/1034517272.db2.gz JKACORBZBDRULO-LJQANCHMSA-N -1 3 363.408 2.931 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001277109171 1034578593 /nfs/dbraw/zinc/57/85/93/1034578593.db2.gz ZMCVGMVGRMTDRR-KRWDZBQOSA-N -1 3 360.429 2.818 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2Oc1nccc(/C=N/[O-])n1 ZINC001226254467 1034594941 /nfs/dbraw/zinc/59/49/41/1034594941.db2.gz YMYQPQXPKQGZLD-CZFKAPNXSA-N -1 3 362.430 2.699 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1nn(C)c2c1CCCC2 ZINC000835061011 1035495143 /nfs/dbraw/zinc/49/51/43/1035495143.db2.gz FLMDEBPDXINJRH-AWEZNQCLSA-N -1 3 366.421 2.659 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cnn2c1CCC2 ZINC000835063668 1035499402 /nfs/dbraw/zinc/49/94/02/1035499402.db2.gz OQFVOJVTNDITQV-LLVKDONJSA-N -1 3 372.812 2.761 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001140494916 1035502168 /nfs/dbraw/zinc/50/21/68/1035502168.db2.gz NWEZJNGRGHEGBP-XLIONFOSSA-N -1 3 362.470 2.903 20 30 FFEDHM CCOC(=O)C1(C#N)CCN(Cc2cc(Cl)c(OC)cc2[O-])CC1 ZINC001232267903 1035537939 /nfs/dbraw/zinc/53/79/39/1035537939.db2.gz JNXGQKDUSJHMSU-UHFFFAOYSA-N -1 3 352.818 2.723 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC001233802527 1036769670 /nfs/dbraw/zinc/76/96/70/1036769670.db2.gz HGYXSIYSSNLXGC-DACUGSJHSA-N -1 3 373.384 2.721 20 30 FFEDHM C=CCN1C[C@@]2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])C2)OCC1=O ZINC001277829668 1036906913 /nfs/dbraw/zinc/90/69/13/1036906913.db2.gz GWWXGMIKZIICEE-KRWDZBQOSA-N -1 3 371.264 2.688 20 30 FFEDHM COc1c(O[C@H]2C=CC(=O)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234129773 1036931242 /nfs/dbraw/zinc/93/12/42/1036931242.db2.gz KCWWHGVKJFSSDI-LBPRGKRZSA-N -1 3 364.353 2.761 20 30 FFEDHM N#Cc1ccc([O-])c(CN2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277849930 1037006515 /nfs/dbraw/zinc/00/65/15/1037006515.db2.gz JSKRKZXDMGKAAL-QGZVFWFLSA-N -1 3 367.371 2.783 20 30 FFEDHM CN1CCC[C@@H](Oc2c(C#N)c(C#N)c([O-])c3cccc([N+](=O)[O-])c32)C1 ZINC001231230149 1037506157 /nfs/dbraw/zinc/50/61/57/1037506157.db2.gz HWNRFMBGZPQFNE-LLVKDONJSA-N -1 3 352.350 2.670 20 30 FFEDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-][C@H](C#N)c1ccc(F)cc1)C(=O)C2 ZINC001258989118 1039643665 /nfs/dbraw/zinc/64/36/65/1039643665.db2.gz MIVPWMJVCGWKPS-DDUZABMNSA-N -1 3 364.442 2.705 20 30 FFEDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-][C@@H](C#N)c1ccc(F)cc1)C(=O)C2 ZINC001258989119 1039644045 /nfs/dbraw/zinc/64/40/45/1039644045.db2.gz MIVPWMJVCGWKPS-QIIPPGSGSA-N -1 3 364.442 2.705 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1F ZINC001259417679 1039987851 /nfs/dbraw/zinc/98/78/51/1039987851.db2.gz OHYWESJCZJKXSU-UHFFFAOYSA-N -1 3 370.308 2.563 20 30 FFEDHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259417936 1039988130 /nfs/dbraw/zinc/98/81/30/1039988130.db2.gz WUXRIXPKZGSTAU-UHFFFAOYSA-N -1 3 366.345 2.814 20 30 FFEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)F)c1)c1ccc(F)cc1 ZINC001259447811 1040014922 /nfs/dbraw/zinc/01/49/22/1040014922.db2.gz BGJMGYZXHQOBTL-AWEZNQCLSA-N -1 3 356.325 2.970 20 30 FFEDHM COc1ccc(OCCCS(=O)(=O)[N-]c2csc(C#N)c2)cc1 ZINC001259643942 1040131905 /nfs/dbraw/zinc/13/19/05/1040131905.db2.gz DEWTYWYFIJEKIU-UHFFFAOYSA-N -1 3 352.437 2.839 20 30 FFEDHM C=CCS(=O)(=O)[N-]c1c(C)cn(Cc2ccccc2)c1C(=O)OCC ZINC001259922854 1040299702 /nfs/dbraw/zinc/29/97/02/1040299702.db2.gz WDFOCYBXRABTGU-UHFFFAOYSA-N -1 3 362.451 2.949 20 30 FFEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@H](C#N)CC1 ZINC001261062034 1040968048 /nfs/dbraw/zinc/96/80/48/1040968048.db2.gz AOMKJLGJGUVGLB-KYZUINATSA-N -1 3 362.860 2.549 20 30 FFEDHM C#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000301747092 1040979478 /nfs/dbraw/zinc/97/94/78/1040979478.db2.gz BTOVPQPVWLLVRY-UHFFFAOYSA-N -1 3 372.446 2.558 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(OC2CCCC2)CC1 ZINC001262962715 1041992454 /nfs/dbraw/zinc/99/24/54/1041992454.db2.gz UYSLRQQZWGMKPI-UHFFFAOYSA-N -1 3 359.430 2.753 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CC[C@H]1CCc2ccccc21)C(=O)OC ZINC001309763145 1043513790 /nfs/dbraw/zinc/51/37/90/1043513790.db2.gz WTWMTBOVRNUCBC-WBVHZDCISA-N -1 3 351.468 2.534 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1C(F)(F)F ZINC001309879673 1043570499 /nfs/dbraw/zinc/57/04/99/1043570499.db2.gz XCUSOCMBGQRJOC-UHFFFAOYSA-N -1 3 374.315 2.900 20 30 FFEDHM COc1ccc(O)c(/C=N\Cc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001319193846 1045064210 /nfs/dbraw/zinc/06/42/10/1045064210.db2.gz FFJMPPPSUGLDDJ-NVMNQCDNSA-N -1 3 352.387 2.531 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC001320399408 1045402091 /nfs/dbraw/zinc/40/20/91/1045402091.db2.gz MIRYQFCSKSGALT-UHFFFAOYSA-N -1 3 364.358 2.589 20 30 FFEDHM COc1ccc([C@H](OC)[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001323367335 1045563695 /nfs/dbraw/zinc/56/36/95/1045563695.db2.gz LADPWFHWAHGDKN-YVEFUNNKSA-N -1 3 360.435 2.510 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC001540674073 1070964701 /nfs/dbraw/zinc/96/47/01/1070964701.db2.gz BUQDELFCFNLNNM-UHFFFAOYSA-N -1 3 353.304 2.988 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC001540674073 1070964709 /nfs/dbraw/zinc/96/47/09/1070964709.db2.gz BUQDELFCFNLNNM-UHFFFAOYSA-N -1 3 353.304 2.988 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001292328257 1049281021 /nfs/dbraw/zinc/28/10/21/1049281021.db2.gz WIBOEGNIHIYRLH-ZIAGYGMSSA-N -1 3 370.371 2.868 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001341869087 1050477982 /nfs/dbraw/zinc/47/79/82/1050477982.db2.gz WKZJVJYHCDAFNK-NSHDSACASA-N -1 3 365.869 2.544 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001341869087 1050477986 /nfs/dbraw/zinc/47/79/86/1050477986.db2.gz WKZJVJYHCDAFNK-NSHDSACASA-N -1 3 365.869 2.544 20 30 FFEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccc(F)cc1 ZINC001342604306 1051210531 /nfs/dbraw/zinc/21/05/31/1051210531.db2.gz FVLGKFNUUKXGNL-INIZCTEOSA-N -1 3 363.352 2.676 20 30 FFEDHM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc(N)c2ccccc2n1 ZINC001342608800 1051215400 /nfs/dbraw/zinc/21/54/00/1051215400.db2.gz YSZHMIXCDIJIJT-HNNXBMFYSA-N -1 3 373.372 2.659 20 30 FFEDHM CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC[C@H](C#N)C1 ZINC001340890149 1051219407 /nfs/dbraw/zinc/21/94/07/1051219407.db2.gz DVNHTHBFPCQGAI-CQSZACIVSA-N -1 3 363.425 2.596 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)CCC(F)(F)F ZINC001343404754 1052209302 /nfs/dbraw/zinc/20/93/02/1052209302.db2.gz LMHZTRNJHYTUDI-UHFFFAOYSA-N -1 3 356.352 2.714 20 30 FFEDHM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898527 1052216287 /nfs/dbraw/zinc/21/62/87/1052216287.db2.gz HIHRPHXPKISEJO-XANQCZFBSA-N -1 3 352.431 2.801 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001345994373 1052699554 /nfs/dbraw/zinc/69/95/54/1052699554.db2.gz PVVRCRCDFCUCRK-AOOOYVTPSA-N -1 3 353.883 2.623 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001345994373 1052699557 /nfs/dbraw/zinc/69/95/57/1052699557.db2.gz PVVRCRCDFCUCRK-AOOOYVTPSA-N -1 3 353.883 2.623 20 30 FFEDHM N#CCOc1cccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001543038400 1071363955 /nfs/dbraw/zinc/36/39/55/1071363955.db2.gz DHWODBUIAXMECP-UHFFFAOYSA-N -1 3 355.300 2.961 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCc1c(C)nc[n-]c1=O ZINC001346771202 1053296692 /nfs/dbraw/zinc/29/66/92/1053296692.db2.gz KDZAFNPHJQASAA-UHFFFAOYSA-N -1 3 357.458 2.806 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]2C(C)(C)C)ccc1F ZINC001336347780 1053939783 /nfs/dbraw/zinc/93/97/83/1053939783.db2.gz ASLQBFNRKBSNJH-HNNXBMFYSA-N -1 3 354.447 2.551 20 30 FFEDHM N#Cc1csc(CN[C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])n1 ZINC001351741543 1054978341 /nfs/dbraw/zinc/97/83/41/1054978341.db2.gz GDQWRCTUKZBIPB-GFCCVEGCSA-N -1 3 371.340 2.699 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)cc1C1CC1 ZINC001356265499 1055424089 /nfs/dbraw/zinc/42/40/89/1055424089.db2.gz IYFMCPKRIKHOST-CYBMUJFWSA-N -1 3 352.394 2.750 20 30 FFEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001338532985 1055598649 /nfs/dbraw/zinc/59/86/49/1055598649.db2.gz VISZMILRDHKWLO-UHFFFAOYSA-N -1 3 359.451 2.624 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC2(COC2)C1 ZINC001338791041 1055818460 /nfs/dbraw/zinc/81/84/60/1055818460.db2.gz XQTGERLILRQJKE-UHFFFAOYSA-N -1 3 369.450 2.673 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001338885234 1055904039 /nfs/dbraw/zinc/90/40/39/1055904039.db2.gz QDFMOPYNNZQHCG-LBPRGKRZSA-N -1 3 372.454 2.740 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001339014178 1056015382 /nfs/dbraw/zinc/01/53/82/1056015382.db2.gz DOOFVWUPIPLHOS-HIFRSBDPSA-N -1 3 359.430 2.610 20 30 FFEDHM CCOc1cc(C=NNCC2CCOCC2)cc(Br)c1[O-] ZINC001339162944 1056157025 /nfs/dbraw/zinc/15/70/25/1056157025.db2.gz RSBSIQVZAJCIRK-UHFFFAOYSA-N -1 3 357.248 2.904 20 30 FFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001451230128 1059094269 /nfs/dbraw/zinc/09/42/69/1059094269.db2.gz ZUVOIUIHZTUAOY-CQSZACIVSA-N -1 3 350.357 2.717 20 30 FFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001451230128 1059094288 /nfs/dbraw/zinc/09/42/88/1059094288.db2.gz ZUVOIUIHZTUAOY-CQSZACIVSA-N -1 3 350.357 2.717 20 30 FFEDHM CCOc1ccccc1-c1cccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000848134569 1059103849 /nfs/dbraw/zinc/10/38/49/1059103849.db2.gz BEGFQXZSCUXRFL-QGZVFWFLSA-N -1 3 354.406 2.862 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)nc1 ZINC001515113930 1059342712 /nfs/dbraw/zinc/34/27/12/1059342712.db2.gz KTNXNVJAGVCHRA-OAHLLOKOSA-N -1 3 365.389 2.840 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=Cc1nccs1 ZINC001515116010 1059346850 /nfs/dbraw/zinc/34/68/50/1059346850.db2.gz ZXYHFWXNEXCXOH-BTDICHCPSA-N -1 3 371.418 2.870 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1nccs1 ZINC001515116010 1059346866 /nfs/dbraw/zinc/34/68/66/1059346866.db2.gz ZXYHFWXNEXCXOH-BTDICHCPSA-N -1 3 371.418 2.870 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@H](NC(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)C2 ZINC001455039290 1059678818 /nfs/dbraw/zinc/67/88/18/1059678818.db2.gz QBSNWHQZZSAGCN-CQSZACIVSA-N -1 3 365.339 2.575 20 30 FFEDHM CC(C)OC(=O)c1cc(NC(=O)c2cc3ccccc3n2CC#N)[n-]n1 ZINC001456327719 1060090905 /nfs/dbraw/zinc/09/09/05/1060090905.db2.gz CKTSFNUVRAUMHZ-UHFFFAOYSA-N -1 3 351.366 2.705 20 30 FFEDHM CC(C)OC(=O)c1cc(NC(=O)c2cc3ccccc3n2CC#N)n[n-]1 ZINC001456327719 1060090926 /nfs/dbraw/zinc/09/09/26/1060090926.db2.gz CKTSFNUVRAUMHZ-UHFFFAOYSA-N -1 3 351.366 2.705 20 30 FFEDHM C#Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC001457019834 1060253305 /nfs/dbraw/zinc/25/33/05/1060253305.db2.gz VJVOOPURADMJJR-UHFFFAOYSA-N -1 3 358.394 2.500 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000848615616 1060348635 /nfs/dbraw/zinc/34/86/35/1060348635.db2.gz BJQSOPLGJXQXGS-NSHDSACASA-N -1 3 374.401 2.882 20 30 FFEDHM COC(=O)c1ccn(CCCC(=O)N([O-])CCCCc2ccccc2)n1 ZINC001458007189 1060488755 /nfs/dbraw/zinc/48/87/55/1060488755.db2.gz FDJDNUZVYMBYLL-UHFFFAOYSA-N -1 3 359.426 2.691 20 30 FFEDHM COc1ccc([C@H]2[C@@H](C(=O)N([O-])Cc3ccc(F)cc3)CC(=O)N2C)cc1 ZINC001458016080 1060489916 /nfs/dbraw/zinc/48/99/16/1060489916.db2.gz IQGAYHRHBXRGEY-HKUYNNGSSA-N -1 3 372.396 2.772 20 30 FFEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]CC(=O)CC1CCCCC1 ZINC001475622906 1061170531 /nfs/dbraw/zinc/17/05/31/1061170531.db2.gz LXEULZCOSWCAHY-UHFFFAOYSA-N -1 3 352.431 2.656 20 30 FFEDHM COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc(=O)[n-]cn3)c2)c1 ZINC001440870379 1063366332 /nfs/dbraw/zinc/36/63/32/1063366332.db2.gz JETKTIQYMQPZNO-UHFFFAOYSA-N -1 3 373.368 2.621 20 30 FFEDHM CCCCN(O)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001472621079 1065113276 /nfs/dbraw/zinc/11/32/76/1065113276.db2.gz GGBRUAWWZVJJLU-UHFFFAOYSA-N -1 3 355.391 2.586 20 30 FFEDHM CN(c1cc(Br)c(-c2nnn[n-]2)cc1F)[C@H]1CCC[C@@H]1C#N ZINC001579266070 1078605872 /nfs/dbraw/zinc/60/58/72/1078605872.db2.gz COQZFMLPBUXUSA-PELKAZGASA-N -1 3 365.210 2.897 20 30 FFEDHM CN(c1cc(Br)c(-c2nn[n-]n2)cc1F)[C@H]1CCC[C@@H]1C#N ZINC001579266070 1078605875 /nfs/dbraw/zinc/60/58/75/1078605875.db2.gz COQZFMLPBUXUSA-PELKAZGASA-N -1 3 365.210 2.897 20 30 FFEDHM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C#N ZINC001580041724 1078736520 /nfs/dbraw/zinc/73/65/20/1078736520.db2.gz LKWOHOYLNQGMDQ-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C#N ZINC001580041724 1078736524 /nfs/dbraw/zinc/73/65/24/1078736524.db2.gz LKWOHOYLNQGMDQ-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM CSc1ccc(CNC(=O)c2cc(C#N)ccc2F)cc1-c1nnn[n-]1 ZINC001580233868 1078770222 /nfs/dbraw/zinc/77/02/22/1078770222.db2.gz UGVWYHIFLCPWDH-UHFFFAOYSA-N -1 3 368.397 2.529 20 30 FFEDHM CSc1ccc(CNC(=O)c2cc(C#N)ccc2F)cc1-c1nn[n-]n1 ZINC001580233868 1078770229 /nfs/dbraw/zinc/77/02/29/1078770229.db2.gz UGVWYHIFLCPWDH-UHFFFAOYSA-N -1 3 368.397 2.529 20 30 FFEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001580464843 1078810667 /nfs/dbraw/zinc/81/06/67/1078810667.db2.gz CYOQXPANNVVMPZ-UHFFFAOYSA-N -1 3 369.388 2.550 20 30 FFEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001580464843 1078810672 /nfs/dbraw/zinc/81/06/72/1078810672.db2.gz CYOQXPANNVVMPZ-UHFFFAOYSA-N -1 3 369.388 2.550 20 30 FFEDHM Cc1cc2ccccc2nc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001581046256 1078911937 /nfs/dbraw/zinc/91/19/37/1078911937.db2.gz LPPGPVKBBJOAQD-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1cc2ccccc2nc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001581046256 1078911940 /nfs/dbraw/zinc/91/19/40/1078911940.db2.gz LPPGPVKBBJOAQD-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(F)cc1F ZINC001581866506 1079010732 /nfs/dbraw/zinc/01/07/32/1079010732.db2.gz GGITVCNWDVYAEV-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC001581866506 1079010744 /nfs/dbraw/zinc/01/07/44/1079010744.db2.gz GGITVCNWDVYAEV-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1ccc2c(c1)CN(C(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC001581874293 1079011060 /nfs/dbraw/zinc/01/10/60/1079011060.db2.gz LPFGGQOWCKFLKQ-UHFFFAOYSA-N -1 3 350.769 2.548 20 30 FFEDHM N#Cc1ccc2c(c1)CN(C(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC001581874293 1079011068 /nfs/dbraw/zinc/01/10/68/1079011068.db2.gz LPFGGQOWCKFLKQ-UHFFFAOYSA-N -1 3 350.769 2.548 20 30 FFEDHM N#Cc1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1Cl ZINC001581872234 1079011249 /nfs/dbraw/zinc/01/12/49/1079011249.db2.gz QNRRWXNDZJBEKU-UHFFFAOYSA-N -1 3 355.745 2.912 20 30 FFEDHM N#Cc1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1Cl ZINC001581872234 1079011257 /nfs/dbraw/zinc/01/12/57/1079011257.db2.gz QNRRWXNDZJBEKU-UHFFFAOYSA-N -1 3 355.745 2.912 20 30 FFEDHM N#Cc1ccc(CNc2ncc(Br)cc2-c2nnn[n-]2)c(F)c1 ZINC001581871961 1079011473 /nfs/dbraw/zinc/01/14/73/1079011473.db2.gz CIYYLEFJVXANMQ-UHFFFAOYSA-N -1 3 374.177 2.647 20 30 FFEDHM N#Cc1ccc(CNc2ncc(Br)cc2-c2nn[n-]n2)c(F)c1 ZINC001581871961 1079011480 /nfs/dbraw/zinc/01/14/80/1079011480.db2.gz CIYYLEFJVXANMQ-UHFFFAOYSA-N -1 3 374.177 2.647 20 30 FFEDHM Cc1cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cc(C)c1C#N ZINC001556528773 1075749895 /nfs/dbraw/zinc/74/98/95/1075749895.db2.gz XBVOPMXEJJPQQL-KGLIPLIRSA-N -1 3 366.421 2.669 20 30 FFEDHM C#Cc1cccc(NC(=O)CN(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001559488756 1076166797 /nfs/dbraw/zinc/16/67/97/1076166797.db2.gz RTFGHJYDPGOJGE-UHFFFAOYSA-N -1 3 372.428 2.901 20 30 FFEDHM CCC1CCC([N-]S(=O)(=O)Cc2csc(C#N)c2)(C(=O)OC)CC1 ZINC001561336105 1076364209 /nfs/dbraw/zinc/36/42/09/1076364209.db2.gz HYDODTCNFONSOF-UHFFFAOYSA-N -1 3 370.496 2.551 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001561562860 1076393115 /nfs/dbraw/zinc/39/31/15/1076393115.db2.gz OTPYYFXEMFYNTN-AWEZNQCLSA-N -1 3 352.481 2.724 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)OCC ZINC001561876145 1076438118 /nfs/dbraw/zinc/43/81/18/1076438118.db2.gz OTAAUSUQIQPEST-JTQLQIEISA-N -1 3 351.877 2.886 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001573080052 1077518453 /nfs/dbraw/zinc/51/84/53/1077518453.db2.gz VISSGBAZPMKRAT-IAGOWNOFSA-N -1 3 367.449 2.652 20 30 FFEDHM CC(C)Cc1ccc([C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N(C)C)cc1 ZINC001573539474 1077733124 /nfs/dbraw/zinc/73/31/24/1077733124.db2.gz LUKLIJJVMKJZNS-PXNSSMCTSA-N -1 3 359.470 2.609 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001573904172 1077841874 /nfs/dbraw/zinc/84/18/74/1077841874.db2.gz MAXMBRAWNGCKKJ-UHFFFAOYSA-N -1 3 364.384 2.629 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001573904172 1077841880 /nfs/dbraw/zinc/84/18/80/1077841880.db2.gz MAXMBRAWNGCKKJ-UHFFFAOYSA-N -1 3 364.384 2.629 20 30 FFEDHM C#CCCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001573940140 1077854833 /nfs/dbraw/zinc/85/48/33/1077854833.db2.gz NSUHJBZJMBRGIY-IAGOWNOFSA-N -1 3 356.466 2.800 20 30 FFEDHM CC(C)O[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC001574297577 1077951122 /nfs/dbraw/zinc/95/11/22/1077951122.db2.gz ZYKZXTPCVFFSIJ-KRWDZBQOSA-N -1 3 362.393 2.843 20 30 FFEDHM CC(C)O[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC001574297577 1077951130 /nfs/dbraw/zinc/95/11/30/1077951130.db2.gz ZYKZXTPCVFFSIJ-KRWDZBQOSA-N -1 3 362.393 2.843 20 30 FFEDHM C#C[C@H](CC)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001588326276 1079984137 /nfs/dbraw/zinc/98/41/37/1079984137.db2.gz IUUWJCUQTZTTCU-CYBMUJFWSA-N -1 3 363.381 2.587 20 30 FFEDHM C#C[C@H](CC)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001588326276 1079984140 /nfs/dbraw/zinc/98/41/40/1079984140.db2.gz IUUWJCUQTZTTCU-CYBMUJFWSA-N -1 3 363.381 2.587 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1)C(C)C ZINC001588329928 1079985690 /nfs/dbraw/zinc/98/56/90/1079985690.db2.gz RCNVGCPNWOWNGE-CQSZACIVSA-N -1 3 356.430 2.823 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1)C(C)C ZINC001588329928 1079985695 /nfs/dbraw/zinc/98/56/95/1079985695.db2.gz RCNVGCPNWOWNGE-CQSZACIVSA-N -1 3 356.430 2.823 20 30 FFEDHM C#C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(C)(C)C ZINC001588329366 1079986169 /nfs/dbraw/zinc/98/61/69/1079986169.db2.gz DZWCPHXKRKQOMS-QGZVFWFLSA-N -1 3 364.453 2.713 20 30 FFEDHM C#C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(C)(C)C ZINC001588329366 1079986171 /nfs/dbraw/zinc/98/61/71/1079986171.db2.gz DZWCPHXKRKQOMS-QGZVFWFLSA-N -1 3 364.453 2.713 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001588345912 1079990742 /nfs/dbraw/zinc/99/07/42/1079990742.db2.gz VSMPTFQBNFQOMA-IAGOWNOFSA-N -1 3 374.452 2.527 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001588345912 1079990745 /nfs/dbraw/zinc/99/07/45/1079990745.db2.gz VSMPTFQBNFQOMA-IAGOWNOFSA-N -1 3 374.452 2.527 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)C)C2 ZINC001588360097 1079992417 /nfs/dbraw/zinc/99/24/17/1079992417.db2.gz IGMGCULZJJBDOR-NEPJUHHUSA-N -1 3 373.482 2.666 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C(C)C)C2 ZINC001588360097 1079992425 /nfs/dbraw/zinc/99/24/25/1079992425.db2.gz IGMGCULZJJBDOR-NEPJUHHUSA-N -1 3 373.482 2.666 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588392719 1080004752 /nfs/dbraw/zinc/00/47/52/1080004752.db2.gz HCZJFUPHKYTHDW-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588392719 1080004760 /nfs/dbraw/zinc/00/47/60/1080004760.db2.gz HCZJFUPHKYTHDW-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588393341 1080005429 /nfs/dbraw/zinc/00/54/29/1080005429.db2.gz OFLSFWCFKCDWJR-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588393341 1080005436 /nfs/dbraw/zinc/00/54/36/1080005436.db2.gz OFLSFWCFKCDWJR-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(CC)c1nc(C)ccc1-c1nnn[n-]1 ZINC001588396685 1080009205 /nfs/dbraw/zinc/00/92/05/1080009205.db2.gz NHLQPBKEYBOAAH-CQSZACIVSA-N -1 3 371.489 2.503 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(CC)c1nc(C)ccc1-c1nn[n-]n1 ZINC001588396685 1080009211 /nfs/dbraw/zinc/00/92/11/1080009211.db2.gz NHLQPBKEYBOAAH-CQSZACIVSA-N -1 3 371.489 2.503 20 30 FFEDHM C=C(C)C[C@H](CO)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588405692 1080011999 /nfs/dbraw/zinc/01/19/99/1080011999.db2.gz OXWUWKRAASTREZ-CYBMUJFWSA-N -1 3 363.425 2.715 20 30 FFEDHM C=C(C)C[C@H](CO)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588405692 1080012008 /nfs/dbraw/zinc/01/20/08/1080012008.db2.gz OXWUWKRAASTREZ-CYBMUJFWSA-N -1 3 363.425 2.715 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588412590 1080015042 /nfs/dbraw/zinc/01/50/42/1080015042.db2.gz YETKTGQZUYNHDF-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588412590 1080015054 /nfs/dbraw/zinc/01/50/54/1080015054.db2.gz YETKTGQZUYNHDF-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001588411479 1080016026 /nfs/dbraw/zinc/01/60/26/1080016026.db2.gz DDDTXLDEFCSDQI-CQSZACIVSA-N -1 3 373.436 2.550 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001588411479 1080016033 /nfs/dbraw/zinc/01/60/33/1080016033.db2.gz DDDTXLDEFCSDQI-CQSZACIVSA-N -1 3 373.436 2.550 20 30 FFEDHM C=C(C)COCCNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588428837 1080023952 /nfs/dbraw/zinc/02/39/52/1080023952.db2.gz DZOHIXKMGSESDW-UHFFFAOYSA-N -1 3 356.199 2.773 20 30 FFEDHM C=C(C)COCCNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588428837 1080023960 /nfs/dbraw/zinc/02/39/60/1080023960.db2.gz DZOHIXKMGSESDW-UHFFFAOYSA-N -1 3 356.199 2.773 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N1CC[C@H](C(C)C)C1 ZINC001588429261 1080024759 /nfs/dbraw/zinc/02/47/59/1080024759.db2.gz FVMSUQUSXKYHGE-ZDUSSCGKSA-N -1 3 367.461 2.512 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N1CC[C@H](C(C)C)C1 ZINC001588429261 1080024770 /nfs/dbraw/zinc/02/47/70/1080024770.db2.gz FVMSUQUSXKYHGE-ZDUSSCGKSA-N -1 3 367.461 2.512 20 30 FFEDHM C=C(C)Cn1c(-c2cncc(-c3nnn[n-]3)c2)nnc1N(C)CC(C)(C)C ZINC001588436532 1080027309 /nfs/dbraw/zinc/02/73/09/1080027309.db2.gz LQBYYTKHXOWAMM-UHFFFAOYSA-N -1 3 367.461 2.579 20 30 FFEDHM C=C(C)Cn1c(-c2cncc(-c3nn[n-]n3)c2)nnc1N(C)CC(C)(C)C ZINC001588436532 1080027314 /nfs/dbraw/zinc/02/73/14/1080027314.db2.gz LQBYYTKHXOWAMM-UHFFFAOYSA-N -1 3 367.461 2.579 20 30 FFEDHM C=C(CNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001588444137 1080028028 /nfs/dbraw/zinc/02/80/28/1080028028.db2.gz MHNHJJUASBSPAO-UHFFFAOYSA-N -1 3 354.439 2.783 20 30 FFEDHM C=C(CNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001588444137 1080028037 /nfs/dbraw/zinc/02/80/37/1080028037.db2.gz MHNHJJUASBSPAO-UHFFFAOYSA-N -1 3 354.439 2.783 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588461311 1080035738 /nfs/dbraw/zinc/03/57/38/1080035738.db2.gz MUYPWAROMFHQHO-CHWSQXEVSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588461311 1080035747 /nfs/dbraw/zinc/03/57/47/1080035747.db2.gz MUYPWAROMFHQHO-CHWSQXEVSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@@H]2C[C@H]2C)CC1 ZINC001588462942 1080037059 /nfs/dbraw/zinc/03/70/59/1080037059.db2.gz UTMIKIPYWVYPPQ-CZUORRHYSA-N -1 3 362.441 2.863 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@@H]2C[C@H]2C)CC1 ZINC001588462942 1080037069 /nfs/dbraw/zinc/03/70/69/1080037069.db2.gz UTMIKIPYWVYPPQ-CZUORRHYSA-N -1 3 362.441 2.863 20 30 FFEDHM C=C1CCC(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001588462571 1080037323 /nfs/dbraw/zinc/03/73/23/1080037323.db2.gz PBVRFXMKYZSJHN-UHFFFAOYSA-N -1 3 352.442 2.901 20 30 FFEDHM C=C1CCC(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC001588462571 1080037330 /nfs/dbraw/zinc/03/73/30/1080037330.db2.gz PBVRFXMKYZSJHN-UHFFFAOYSA-N -1 3 352.442 2.901 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588469271 1080039098 /nfs/dbraw/zinc/03/90/98/1080039098.db2.gz ZYBQIVWPLUUZLX-OAHLLOKOSA-N -1 3 371.489 2.759 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588469271 1080039101 /nfs/dbraw/zinc/03/91/01/1080039101.db2.gz ZYBQIVWPLUUZLX-OAHLLOKOSA-N -1 3 371.489 2.759 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588474944 1080041919 /nfs/dbraw/zinc/04/19/19/1080041919.db2.gz IRLSSDPLZAXXPQ-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588474944 1080041929 /nfs/dbraw/zinc/04/19/29/1080041929.db2.gz IRLSSDPLZAXXPQ-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588492552 1080053323 /nfs/dbraw/zinc/05/33/23/1080053323.db2.gz TVONOSBZIRNFAM-IFXJQAMLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588492552 1080053332 /nfs/dbraw/zinc/05/33/32/1080053332.db2.gz TVONOSBZIRNFAM-IFXJQAMLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588492212 1080053941 /nfs/dbraw/zinc/05/39/41/1080053941.db2.gz PNBFAXBKTDJOCY-IBGZPJMESA-N -1 3 355.442 2.839 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588491299 1080054108 /nfs/dbraw/zinc/05/41/08/1080054108.db2.gz FXKGEFMFMLQDIS-KPZWWZAWSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588491299 1080054113 /nfs/dbraw/zinc/05/41/13/1080054113.db2.gz FXKGEFMFMLQDIS-KPZWWZAWSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588496821 1080060249 /nfs/dbraw/zinc/06/02/49/1080060249.db2.gz UXFNHALMSMNKEH-INIZCTEOSA-N -1 3 363.805 2.604 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588496821 1080060259 /nfs/dbraw/zinc/06/02/59/1080060259.db2.gz UXFNHALMSMNKEH-INIZCTEOSA-N -1 3 363.805 2.604 20 30 FFEDHM C=C[C@](C)(CCOC)COC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588500238 1080061497 /nfs/dbraw/zinc/06/14/97/1080061497.db2.gz TVWATQRIRZVZAE-MRXNPFEDSA-N -1 3 350.806 2.906 20 30 FFEDHM C=C[C@](C)(CCOC)COC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588500238 1080061508 /nfs/dbraw/zinc/06/15/08/1080061508.db2.gz TVWATQRIRZVZAE-MRXNPFEDSA-N -1 3 350.806 2.906 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588521488 1080073947 /nfs/dbraw/zinc/07/39/47/1080073947.db2.gz OCEAWLIFMGUPKK-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588521488 1080073955 /nfs/dbraw/zinc/07/39/55/1080073955.db2.gz OCEAWLIFMGUPKK-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588525467 1080078181 /nfs/dbraw/zinc/07/81/81/1080078181.db2.gz XXJCOLDIMHDYKQ-OFQRWUPVSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588525467 1080078188 /nfs/dbraw/zinc/07/81/88/1080078188.db2.gz XXJCOLDIMHDYKQ-OFQRWUPVSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC1(C(=O)NCCNc2cccc(F)c2-c2nnn[n-]2)CCCC1 ZINC001588553721 1080093126 /nfs/dbraw/zinc/09/31/26/1080093126.db2.gz SWUNMMXEUMCSTF-UHFFFAOYSA-N -1 3 358.421 2.670 20 30 FFEDHM C=CCC1(C(=O)NCCNc2cccc(F)c2-c2nn[n-]n2)CCCC1 ZINC001588553721 1080093136 /nfs/dbraw/zinc/09/31/36/1080093136.db2.gz SWUNMMXEUMCSTF-UHFFFAOYSA-N -1 3 358.421 2.670 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588561332 1080098530 /nfs/dbraw/zinc/09/85/30/1080098530.db2.gz ZSUNYQIBPBCKOG-YJBOKZPZSA-N -1 3 366.469 2.650 20 30 FFEDHM C=CCCC(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588572240 1080104032 /nfs/dbraw/zinc/10/40/32/1080104032.db2.gz CAIWYVDKQHQHQO-SHTZXODSSA-N -1 3 369.473 2.562 20 30 FFEDHM C=CCCC(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588572240 1080104036 /nfs/dbraw/zinc/10/40/36/1080104036.db2.gz CAIWYVDKQHQHQO-SHTZXODSSA-N -1 3 369.473 2.562 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588582103 1080108339 /nfs/dbraw/zinc/10/83/39/1080108339.db2.gz GXBBVSCBVWDSAV-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588582103 1080108342 /nfs/dbraw/zinc/10/83/42/1080108342.db2.gz GXBBVSCBVWDSAV-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC001588611669 1080121704 /nfs/dbraw/zinc/12/17/04/1080121704.db2.gz VQJQOHSHWYUKSZ-JTQLQIEISA-N -1 3 366.805 2.805 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC001588611669 1080121709 /nfs/dbraw/zinc/12/17/09/1080121709.db2.gz VQJQOHSHWYUKSZ-JTQLQIEISA-N -1 3 366.805 2.805 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001588632421 1080129511 /nfs/dbraw/zinc/12/95/11/1080129511.db2.gz XWCGBIKZDIGDMN-UHFFFAOYSA-N -1 3 365.393 2.853 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001588632421 1080129516 /nfs/dbraw/zinc/12/95/16/1080129516.db2.gz XWCGBIKZDIGDMN-UHFFFAOYSA-N -1 3 365.393 2.853 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588635878 1080130845 /nfs/dbraw/zinc/13/08/45/1080130845.db2.gz ZZTUHVMBYPJWFK-UHFFFAOYSA-N -1 3 356.361 2.861 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588635878 1080130853 /nfs/dbraw/zinc/13/08/53/1080130853.db2.gz ZZTUHVMBYPJWFK-UHFFFAOYSA-N -1 3 356.361 2.861 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC1(Cl)Cl ZINC001588638944 1080131875 /nfs/dbraw/zinc/13/18/75/1080131875.db2.gz KCTOGTSBPBGONO-GFCCVEGCSA-N -1 3 352.225 2.575 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC1(Cl)Cl ZINC001588638944 1080131881 /nfs/dbraw/zinc/13/18/81/1080131881.db2.gz KCTOGTSBPBGONO-GFCCVEGCSA-N -1 3 352.225 2.575 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001588640014 1080133242 /nfs/dbraw/zinc/13/32/42/1080133242.db2.gz IJRLDQOQSTTWSL-GOSISDBHSA-N -1 3 363.396 2.860 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001588640014 1080133244 /nfs/dbraw/zinc/13/32/44/1080133244.db2.gz IJRLDQOQSTTWSL-GOSISDBHSA-N -1 3 363.396 2.860 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1csc(CC)n1 ZINC001588640464 1080133718 /nfs/dbraw/zinc/13/37/18/1080133718.db2.gz SPTNSKXWOBGXQL-UHFFFAOYSA-N -1 3 368.466 2.643 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1csc(CC)n1 ZINC001588640464 1080133722 /nfs/dbraw/zinc/13/37/22/1080133722.db2.gz SPTNSKXWOBGXQL-UHFFFAOYSA-N -1 3 368.466 2.643 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cn(CCC)nc1C ZINC001588647921 1080137864 /nfs/dbraw/zinc/13/78/64/1080137864.db2.gz GJMCNDIQLOFPIV-UHFFFAOYSA-N -1 3 365.441 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cn(CCC)nc1C ZINC001588647921 1080137870 /nfs/dbraw/zinc/13/78/70/1080137870.db2.gz GJMCNDIQLOFPIV-UHFFFAOYSA-N -1 3 365.441 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnc(F)c(F)c1 ZINC001588649486 1080139318 /nfs/dbraw/zinc/13/93/18/1080139318.db2.gz PVTMFYKOOJWWPE-UHFFFAOYSA-N -1 3 371.351 2.760 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnc(F)c(F)c1 ZINC001588649486 1080139323 /nfs/dbraw/zinc/13/93/23/1080139323.db2.gz PVTMFYKOOJWWPE-UHFFFAOYSA-N -1 3 371.351 2.760 20 30 FFEDHM C=CCN(Cc1nc(-c2ccco2)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652278 1080141789 /nfs/dbraw/zinc/14/17/89/1080141789.db2.gz RATIJIMRQFPRDL-UHFFFAOYSA-N -1 3 363.381 2.698 20 30 FFEDHM C=CCN(Cc1nc(-c2ccco2)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652278 1080141794 /nfs/dbraw/zinc/14/17/94/1080141794.db2.gz RATIJIMRQFPRDL-UHFFFAOYSA-N -1 3 363.381 2.698 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588689243 1080156593 /nfs/dbraw/zinc/15/65/93/1080156593.db2.gz AYQJSBWZWCOBBU-UHFFFAOYSA-N -1 3 366.377 2.667 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588689243 1080156597 /nfs/dbraw/zinc/15/65/97/1080156597.db2.gz AYQJSBWZWCOBBU-UHFFFAOYSA-N -1 3 366.377 2.667 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001588690246 1080157661 /nfs/dbraw/zinc/15/76/61/1080157661.db2.gz XIFIYDNLZFLAPS-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001588690246 1080157663 /nfs/dbraw/zinc/15/76/63/1080157663.db2.gz XIFIYDNLZFLAPS-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCc1ccc(OCC(=O)Oc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC001588694809 1080159951 /nfs/dbraw/zinc/15/99/51/1080159951.db2.gz OBIAZQYVKSFIHH-UHFFFAOYSA-N -1 3 366.377 2.588 20 30 FFEDHM C=CCc1ccc(OCC(=O)Oc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC001588694809 1080159954 /nfs/dbraw/zinc/15/99/54/1080159954.db2.gz OBIAZQYVKSFIHH-UHFFFAOYSA-N -1 3 366.377 2.588 20 30 FFEDHM C=CCn1c(C2CC=CC2)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588703141 1080162256 /nfs/dbraw/zinc/16/22/56/1080162256.db2.gz KSIYDSJXTULECA-UHFFFAOYSA-N -1 3 360.425 2.598 20 30 FFEDHM C=CCn1c(C2CC=CC2)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588703141 1080162258 /nfs/dbraw/zinc/16/22/58/1080162258.db2.gz KSIYDSJXTULECA-UHFFFAOYSA-N -1 3 360.425 2.598 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776201 1080191060 /nfs/dbraw/zinc/19/10/60/1080191060.db2.gz DGZUSZPNGUPIPD-UHFFFAOYSA-N -1 3 351.439 2.886 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776201 1080191064 /nfs/dbraw/zinc/19/10/64/1080191064.db2.gz DGZUSZPNGUPIPD-UHFFFAOYSA-N -1 3 351.439 2.886 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC001588780775 1080193626 /nfs/dbraw/zinc/19/36/26/1080193626.db2.gz NQGUKKYEWNNNKU-UHFFFAOYSA-N -1 3 361.409 2.830 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588937307 1080272181 /nfs/dbraw/zinc/27/21/81/1080272181.db2.gz WCZPVLHGYOKAMP-JTQLQIEISA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588937307 1080272191 /nfs/dbraw/zinc/27/21/91/1080272191.db2.gz WCZPVLHGYOKAMP-JTQLQIEISA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588936270 1080272957 /nfs/dbraw/zinc/27/29/57/1080272957.db2.gz FZJQBKLLHQFPNO-NSHDSACASA-N -1 3 373.376 2.891 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588936270 1080272964 /nfs/dbraw/zinc/27/29/64/1080272964.db2.gz FZJQBKLLHQFPNO-NSHDSACASA-N -1 3 373.376 2.891 20 30 FFEDHM CC(C)(C#N)CCCOC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589033273 1080316087 /nfs/dbraw/zinc/31/60/87/1080316087.db2.gz DAQGMTIDUAINHD-MRXNPFEDSA-N -1 3 368.441 2.709 20 30 FFEDHM CC(C)(C)NC(=S)NN=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589141754 1080383031 /nfs/dbraw/zinc/38/30/31/1080383031.db2.gz VTQPYGKZPVXTJY-UHFFFAOYSA-N -1 3 357.487 2.560 20 30 FFEDHM CC(C)(C)NC(=S)NN=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589141754 1080383041 /nfs/dbraw/zinc/38/30/41/1080383041.db2.gz VTQPYGKZPVXTJY-UHFFFAOYSA-N -1 3 357.487 2.560 20 30 FFEDHM CC(C)(CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1=CCCC1 ZINC001589282496 1080464200 /nfs/dbraw/zinc/46/42/00/1080464200.db2.gz MPEQRYVFYKTWIU-INIZCTEOSA-N -1 3 364.453 2.802 20 30 FFEDHM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589341654 1080490036 /nfs/dbraw/zinc/49/00/36/1080490036.db2.gz KLGQNPOWEXZWNI-DOPJRALCSA-N -1 3 373.428 2.503 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](CC#N)c1ccco1 ZINC001589343476 1080491832 /nfs/dbraw/zinc/49/18/32/1080491832.db2.gz NKEKFAXFYBIVKT-HNNXBMFYSA-N -1 3 367.365 2.815 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](CC#N)c1ccco1 ZINC001589343476 1080491835 /nfs/dbraw/zinc/49/18/35/1080491835.db2.gz NKEKFAXFYBIVKT-HNNXBMFYSA-N -1 3 367.365 2.815 20 30 FFEDHM CC(C)C#CC(=O)N[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC001589387162 1080511959 /nfs/dbraw/zinc/51/19/59/1080511959.db2.gz HEWNFUOSIVDSAG-OAHLLOKOSA-N -1 3 372.448 2.608 20 30 FFEDHM CC(C)C#CC(=O)N[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC001589387162 1080511963 /nfs/dbraw/zinc/51/19/63/1080511963.db2.gz HEWNFUOSIVDSAG-OAHLLOKOSA-N -1 3 372.448 2.608 20 30 FFEDHM C[C@H](C(=O)[O-])N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC001589480166 1080554728 /nfs/dbraw/zinc/55/47/28/1080554728.db2.gz YODUACHJGSVOPL-DGCLKSJQSA-N -1 3 357.435 2.800 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(C#N)cc1 ZINC001589488152 1080559874 /nfs/dbraw/zinc/55/98/74/1080559874.db2.gz KVWSUGPDGYYRRU-KRWDZBQOSA-N -1 3 363.377 2.747 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(C#N)cc1 ZINC001589488152 1080559883 /nfs/dbraw/zinc/55/98/83/1080559883.db2.gz KVWSUGPDGYYRRU-KRWDZBQOSA-N -1 3 363.377 2.747 20 30 FFEDHM CC(C)CCC[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589596362 1080627986 /nfs/dbraw/zinc/62/79/86/1080627986.db2.gz SEAFTOHWHNMELW-RHSMWYFYSA-N -1 3 354.458 2.880 20 30 FFEDHM CC(C)N(CCC#N)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001589681985 1080667738 /nfs/dbraw/zinc/66/77/38/1080667738.db2.gz DWNYHKQKNMISJZ-UHFFFAOYSA-N -1 3 352.442 2.829 20 30 FFEDHM CC(C)N(CCC#N)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001589681985 1080667740 /nfs/dbraw/zinc/66/77/40/1080667740.db2.gz DWNYHKQKNMISJZ-UHFFFAOYSA-N -1 3 352.442 2.829 20 30 FFEDHM CC(C)Oc1cccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1 ZINC001589758114 1080712531 /nfs/dbraw/zinc/71/25/31/1080712531.db2.gz FFTJBHVAFMBIFA-UHFFFAOYSA-N -1 3 367.438 2.795 20 30 FFEDHM CC(C)Oc1cccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1 ZINC001589758114 1080712536 /nfs/dbraw/zinc/71/25/36/1080712536.db2.gz FFTJBHVAFMBIFA-UHFFFAOYSA-N -1 3 367.438 2.795 20 30 FFEDHM CC(C)Oc1cccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC001589758844 1080712642 /nfs/dbraw/zinc/71/26/42/1080712642.db2.gz ZSWNMWJBNNVLGL-UHFFFAOYSA-N -1 3 367.438 2.795 20 30 FFEDHM CC(C)Oc1cccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC001589758844 1080712648 /nfs/dbraw/zinc/71/26/48/1080712648.db2.gz ZSWNMWJBNNVLGL-UHFFFAOYSA-N -1 3 367.438 2.795 20 30 FFEDHM C[C@@H](CCCNc1cccc(F)c1-c1nnn[n-]1)NC(=O)C#CC(C)(C)C ZINC001589816864 1080770391 /nfs/dbraw/zinc/77/03/91/1080770391.db2.gz ZJWFRJKHNWLRNP-ZDUSSCGKSA-N -1 3 372.448 2.752 20 30 FFEDHM C[C@@H](CCCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C#CC(C)(C)C ZINC001589816864 1080770401 /nfs/dbraw/zinc/77/04/01/1080770401.db2.gz ZJWFRJKHNWLRNP-ZDUSSCGKSA-N -1 3 372.448 2.752 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC001589894454 1080840755 /nfs/dbraw/zinc/84/07/55/1080840755.db2.gz OOKXISACMOODRG-DYVFJYSZSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC001589894454 1080840760 /nfs/dbraw/zinc/84/07/60/1080840760.db2.gz OOKXISACMOODRG-DYVFJYSZSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589896209 1080842460 /nfs/dbraw/zinc/84/24/60/1080842460.db2.gz DNECJVKLQCCDFC-CQSZACIVSA-N -1 3 360.421 2.576 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589896209 1080842468 /nfs/dbraw/zinc/84/24/68/1080842468.db2.gz DNECJVKLQCCDFC-CQSZACIVSA-N -1 3 360.421 2.576 20 30 FFEDHM C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589918066 1080859489 /nfs/dbraw/zinc/85/94/89/1080859489.db2.gz NULWVFFJWRPGOI-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589918066 1080859498 /nfs/dbraw/zinc/85/94/98/1080859498.db2.gz NULWVFFJWRPGOI-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](ON=C(N)c1nccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC001590020601 1080946934 /nfs/dbraw/zinc/94/69/34/1080946934.db2.gz NKTCFNSQEPVCMO-GFCCVEGCSA-N -1 3 359.393 2.813 20 30 FFEDHM C[C@@H](ON=C(N)c1nccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC001590020601 1080946939 /nfs/dbraw/zinc/94/69/39/1080946939.db2.gz NKTCFNSQEPVCMO-GFCCVEGCSA-N -1 3 359.393 2.813 20 30 FFEDHM C[C@@]1(C#N)CCN(c2ccc(-c3nnn[n-]3)c(Br)c2F)C1 ZINC001590056314 1080983137 /nfs/dbraw/zinc/98/31/37/1080983137.db2.gz GKPFBEPWXPTMNR-ZDUSSCGKSA-N -1 3 351.183 2.508 20 30 FFEDHM C[C@@]1(C#N)CCN(c2ccc(-c3nn[n-]n3)c(Br)c2F)C1 ZINC001590056314 1080983144 /nfs/dbraw/zinc/98/31/44/1080983144.db2.gz GKPFBEPWXPTMNR-ZDUSSCGKSA-N -1 3 351.183 2.508 20 30 FFEDHM CCOC(=O)Nc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1C#N ZINC000278206235 256287676 /nfs/dbraw/zinc/28/76/76/256287676.db2.gz SMPKDSUTAYJFRR-LLVKDONJSA-N -1 3 370.287 2.504 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](C(=O)NCc3ccc([O-])c(F)c3)C2)c(F)c1 ZINC000287247390 257079504 /nfs/dbraw/zinc/07/95/04/257079504.db2.gz JZKGQBDGSCVNNR-AWEZNQCLSA-N -1 3 357.360 2.685 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(N(C)C)cn1 ZINC000290312897 257325265 /nfs/dbraw/zinc/32/52/65/257325265.db2.gz DHPZPNUNPHPWOF-AWEZNQCLSA-N -1 3 368.437 2.974 20 30 FFEDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)n2c3ccccc3nc2c1C#N ZINC000301802063 258068646 /nfs/dbraw/zinc/06/86/46/258068646.db2.gz UELDQOUOHREAEL-UHFFFAOYSA-N -1 3 356.389 2.726 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2)s1 ZINC000230336160 509436237 /nfs/dbraw/zinc/43/62/37/509436237.db2.gz JRJALHBXCNLHCG-UHFFFAOYSA-N -1 3 357.254 2.861 20 30 FFEDHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000032094684 506229616 /nfs/dbraw/zinc/22/96/16/506229616.db2.gz BLXMRTFEBZKZJO-UHFFFAOYSA-N -1 3 357.435 2.504 20 30 FFEDHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000032094682 506230031 /nfs/dbraw/zinc/23/00/31/506230031.db2.gz VSFQVOZMGPEHEK-UHFFFAOYSA-N -1 3 357.435 2.504 20 30 FFEDHM CCOc1ccccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000054143786 506500367 /nfs/dbraw/zinc/50/03/67/506500367.db2.gz KADNAWKAMHOYBW-UHFFFAOYSA-N -1 3 353.422 2.511 20 30 FFEDHM N#CC(=C([O-])c1cnn(Cc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000041508599 506526501 /nfs/dbraw/zinc/52/65/01/506526501.db2.gz ZKYFZWIEXKKUQF-QGZVFWFLSA-N -1 3 360.421 2.739 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000056078135 506927763 /nfs/dbraw/zinc/92/77/63/506927763.db2.gz VNVYZZZYADQABT-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn3ccc(C)cc3n2)n1 ZINC000067896080 507045120 /nfs/dbraw/zinc/04/51/20/507045120.db2.gz ZXNZYUFCNKJAIM-LLVKDONJSA-N -1 3 354.391 2.766 20 30 FFEDHM COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000015818438 507060827 /nfs/dbraw/zinc/06/08/27/507060827.db2.gz ZKIDSNXOGDXTKC-OAHLLOKOSA-N -1 3 367.449 2.990 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000068382332 507207871 /nfs/dbraw/zinc/20/78/71/507207871.db2.gz XVQYVHWTBXQTPK-GFCCVEGCSA-N -1 3 370.521 2.691 20 30 FFEDHM N#CCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000060332141 507524670 /nfs/dbraw/zinc/52/46/70/507524670.db2.gz XWWSCCRENPUECM-UHFFFAOYSA-N -1 3 367.789 2.533 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052512229 507811535 /nfs/dbraw/zinc/81/15/35/507811535.db2.gz JICVJDQHXIJFAW-SFHVURJKSA-N -1 3 363.417 2.527 20 30 FFEDHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1cccc(C#N)c1 ZINC000078768301 507905614 /nfs/dbraw/zinc/90/56/14/507905614.db2.gz PUNRKJZKHYDHSM-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cccc(F)c21 ZINC000073784549 507955307 /nfs/dbraw/zinc/95/53/07/507955307.db2.gz NONNTOIMRIEFJO-UHFFFAOYSA-N -1 3 353.397 2.915 20 30 FFEDHM Cc1ccccc1C(=O)NCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076687206 508241548 /nfs/dbraw/zinc/24/15/48/508241548.db2.gz YNFDHCSTABZUJI-UHFFFAOYSA-N -1 3 353.357 2.937 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000156356187 508407484 /nfs/dbraw/zinc/40/74/84/508407484.db2.gz LRCHZSLYDIDDFD-CQSZACIVSA-N -1 3 371.418 2.865 20 30 FFEDHM CN(CCCC[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000156696838 508464062 /nfs/dbraw/zinc/46/40/62/508464062.db2.gz SSSNUPRICCAPBU-UHFFFAOYSA-N -1 3 361.442 2.892 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000156824544 508483147 /nfs/dbraw/zinc/48/31/47/508483147.db2.gz SHBADMIJIRPKOJ-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156861072 508487393 /nfs/dbraw/zinc/48/73/93/508487393.db2.gz KJNYYQDJQQFBLB-UHFFFAOYSA-N -1 3 372.425 2.588 20 30 FFEDHM COc1cccc2c1CC[C@H]2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000153569988 508599659 /nfs/dbraw/zinc/59/96/59/508599659.db2.gz VCLHXBOETGKEPF-GOSISDBHSA-N -1 3 365.433 2.608 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000118702970 508665779 /nfs/dbraw/zinc/66/57/79/508665779.db2.gz JPHCQHIRPNTNMK-UHFFFAOYSA-N -1 3 353.426 2.815 20 30 FFEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccnnc3)s2)cc1 ZINC000129588691 508743435 /nfs/dbraw/zinc/74/34/35/508743435.db2.gz CDDOXZDPISCIFK-UHFFFAOYSA-N -1 3 354.420 2.744 20 30 FFEDHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000119238271 508754867 /nfs/dbraw/zinc/75/48/67/508754867.db2.gz RSAGMARCSMCCGZ-HZMBPMFUSA-N -1 3 364.389 2.652 20 30 FFEDHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000124252168 508803784 /nfs/dbraw/zinc/80/37/84/508803784.db2.gz IWDOFQZRKYHQJR-ZWKOTPCHSA-N -1 3 373.497 2.848 20 30 FFEDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000124497974 508841569 /nfs/dbraw/zinc/84/15/69/508841569.db2.gz SEXOQHWWXPNGKZ-ZDUSSCGKSA-N -1 3 352.847 2.705 20 30 FFEDHM N#CCCCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000119769554 508859364 /nfs/dbraw/zinc/85/93/64/508859364.db2.gz MTQQVQQISKAUDC-INIZCTEOSA-N -1 3 353.403 2.649 20 30 FFEDHM CC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000120127371 508933366 /nfs/dbraw/zinc/93/33/66/508933366.db2.gz TXPAWSMVXRXJJB-CYBMUJFWSA-N -1 3 361.398 2.658 20 30 FFEDHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000120132712 508935420 /nfs/dbraw/zinc/93/54/20/508935420.db2.gz AOCKFZQJSUCXBN-ZDUSSCGKSA-N -1 3 350.403 2.738 20 30 FFEDHM C=C(C)Cn1c(SCC(=O)Nc2ncccc2[O-])nnc1-c1ccco1 ZINC000132855054 509083299 /nfs/dbraw/zinc/08/32/99/509083299.db2.gz HQIOFGGFUVTTGH-UHFFFAOYSA-N -1 3 371.422 2.946 20 30 FFEDHM N#Cc1ccsc1[N-]C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000133221908 509134837 /nfs/dbraw/zinc/13/48/37/509134837.db2.gz JBQOMYXPPZMEGI-UHFFFAOYSA-N -1 3 364.312 2.867 20 30 FFEDHM C=CC[C@@H](C(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000188740085 509239389 /nfs/dbraw/zinc/23/93/89/509239389.db2.gz FDNBTEDWNNEARH-OAHLLOKOSA-N -1 3 364.492 2.503 20 30 FFEDHM COCc1ccccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000182530408 509286986 /nfs/dbraw/zinc/28/69/86/509286986.db2.gz OMPZBIGXDDAJJO-UHFFFAOYSA-N -1 3 354.406 2.686 20 30 FFEDHM C#CCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000173332366 509536754 /nfs/dbraw/zinc/53/67/54/509536754.db2.gz TVQKTEFKPOJRFN-UHFFFAOYSA-N -1 3 363.845 2.819 20 30 FFEDHM Cn1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c2ccccc21 ZINC000186189386 509566974 /nfs/dbraw/zinc/56/69/74/509566974.db2.gz HSEFOVHJJJIESI-UHFFFAOYSA-N -1 3 374.853 2.619 20 30 FFEDHM Cn1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c2ccccc21 ZINC000186194575 509570205 /nfs/dbraw/zinc/57/02/05/509570205.db2.gz ILVMVZMJVZTRTC-UHFFFAOYSA-N -1 3 374.853 2.619 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000267641507 509577932 /nfs/dbraw/zinc/57/79/32/509577932.db2.gz QWLJFQDBPFESBZ-LLVKDONJSA-N -1 3 351.453 2.509 20 30 FFEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000192834405 509663656 /nfs/dbraw/zinc/66/36/56/509663656.db2.gz LHKQSMZIYAIGCG-LURJTMIESA-N -1 3 357.151 2.658 20 30 FFEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc([O-])cc1F ZINC000183256804 509683532 /nfs/dbraw/zinc/68/35/32/509683532.db2.gz HWKYYOPSDQHJJZ-UHFFFAOYSA-N -1 3 353.357 2.634 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000186437332 509708182 /nfs/dbraw/zinc/70/81/82/509708182.db2.gz ZYZBERNGHBFBIX-QMMMGPOBSA-N -1 3 365.238 2.751 20 30 FFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(F)c(C#N)c1)C(=O)C2 ZINC000183349644 509730715 /nfs/dbraw/zinc/73/07/15/509730715.db2.gz GLXNBCMOIMOGBO-SJCJKPOMSA-N -1 3 350.415 2.834 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccc(F)c(F)c1 ZINC000180182453 509797624 /nfs/dbraw/zinc/79/76/24/509797624.db2.gz YUNFIOFEQBRERV-INIZCTEOSA-N -1 3 366.389 2.811 20 30 FFEDHM CCCN(CC#N)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000183456717 509800521 /nfs/dbraw/zinc/80/05/21/509800521.db2.gz WJOLNNYJICOUDS-SNAWJCMRSA-N -1 3 353.216 2.939 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000183531278 509844939 /nfs/dbraw/zinc/84/49/39/509844939.db2.gz IOTGKQJBKJYWKX-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM COCCc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000190020607 509889281 /nfs/dbraw/zinc/88/92/81/509889281.db2.gz XONSWKRQKNOZRW-UHFFFAOYSA-N -1 3 353.422 2.624 20 30 FFEDHM CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(CC)CC ZINC000177713724 510212307 /nfs/dbraw/zinc/21/23/07/510212307.db2.gz PASFEAUATDIFMD-MSOLQXFVSA-N -1 3 373.497 2.896 20 30 FFEDHM CCO[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000194189962 510255343 /nfs/dbraw/zinc/25/53/43/510255343.db2.gz QHMCJGQBBYELLC-IBGZPJMESA-N -1 3 367.449 2.690 20 30 FFEDHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190861397 510378447 /nfs/dbraw/zinc/37/84/47/510378447.db2.gz JGANZYONJQFRLV-CQSZACIVSA-N -1 3 359.875 2.734 20 30 FFEDHM CSc1cc(O)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000191205596 510547907 /nfs/dbraw/zinc/54/79/07/510547907.db2.gz KVRYEELEBXHKRS-UHFFFAOYSA-N -1 3 357.435 2.862 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000185265553 510780750 /nfs/dbraw/zinc/78/07/50/510780750.db2.gz IXGYCSBUPRDBJC-CYBMUJFWSA-N -1 3 354.859 2.982 20 30 FFEDHM CC1CCN(C[C@@H](O)CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000331229699 511052652 /nfs/dbraw/zinc/05/26/52/511052652.db2.gz GMTMGFJAUNZCHY-ZDUSSCGKSA-N -1 3 371.275 2.552 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000271048126 511068656 /nfs/dbraw/zinc/06/86/56/511068656.db2.gz RYZKFNOEXCLIJS-RHSMWYFYSA-N -1 3 359.470 2.918 20 30 FFEDHM N#CC1(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CCCCC1 ZINC000332531565 511085132 /nfs/dbraw/zinc/08/51/32/511085132.db2.gz GDJPKGZBFSRYBV-UHFFFAOYSA-N -1 3 355.438 2.587 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)CCO1 ZINC000279819977 511228570 /nfs/dbraw/zinc/22/85/70/511228570.db2.gz AXJXHJKUTIKTEW-OAHLLOKOSA-N -1 3 371.462 2.779 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000333752207 511344458 /nfs/dbraw/zinc/34/44/58/511344458.db2.gz XYMIGZNBGGIAEE-CYBMUJFWSA-N -1 3 354.859 2.839 20 30 FFEDHM Cc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000280202109 511374286 /nfs/dbraw/zinc/37/42/86/511374286.db2.gz GASVVIZCVCGVRL-UHFFFAOYSA-N -1 3 369.368 2.802 20 30 FFEDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1[O-] ZINC000292069933 511454350 /nfs/dbraw/zinc/45/43/50/511454350.db2.gz CORUOJGRHHENPL-MRXNPFEDSA-N -1 3 355.369 2.654 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272508030 511496933 /nfs/dbraw/zinc/49/69/33/511496933.db2.gz FUCFEZPTQHMPOL-BEFAXECRSA-N -1 3 365.433 2.871 20 30 FFEDHM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000273621316 511553676 /nfs/dbraw/zinc/55/36/76/511553676.db2.gz VUFSCGPLRHGTHM-SNVBAGLBSA-N -1 3 364.389 2.652 20 30 FFEDHM COc1cc(/C=C/C(=O)N[C@]2(C#N)CC2(C)C)cc(Br)c1[O-] ZINC000292566862 511644524 /nfs/dbraw/zinc/64/45/24/511644524.db2.gz UIBXNYNQTAEEDP-APHBUQMISA-N -1 3 365.227 2.985 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000280980518 511676454 /nfs/dbraw/zinc/67/64/54/511676454.db2.gz BHPNFIQMYNWBDF-SFHVURJKSA-N -1 3 367.453 2.696 20 30 FFEDHM C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000310279991 511770212 /nfs/dbraw/zinc/77/02/12/511770212.db2.gz KSJJMHILSQLRME-XJKSGUPXSA-N -1 3 361.492 2.561 20 30 FFEDHM CCN(C(=O)CNC(=O)c1cccc([O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000274435140 511833570 /nfs/dbraw/zinc/83/35/70/511833570.db2.gz GNIXKBQMLUZZJD-AWEZNQCLSA-N -1 3 351.406 2.603 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OC(C)(C)C ZINC000325389659 511847233 /nfs/dbraw/zinc/84/72/33/511847233.db2.gz CGDGIOKLBGGHBM-CQSZACIVSA-N -1 3 372.874 2.856 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000274817780 511952611 /nfs/dbraw/zinc/95/26/11/511952611.db2.gz VNJGYRFIWGHJRV-CYBMUJFWSA-N -1 3 360.863 2.726 20 30 FFEDHM CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000329029936 511971148 /nfs/dbraw/zinc/97/11/48/511971148.db2.gz AQTZNYQYLZRAMN-DNVCBOLYSA-N -1 3 372.425 2.643 20 30 FFEDHM CC(C)(C)[C@H](NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1cccs1 ZINC000329242726 512012435 /nfs/dbraw/zinc/01/24/35/512012435.db2.gz AIFMVSZFXNRULX-SMDDNHRTSA-N -1 3 364.471 2.868 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2C=CCCC2)CCCC1 ZINC000329853462 512104496 /nfs/dbraw/zinc/10/44/96/512104496.db2.gz VMUNAGPCCMTNHN-AWEZNQCLSA-N -1 3 367.471 2.948 20 30 FFEDHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)c(=O)c2c1 ZINC000376475175 512834105 /nfs/dbraw/zinc/83/41/05/512834105.db2.gz QKXOZGAXFIIBNK-GHTZIAJQSA-N -1 3 365.433 2.904 20 30 FFEDHM N#Cc1ccc(OC2CCN(C(=O)/C=C/c3cncc([O-])c3)CC2)c(F)c1 ZINC000376481674 512837357 /nfs/dbraw/zinc/83/73/57/512837357.db2.gz YCRLNFQZGUDQBH-DUXPYHPUSA-N -1 3 367.380 2.881 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3c[n-]c4ccccc4c3=O)n2)c1 ZINC000374452100 512838546 /nfs/dbraw/zinc/83/85/46/512838546.db2.gz KHXQHJQOWARPCY-UHFFFAOYSA-N -1 3 369.384 2.720 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000376523634 512857077 /nfs/dbraw/zinc/85/70/77/512857077.db2.gz WPMLCLMAWBTFHM-BLVKFPJESA-N -1 3 369.396 2.986 20 30 FFEDHM CN(Cc1ccccc1)CC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000379708757 512871822 /nfs/dbraw/zinc/87/18/22/512871822.db2.gz WAZSTPYIFNKIRI-UHFFFAOYSA-N -1 3 363.508 2.809 20 30 FFEDHM CC(C)(C)OC(=O)C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000417653659 513139243 /nfs/dbraw/zinc/13/92/43/513139243.db2.gz AWKWTSVOUZHYFH-ZDUSSCGKSA-N -1 3 372.343 2.852 20 30 FFEDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000440378634 513304197 /nfs/dbraw/zinc/30/41/97/513304197.db2.gz AOPDPQVYQFBGFG-CHWSQXEVSA-N -1 3 362.373 2.669 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424965775 513345605 /nfs/dbraw/zinc/34/56/05/513345605.db2.gz GVBAEGJARAMRKK-FXAWDEMLSA-N -1 3 353.397 2.962 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)nn1 ZINC000415733225 513402976 /nfs/dbraw/zinc/40/29/76/513402976.db2.gz IHEKUCJOPJLGJZ-QWRGUYRKSA-N -1 3 359.455 2.796 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C[S@@](C)=O)c3)nc1-2 ZINC000429585455 513418029 /nfs/dbraw/zinc/41/80/29/513418029.db2.gz JKRYBDDERABWMM-DLUDVSRJSA-N -1 3 352.419 2.635 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000425177564 513439255 /nfs/dbraw/zinc/43/92/55/513439255.db2.gz GZWXDUJNJQKCFG-UWVGGRQHSA-N -1 3 369.336 2.594 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000429981448 513519807 /nfs/dbraw/zinc/51/98/07/513519807.db2.gz HIIJNPMHRAWYAQ-LBPRGKRZSA-N -1 3 372.874 2.726 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1cccc(F)c1 ZINC000435423805 513579901 /nfs/dbraw/zinc/57/99/01/513579901.db2.gz SBSAAKGARUDDST-LBPRGKRZSA-N -1 3 354.428 2.895 20 30 FFEDHM CN(CCC[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1F ZINC000435435193 513585989 /nfs/dbraw/zinc/58/59/89/513585989.db2.gz XFGPJTXYHPLTAK-UHFFFAOYSA-N -1 3 353.444 2.564 20 30 FFEDHM COc1ccc([C@@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435439659 513589111 /nfs/dbraw/zinc/58/91/11/513589111.db2.gz UHQBTBUHPBDOAX-BZNIZROVSA-N -1 3 366.464 2.683 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)ccc1C#N ZINC000435751490 513676045 /nfs/dbraw/zinc/67/60/45/513676045.db2.gz GKRNYDRPTREUMA-UHFFFAOYSA-N -1 3 359.382 2.691 20 30 FFEDHM COC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCC1 ZINC000416489123 513798932 /nfs/dbraw/zinc/79/89/32/513798932.db2.gz OZKAOHIWMODJBN-UHFFFAOYSA-N -1 3 373.272 2.558 20 30 FFEDHM COC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000416490609 513800652 /nfs/dbraw/zinc/80/06/52/513800652.db2.gz VRUKNPXATWQVDG-UHFFFAOYSA-N -1 3 373.272 2.558 20 30 FFEDHM C=CCC1(C[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CCCC1 ZINC000416493715 513801602 /nfs/dbraw/zinc/80/16/02/513801602.db2.gz IEFBHEUETGZRHZ-UHFFFAOYSA-N -1 3 354.403 2.675 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000416529198 513818613 /nfs/dbraw/zinc/81/86/13/513818613.db2.gz JJYFQEYWZQRMOB-UHFFFAOYSA-N -1 3 366.464 2.906 20 30 FFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CS1 ZINC000416593187 513854385 /nfs/dbraw/zinc/85/43/85/513854385.db2.gz PEOZWEGDKSZGAE-WPRPVWTQSA-N -1 3 350.387 2.749 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc(F)c(F)c1 ZINC000443070681 513862286 /nfs/dbraw/zinc/86/22/86/513862286.db2.gz LZSPQBGLRYWRDL-UHFFFAOYSA-N -1 3 372.780 2.847 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCCC[C@H]1C ZINC000443101379 513872768 /nfs/dbraw/zinc/87/27/68/513872768.db2.gz CORKOZCRLGBSEB-CHWSQXEVSA-N -1 3 355.891 2.753 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OC(C)C ZINC000443133061 513883229 /nfs/dbraw/zinc/88/32/29/513883229.db2.gz UEEWPBCAYHNVRM-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000443338982 513942201 /nfs/dbraw/zinc/94/22/01/513942201.db2.gz BNRALVVSNPMMQT-OAHLLOKOSA-N -1 3 352.362 2.502 20 30 FFEDHM CC1(C)Cc2ccc(C(=O)NCC(=O)c3ccc(C#N)cc3)c([O-])c2O1 ZINC000436699106 513946927 /nfs/dbraw/zinc/94/69/27/513946927.db2.gz ORMFOKGPAOFMCG-UHFFFAOYSA-N -1 3 350.374 2.590 20 30 FFEDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443359857 513949638 /nfs/dbraw/zinc/94/96/38/513949638.db2.gz KKEUBBKRHRIDSK-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000437002191 514072109 /nfs/dbraw/zinc/07/21/09/514072109.db2.gz POBBZNYQTBMMIL-OAHLLOKOSA-N -1 3 371.824 2.774 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000416966175 514073088 /nfs/dbraw/zinc/07/30/88/514073088.db2.gz VMFFIAGEBOLYJW-AWEZNQCLSA-N -1 3 371.890 2.857 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1OCCN(C)C ZINC000414385376 514082777 /nfs/dbraw/zinc/08/27/77/514082777.db2.gz FHYGOONLIHELDB-UHFFFAOYSA-N -1 3 373.478 2.802 20 30 FFEDHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1 ZINC000451961924 514096694 /nfs/dbraw/zinc/09/66/94/514096694.db2.gz VEEPRDPSWILBRE-UHFFFAOYSA-N -1 3 359.329 2.606 20 30 FFEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1CCNCC1(F)F ZINC000423874483 514273088 /nfs/dbraw/zinc/27/30/88/514273088.db2.gz NLVIJVCNFNRVHV-WRWORJQWSA-N -1 3 358.257 2.929 20 30 FFEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C#N)cc(N(C)C)c3)cc2)n1 ZINC000432881012 514311691 /nfs/dbraw/zinc/31/16/91/514311691.db2.gz ZQLIRGGJBWYWRA-UHFFFAOYSA-N -1 3 373.416 2.935 20 30 FFEDHM COc1ccccc1-c1nc([N-]C(=O)c2ncc(C#N)cc2Cl)n[nH]1 ZINC000427903950 514342208 /nfs/dbraw/zinc/34/22/08/514342208.db2.gz KEFUNTJQCOBNAC-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM Cc1cc(S(=O)(=O)CC(=O)[N-]c2cc(C(C)(C)C)no2)ccc1C#N ZINC000424200728 514412893 /nfs/dbraw/zinc/41/28/93/514412893.db2.gz FDXUARCSUVYSSH-UHFFFAOYSA-N -1 3 361.423 2.565 20 30 FFEDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428263581 514436347 /nfs/dbraw/zinc/43/63/47/514436347.db2.gz WNSFYUIAGJUPKR-BZNIZROVSA-N -1 3 365.842 2.661 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccnc2C#N)C[C@@H]1OCc1ccccc1 ZINC000428398879 514466846 /nfs/dbraw/zinc/46/68/46/514466846.db2.gz AEYJZFGIPLZOIF-MSOLQXFVSA-N -1 3 371.462 2.615 20 30 FFEDHM C=C(C)CCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000452718781 514473023 /nfs/dbraw/zinc/47/30/23/514473023.db2.gz QXPSIPKOHZBMBL-UHFFFAOYSA-N -1 3 372.469 2.973 20 30 FFEDHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1)OC ZINC000421146822 514503396 /nfs/dbraw/zinc/50/33/96/514503396.db2.gz CPFYLOYOFBINAL-NSHDSACASA-N -1 3 352.334 2.624 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)OC(F)(F)O2)c1nnc2n1CCCCC2 ZINC000453624275 514733336 /nfs/dbraw/zinc/73/33/36/514733336.db2.gz QBNJSAOORDHTPZ-LLVKDONJSA-N -1 3 360.320 2.816 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000489518046 514879189 /nfs/dbraw/zinc/87/91/89/514879189.db2.gz SFSYGOOZHANXBO-INIZCTEOSA-N -1 3 352.362 2.502 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c1 ZINC000480417478 514949024 /nfs/dbraw/zinc/94/90/24/514949024.db2.gz OQWFXRCROGNRJC-UHFFFAOYSA-N -1 3 365.199 2.644 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2c(F)cccc2F)c(Cl)c1 ZINC000503481132 515049297 /nfs/dbraw/zinc/04/92/97/515049297.db2.gz ZSNPKSVLQKWIDC-CYBMUJFWSA-N -1 3 372.780 2.502 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c(F)c1 ZINC000480708528 515054919 /nfs/dbraw/zinc/05/49/19/515054919.db2.gz LQYYTWJMEOQEEN-HNNXBMFYSA-N -1 3 366.801 2.904 20 30 FFEDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000490642811 515271426 /nfs/dbraw/zinc/27/14/26/515271426.db2.gz GNHBPMOVICDBMG-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000472444861 515272671 /nfs/dbraw/zinc/27/26/71/515272671.db2.gz TUAQAQJQLRUPQF-MRXNPFEDSA-N -1 3 363.373 2.762 20 30 FFEDHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2C)no1 ZINC000477143109 515345672 /nfs/dbraw/zinc/34/56/72/515345672.db2.gz ZMQZJANLSLXXFW-UHFFFAOYSA-N -1 3 368.418 2.704 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)C3(c4cccc(C#N)c4)CC3)[n-]c21 ZINC000494138823 515745308 /nfs/dbraw/zinc/74/53/08/515745308.db2.gz MICGMTRILYYPGM-UHFFFAOYSA-N -1 3 360.373 2.891 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)C3(c4cccc(C#N)c4)CC3)nc21 ZINC000494138823 515745318 /nfs/dbraw/zinc/74/53/18/515745318.db2.gz MICGMTRILYYPGM-UHFFFAOYSA-N -1 3 360.373 2.891 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](CO)CC1CCCC1 ZINC000500602729 515787389 /nfs/dbraw/zinc/78/73/89/515787389.db2.gz VRLKZHHJNINCPJ-MRXNPFEDSA-N -1 3 359.470 2.513 20 30 FFEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000487501285 515883622 /nfs/dbraw/zinc/88/36/22/515883622.db2.gz LEPIJAYXZGHZNL-QGZVFWFLSA-N -1 3 372.450 2.618 20 30 FFEDHM C=CCOc1cccnc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511389149 515887549 /nfs/dbraw/zinc/88/75/49/515887549.db2.gz AXWVHFRRXHBIQA-UHFFFAOYSA-N -1 3 373.210 2.731 20 30 FFEDHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500961750 515917329 /nfs/dbraw/zinc/91/73/29/515917329.db2.gz BQWLKQQCAWIITF-KRWDZBQOSA-N -1 3 360.410 2.867 20 30 FFEDHM N#Cc1ccc(C(=O)[N-]c2ccccc2S(=O)(=O)N2CCCCC2)o1 ZINC000460007607 515971211 /nfs/dbraw/zinc/97/12/11/515971211.db2.gz GMTUKTHHGKDLJI-UHFFFAOYSA-N -1 3 359.407 2.578 20 30 FFEDHM C[C@H](Sc1ccc(C#N)cn1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000495268396 516123658 /nfs/dbraw/zinc/12/36/58/516123658.db2.gz WINDOZHVEUQUHR-NSHDSACASA-N -1 3 361.448 2.688 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488442768 516227165 /nfs/dbraw/zinc/22/71/65/516227165.db2.gz FUOXZQCGVAVDAO-GXTWGEPZSA-N -1 3 372.874 2.582 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000543619827 516331215 /nfs/dbraw/zinc/33/12/15/516331215.db2.gz KADOLZUHCLDDPU-CYBMUJFWSA-N -1 3 372.780 2.502 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)CCCC1 ZINC000543620569 516331650 /nfs/dbraw/zinc/33/16/50/516331650.db2.gz WNBSKNUPBQWXFQ-CYBMUJFWSA-N -1 3 360.838 2.516 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc2c(c1)OCCO2 ZINC000557791640 516440773 /nfs/dbraw/zinc/44/07/73/516440773.db2.gz WGWGPVHOYSEQDI-KRWDZBQOSA-N -1 3 362.407 2.598 20 30 FFEDHM Cc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)cn1 ZINC000550825221 516443030 /nfs/dbraw/zinc/44/30/30/516443030.db2.gz YBODBMNVJHMVMC-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)COc1cccc(F)c1 ZINC000513086423 516466208 /nfs/dbraw/zinc/46/62/08/516466208.db2.gz RHSOBOOEHUZGOH-GFCCVEGCSA-N -1 3 371.412 2.931 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000523568767 516508320 /nfs/dbraw/zinc/50/83/20/516508320.db2.gz FQSWNYLFMJQVPI-KRWDZBQOSA-N -1 3 373.453 2.640 20 30 FFEDHM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000518383377 516637751 /nfs/dbraw/zinc/63/77/51/516637751.db2.gz LFNGYZKTTSXEEP-GXFFZTMASA-N -1 3 364.389 2.652 20 30 FFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000561559463 516652374 /nfs/dbraw/zinc/65/23/74/516652374.db2.gz LUEIDDPHUFJGQV-UHFFFAOYSA-N -1 3 369.874 2.833 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(OC2CCCC2)cc1 ZINC000551483876 516726889 /nfs/dbraw/zinc/72/68/89/516726889.db2.gz CJUAUMYGFBLWOE-UHFFFAOYSA-N -1 3 357.435 2.753 20 30 FFEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c1 ZINC000558599938 516830560 /nfs/dbraw/zinc/83/05/60/516830560.db2.gz WAFLRTIFPIKJEC-AWEZNQCLSA-N -1 3 373.272 2.569 20 30 FFEDHM C[C@@H](Sc1cc(C#N)ccn1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000514434643 516929420 /nfs/dbraw/zinc/92/94/20/516929420.db2.gz MCIWQJXTCRDKQX-LLVKDONJSA-N -1 3 361.448 2.688 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC(CCC#N)CC1 ZINC000514732246 517029786 /nfs/dbraw/zinc/02/97/86/517029786.db2.gz UZZCCHLWIVDOHH-UHFFFAOYSA-N -1 3 353.426 2.707 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1)C1CC1 ZINC000514789410 517057267 /nfs/dbraw/zinc/05/72/67/517057267.db2.gz AFUPLYXDHWYORB-MRXNPFEDSA-N -1 3 352.456 2.902 20 30 FFEDHM CC[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)OCCc2ccccc21 ZINC000520460567 517401187 /nfs/dbraw/zinc/40/11/87/517401187.db2.gz DTQNYMIKGJIZDE-LJQANCHMSA-N -1 3 374.437 2.854 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000546075439 517530033 /nfs/dbraw/zinc/53/00/33/517530033.db2.gz LMUJQMJRSDZOML-CZUORRHYSA-N -1 3 354.447 2.905 20 30 FFEDHM Cc1nsc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1C#N ZINC000553251118 517601783 /nfs/dbraw/zinc/60/17/83/517601783.db2.gz DBQORCHLEVJLRR-UHFFFAOYSA-N -1 3 374.850 2.506 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cccc(CC#N)c3)n2)cc1 ZINC000546335276 517644378 /nfs/dbraw/zinc/64/43/78/517644378.db2.gz CJIGATJMWKMBGX-UHFFFAOYSA-N -1 3 354.391 2.841 20 30 FFEDHM C[C@]1(c2cccc(NC(=O)c3ccc(Cl)c(C#N)c3)c2)NC(=O)[N-]C1=O ZINC000538685678 517722035 /nfs/dbraw/zinc/72/20/35/517722035.db2.gz LEUMJOGFAUNAQL-GOSISDBHSA-N -1 3 368.780 2.519 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OC(C)(C)C ZINC000521486647 517752869 /nfs/dbraw/zinc/75/28/69/517752869.db2.gz YMXXYZIFDONRPR-GFCCVEGCSA-N -1 3 358.847 2.610 20 30 FFEDHM CN1CCC(C#N)(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000538744576 517759807 /nfs/dbraw/zinc/75/98/07/517759807.db2.gz ADGZULHJPSNWPO-UHFFFAOYSA-N -1 3 351.406 2.902 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO[C@@H]1C1CC1 ZINC000546636423 517768226 /nfs/dbraw/zinc/76/82/26/517768226.db2.gz UKWZNBBOVSROHC-HZPDHXFCSA-N -1 3 354.859 2.695 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000549914961 517778959 /nfs/dbraw/zinc/77/89/59/517778959.db2.gz FGNUXRILDKGKEB-NSHDSACASA-N -1 3 361.370 2.905 20 30 FFEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000521572703 517778975 /nfs/dbraw/zinc/77/89/75/517778975.db2.gz QVXXCBWBEOIQQA-UHFFFAOYSA-N -1 3 358.463 2.929 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(C)C)C1(CO)CCC1 ZINC000517058711 518004401 /nfs/dbraw/zinc/00/44/01/518004401.db2.gz JEGZXESYPAJADM-SFHVURJKSA-N -1 3 359.470 2.512 20 30 FFEDHM CCc1cc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)ccc1[O-] ZINC000557517348 518050251 /nfs/dbraw/zinc/05/02/51/518050251.db2.gz AAFBRLGQCXAUAE-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2F)CC1 ZINC000534904093 518077894 /nfs/dbraw/zinc/07/78/94/518077894.db2.gz NPRGWBANDVUGHK-UHFFFAOYSA-N -1 3 366.364 2.986 20 30 FFEDHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)CCO2 ZINC000547343091 518089220 /nfs/dbraw/zinc/08/92/20/518089220.db2.gz FAKDEOHDBJBWHR-HNNXBMFYSA-N -1 3 362.382 2.508 20 30 FFEDHM CC(=O)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1O ZINC000584545633 518392492 /nfs/dbraw/zinc/39/24/92/518392492.db2.gz BIVPSJFJEWVKIR-UHFFFAOYSA-N -1 3 353.378 2.755 20 30 FFEDHM CC[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000564358082 518416497 /nfs/dbraw/zinc/41/64/97/518416497.db2.gz OORDFXZZUIBJSG-IBGZPJMESA-N -1 3 374.437 2.854 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)c1ccc(Cl)cc1 ZINC000579269302 518600914 /nfs/dbraw/zinc/60/09/14/518600914.db2.gz KKOLDUNAGLSZQK-AWEZNQCLSA-N -1 3 371.245 2.877 20 30 FFEDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589194113 518947218 /nfs/dbraw/zinc/94/72/18/518947218.db2.gz YUDNUJFGDBZIBM-CQSZACIVSA-N -1 3 350.422 2.614 20 30 FFEDHM C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)[C@@H](CC)CCC)cc1 ZINC000565429384 518952521 /nfs/dbraw/zinc/95/25/21/518952521.db2.gz YJDAXJRRQRCVER-HNNXBMFYSA-N -1 3 374.528 2.814 20 30 FFEDHM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)NCCCF ZINC000577349058 519034622 /nfs/dbraw/zinc/03/46/22/519034622.db2.gz NWNWYVQJNSZZLG-SNVBAGLBSA-N -1 3 374.256 2.901 20 30 FFEDHM Cc1ccnc([C@H]2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)c1 ZINC000574290987 519083562 /nfs/dbraw/zinc/08/35/62/519083562.db2.gz ARXRQGPZGMJOBN-INIZCTEOSA-N -1 3 364.449 2.928 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000565779178 519129532 /nfs/dbraw/zinc/12/95/32/519129532.db2.gz VTNRKHHSMSBUQJ-MRXNPFEDSA-N -1 3 350.422 2.619 20 30 FFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cn([C@H]4CCOC4)nn3)sc2C1 ZINC000571829092 519295259 /nfs/dbraw/zinc/29/52/59/519295259.db2.gz IQQHZIDGZUAPPQ-QWRGUYRKSA-N -1 3 357.439 2.550 20 30 FFEDHM N#Cc1ccc(OC2CCC(NC(=O)Cc3ccc([O-])c(F)c3)CC2)nc1 ZINC000574720662 519297901 /nfs/dbraw/zinc/29/79/01/519297901.db2.gz YRKRRGZHEXBSLS-UHFFFAOYSA-N -1 3 369.396 2.847 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OC(C)(C)C ZINC000568952601 519298559 /nfs/dbraw/zinc/29/85/59/519298559.db2.gz FPCUVPOAKWWRGH-GFCCVEGCSA-N -1 3 358.847 2.610 20 30 FFEDHM N#Cc1ccccc1OC1CCC(NC(=O)Cc2cncc([O-])c2)CC1 ZINC000566468945 519510143 /nfs/dbraw/zinc/51/01/43/519510143.db2.gz BUEZDEDITASAFD-UHFFFAOYSA-N -1 3 351.406 2.708 20 30 FFEDHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000594490372 520000623 /nfs/dbraw/zinc/00/06/23/520000623.db2.gz SZJQURGWRHEZCM-CQSZACIVSA-N -1 3 372.874 2.856 20 30 FFEDHM Cn1cc(Br)c(=NC(=O)N[C@@H](CCC#N)c2ccccc2)[n-]1 ZINC000603043541 520043456 /nfs/dbraw/zinc/04/34/56/520043456.db2.gz LCYNWZRYYDOLOC-ZDUSSCGKSA-N -1 3 362.231 2.771 20 30 FFEDHM CCC(O)(CC)C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594762341 520142546 /nfs/dbraw/zinc/14/25/46/520142546.db2.gz QBQDYNJVEQDJEV-UHFFFAOYSA-N -1 3 352.481 2.911 20 30 FFEDHM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594766291 520143336 /nfs/dbraw/zinc/14/33/36/520143336.db2.gz HIILURVWBMXIDB-SCOBNMCVSA-N -1 3 350.465 2.687 20 30 FFEDHM CSc1ccc([O-])c(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000597669716 520167438 /nfs/dbraw/zinc/16/74/38/520167438.db2.gz XSOPJKSKTSUXDR-UHFFFAOYSA-N -1 3 374.491 2.713 20 30 FFEDHM N#CC1(CC(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)CCOCC1 ZINC000597680795 520172774 /nfs/dbraw/zinc/17/27/74/520172774.db2.gz SDLVDLOSKRABBU-UHFFFAOYSA-N -1 3 362.393 2.669 20 30 FFEDHM N#CC1(CC(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)CCOCC1 ZINC000597680795 520172781 /nfs/dbraw/zinc/17/27/81/520172781.db2.gz SDLVDLOSKRABBU-UHFFFAOYSA-N -1 3 362.393 2.669 20 30 FFEDHM N#CC1(CC(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CCOCC1 ZINC000597680795 520172787 /nfs/dbraw/zinc/17/27/87/520172787.db2.gz SDLVDLOSKRABBU-UHFFFAOYSA-N -1 3 362.393 2.669 20 30 FFEDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)O1 ZINC000594853067 520188963 /nfs/dbraw/zinc/18/89/63/520188963.db2.gz WLBHOWWZYILGJA-PWSUYJOCSA-N -1 3 362.373 2.813 20 30 FFEDHM C=C1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)CC1 ZINC000594860197 520194071 /nfs/dbraw/zinc/19/40/71/520194071.db2.gz FRJJOUIFKIIPQT-UHFFFAOYSA-N -1 3 366.464 2.612 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2Cl)CCC1 ZINC000595371911 520435449 /nfs/dbraw/zinc/43/54/49/520435449.db2.gz VVRJTBVAWQXOSL-GFCCVEGCSA-N -1 3 363.266 2.640 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)s1 ZINC000613344352 520457378 /nfs/dbraw/zinc/45/73/78/520457378.db2.gz ABLVMECFSZGGJC-BMIGLBTASA-N -1 3 357.501 2.552 20 30 FFEDHM COc1cccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1[O-] ZINC000598252413 520520889 /nfs/dbraw/zinc/52/08/89/520520889.db2.gz SIOYLRSMVDHPLQ-UHFFFAOYSA-N -1 3 352.390 2.708 20 30 FFEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000610084268 520534001 /nfs/dbraw/zinc/53/40/01/520534001.db2.gz FGCKRUAMTGXGME-UHFFFAOYSA-N -1 3 360.410 2.716 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000610338927 520641736 /nfs/dbraw/zinc/64/17/36/520641736.db2.gz FILPQCHEKNSGKZ-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000598620565 520747956 /nfs/dbraw/zinc/74/79/56/520747956.db2.gz CFODTUFKYJBVEX-SECBINFHSA-N -1 3 354.300 2.901 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000601460396 520797581 /nfs/dbraw/zinc/79/75/81/520797581.db2.gz FSHVZPFRPXGWIR-OCCSQVGLSA-N -1 3 362.373 2.531 20 30 FFEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C)C4)nn2c1 ZINC000598799806 520848842 /nfs/dbraw/zinc/84/88/42/520848842.db2.gz JVRZYGGXZZCGST-SECBINFHSA-N -1 3 352.423 2.743 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c(F)c1 ZINC000593278264 520874903 /nfs/dbraw/zinc/87/49/03/520874903.db2.gz IQXCQSGJFTYSKS-MRXNPFEDSA-N -1 3 356.419 2.609 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3nc4c(s3)CCC4)sc2C1 ZINC000598889733 520904020 /nfs/dbraw/zinc/90/40/20/520904020.db2.gz BTGHSRWWRKCZDZ-UHFFFAOYSA-N -1 3 372.475 2.722 20 30 FFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1cccs1 ZINC000618175928 520918710 /nfs/dbraw/zinc/91/87/10/520918710.db2.gz YQTOUIPPQVDZDI-AWEZNQCLSA-N -1 3 364.448 2.511 20 30 FFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C12CCC2 ZINC000611023239 520951127 /nfs/dbraw/zinc/95/11/27/520951127.db2.gz FBDJRJPZPCGSKL-CABCVRRESA-N -1 3 354.859 2.838 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H]2CCCO[C@H]21 ZINC000611024996 520952335 /nfs/dbraw/zinc/95/23/35/520952335.db2.gz VDBNTBXIBKVSAI-NWANDNLSSA-N -1 3 354.859 2.694 20 30 FFEDHM COC(=O)C(C)(C)[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000611026661 520952420 /nfs/dbraw/zinc/95/24/20/520952420.db2.gz MEMIGTVHXGYPOI-KRWDZBQOSA-N -1 3 372.446 2.777 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1Cl ZINC000593525137 521049570 /nfs/dbraw/zinc/04/95/70/521049570.db2.gz JTJNWFNPPTXLOW-ZDUSSCGKSA-N -1 3 369.899 2.854 20 30 FFEDHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593525394 521049872 /nfs/dbraw/zinc/04/98/72/521049872.db2.gz DSUUKWKJWSAYTC-JTQLQIEISA-N -1 3 352.437 2.676 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCN(Cc2ccccc2)C1 ZINC000593529593 521052458 /nfs/dbraw/zinc/05/24/58/521052458.db2.gz CFJHILVOLOCVLS-HNNXBMFYSA-N -1 3 361.492 2.563 20 30 FFEDHM C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593535502 521056938 /nfs/dbraw/zinc/05/69/38/521056938.db2.gz LJARRXQCXOAFIW-DZGCQCFKSA-N -1 3 361.492 2.734 20 30 FFEDHM C[C@@H]1[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CCN1Cc1ccccc1 ZINC000593597670 521099842 /nfs/dbraw/zinc/09/98/42/521099842.db2.gz ZEGCOLRLHACFFJ-HIFRSBDPSA-N -1 3 361.492 2.561 20 30 FFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)cc1Cl ZINC000593621092 521112009 /nfs/dbraw/zinc/11/20/09/521112009.db2.gz SWGNOZOGZDUIDX-UHFFFAOYSA-N -1 3 373.837 2.800 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599378066 521185238 /nfs/dbraw/zinc/18/52/38/521185238.db2.gz VOBSCXUSXNEHPB-BYCMXARLSA-N -1 3 350.852 2.890 20 30 FFEDHM COc1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c([O-])c1 ZINC000602187693 521198400 /nfs/dbraw/zinc/19/84/00/521198400.db2.gz UKPQYPRFCQBQQS-UHFFFAOYSA-N -1 3 351.406 2.989 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC000599411059 521204033 /nfs/dbraw/zinc/20/40/33/521204033.db2.gz BSOVJCYEBNQLPZ-KRWDZBQOSA-N -1 3 372.406 2.681 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000602195964 521204421 /nfs/dbraw/zinc/20/44/21/521204421.db2.gz SCHMPPMPRAAVCP-CYBMUJFWSA-N -1 3 350.422 2.816 20 30 FFEDHM CC(C)CCO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2C#N)CC1 ZINC000599431228 521219495 /nfs/dbraw/zinc/21/94/95/521219495.db2.gz ANIYZGGWFUPGCU-SHTZXODSSA-N -1 3 351.472 2.605 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3c(F)ccc([O-])c3F)CC2)c1 ZINC000593885586 521272520 /nfs/dbraw/zinc/27/25/20/521272520.db2.gz FZDLQXXQZMTJEL-UHFFFAOYSA-N -1 3 371.387 2.936 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000593885289 521272697 /nfs/dbraw/zinc/27/26/97/521272697.db2.gz APFFKFZMDQEHNO-UHFFFAOYSA-N -1 3 353.397 2.797 20 30 FFEDHM C[C@@]1(c2ccc(NC(=O)CC3(C#N)CCCCC3)cc2)NC(=O)[N-]C1=O ZINC000596811384 521303176 /nfs/dbraw/zinc/30/31/76/521303176.db2.gz CHXXQKMILOMZTJ-SFHVURJKSA-N -1 3 354.410 2.544 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000626473897 522216455 /nfs/dbraw/zinc/21/64/55/522216455.db2.gz LPVAMXPHLCOIET-GFCCVEGCSA-N -1 3 367.446 2.696 20 30 FFEDHM C=CCn1c(CCC(C)C)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634341166 523357550 /nfs/dbraw/zinc/35/75/50/523357550.db2.gz NAXRNILWPIETDT-UHFFFAOYSA-N -1 3 357.506 2.681 20 30 FFEDHM Cn1[n-]c(=NC(=O)CSCc2ccc(C#N)cc2)cc1OC(F)F ZINC000490928937 561440481 /nfs/dbraw/zinc/44/04/81/561440481.db2.gz UMHSJKACEVZXGJ-UHFFFAOYSA-N -1 3 352.366 2.765 20 30 FFEDHM O=[N+]([O-])c1ccc(Cl)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823640171 607252751 /nfs/dbraw/zinc/25/27/51/607252751.db2.gz WMHPXWKUEDAFSZ-UHFFFAOYSA-N -1 3 357.761 2.552 20 30 FFEDHM O=[N+]([O-])c1ccc(Cl)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823640171 607252752 /nfs/dbraw/zinc/25/27/52/607252752.db2.gz WMHPXWKUEDAFSZ-UHFFFAOYSA-N -1 3 357.761 2.552 20 30 FFEDHM N#Cc1cc(NC(=O)CCCOc2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC000737706710 598925770 /nfs/dbraw/zinc/92/57/70/598925770.db2.gz YENIRQXMFVSSRZ-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM N#Cc1cc(NC(=O)CCCOc2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC000737706710 598925771 /nfs/dbraw/zinc/92/57/71/598925771.db2.gz YENIRQXMFVSSRZ-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000737307064 598928745 /nfs/dbraw/zinc/92/87/45/598928745.db2.gz FTIBPYNJKQNPNC-UHFFFAOYSA-N -1 3 374.404 2.957 20 30 FFEDHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC000737307064 598928747 /nfs/dbraw/zinc/92/87/47/598928747.db2.gz FTIBPYNJKQNPNC-UHFFFAOYSA-N -1 3 374.404 2.957 20 30 FFEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820832453 607253498 /nfs/dbraw/zinc/25/34/98/607253498.db2.gz KHEOVCQGVATJPE-UHFFFAOYSA-N -1 3 351.370 2.679 20 30 FFEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820832453 607253499 /nfs/dbraw/zinc/25/34/99/607253499.db2.gz KHEOVCQGVATJPE-UHFFFAOYSA-N -1 3 351.370 2.679 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735974544 598967517 /nfs/dbraw/zinc/96/75/17/598967517.db2.gz LMSRYMQZLXJCSO-ZDUSSCGKSA-N -1 3 363.377 2.905 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735974544 598967518 /nfs/dbraw/zinc/96/75/18/598967518.db2.gz LMSRYMQZLXJCSO-ZDUSSCGKSA-N -1 3 363.377 2.905 20 30 FFEDHM C#CCN(CC)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735374144 598996582 /nfs/dbraw/zinc/99/65/82/598996582.db2.gz DGNURDNGAJFHJF-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM N#Cc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1F ZINC000737721929 599167575 /nfs/dbraw/zinc/16/75/75/599167575.db2.gz OUJRPMVMEHCDBL-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1ccc(OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1F ZINC000737721929 599167577 /nfs/dbraw/zinc/16/75/77/599167577.db2.gz OUJRPMVMEHCDBL-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC000736203987 599193489 /nfs/dbraw/zinc/19/34/89/599193489.db2.gz PXPZRXXCLLHWIA-FQEVSTJZSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC000736203987 599193492 /nfs/dbraw/zinc/19/34/92/599193492.db2.gz PXPZRXXCLLHWIA-FQEVSTJZSA-N -1 3 358.405 2.971 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(-c3ccccn3)s2)cc1-c1nnn[n-]1 ZINC000737719354 599195237 /nfs/dbraw/zinc/19/52/37/599195237.db2.gz PGWTVZMMKILEAC-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(-c3ccccn3)s2)cc1-c1nn[n-]n1 ZINC000737719354 599195239 /nfs/dbraw/zinc/19/52/39/599195239.db2.gz PGWTVZMMKILEAC-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2OCC2CC2)cc1-c1nnn[n-]1 ZINC000737719743 599198764 /nfs/dbraw/zinc/19/87/64/599198764.db2.gz VJTJXYRRYDDLHM-UHFFFAOYSA-N -1 3 360.377 2.779 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2OCC2CC2)cc1-c1nn[n-]n1 ZINC000737719743 599198766 /nfs/dbraw/zinc/19/87/66/599198766.db2.gz VJTJXYRRYDDLHM-UHFFFAOYSA-N -1 3 360.377 2.779 20 30 FFEDHM COc1cccc2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)oc21 ZINC000737142660 599199770 /nfs/dbraw/zinc/19/97/70/599199770.db2.gz LTROISWDMGPKIJ-UHFFFAOYSA-N -1 3 360.333 2.745 20 30 FFEDHM COc1cccc2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)oc21 ZINC000737142660 599199771 /nfs/dbraw/zinc/19/97/71/599199771.db2.gz LTROISWDMGPKIJ-UHFFFAOYSA-N -1 3 360.333 2.745 20 30 FFEDHM N#Cc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1-c1nnn[n-]1 ZINC000737717950 599200680 /nfs/dbraw/zinc/20/06/80/599200680.db2.gz CNHWFIFGEFQPET-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1-c1nn[n-]n1 ZINC000737717950 599200681 /nfs/dbraw/zinc/20/06/81/599200681.db2.gz CNHWFIFGEFQPET-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819709289 599239367 /nfs/dbraw/zinc/23/93/67/599239367.db2.gz AYTIOSOYQCXKDC-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819709289 599239368 /nfs/dbraw/zinc/23/93/68/599239368.db2.gz AYTIOSOYQCXKDC-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM C=CCSCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819758665 599285938 /nfs/dbraw/zinc/28/59/38/599285938.db2.gz DWXDEKJWZRCHAO-UHFFFAOYSA-N -1 3 372.376 2.926 20 30 FFEDHM C=CCSCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819758665 599285940 /nfs/dbraw/zinc/28/59/40/599285940.db2.gz DWXDEKJWZRCHAO-UHFFFAOYSA-N -1 3 372.376 2.926 20 30 FFEDHM C=C(C)CN(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735397663 598264509 /nfs/dbraw/zinc/26/45/09/598264509.db2.gz BPFGFMJMKLUBKE-UHFFFAOYSA-N -1 3 352.345 2.898 20 30 FFEDHM C=C(C)CN(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735397663 598264510 /nfs/dbraw/zinc/26/45/10/598264510.db2.gz BPFGFMJMKLUBKE-UHFFFAOYSA-N -1 3 352.345 2.898 20 30 FFEDHM CN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736739373 598279109 /nfs/dbraw/zinc/27/91/09/598279109.db2.gz MRFMODQXLGJJRA-UHFFFAOYSA-N -1 3 368.397 2.633 20 30 FFEDHM CN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736739373 598279110 /nfs/dbraw/zinc/27/91/10/598279110.db2.gz MRFMODQXLGJJRA-UHFFFAOYSA-N -1 3 368.397 2.633 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccccc1C#N ZINC000735654226 598485854 /nfs/dbraw/zinc/48/58/54/598485854.db2.gz BWGBKTWNXXONFG-CMDGGOBGSA-N -1 3 361.409 2.947 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccccc1C#N ZINC000735654226 598485856 /nfs/dbraw/zinc/48/58/56/598485856.db2.gz BWGBKTWNXXONFG-CMDGGOBGSA-N -1 3 361.409 2.947 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737721260 598543962 /nfs/dbraw/zinc/54/39/62/598543962.db2.gz IKNZQEPZCGWRMN-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737721260 598543964 /nfs/dbraw/zinc/54/39/64/598543964.db2.gz IKNZQEPZCGWRMN-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC[C@H]1CCCc2ccccc21 ZINC000737703810 598547122 /nfs/dbraw/zinc/54/71/22/598547122.db2.gz BUFNQTMIKZRBBA-GFCCVEGCSA-N -1 3 363.450 2.928 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC[C@H]1CCCc2ccccc21 ZINC000737703810 598547124 /nfs/dbraw/zinc/54/71/24/598547124.db2.gz BUFNQTMIKZRBBA-GFCCVEGCSA-N -1 3 363.450 2.928 20 30 FFEDHM Cc1c(C(=O)C=C2COc3ccc(F)cc32)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202110 598639077 /nfs/dbraw/zinc/63/90/77/598639077.db2.gz JUQDMFYDHODGHC-XFFZJAGNSA-N -1 3 365.368 2.721 20 30 FFEDHM Cc1c(C(=O)C=C2COc3ccc(F)cc32)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202110 598639079 /nfs/dbraw/zinc/63/90/79/598639079.db2.gz JUQDMFYDHODGHC-XFFZJAGNSA-N -1 3 365.368 2.721 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(N(C)C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201240 598640807 /nfs/dbraw/zinc/64/08/07/598640807.db2.gz APJMKQHAPXRQOB-FLIBITNWSA-N -1 3 362.437 2.885 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(N(C)C)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201240 598640808 /nfs/dbraw/zinc/64/08/08/598640808.db2.gz APJMKQHAPXRQOB-FLIBITNWSA-N -1 3 362.437 2.885 20 30 FFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735691171 598689414 /nfs/dbraw/zinc/68/94/14/598689414.db2.gz MZMOCEIIAOKHDQ-QGZVFWFLSA-N -1 3 362.393 2.937 20 30 FFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735691171 598689415 /nfs/dbraw/zinc/68/94/15/598689415.db2.gz MZMOCEIIAOKHDQ-QGZVFWFLSA-N -1 3 362.393 2.937 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735419020 598695460 /nfs/dbraw/zinc/69/54/60/598695460.db2.gz OTGXKUQMBWFXGX-GFCCVEGCSA-N -1 3 361.446 2.828 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735419020 598695461 /nfs/dbraw/zinc/69/54/61/598695461.db2.gz OTGXKUQMBWFXGX-GFCCVEGCSA-N -1 3 361.446 2.828 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000819743727 599317403 /nfs/dbraw/zinc/31/74/03/599317403.db2.gz PDILWPJAOROXHZ-RHSMWYFYSA-N -1 3 355.442 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000819743727 599317406 /nfs/dbraw/zinc/31/74/06/599317406.db2.gz PDILWPJAOROXHZ-RHSMWYFYSA-N -1 3 355.442 2.729 20 30 FFEDHM N#CC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CCC1 ZINC000737675745 599373511 /nfs/dbraw/zinc/37/35/11/599373511.db2.gz RKVNMBUNLWPBEQ-UHFFFAOYSA-N -1 3 361.365 2.686 20 30 FFEDHM N#CC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CCC1 ZINC000737675745 599373513 /nfs/dbraw/zinc/37/35/13/599373513.db2.gz RKVNMBUNLWPBEQ-UHFFFAOYSA-N -1 3 361.365 2.686 20 30 FFEDHM C(=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccs1 ZINC000819718617 599381765 /nfs/dbraw/zinc/38/17/65/599381765.db2.gz LJPZVQSQVDDDIK-UHFFFAOYSA-N -1 3 353.367 2.529 20 30 FFEDHM C(=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1cccs1 ZINC000819718617 599381768 /nfs/dbraw/zinc/38/17/68/599381768.db2.gz LJPZVQSQVDDDIK-UHFFFAOYSA-N -1 3 353.367 2.529 20 30 FFEDHM CON=Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826166244 607405597 /nfs/dbraw/zinc/40/55/97/607405597.db2.gz AAGWDIBQTSNBSP-UHFFFAOYSA-N -1 3 351.366 2.512 20 30 FFEDHM CON=Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826166244 607405599 /nfs/dbraw/zinc/40/55/99/607405599.db2.gz AAGWDIBQTSNBSP-UHFFFAOYSA-N -1 3 351.366 2.512 20 30 FFEDHM N#CCC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826381529 607447186 /nfs/dbraw/zinc/44/71/86/607447186.db2.gz PDYAXPKCUPWYMM-OAHLLOKOSA-N -1 3 368.347 2.920 20 30 FFEDHM N#CCC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381529 607447187 /nfs/dbraw/zinc/44/71/87/607447187.db2.gz PDYAXPKCUPWYMM-OAHLLOKOSA-N -1 3 368.347 2.920 20 30 FFEDHM CCC(CC)CN(CCC#N)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000820893970 607453736 /nfs/dbraw/zinc/45/37/36/607453736.db2.gz YZBPXOVDYAQFPQ-UHFFFAOYSA-N -1 3 373.461 2.667 20 30 FFEDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCC#Cc1cccc(Cl)c1 ZINC000823107997 607505203 /nfs/dbraw/zinc/50/52/03/607505203.db2.gz HVRLLVAOCAEEEP-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCC#Cc1cccc(Cl)c1 ZINC000823107997 607505205 /nfs/dbraw/zinc/50/52/05/607505205.db2.gz HVRLLVAOCAEEEP-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM CCOc1cccc(C=NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1O ZINC000825649449 607526881 /nfs/dbraw/zinc/52/68/81/607526881.db2.gz PYVNOWGXJZMGAK-YBFXNURJSA-N -1 3 353.382 2.599 20 30 FFEDHM CCOc1cccc(C=NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1O ZINC000825649449 607526882 /nfs/dbraw/zinc/52/68/82/607526882.db2.gz PYVNOWGXJZMGAK-YBFXNURJSA-N -1 3 353.382 2.599 20 30 FFEDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCC#Cc1ccccc1Cl ZINC000826423193 607612534 /nfs/dbraw/zinc/61/25/34/607612534.db2.gz CKXVYJVIGKVBRI-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCC#Cc1ccccc1Cl ZINC000826423193 607612535 /nfs/dbraw/zinc/61/25/35/607612535.db2.gz CKXVYJVIGKVBRI-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823367561 606107079 /nfs/dbraw/zinc/10/70/79/606107079.db2.gz KOQAOMHHVCDTMA-UHFFFAOYSA-N -1 3 366.384 2.914 20 30 FFEDHM O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823367561 606107080 /nfs/dbraw/zinc/10/70/80/606107080.db2.gz KOQAOMHHVCDTMA-UHFFFAOYSA-N -1 3 366.384 2.914 20 30 FFEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820017013 606205114 /nfs/dbraw/zinc/20/51/14/606205114.db2.gz SGFQKLBPWYQICP-INIZCTEOSA-N -1 3 367.365 2.744 20 30 FFEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820017013 606205116 /nfs/dbraw/zinc/20/51/16/606205116.db2.gz SGFQKLBPWYQICP-INIZCTEOSA-N -1 3 367.365 2.744 20 30 FFEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820017512 606205195 /nfs/dbraw/zinc/20/51/95/606205195.db2.gz YUOSHBAVKQGAAV-HNNXBMFYSA-N -1 3 364.365 2.759 20 30 FFEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820017512 606205198 /nfs/dbraw/zinc/20/51/98/606205198.db2.gz YUOSHBAVKQGAAV-HNNXBMFYSA-N -1 3 364.365 2.759 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCCC2=O)cc1 ZINC000822923398 606304787 /nfs/dbraw/zinc/30/47/87/606304787.db2.gz QZJGBUDKDIYTNO-BQYQJAHWSA-N -1 3 365.418 2.951 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCCC2=O)cc1 ZINC000822923398 606304789 /nfs/dbraw/zinc/30/47/89/606304789.db2.gz QZJGBUDKDIYTNO-BQYQJAHWSA-N -1 3 365.418 2.951 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](Sc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822842325 606311086 /nfs/dbraw/zinc/31/10/86/606311086.db2.gz BXWXVQUOFAACBZ-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccsc1N1CC[C@H](Sc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822842325 606311087 /nfs/dbraw/zinc/31/10/87/606311087.db2.gz BXWXVQUOFAACBZ-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM COc1cccc([C@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC000821860048 606361034 /nfs/dbraw/zinc/36/10/34/606361034.db2.gz WTVLPYUHRDZNMH-VIFPVBQESA-N -1 3 353.411 2.577 20 30 FFEDHM COc1cccc([C@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC000821860048 606361036 /nfs/dbraw/zinc/36/10/36/606361036.db2.gz WTVLPYUHRDZNMH-VIFPVBQESA-N -1 3 353.411 2.577 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821707686 606390343 /nfs/dbraw/zinc/39/03/43/606390343.db2.gz BYIXWDVUAIKKJV-YFHOEESVSA-N -1 3 354.391 2.904 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821703199 606493936 /nfs/dbraw/zinc/49/39/36/606493936.db2.gz UDOQPQSTWPKPQW-UHFFFAOYSA-N -1 3 369.768 2.548 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821703199 606493937 /nfs/dbraw/zinc/49/39/37/606493937.db2.gz UDOQPQSTWPKPQW-UHFFFAOYSA-N -1 3 369.768 2.548 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821109484 606505410 /nfs/dbraw/zinc/50/54/10/606505410.db2.gz KBIMZEVCVDJNBT-UHFFFAOYSA-N -1 3 360.421 2.720 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821109484 606505412 /nfs/dbraw/zinc/50/54/12/606505412.db2.gz KBIMZEVCVDJNBT-UHFFFAOYSA-N -1 3 360.421 2.720 20 30 FFEDHM Fc1ccccc1N=C1NN=C(c2ccc(-c3nnn[n-]3)cc2)CS1 ZINC000822795476 606632508 /nfs/dbraw/zinc/63/25/08/606632508.db2.gz BMBXZGXZZDWVNF-UHFFFAOYSA-N -1 3 353.386 2.734 20 30 FFEDHM Fc1ccccc1N=C1NN=C(c2ccc(-c3nn[n-]n3)cc2)CS1 ZINC000822795476 606632509 /nfs/dbraw/zinc/63/25/09/606632509.db2.gz BMBXZGXZZDWVNF-UHFFFAOYSA-N -1 3 353.386 2.734 20 30 FFEDHM COc1ccc(CN=Nc2nc(C(F)(F)F)cs2)cc1-c1nnn[n-]1 ZINC000821786685 606704770 /nfs/dbraw/zinc/70/47/70/606704770.db2.gz HOGJFQDEHWBROY-UHFFFAOYSA-N -1 3 369.332 2.797 20 30 FFEDHM COc1ccc(CN=Nc2nc(C(F)(F)F)cs2)cc1-c1nn[n-]n1 ZINC000821786685 606704772 /nfs/dbraw/zinc/70/47/72/606704772.db2.gz HOGJFQDEHWBROY-UHFFFAOYSA-N -1 3 369.332 2.797 20 30 FFEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819729708 606832153 /nfs/dbraw/zinc/83/21/53/606832153.db2.gz KZUMMBRUDLZIIN-LLVKDONJSA-N -1 3 351.370 2.750 20 30 FFEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819729708 606832155 /nfs/dbraw/zinc/83/21/55/606832155.db2.gz KZUMMBRUDLZIIN-LLVKDONJSA-N -1 3 351.370 2.750 20 30 FFEDHM C[C@H](C#N)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819844356 606834197 /nfs/dbraw/zinc/83/41/97/606834197.db2.gz DXTLALJOCMHVPR-GFCCVEGCSA-N -1 3 363.381 2.940 20 30 FFEDHM C[C@H](C#N)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819844356 606834199 /nfs/dbraw/zinc/83/41/99/606834199.db2.gz DXTLALJOCMHVPR-GFCCVEGCSA-N -1 3 363.381 2.940 20 30 FFEDHM N#Cc1cc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822819595 606998920 /nfs/dbraw/zinc/99/89/20/606998920.db2.gz XHKYYTHCVDMJGY-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1cc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822819595 606998930 /nfs/dbraw/zinc/99/89/30/606998930.db2.gz XHKYYTHCVDMJGY-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1cccc(-c2nnc(COc3ccc(-c4nnn[n-]4)cc3F)o2)c1 ZINC000822837681 607136952 /nfs/dbraw/zinc/13/69/52/607136952.db2.gz ROIIIEZLPMKYOJ-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1cccc(-c2nnc(COc3ccc(-c4nn[n-]n4)cc3F)o2)c1 ZINC000822837681 607136954 /nfs/dbraw/zinc/13/69/54/607136954.db2.gz ROIIIEZLPMKYOJ-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2c(c1)ncn2C ZINC000823914153 607794271 /nfs/dbraw/zinc/79/42/71/607794271.db2.gz BRFDYLRBTKXAMY-UHFFFAOYSA-N -1 3 373.420 2.582 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(c1)ncn2C ZINC000823914153 607794272 /nfs/dbraw/zinc/79/42/72/607794272.db2.gz BRFDYLRBTKXAMY-UHFFFAOYSA-N -1 3 373.420 2.582 20 30 FFEDHM CCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376625 607796571 /nfs/dbraw/zinc/79/65/71/607796571.db2.gz KCPDXBCPKLAWBF-UHFFFAOYSA-N -1 3 354.320 2.683 20 30 FFEDHM CCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376625 607796572 /nfs/dbraw/zinc/79/65/72/607796572.db2.gz KCPDXBCPKLAWBF-UHFFFAOYSA-N -1 3 354.320 2.683 20 30 FFEDHM C#CC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000823837940 607817548 /nfs/dbraw/zinc/81/75/48/607817548.db2.gz IZGZKVHYUADVNF-UHFFFAOYSA-N -1 3 353.769 2.671 20 30 FFEDHM C#CC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000823837940 607817549 /nfs/dbraw/zinc/81/75/49/607817549.db2.gz IZGZKVHYUADVNF-UHFFFAOYSA-N -1 3 353.769 2.671 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826011103 607843080 /nfs/dbraw/zinc/84/30/80/607843080.db2.gz XEWJYLJMJZVHGN-WEVVVXLNSA-N -1 3 359.389 2.672 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826011103 607843081 /nfs/dbraw/zinc/84/30/81/607843081.db2.gz XEWJYLJMJZVHGN-WEVVVXLNSA-N -1 3 359.389 2.672 20 30 FFEDHM C#CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823839105 607940403 /nfs/dbraw/zinc/94/04/03/607940403.db2.gz ZOARSBSMRJLTJV-KRWDZBQOSA-N -1 3 364.384 2.570 20 30 FFEDHM C#CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823839105 607940404 /nfs/dbraw/zinc/94/04/04/607940404.db2.gz ZOARSBSMRJLTJV-KRWDZBQOSA-N -1 3 364.384 2.570 20 30 FFEDHM C=C[C@@H](CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883731 607984764 /nfs/dbraw/zinc/98/47/64/607984764.db2.gz ZDGRSDKCMOMIDE-HNNXBMFYSA-N -1 3 363.421 2.722 20 30 FFEDHM COc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000826177265 608004728 /nfs/dbraw/zinc/00/47/28/608004728.db2.gz ANSRWMVYQJOVLN-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000826177265 608004729 /nfs/dbraw/zinc/00/47/29/608004729.db2.gz ANSRWMVYQJOVLN-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)ncn3C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234324 608048014 /nfs/dbraw/zinc/04/80/14/608048014.db2.gz QQXJXDXCCMQALB-VURMDHGXSA-N -1 3 373.420 2.706 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)ncn3C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234324 608048015 /nfs/dbraw/zinc/04/80/15/608048015.db2.gz QQXJXDXCCMQALB-VURMDHGXSA-N -1 3 373.420 2.706 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3ccc(Cl)cc3-c3nnn[n-]3)CCO2)c1 ZINC000826386645 608052512 /nfs/dbraw/zinc/05/25/12/608052512.db2.gz MZEVEBYDXTVQJL-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3ccc(Cl)cc3-c3nn[n-]n3)CCO2)c1 ZINC000826386645 608052513 /nfs/dbraw/zinc/05/25/13/608052513.db2.gz MZEVEBYDXTVQJL-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM O=C1c2cc(Cl)ccc2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826476468 608094968 /nfs/dbraw/zinc/09/49/68/608094968.db2.gz IJUIYKKCMVHLOI-WUXMJOGZSA-N -1 3 362.780 2.990 20 30 FFEDHM O=C1c2cc(Cl)ccc2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826476468 608094969 /nfs/dbraw/zinc/09/49/69/608094969.db2.gz IJUIYKKCMVHLOI-WUXMJOGZSA-N -1 3 362.780 2.990 20 30 FFEDHM C=CCn1c(SCc2ccc(-c3nnn[n-]3)cc2OC)nnc1C1CC1 ZINC000823937047 608259914 /nfs/dbraw/zinc/25/99/14/608259914.db2.gz GCZRFBHFVKYAAU-UHFFFAOYSA-N -1 3 369.454 2.823 20 30 FFEDHM C=CCn1c(SCc2ccc(-c3nn[n-]n3)cc2OC)nnc1C1CC1 ZINC000823937047 608259915 /nfs/dbraw/zinc/25/99/15/608259915.db2.gz GCZRFBHFVKYAAU-UHFFFAOYSA-N -1 3 369.454 2.823 20 30 FFEDHM C=CCNc1nnc(SCc2ccc(-c3nnn[n-]3)cc2OC)s1 ZINC000823924958 608260040 /nfs/dbraw/zinc/26/00/40/608260040.db2.gz BUUAYMNSUSQQKE-UHFFFAOYSA-N -1 3 361.456 2.617 20 30 FFEDHM C=CCNc1nnc(SCc2ccc(-c3nn[n-]n3)cc2OC)s1 ZINC000823924958 608260043 /nfs/dbraw/zinc/26/00/43/608260043.db2.gz BUUAYMNSUSQQKE-UHFFFAOYSA-N -1 3 361.456 2.617 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccccc1C#N ZINC000826171825 608347266 /nfs/dbraw/zinc/34/72/66/608347266.db2.gz ZXFJSOOZZAXAAD-CMDGGOBGSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccccc1C#N ZINC000826171825 608347268 /nfs/dbraw/zinc/34/72/68/608347268.db2.gz ZXFJSOOZZAXAAD-CMDGGOBGSA-N -1 3 361.361 2.504 20 30 FFEDHM N#Cc1ccsc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387841 608479143 /nfs/dbraw/zinc/47/91/43/608479143.db2.gz UNYGNODQRUTQDF-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM N#Cc1ccsc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387841 608479145 /nfs/dbraw/zinc/47/91/45/608479145.db2.gz UNYGNODQRUTQDF-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823845090 608574730 /nfs/dbraw/zinc/57/47/30/608574730.db2.gz NVORNYUANHPZID-UHFFFAOYSA-N -1 3 369.787 2.935 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823845090 608574732 /nfs/dbraw/zinc/57/47/32/608574732.db2.gz NVORNYUANHPZID-UHFFFAOYSA-N -1 3 369.787 2.935 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824514171 609161804 /nfs/dbraw/zinc/16/18/04/609161804.db2.gz MLFYVIVBYLCFHI-CYBMUJFWSA-N -1 3 358.405 2.913 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824514171 609161805 /nfs/dbraw/zinc/16/18/05/609161805.db2.gz MLFYVIVBYLCFHI-CYBMUJFWSA-N -1 3 358.405 2.913 20 30 FFEDHM C=CC[C@@H](C)[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823888724 609241624 /nfs/dbraw/zinc/24/16/24/609241624.db2.gz UXYOEFYEPYLSNV-KGLIPLIRSA-N -1 3 356.474 2.840 20 30 FFEDHM C=CC[C@@H](C)[C@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823888724 609241625 /nfs/dbraw/zinc/24/16/25/609241625.db2.gz UXYOEFYEPYLSNV-KGLIPLIRSA-N -1 3 356.474 2.840 20 30 FFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826211295 609269848 /nfs/dbraw/zinc/26/98/48/609269848.db2.gz WTXRKWPMIZDNIT-QPJJXVBHSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826211295 609269849 /nfs/dbraw/zinc/26/98/49/609269849.db2.gz WTXRKWPMIZDNIT-QPJJXVBHSA-N -1 3 354.341 2.919 20 30 FFEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958515 609277145 /nfs/dbraw/zinc/27/71/45/609277145.db2.gz PKYHQNJXUZEPES-UHFFFAOYSA-N -1 3 366.282 2.651 20 30 FFEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958515 609277147 /nfs/dbraw/zinc/27/71/47/609277147.db2.gz PKYHQNJXUZEPES-UHFFFAOYSA-N -1 3 366.282 2.651 20 30 FFEDHM CC(N=Nc1ncnc2ccsc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962304 609277855 /nfs/dbraw/zinc/27/78/55/609277855.db2.gz JCUNQUVDTJOBPF-UHFFFAOYSA-N -1 3 354.374 2.847 20 30 FFEDHM CC(N=Nc1ncnc2ccsc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962304 609277856 /nfs/dbraw/zinc/27/78/56/609277856.db2.gz JCUNQUVDTJOBPF-UHFFFAOYSA-N -1 3 354.374 2.847 20 30 FFEDHM N#CCCN(Cc1ccco1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826382013 609298885 /nfs/dbraw/zinc/29/88/85/609298885.db2.gz KVNXIXJYSLBFDH-UHFFFAOYSA-N -1 3 356.773 2.669 20 30 FFEDHM N#CCCN(Cc1ccco1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826382013 609298887 /nfs/dbraw/zinc/29/88/87/609298887.db2.gz KVNXIXJYSLBFDH-UHFFFAOYSA-N -1 3 356.773 2.669 20 30 FFEDHM CC(C)(C#N)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824059219 609429445 /nfs/dbraw/zinc/42/94/45/609429445.db2.gz PFFLTCVJDVVECL-UHFFFAOYSA-N -1 3 362.393 2.939 20 30 FFEDHM CC(C)(C#N)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824059219 609429449 /nfs/dbraw/zinc/42/94/49/609429449.db2.gz PFFLTCVJDVVECL-UHFFFAOYSA-N -1 3 362.393 2.939 20 30 FFEDHM COC(=O)[C@@H](C)n1cccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826104099 609470958 /nfs/dbraw/zinc/47/09/58/609470958.db2.gz PMVIOMUPGYCDRO-SNVBAGLBSA-N -1 3 373.804 2.502 20 30 FFEDHM COC(=O)[C@@H](C)n1cccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826104099 609470960 /nfs/dbraw/zinc/47/09/60/609470960.db2.gz PMVIOMUPGYCDRO-SNVBAGLBSA-N -1 3 373.804 2.502 20 30 FFEDHM N#CCOc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826382041 609474905 /nfs/dbraw/zinc/47/49/05/609474905.db2.gz MCYUAQFKARLCSO-UHFFFAOYSA-N -1 3 353.773 2.868 20 30 FFEDHM N#CCOc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826382041 609474907 /nfs/dbraw/zinc/47/49/07/609474907.db2.gz MCYUAQFKARLCSO-UHFFFAOYSA-N -1 3 353.773 2.868 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)[C@H](C)C(F)(F)F)C1=O ZINC000743288209 735287953 /nfs/dbraw/zinc/28/79/53/735287953.db2.gz MGCLYSMZILIUFA-HZMBPMFUSA-N -1 3 351.369 2.887 20 30 FFEDHM Cc1ccc2c(c1C)C(=N[N-]S(=O)(=O)CCc1ccccc1)CCO2 ZINC000743449453 735298646 /nfs/dbraw/zinc/29/86/46/735298646.db2.gz XMNJDRYLKDTWLS-UHFFFAOYSA-N -1 3 358.463 2.952 20 30 FFEDHM Cc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000113653393 728556350 /nfs/dbraw/zinc/55/63/50/728556350.db2.gz PGMWGNORMFDTMZ-GFCCVEGCSA-N -1 3 351.193 2.997 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(F)c1 ZINC000170940603 728992949 /nfs/dbraw/zinc/99/29/49/728992949.db2.gz MGEUZFBNOZUCBA-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cncc(Br)c2)c1 ZINC000193427710 729478580 /nfs/dbraw/zinc/47/85/80/729478580.db2.gz AUTARQHXDDKWSF-AWEZNQCLSA-N -1 3 374.194 2.814 20 30 FFEDHM N#CC(=C([O-])c1cncc(Br)c1)c1nnc2n1CCCCC2 ZINC000194927724 729525298 /nfs/dbraw/zinc/52/52/98/729525298.db2.gz GEKJJXAYHZKULS-LBPRGKRZSA-N -1 3 360.215 2.652 20 30 FFEDHM C=CCN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@H](C)COC ZINC000640302353 730141270 /nfs/dbraw/zinc/14/12/70/730141270.db2.gz LLDXMUWFEWDVQK-SECBINFHSA-N -1 3 354.760 2.576 20 30 FFEDHM C=CCCO[N-]C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000856035083 730300103 /nfs/dbraw/zinc/30/01/03/730300103.db2.gz SQLKYXKARMLVJN-UHFFFAOYSA-N -1 3 352.460 2.928 20 30 FFEDHM C=CCCO[N-]C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000856032426 730300135 /nfs/dbraw/zinc/30/01/35/730300135.db2.gz OCAFUOXXJVJSLP-OAHLLOKOSA-N -1 3 363.483 2.562 20 30 FFEDHM CCOCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000857010216 730372297 /nfs/dbraw/zinc/37/22/97/730372297.db2.gz HMNJIOIBPNTKAF-CYBMUJFWSA-N -1 3 360.801 2.534 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000647368303 730738906 /nfs/dbraw/zinc/73/89/06/730738906.db2.gz SXFQUKBAJUKCJI-OFQRWUPVSA-N -1 3 350.484 2.694 20 30 FFEDHM CC(C)n1cc2c(n1)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)CCC2 ZINC000780567936 738556731 /nfs/dbraw/zinc/55/67/31/738556731.db2.gz ZACMVKOETDHDBO-OAHLLOKOSA-N -1 3 362.430 2.831 20 30 FFEDHM CC(C)[C@H]([N-]C(=O)C(=O)Nc1cc(F)c(F)c(F)c1F)C(F)(F)F ZINC000873845738 731971795 /nfs/dbraw/zinc/97/17/95/731971795.db2.gz URAZYUUNGAXTJV-JTQLQIEISA-N -1 3 360.229 2.885 20 30 FFEDHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000879261747 732674709 /nfs/dbraw/zinc/67/47/09/732674709.db2.gz POFPAXWKOPAZHU-GHMZBOCLSA-N -1 3 365.739 2.623 20 30 FFEDHM O=C1[C@@H](NCc2cccc(Br)c2OC(F)F)CCCN1[O-] ZINC000895163023 734969855 /nfs/dbraw/zinc/96/98/55/734969855.db2.gz PMCNEMHRBAAQPK-JTQLQIEISA-N -1 3 365.174 2.520 20 30 FFEDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1C#N ZINC000736193844 734978262 /nfs/dbraw/zinc/97/82/62/734978262.db2.gz UILHVNVTGLARFM-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1C#N ZINC000736193844 734978265 /nfs/dbraw/zinc/97/82/65/734978265.db2.gz UILHVNVTGLARFM-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(Cl)nc2Cl)ccc1-c1nnn[n-]1 ZINC000737710039 735013514 /nfs/dbraw/zinc/01/35/14/735013514.db2.gz UOVCJUPABMJKHA-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(Cl)nc2Cl)ccc1-c1nn[n-]n1 ZINC000737710039 735013518 /nfs/dbraw/zinc/01/35/18/735013518.db2.gz UOVCJUPABMJKHA-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM Cc1cscc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000748089178 735616795 /nfs/dbraw/zinc/61/67/95/735616795.db2.gz RQWUZPHPRIAALX-NSHDSACASA-N -1 3 363.464 2.512 20 30 FFEDHM CCc1noc(COCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC000900677684 735678733 /nfs/dbraw/zinc/67/87/33/735678733.db2.gz BGTFFCVVSHUHKA-UHFFFAOYSA-N -1 3 360.197 2.873 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccncc1 ZINC000751107448 735846264 /nfs/dbraw/zinc/84/62/64/735846264.db2.gz GSNMQQUMVCIMSD-GFCCVEGCSA-N -1 3 352.437 2.525 20 30 FFEDHM C=C(Cl)C[C@@H](NCc1cc2c(cc1Br)OCO2)C(=O)[O-] ZINC000901936899 735873775 /nfs/dbraw/zinc/87/37/75/735873775.db2.gz FWENQCOXMMKWSS-SNVBAGLBSA-N -1 3 362.607 2.863 20 30 FFEDHM Cc1[nH]c2ccc(Cl)cc2c1CN=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000752733127 736007711 /nfs/dbraw/zinc/00/77/11/736007711.db2.gz GSHOPKUGSBOEFZ-UHFFFAOYSA-N -1 3 355.789 2.958 20 30 FFEDHM CCCCN([O-])C(=O)[C@H](CCSC)NC(=O)c1ccccc1OC ZINC000904207036 736233316 /nfs/dbraw/zinc/23/33/16/736233316.db2.gz OJWPAKNRSOOZGW-AWEZNQCLSA-N -1 3 354.472 2.565 20 30 FFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000759042623 736542879 /nfs/dbraw/zinc/54/28/79/736542879.db2.gz GJSWBDOLSNXYPH-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM CC(Cc1cccc(F)c1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000759197761 736554464 /nfs/dbraw/zinc/55/44/64/736554464.db2.gz UULGZVWIBSSCIB-UHFFFAOYSA-N -1 3 365.386 2.772 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CCC3(CC3)CC2)ccc1F ZINC000765001771 737071054 /nfs/dbraw/zinc/07/10/54/737071054.db2.gz KIOKZSHYAGBXAA-UHFFFAOYSA-N -1 3 366.458 2.743 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c(Cl)n2)cc1 ZINC000766841943 737268154 /nfs/dbraw/zinc/26/81/54/737268154.db2.gz PBXMMRWECBVXTM-GFCCVEGCSA-N -1 3 359.769 2.713 20 30 FFEDHM C#CCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000766881145 737271668 /nfs/dbraw/zinc/27/16/68/737271668.db2.gz VDBBCTPKIYTNDJ-UHFFFAOYSA-N -1 3 350.371 2.525 20 30 FFEDHM C=CCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000770081670 737594351 /nfs/dbraw/zinc/59/43/51/737594351.db2.gz ILOXXGQZYGPUCA-UHFFFAOYSA-N -1 3 356.463 2.989 20 30 FFEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn2cccnc12 ZINC000916944994 737733591 /nfs/dbraw/zinc/73/35/91/737733591.db2.gz PPPBRNUTJDHPFF-GFCCVEGCSA-N -1 3 374.187 2.997 20 30 FFEDHM CCC(CC)CCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772782665 737842761 /nfs/dbraw/zinc/84/27/61/737842761.db2.gz XEWJQMSEPPZZTP-ZDUSSCGKSA-N -1 3 366.483 2.873 20 30 FFEDHM COc1ccc(NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000776280197 738177617 /nfs/dbraw/zinc/17/76/17/738177617.db2.gz PFPMKMGXPBPPOU-UHFFFAOYSA-N -1 3 360.753 2.721 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)ccc1F ZINC000789689194 739380715 /nfs/dbraw/zinc/38/07/15/739380715.db2.gz SBTXEIANBURGQO-HZSPNIEDSA-N -1 3 368.474 2.797 20 30 FFEDHM N#CC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000932911412 739535907 /nfs/dbraw/zinc/53/59/07/739535907.db2.gz QJDAUVWURVEINB-JTQLQIEISA-N -1 3 366.137 2.798 20 30 FFEDHM CN(CC/N=C\c1cc(Cl)ccc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000797785036 740272890 /nfs/dbraw/zinc/27/28/90/740272890.db2.gz RNRLDSQJVWXEQT-ODLFYWEKSA-N -1 3 370.833 2.924 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2cc(Cl)ccc2[O-])C1 ZINC000798274775 740318694 /nfs/dbraw/zinc/31/86/94/740318694.db2.gz KJMBBALCXHAFTC-GXTWGEPZSA-N -1 3 351.834 2.894 20 30 FFEDHM COC(=O)[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187852 741492059 /nfs/dbraw/zinc/49/20/59/741492059.db2.gz NLTFMYVCZSCOOQ-MRXNPFEDSA-N -1 3 359.765 2.858 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000813682490 741748482 /nfs/dbraw/zinc/74/84/82/741748482.db2.gz CJKPPYHNPUXRFY-SFHVURJKSA-N -1 3 365.495 2.969 20 30 FFEDHM Cn1cc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)nc1Cl ZINC000814288091 741809773 /nfs/dbraw/zinc/80/97/73/741809773.db2.gz OXENBYHITMXMGN-ZDUSSCGKSA-N -1 3 352.847 2.787 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000814859002 741870444 /nfs/dbraw/zinc/87/04/44/741870444.db2.gz LHNMIEJRHNBDKA-IAGOWNOFSA-N -1 3 350.484 2.731 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)o1 ZINC000815441780 741935308 /nfs/dbraw/zinc/93/53/08/741935308.db2.gz JRLUKGSZQPOHAE-UHFFFAOYSA-N -1 3 373.312 2.794 20 30 FFEDHM CCCCOc1c(Cl)cc(C(=O)N[C@H]2CCN([O-])C2=O)cc1OCC ZINC000816694475 742053584 /nfs/dbraw/zinc/05/35/84/742053584.db2.gz GQMQWNSANGXIEB-ZDUSSCGKSA-N -1 3 370.833 2.638 20 30 FFEDHM O=C(CSc1cccc2cccc(Cl)c21)N[C@@H]1CCN([O-])C1=O ZINC000816697156 742053933 /nfs/dbraw/zinc/05/39/33/742053933.db2.gz SOVMMCCOQNOIEQ-GFCCVEGCSA-N -1 3 350.827 2.692 20 30 FFEDHM O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000816753629 742058867 /nfs/dbraw/zinc/05/88/67/742058867.db2.gz MJTKIODTMAVDJW-SNVBAGLBSA-N -1 3 367.616 2.522 20 30 FFEDHM O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000816753628 742059117 /nfs/dbraw/zinc/05/91/17/742059117.db2.gz MJTKIODTMAVDJW-JTQLQIEISA-N -1 3 367.616 2.522 20 30 FFEDHM Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820143162 742467589 /nfs/dbraw/zinc/46/75/89/742467589.db2.gz DQENRITYLVQOIA-NSHDSACASA-N -1 3 367.199 2.532 20 30 FFEDHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820143428 742467710 /nfs/dbraw/zinc/46/77/10/742467710.db2.gz IPKKYUASBAVCMK-LLVKDONJSA-N -1 3 370.192 2.677 20 30 FFEDHM O=C(COC(F)(F)F)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000822720458 742774517 /nfs/dbraw/zinc/77/45/17/742774517.db2.gz NHEISVPLJXCQKG-SECBINFHSA-N -1 3 364.173 2.990 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(N)cc1Cl ZINC000823958335 743004063 /nfs/dbraw/zinc/00/40/63/743004063.db2.gz JWFANJNNFYTABO-UHFFFAOYSA-N -1 3 363.212 2.987 20 30 FFEDHM CC(C)n1ccc(CC(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)n1 ZINC000824457291 743083133 /nfs/dbraw/zinc/08/31/33/743083133.db2.gz JDKVNZZCXFJNMI-UHFFFAOYSA-N -1 3 359.825 2.723 20 30 FFEDHM CC(C)n1ccc(CC(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)n1 ZINC000824457291 743083138 /nfs/dbraw/zinc/08/31/38/743083138.db2.gz JDKVNZZCXFJNMI-UHFFFAOYSA-N -1 3 359.825 2.723 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H](C)CCC2(C)C)ccc1F ZINC000839434285 746827633 /nfs/dbraw/zinc/82/76/33/746827633.db2.gz AWXUMGXNPGCXTK-LBPRGKRZSA-N -1 3 354.447 2.693 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CC(=O)OC)Cc1cc(F)c(F)cc1F ZINC000839915169 746960232 /nfs/dbraw/zinc/96/02/32/746960232.db2.gz YRFVGDXTLGWLSI-SNVBAGLBSA-N -1 3 365.298 2.906 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000840199090 747035878 /nfs/dbraw/zinc/03/58/78/747035878.db2.gz GJBVNLSHZATVMN-LBPRGKRZSA-N -1 3 354.476 2.909 20 30 FFEDHM Cc1nc(C/N=C\c2c([O-])c(C)ncc2CO)sc1Br ZINC000840705977 747163192 /nfs/dbraw/zinc/16/31/92/747163192.db2.gz GSFRSBZVTLKIBQ-TVPGTPATSA-N -1 3 356.245 2.734 20 30 FFEDHM C=C[C@@H](C)ONC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000845626963 748294824 /nfs/dbraw/zinc/29/48/24/748294824.db2.gz KSRUJJNASAAZNR-LLVKDONJSA-N -1 3 367.833 2.912 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc2scc(Br)c2c1 ZINC000848131358 748850401 /nfs/dbraw/zinc/85/04/01/748850401.db2.gz DAQOFWWXDINRQM-NSHDSACASA-N -1 3 369.240 2.774 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000848131010 748850481 /nfs/dbraw/zinc/85/04/81/748850481.db2.gz WVMJCEVKDQHTMM-NSHDSACASA-N -1 3 351.815 2.574 20 30 FFEDHM C#C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000848283849 748893909 /nfs/dbraw/zinc/89/39/09/748893909.db2.gz CZAVKRBLXFXKCR-LLVKDONJSA-N -1 3 359.223 2.776 20 30 FFEDHM C[C@@H](C#N)OCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000850003061 749281569 /nfs/dbraw/zinc/28/15/69/749281569.db2.gz PFLVXTLAWJRMKQ-LBPRGKRZSA-N -1 3 355.423 2.601 20 30 FFEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC001601058500 970924883 /nfs/dbraw/zinc/92/48/83/970924883.db2.gz MTYBVZGBKMYXHE-CABCVRRESA-N -1 3 364.405 2.553 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001573282242 946688171 /nfs/dbraw/zinc/68/81/71/946688171.db2.gz HEYFTFUAPLNRPS-UHFFFAOYSA-N -1 3 360.421 2.520 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573282242 946688176 /nfs/dbraw/zinc/68/81/76/946688176.db2.gz HEYFTFUAPLNRPS-UHFFFAOYSA-N -1 3 360.421 2.520 20 30 FFEDHM C#CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@H]1CC=CCC1 ZINC001573282546 946692455 /nfs/dbraw/zinc/69/24/55/946692455.db2.gz KFKZYHFVCYIWCD-HNNXBMFYSA-N -1 3 374.452 2.551 20 30 FFEDHM C#CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@H]1CC=CCC1 ZINC001573282546 946692464 /nfs/dbraw/zinc/69/24/64/946692464.db2.gz KFKZYHFVCYIWCD-HNNXBMFYSA-N -1 3 374.452 2.551 20 30 FFEDHM C#CCN(C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(C)(C)C ZINC001573283978 946733082 /nfs/dbraw/zinc/73/30/82/946733082.db2.gz YLGKWMLCAHXHOU-UHFFFAOYSA-N -1 3 372.498 2.539 20 30 FFEDHM C#CCN(C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(C)(C)C ZINC001573283978 946733088 /nfs/dbraw/zinc/73/30/88/946733088.db2.gz YLGKWMLCAHXHOU-UHFFFAOYSA-N -1 3 372.498 2.539 20 30 FFEDHM C#Cc1ccc(CNc2cc(-c3nnn[n-]3)c(Br)cn2)cc1 ZINC001573291012 946915814 /nfs/dbraw/zinc/91/58/14/946915814.db2.gz VMSQMPBKURNFIF-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C#Cc1ccc(CNc2cc(-c3nn[n-]n3)c(Br)cn2)cc1 ZINC001573291012 946915819 /nfs/dbraw/zinc/91/58/19/946915819.db2.gz VMSQMPBKURNFIF-UHFFFAOYSA-N -1 3 355.199 2.618 20 30 FFEDHM C=C1CCC(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)C)CC1 ZINC001573296647 947050816 /nfs/dbraw/zinc/05/08/16/947050816.db2.gz VIDFPHZSAMPTGY-INIZCTEOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CCC(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)C)CC1 ZINC001573296647 947050829 /nfs/dbraw/zinc/05/08/29/947050829.db2.gz VIDFPHZSAMPTGY-INIZCTEOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](CC)C1 ZINC001573300949 947127093 /nfs/dbraw/zinc/12/70/93/947127093.db2.gz WTFPAPXJNMWDMZ-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](CC)C1 ZINC001573300949 947127101 /nfs/dbraw/zinc/12/71/01/947127101.db2.gz WTFPAPXJNMWDMZ-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC1(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CCC1 ZINC001573326655 947377437 /nfs/dbraw/zinc/37/74/37/947377437.db2.gz SRUSGFQGXAXCSY-ZDUSSCGKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CCC1 ZINC001573326655 947377449 /nfs/dbraw/zinc/37/74/49/947377449.db2.gz SRUSGFQGXAXCSY-ZDUSSCGKSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N(CCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573328754 947413976 /nfs/dbraw/zinc/41/39/76/947413976.db2.gz BTLVQJIMDORXIO-UHFFFAOYSA-N -1 3 374.464 2.641 20 30 FFEDHM C=CCCC(=O)N(CCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573328754 947413983 /nfs/dbraw/zinc/41/39/83/947413983.db2.gz BTLVQJIMDORXIO-UHFFFAOYSA-N -1 3 374.464 2.641 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573334261 947452456 /nfs/dbraw/zinc/45/24/56/947452456.db2.gz LFTBJUPJKRXVAT-IUODEOHRSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573334261 947452462 /nfs/dbraw/zinc/45/24/62/947452462.db2.gz LFTBJUPJKRXVAT-IUODEOHRSA-N -1 3 358.421 2.621 20 30 FFEDHM COC[C@@H](C#N)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826148070 947474010 /nfs/dbraw/zinc/47/40/10/947474010.db2.gz XRNYPDQMXCIDNN-CQSZACIVSA-N -1 3 350.382 2.918 20 30 FFEDHM COC[C@@H](C#N)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826148070 947474016 /nfs/dbraw/zinc/47/40/16/947474016.db2.gz XRNYPDQMXCIDNN-CQSZACIVSA-N -1 3 350.382 2.918 20 30 FFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1ccc(C#N)cc1 ZINC000826162318 947512087 /nfs/dbraw/zinc/51/20/87/947512087.db2.gz WUOPLRFSQXQZBJ-CYBMUJFWSA-N -1 3 364.409 2.937 20 30 FFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1ccc(C#N)cc1 ZINC000826162318 947512089 /nfs/dbraw/zinc/51/20/89/947512089.db2.gz WUOPLRFSQXQZBJ-CYBMUJFWSA-N -1 3 364.409 2.937 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2ncn(C)c21 ZINC001573342124 947539558 /nfs/dbraw/zinc/53/95/58/947539558.db2.gz UHTIVGRWGDAIGG-UHFFFAOYSA-N -1 3 373.420 2.582 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2ncn(C)c21 ZINC001573342124 947539566 /nfs/dbraw/zinc/53/95/66/947539566.db2.gz UHTIVGRWGDAIGG-UHFFFAOYSA-N -1 3 373.420 2.582 20 30 FFEDHM COc1ccc(C=C2COc3c(F)ccc(F)c3C2=O)cc1-c1nnn[n-]1 ZINC000826190930 947585936 /nfs/dbraw/zinc/58/59/36/947585936.db2.gz RIEVXPREYCPCTP-POHAHGRESA-N -1 3 370.315 2.812 20 30 FFEDHM COc1ccc(C=C2COc3c(F)ccc(F)c3C2=O)cc1-c1nn[n-]n1 ZINC000826190930 947585945 /nfs/dbraw/zinc/58/59/45/947585945.db2.gz RIEVXPREYCPCTP-POHAHGRESA-N -1 3 370.315 2.812 20 30 FFEDHM CC#CCCCC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573358956 947674242 /nfs/dbraw/zinc/67/42/42/947674242.db2.gz SERAZRFSYDKHRU-HDJSIYSDSA-N -1 3 370.432 2.506 20 30 FFEDHM CC#CCCCC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573358956 947674248 /nfs/dbraw/zinc/67/42/48/947674248.db2.gz SERAZRFSYDKHRU-HDJSIYSDSA-N -1 3 370.432 2.506 20 30 FFEDHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccc(C#N)cc1 ZINC001573788748 949211379 /nfs/dbraw/zinc/21/13/79/949211379.db2.gz VSQZLMRANSTQSU-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccc(C#N)cc1 ZINC001573788748 949211403 /nfs/dbraw/zinc/21/14/03/949211403.db2.gz VSQZLMRANSTQSU-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001594298494 957887064 /nfs/dbraw/zinc/88/70/64/957887064.db2.gz QMOLMDZKUDOLRA-LNLFQRSKSA-N -1 3 371.481 2.981 20 30 FFEDHM COc1cccc([C@H](C#N)NC(=O)c2cc(=O)c3ccccc3[n-]2)c1OC ZINC000729429573 964954907 /nfs/dbraw/zinc/95/49/07/964954907.db2.gz NEEREHWPPLUNDL-INIZCTEOSA-N -1 3 363.373 2.540 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000121768492 966189215 /nfs/dbraw/zinc/18/92/15/966189215.db2.gz BGSVHRIFJZGUBE-INIZCTEOSA-N -1 3 353.334 2.873 20 30 FFEDHM CCCCCCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001167577058 966542257 /nfs/dbraw/zinc/54/22/57/966542257.db2.gz NHPFSLYKMBLOHH-UHFFFAOYSA-N -1 3 352.909 2.766 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898810552 976695269 /nfs/dbraw/zinc/69/52/69/976695269.db2.gz BMELREBXVZCFOL-KRWDZBQOSA-N -1 3 367.453 2.549 20 30 FFEDHM C=CCCC[C@H](NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908808840 981541759 /nfs/dbraw/zinc/54/17/59/981541759.db2.gz FFTIKSZWHSUJQS-MOPGFXCFSA-N -1 3 373.497 2.932 20 30 FFEDHM Cc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c([N+](=O)[O-])c1 ZINC000060951987 985090885 /nfs/dbraw/zinc/09/08/85/985090885.db2.gz PSWWWLXBMMSACZ-UHFFFAOYSA-N -1 3 355.350 2.618 20 30 FFEDHM COc1ccccc1-c1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000878693918 1015171334 /nfs/dbraw/zinc/17/13/34/1015171334.db2.gz JUCDPLRPDMQOKC-INIZCTEOSA-N -1 3 355.394 2.864 20 30 FFEDHM COc1ccc(C[C@H](C)C/N=C/c2c([O-])c(C)ncc2CO)cc1OC ZINC000762436682 988366759 /nfs/dbraw/zinc/36/67/59/988366759.db2.gz OZJBQMZWBBKUER-PUFAJPFRSA-N -1 3 358.438 2.903 20 30 FFEDHM Cc1ccc(-n2ncc(NC(=O)N[C@@H]3CCCN([O-])C3=O)c2C(C)C)cc1 ZINC000879357359 1015495120 /nfs/dbraw/zinc/49/51/20/1015495120.db2.gz IUYMNRVPZLIWDA-OAHLLOKOSA-N -1 3 371.441 2.806 20 30 FFEDHM Cc1cc2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c(C)n2n1 ZINC000916911311 990032251 /nfs/dbraw/zinc/03/22/51/990032251.db2.gz VJHBKUCGDVVWOB-LBPRGKRZSA-N -1 3 367.796 2.961 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000916933593 990035656 /nfs/dbraw/zinc/03/56/56/990035656.db2.gz GWCFBBXBNGPYSV-CQSZACIVSA-N -1 3 369.333 2.573 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc2ccccc2n1C ZINC000918521856 990413362 /nfs/dbraw/zinc/41/33/62/990413362.db2.gz CMPIDHNDNWLKNU-UHFFFAOYSA-N -1 3 364.405 2.838 20 30 FFEDHM C=C(Cl)CN[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1c1ccccc1 ZINC001081109822 993675743 /nfs/dbraw/zinc/67/57/43/993675743.db2.gz GPQWKSXMIPRTOQ-JKSUJKDBSA-N -1 3 357.841 2.738 20 30 FFEDHM COc1cccc([C@H](CNc2ccc(C(=O)[O-])nc2C#N)N2CCCC2)c1 ZINC001599656575 994590701 /nfs/dbraw/zinc/59/07/01/994590701.db2.gz ADVLHSONWMHQJV-IBGZPJMESA-N -1 3 366.421 2.909 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cccc(C#N)n1 ZINC000810529641 994811936 /nfs/dbraw/zinc/81/19/36/994811936.db2.gz LDAGITZWCJPYOJ-LBPRGKRZSA-N -1 3 368.780 2.885 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCN(c3c(F)cccc3F)C2=O)c1 ZINC000811186360 995051610 /nfs/dbraw/zinc/05/16/10/995051610.db2.gz LPOHKOSBZJRESU-HNNXBMFYSA-N -1 3 358.300 2.504 20 30 FFEDHM CC1(c2ccc(CN[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)OCCO1 ZINC001594071647 997911769 /nfs/dbraw/zinc/91/17/69/997911769.db2.gz LZXOBEJGTNZEPD-GOSISDBHSA-N -1 3 352.390 2.693 20 30 FFEDHM C[C@H](OC[C@H]1CCCCO1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845839834 998671605 /nfs/dbraw/zinc/67/16/05/998671605.db2.gz XJLRZWWOTCSEQV-CGTJXYLNSA-N -1 3 355.434 2.970 20 30 FFEDHM C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594291533 999123740 /nfs/dbraw/zinc/12/37/40/999123740.db2.gz JHKNYWFYHMNBML-RXCRORICSA-N -1 3 363.502 2.883 20 30 FFEDHM C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594291532 999123813 /nfs/dbraw/zinc/12/38/13/999123813.db2.gz JHKNYWFYHMNBML-MUZJZNNISA-N -1 3 363.502 2.883 20 30 FFEDHM Cc1cccc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000745494981 999916620 /nfs/dbraw/zinc/91/66/20/999916620.db2.gz DQZZQIHLXPNHQV-CQSZACIVSA-N -1 3 372.446 2.556 20 30 FFEDHM N#Cc1c(N)c(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])ccc1F ZINC001169330196 1000040560 /nfs/dbraw/zinc/04/05/60/1000040560.db2.gz UFGQYLCBIIDXKK-UHFFFAOYSA-N -1 3 358.279 2.652 20 30 FFEDHM C#CCN(CC#CC)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000767949630 1000164033 /nfs/dbraw/zinc/16/40/33/1000164033.db2.gz QVGBDTMFHCNFRI-UHFFFAOYSA-N -1 3 362.307 2.525 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1F ZINC000768766452 1000331866 /nfs/dbraw/zinc/33/18/66/1000331866.db2.gz RYZUBQDXXCDING-HNNXBMFYSA-N -1 3 370.336 2.582 20 30 FFEDHM CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccc([O-])c(F)c1 ZINC000769807575 1000607493 /nfs/dbraw/zinc/60/74/93/1000607493.db2.gz OTECOGYJGULKNE-UHFFFAOYSA-N -1 3 358.377 2.968 20 30 FFEDHM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(Cl)cc([O-])cc1Cl ZINC001276164710 1016436124 /nfs/dbraw/zinc/43/61/24/1016436124.db2.gz HCHRCBNTTQVOKF-HZPDHXFCSA-N -1 3 353.249 2.898 20 30 FFEDHM N#C[C@@H](CC(=O)NCCCc1c[n-][nH]c1=O)c1c(Cl)cccc1Cl ZINC001183120405 1002155432 /nfs/dbraw/zinc/15/54/32/1002155432.db2.gz IAXOYDWIXLRXEM-GHMZBOCLSA-N -1 3 367.236 2.619 20 30 FFEDHM O=C([N-][C@@H](CO)C(F)(F)F)[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001184540340 1002640005 /nfs/dbraw/zinc/64/00/05/1002640005.db2.gz DTYONDDZTBFKEY-GXSJLCMTSA-N -1 3 372.240 2.992 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c(F)ccnc2OC)c(C)c1[O-] ZINC001185561255 1002985799 /nfs/dbraw/zinc/98/57/99/1002985799.db2.gz GIYACMKGZDJQDP-UHFFFAOYSA-N -1 3 373.340 2.544 20 30 FFEDHM CC1(C#N)CN(C(=O)CCCCCCCNC(=O)c2ccccc2[O-])C1 ZINC001185929253 1003135018 /nfs/dbraw/zinc/13/50/18/1003135018.db2.gz AYRVQZZIEQTEJH-UHFFFAOYSA-N -1 3 357.454 2.835 20 30 FFEDHM CCc1nc(-c2cccc(C(=O)N([O-])C(=N)c3ccccc3N)c2)no1 ZINC001191573994 1003890163 /nfs/dbraw/zinc/89/01/63/1003890163.db2.gz QQNSVYAZGKBOCO-UHFFFAOYSA-N -1 3 351.366 2.738 20 30 FFEDHM N#CC1(NC(=O)c2c([O-])ccc(F)c2F)CCN(Cc2ccccc2)CC1 ZINC001192787940 1004274242 /nfs/dbraw/zinc/27/42/42/1004274242.db2.gz WJBLXMYHGKLLAK-UHFFFAOYSA-N -1 3 371.387 2.959 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ncc(OC)cc2F)c(C)c1[O-] ZINC001197811221 1004373906 /nfs/dbraw/zinc/37/39/06/1004373906.db2.gz SWRLOPCOZZGBMI-UHFFFAOYSA-N -1 3 373.340 2.544 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(Cc2ccccc2C(F)(F)F)n1 ZINC001193113080 1004377988 /nfs/dbraw/zinc/37/79/88/1004377988.db2.gz YXGMEIWAIRROHM-NSHDSACASA-N -1 3 372.372 2.912 20 30 FFEDHM C=C1CC(C(=O)N2CC[C@@H]3C[C@@]32C(=O)Nc2nc3c(cccc3[O-])s2)C1 ZINC001273767613 1004641219 /nfs/dbraw/zinc/64/12/19/1004641219.db2.gz AVBWELULESNFJU-BLVKFPJESA-N -1 3 369.446 2.898 20 30 FFEDHM C=CCCOc1ccc(C(=O)Nc2ncc(Br)[n-]c2=O)cc1 ZINC001195140953 1004900745 /nfs/dbraw/zinc/90/07/45/1004900745.db2.gz GGAKRORIRVQKGD-UHFFFAOYSA-N -1 3 364.199 2.740 20 30 FFEDHM O=C1C=C([N-]S(=O)(=O)c2ncccc2OCc2ccccc2)CCC1 ZINC001201898507 1005281159 /nfs/dbraw/zinc/28/11/59/1005281159.db2.gz VWCMSZHPNURIHR-UHFFFAOYSA-N -1 3 358.419 2.576 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cnn(CC2CCC2)c1 ZINC001134472304 1006349007 /nfs/dbraw/zinc/34/90/07/1006349007.db2.gz SXNFKWMREKMIDC-UHFFFAOYSA-N -1 3 367.453 2.521 20 30 FFEDHM CCOC(=O)n1nc2c(c1[N-]c1nc(C#N)ccc1Cl)CNC2(C)C ZINC001170763895 1006425300 /nfs/dbraw/zinc/42/53/00/1006425300.db2.gz NVUBNYOYDPPQFG-UHFFFAOYSA-N -1 3 360.805 2.890 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)nc(N2CCCC2)c1 ZINC000112759092 1007013654 /nfs/dbraw/zinc/01/36/54/1007013654.db2.gz MEUAOXCSBXQMRW-CYBMUJFWSA-N -1 3 369.812 2.691 20 30 FFEDHM COc1cc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc(OC)c1[O-] ZINC000855305761 1007263639 /nfs/dbraw/zinc/26/36/39/1007263639.db2.gz OOZWWJOIJLSWCO-HXUWFJFHSA-N -1 3 367.405 2.502 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@H](C(=O)OC)c1ccccc1Br ZINC000855698139 1007506214 /nfs/dbraw/zinc/50/62/14/1007506214.db2.gz LLKQRMNTPBYKFJ-NSHDSACASA-N -1 3 362.170 2.991 20 30 FFEDHM N#Cc1ccc(C2([N-]S(=O)(=O)c3cc(F)cc(F)c3F)CC2)cc1 ZINC001190410602 1007625392 /nfs/dbraw/zinc/62/53/92/1007625392.db2.gz DPIYLVDEOCOMBX-UHFFFAOYSA-N -1 3 352.337 2.943 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CCO)c2cccc(Cl)c2)c1 ZINC001190669692 1007725417 /nfs/dbraw/zinc/72/54/17/1007725417.db2.gz XFZPWJYMWVCAQS-HNNXBMFYSA-N -1 3 368.817 2.753 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)c1 ZINC001190671770 1007733239 /nfs/dbraw/zinc/73/32/39/1007733239.db2.gz VUHZEPOCJHKGFC-UHFFFAOYSA-N -1 3 355.394 2.767 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cncnc2Br)c1 ZINC001190937744 1007840181 /nfs/dbraw/zinc/84/01/81/1007840181.db2.gz SVSCUXJOWKEFJI-UHFFFAOYSA-N -1 3 373.619 2.565 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCc2ccc(C#N)cc2C)c([O-])c1 ZINC000777051748 1008413716 /nfs/dbraw/zinc/41/37/16/1008413716.db2.gz AXXHVOKNJPPKNL-UHFFFAOYSA-N -1 3 352.390 2.744 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1cn2ccccc2n1 ZINC000821595911 1008478915 /nfs/dbraw/zinc/47/89/15/1008478915.db2.gz QBESWAZPLRVZNT-UHFFFAOYSA-N -1 3 364.405 2.642 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2cc(Cl)ccn2)c(C)c1[O-] ZINC001177658539 1008712553 /nfs/dbraw/zinc/71/25/53/1008712553.db2.gz SMWKBLPSDLXAKZ-UHFFFAOYSA-N -1 3 373.796 2.979 20 30 FFEDHM COc1cc(Br)c(C(=O)Nc2cc(C#N)cnc2C)cc1[O-] ZINC001149054977 1009257968 /nfs/dbraw/zinc/25/79/68/1009257968.db2.gz BMVNOTYDBHZZAY-UHFFFAOYSA-N -1 3 362.183 2.991 20 30 FFEDHM C=CCN1CC[C@]2(CCN(C(=O)c3cc([O-])cc(C(F)(F)F)c3)C2)C1=O ZINC001274110282 1009401942 /nfs/dbraw/zinc/40/19/42/1009401942.db2.gz YBLZENOPUQKQRU-QGZVFWFLSA-N -1 3 368.355 2.662 20 30 FFEDHM N#Cc1cc(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC001180799749 1009837921 /nfs/dbraw/zinc/83/79/21/1009837921.db2.gz OXPZGPJCBFOKLY-UHFFFAOYSA-N -1 3 363.295 2.651 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCCOC)c2)cc1 ZINC000777302298 1010476690 /nfs/dbraw/zinc/47/66/90/1010476690.db2.gz KJWYJPQYIYKQGD-QGZVFWFLSA-N -1 3 367.405 2.630 20 30 FFEDHM COc1cc(C(=O)/C=C/c2cnc3c(c2)c(C)nn3C)c(OC)cc1[O-] ZINC000122517406 1011709256 /nfs/dbraw/zinc/70/92/56/1011709256.db2.gz SAUZESOFHQNSHZ-AATRIKPKSA-N -1 3 353.378 2.896 20 30 FFEDHM N#CCCCN1CC[C@@]2(CCCN2C(=O)c2cc([O-])cc(Cl)c2)C1=O ZINC001275687133 1012862111 /nfs/dbraw/zinc/86/21/11/1012862111.db2.gz ZNFSXYGKYHBFOY-SFHVURJKSA-N -1 3 361.829 2.556 20 30 FFEDHM C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C2 ZINC001097625718 1017722008 /nfs/dbraw/zinc/72/20/08/1017722008.db2.gz LFXUOPLRUZYEMF-MCIONIFRSA-N -1 3 364.877 2.702 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1[O-] ZINC000827411745 1017944928 /nfs/dbraw/zinc/94/49/28/1017944928.db2.gz HGAWZTNFXGNXNZ-UHFFFAOYSA-N -1 3 367.380 2.568 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110932920 1018705892 /nfs/dbraw/zinc/70/58/92/1018705892.db2.gz CWORKQDHAHUGER-PILAGYSTSA-N -1 3 370.497 2.883 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110967191 1019386598 /nfs/dbraw/zinc/38/65/98/1019386598.db2.gz XCTYZCPNIZZOSW-ZACQAIPSSA-N -1 3 356.470 2.637 20 30 FFEDHM C=CCOC[C@H](NCc1c(C)nn(Cc2ccc(C)cc2)c1C)C(=O)[O-] ZINC000901808491 1019490249 /nfs/dbraw/zinc/49/02/49/1019490249.db2.gz FXYQFVLYHCNLKR-IBGZPJMESA-N -1 3 357.454 2.602 20 30 FFEDHM N#Cc1ccc(CN[C@@H](CCC(=O)OCc2ccccc2)C(=O)[O-])c(F)c1 ZINC000900058363 1020158506 /nfs/dbraw/zinc/15/85/06/1020158506.db2.gz ZXZKJDOYAPDLRV-SFHVURJKSA-N -1 3 370.380 2.764 20 30 FFEDHM COc1ccc(CN2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c(C#N)c1 ZINC001137705870 1032892655 /nfs/dbraw/zinc/89/26/55/1032892655.db2.gz FBYKMQRYGCOMCO-INIZCTEOSA-N -1 3 359.426 2.583 20 30 FFEDHM C=CCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1cnn(CC)c1 ZINC000726104073 1020417652 /nfs/dbraw/zinc/41/76/52/1020417652.db2.gz UOCBEDFEOSZTDN-UHFFFAOYSA-N -1 3 369.450 2.656 20 30 FFEDHM CN(C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1)C1(C#N)CCCCC1 ZINC000115646614 1022341875 /nfs/dbraw/zinc/34/18/75/1022341875.db2.gz RKRWIMZTWKQNSF-UHFFFAOYSA-N -1 3 356.382 2.511 20 30 FFEDHM CN(C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1)C1(C#N)CCCCC1 ZINC000115646614 1022341889 /nfs/dbraw/zinc/34/18/89/1022341889.db2.gz RKRWIMZTWKQNSF-UHFFFAOYSA-N -1 3 356.382 2.511 20 30 FFEDHM CCn1c2ccc(C#N)cc2[nH]c1=NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000160123584 1022909455 /nfs/dbraw/zinc/90/94/55/1022909455.db2.gz ZBGVMXLUAHCGHW-RVDMUPIBSA-N -1 3 357.373 2.651 20 30 FFEDHM N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1nc(N)c2ccccc2n1 ZINC001122415659 1023254913 /nfs/dbraw/zinc/25/49/13/1023254913.db2.gz LVUCLUXAWKDOKM-OAHLLOKOSA-N -1 3 358.405 2.697 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1ccccc1OC ZINC001122566086 1023342601 /nfs/dbraw/zinc/34/26/01/1023342601.db2.gz BGJBGKXMLAMTEO-UHFFFAOYSA-N -1 3 366.425 2.662 20 30 FFEDHM COc1ccc(C2N=NC(=S)N2N=Cc2cc(F)ccc2[O-])c(OC)c1 ZINC000755598210 1023613630 /nfs/dbraw/zinc/61/36/30/1023613630.db2.gz GDLWQCOFXGZTLP-UHFFFAOYSA-N -1 3 374.397 2.978 20 30 FFEDHM COCCCn1c(=O)c2ccccc2nc1NN=Cc1cc(F)ccc1[O-] ZINC000755607003 1023614686 /nfs/dbraw/zinc/61/46/86/1023614686.db2.gz YAXZOJGTRVOFNK-UHFFFAOYSA-N -1 3 370.384 2.724 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001121607283 1023878432 /nfs/dbraw/zinc/87/84/32/1023878432.db2.gz LFJJMBOYMZWARA-NOLJZWGESA-N -1 3 354.458 2.950 20 30 FFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759329617 1024564144 /nfs/dbraw/zinc/56/41/44/1024564144.db2.gz JPWXSZMVSLFDEQ-CQSZACIVSA-N -1 3 373.430 2.988 20 30 FFEDHM C=CCO[N-]C(=O)CC12CC3CC(C1)CC(CC(=O)NOCC=C)(C3)C2 ZINC000837044262 1025531375 /nfs/dbraw/zinc/53/13/75/1025531375.db2.gz KQGYIAJKVOBLKI-UHFFFAOYSA-N -1 3 362.470 2.821 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cnc(Cl)nc1Oc1ccccc1F ZINC001160178949 1027626588 /nfs/dbraw/zinc/62/65/88/1027626588.db2.gz QLJWWPYZUYQHBG-UFBFGSQYSA-N -1 3 352.753 2.709 20 30 FFEDHM CC(=N[S@](=O)C(C)(C)C)c1ccc(NCCCc2c[n-][nH]c2=O)cc1 ZINC001164406141 1029276936 /nfs/dbraw/zinc/27/69/36/1029276936.db2.gz CDXUHHHJZUDVPF-OZTZVGMVSA-N -1 3 362.499 2.882 20 30 FFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ccnc(C#N)c2)s1 ZINC001156661956 1029296074 /nfs/dbraw/zinc/29/60/74/1029296074.db2.gz QIEAYCRNCBQBQQ-UHFFFAOYSA-N -1 3 359.411 2.687 20 30 FFEDHM CCOC(=O)c1[n-]c2ccccc2c1C(=O)Nc1cc(C#N)c(C#N)cc1N ZINC001151372029 1031936257 /nfs/dbraw/zinc/93/62/57/1031936257.db2.gz CSLMOOOGTXWIJI-UHFFFAOYSA-N -1 3 373.372 2.922 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(Br)cn2ccnc12 ZINC001151653254 1032002908 /nfs/dbraw/zinc/00/29/08/1032002908.db2.gz AVERUVDKHSFZAX-UHFFFAOYSA-N -1 3 374.198 2.536 20 30 FFEDHM C=CCOCc1nn(CC2CC2)c2c1CN(Cc1ncccc1[O-])CC2 ZINC001138391341 1034228329 /nfs/dbraw/zinc/22/83/29/1034228329.db2.gz UIOTZOIGTXPAGE-UHFFFAOYSA-N -1 3 354.454 2.655 20 30 FFEDHM CC[C@H](C#CC(=O)OC)Oc1cc(C)cc([O-])c1I ZINC001225511513 1034284627 /nfs/dbraw/zinc/28/46/27/1034284627.db2.gz TUVKCEZGWZPNCL-SNVBAGLBSA-N -1 3 374.174 2.639 20 30 FFEDHM N#CCCCN1CC[C@@]2(CCN(Cc3cc(Cl)c([O-])cc3F)C2)C1=O ZINC001277057457 1034327912 /nfs/dbraw/zinc/32/79/12/1034327912.db2.gz QVSXGFAUNIWJBT-GOSISDBHSA-N -1 3 365.836 2.913 20 30 FFEDHM CC1=C(Oc2[n-]c(=O)nc3ccc(Br)cc32)C(=O)[C@@H](C)O1 ZINC001226296840 1034618281 /nfs/dbraw/zinc/61/82/81/1034618281.db2.gz YTOSURQAIRJQQM-ZCFIWIBFSA-N -1 3 351.156 2.696 20 30 FFEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1sc(=O)[n-]c1Cl ZINC001277139703 1034746218 /nfs/dbraw/zinc/74/62/18/1034746218.db2.gz HAHUTCPQTPVGEY-INIZCTEOSA-N -1 3 368.890 2.763 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCCC3)cc1Cl ZINC000835065671 1035502531 /nfs/dbraw/zinc/50/25/31/1035502531.db2.gz PSKBKVZFFQBIIT-CYBMUJFWSA-N -1 3 372.812 2.843 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)nc2)cc1Cl ZINC000835066389 1035503717 /nfs/dbraw/zinc/50/37/17/1035503717.db2.gz ZWFSBMNAJROBKH-ZDUSSCGKSA-N -1 3 370.796 2.977 20 30 FFEDHM CCOC(=O)c1ccc(N2CCN(Cc3cc(C#N)ccc3[O-])CC2)cc1 ZINC001232677728 1035937709 /nfs/dbraw/zinc/93/77/09/1035937709.db2.gz IJTOTYLMHLKRRY-UHFFFAOYSA-N -1 3 365.433 2.763 20 30 FFEDHM N#Cc1ccc(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c([O-])c1 ZINC001233385134 1036585716 /nfs/dbraw/zinc/58/57/16/1036585716.db2.gz VUDUIXCQVGWDCW-XKGZKEIXSA-N -1 3 365.433 2.717 20 30 FFEDHM COC(=O)[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1cccc(F)c1 ZINC001234514352 1037068422 /nfs/dbraw/zinc/06/84/22/1037068422.db2.gz UXRFUKVPEBEQMS-OAHLLOKOSA-N -1 3 353.309 2.639 20 30 FFEDHM C#C[C@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)c1ccncc1 ZINC001230186114 1037135243 /nfs/dbraw/zinc/13/52/43/1037135243.db2.gz LFKVIKZHQCVZHX-FQEVSTJZSA-N -1 3 372.428 2.889 20 30 FFEDHM C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3cc([O-])c(F)c(F)c3)C2)C1=O ZINC001278009323 1038264070 /nfs/dbraw/zinc/26/40/70/1038264070.db2.gz NZDFCJQORBXKQQ-LJQANCHMSA-N -1 3 364.392 2.588 20 30 FFEDHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258039613 1039138431 /nfs/dbraw/zinc/13/84/31/1039138431.db2.gz WFIANXXEHQNGER-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C#N)nc1Br ZINC001258921153 1039585856 /nfs/dbraw/zinc/58/58/56/1039585856.db2.gz GTYCOAYUYPDPAZ-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(Cl)s1 ZINC001259412297 1039983302 /nfs/dbraw/zinc/98/33/02/1039983302.db2.gz AGWAJHPKYHHRAQ-UHFFFAOYSA-N -1 3 374.802 3.000 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(Br)ncc2F)ccc1F ZINC001259412899 1039984137 /nfs/dbraw/zinc/98/41/37/1039984137.db2.gz LHVSYTOHLOXAAT-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2Br)ccc1F ZINC001259417647 1039987965 /nfs/dbraw/zinc/98/79/65/1039987965.db2.gz WJTAQOPSYZQQLJ-UHFFFAOYSA-N -1 3 371.187 2.966 20 30 FFEDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(F)c1F ZINC001259419423 1039989168 /nfs/dbraw/zinc/98/91/68/1039989168.db2.gz YEVXQUMDAWWHOA-UHFFFAOYSA-N -1 3 370.308 2.563 20 30 FFEDHM N#Cc1ccc(F)c(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248001021 1040095365 /nfs/dbraw/zinc/09/53/65/1040095365.db2.gz XBGBDGJFBCXCKE-UHFFFAOYSA-N -1 3 353.269 2.908 20 30 FFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1F ZINC001259851384 1040243373 /nfs/dbraw/zinc/24/33/73/1040243373.db2.gz NZHZWGINTRZKRG-UHFFFAOYSA-N -1 3 356.281 2.505 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)Nc2cccc([O-])c2Br)cc1 ZINC001260045269 1040375824 /nfs/dbraw/zinc/37/58/24/1040375824.db2.gz KCBSOCCMCNMVKY-UHFFFAOYSA-N -1 3 367.224 2.968 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001262987701 1042011810 /nfs/dbraw/zinc/01/18/10/1042011810.db2.gz DUZJGEOMFYQLPK-HRAATJIYSA-N -1 3 374.448 2.713 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H](CCF)C1 ZINC001263288368 1042222627 /nfs/dbraw/zinc/22/26/27/1042222627.db2.gz PZMPROXCFQOEIG-NSHDSACASA-N -1 3 353.833 2.869 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H](CCF)C1 ZINC001263288368 1042222629 /nfs/dbraw/zinc/22/26/29/1042222629.db2.gz PZMPROXCFQOEIG-NSHDSACASA-N -1 3 353.833 2.869 20 30 FFEDHM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2CCCOCC)C1 ZINC001263357609 1042260079 /nfs/dbraw/zinc/26/00/79/1042260079.db2.gz KVFXLNOWPAPETH-CQSZACIVSA-N -1 3 361.446 2.858 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001264716837 1042799329 /nfs/dbraw/zinc/79/93/29/1042799329.db2.gz ZPDQYXFQWLNLBH-KEYYUXOJSA-N -1 3 358.486 2.741 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cc2)CCO1 ZINC001319044567 1045001667 /nfs/dbraw/zinc/00/16/67/1045001667.db2.gz GLOGJBMXFJUCAZ-OAHLLOKOSA-N -1 3 371.462 2.779 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC001319338869 1045115327 /nfs/dbraw/zinc/11/53/27/1045115327.db2.gz OSVNUGVTLAVCOW-QGZVFWFLSA-N -1 3 358.419 2.721 20 30 FFEDHM CCOc1cc(C=NNC(=S)NC(C)C)cc(Br)c1[O-] ZINC001317703373 1045122891 /nfs/dbraw/zinc/12/28/91/1045122891.db2.gz HCUGGFKQTCRXPC-UHFFFAOYSA-N -1 3 360.277 2.760 20 30 FFEDHM CN1CCN(c2ccc(/C=C3/Oc4cc([O-])ccc4C3=O)cc2F)CC1 ZINC001317910101 1045168549 /nfs/dbraw/zinc/16/85/49/1045168549.db2.gz JHEMXPQRFOIHBO-YBFXNURJSA-N -1 3 354.381 2.899 20 30 FFEDHM CN1CCN(c2ccc(/C=C3\Oc4cc([O-])ccc4C3=O)cc2F)CC1 ZINC001317910099 1045168908 /nfs/dbraw/zinc/16/89/08/1045168908.db2.gz JHEMXPQRFOIHBO-ODLFYWEKSA-N -1 3 354.381 2.899 20 30 FFEDHM C#Cc1cccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001319557677 1045194969 /nfs/dbraw/zinc/19/49/69/1045194969.db2.gz JDISIADDZAIJSE-UHFFFAOYSA-N -1 3 361.398 2.500 20 30 FFEDHM N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3[O-])CC2=O)cc1 ZINC001319574033 1045200386 /nfs/dbraw/zinc/20/03/86/1045200386.db2.gz XYSVSMJOJOWJAV-LBPRGKRZSA-N -1 3 355.781 2.909 20 30 FFEDHM COc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1Br ZINC001320334387 1045392124 /nfs/dbraw/zinc/39/21/24/1045392124.db2.gz GDSHXGDMJDQLGH-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001321905782 1045866512 /nfs/dbraw/zinc/86/65/12/1045866512.db2.gz KYFOTFJWPMCGNY-QMMMGPOBSA-N -1 3 354.653 2.582 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2occc(=O)c2c1 ZINC001540273615 1070813579 /nfs/dbraw/zinc/81/35/79/1070813579.db2.gz OKHBWVHEHSSKJT-UHFFFAOYSA-N -1 3 363.373 2.953 20 30 FFEDHM C=CC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC001334182533 1049296632 /nfs/dbraw/zinc/29/66/32/1049296632.db2.gz NGUCGRVOLKSPKE-GJZGRUSLSA-N -1 3 365.499 2.850 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)c1cc(OC)cc(OC)c1 ZINC001342086881 1050682817 /nfs/dbraw/zinc/68/28/17/1050682817.db2.gz MGRCHIXWXBNKTR-UHFFFAOYSA-N -1 3 371.397 3.000 20 30 FFEDHM N#CCOc1cccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001342366017 1050959466 /nfs/dbraw/zinc/95/94/66/1050959466.db2.gz ZMAIDYXHXZVCFI-UHFFFAOYSA-N -1 3 369.327 2.639 20 30 FFEDHM Cc1nc(C)c(CC(=O)Nc2ccc(Br)c(C#N)c2)c(=O)[n-]1 ZINC001304094809 1051531157 /nfs/dbraw/zinc/53/11/57/1051531157.db2.gz JXKSRSFYYTZUDV-UHFFFAOYSA-N -1 3 361.199 2.614 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3cn(C)nn3)n2CC)c1[O-] ZINC001341194923 1051553878 /nfs/dbraw/zinc/55/38/78/1051553878.db2.gz BRMDPDHLJARRMG-UHFFFAOYSA-N -1 3 367.457 2.554 20 30 FFEDHM C=CCCCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001304647321 1051658932 /nfs/dbraw/zinc/65/89/32/1051658932.db2.gz WVUGMEVKKCTOBE-UHFFFAOYSA-N -1 3 354.447 2.695 20 30 FFEDHM N#CC(=C([O-])c1ccc(Cn2cccn2)cc1)c1nc(N)c2ccccc2n1 ZINC001343271169 1052123533 /nfs/dbraw/zinc/12/35/33/1052123533.db2.gz BKSCQHUYZVLRRF-QGZVFWFLSA-N -1 3 368.400 2.947 20 30 FFEDHM CCCCCCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC001309317842 1052598008 /nfs/dbraw/zinc/59/80/08/1052598008.db2.gz CIMOSZSWPRVZHB-UHFFFAOYSA-N -1 3 352.298 2.821 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC(F)F)C1CCC1 ZINC001345974523 1052691785 /nfs/dbraw/zinc/69/17/85/1052691785.db2.gz RTXODGQYYCYTGQ-UHFFFAOYSA-N -1 3 364.400 2.949 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001356463677 1055517191 /nfs/dbraw/zinc/51/71/91/1055517191.db2.gz UBHDUUKHQXMWPF-HNNXBMFYSA-N -1 3 359.430 2.610 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@@H]3CCOC[C@@H]3OC)n2C)c1[O-] ZINC001338678187 1055724614 /nfs/dbraw/zinc/72/46/14/1055724614.db2.gz YVFFBROKRLAXLI-SJORKVTESA-N -1 3 372.469 2.546 20 30 FFEDHM C#CCC1(C(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CCCCC1 ZINC001352805688 1055807861 /nfs/dbraw/zinc/80/78/61/1055807861.db2.gz FUXFBWKPWRYLAQ-MRXNPFEDSA-N -1 3 356.470 2.549 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001339214297 1056211982 /nfs/dbraw/zinc/21/19/82/1056211982.db2.gz IGDOBMDJNZGAMV-MSOLQXFVSA-N -1 3 357.454 2.768 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCOCC4(CC4)C3)n2C)c1[O-] ZINC001339316360 1056323492 /nfs/dbraw/zinc/32/34/92/1056323492.db2.gz JFGKMPFIGNVHIJ-UHFFFAOYSA-N -1 3 354.454 2.923 20 30 FFEDHM CCO[C@H](C)c1ncc(C(=O)[N-]c2ncc3c(c2C#N)COCC3)s1 ZINC001353478882 1056439715 /nfs/dbraw/zinc/43/97/15/1056439715.db2.gz YIRUTGGTQZISPK-SNVBAGLBSA-N -1 3 358.423 2.832 20 30 FFEDHM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848136965 1059106739 /nfs/dbraw/zinc/10/67/39/1059106739.db2.gz VEYKWPFBSMWQSY-QGZVFWFLSA-N -1 3 365.389 2.769 20 30 FFEDHM CCc1ccccc1O[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000848139610 1059115814 /nfs/dbraw/zinc/11/58/14/1059115814.db2.gz ZODRGDDGQHVHMT-MJGOQNOKSA-N -1 3 368.433 2.866 20 30 FFEDHM N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)cc1 ZINC000848139614 1059115975 /nfs/dbraw/zinc/11/59/75/1059115975.db2.gz ZRQWJGDIDVXGTH-GOSISDBHSA-N -1 3 365.389 2.655 20 30 FFEDHM CC(C)c1ccc(-c2nc(CC(=O)N[C@H]3CCCN([O-])C3=O)cs2)cc1 ZINC000848139283 1059118060 /nfs/dbraw/zinc/11/80/60/1059118060.db2.gz ZEFPJGJVPPHUGJ-INIZCTEOSA-N -1 3 373.478 2.972 20 30 FFEDHM C#CCCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001515295717 1059511585 /nfs/dbraw/zinc/51/15/85/1059511585.db2.gz JFGKNJBKUTUFJQ-SJORKVTESA-N -1 3 356.466 2.943 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001520596498 1059855114 /nfs/dbraw/zinc/85/51/14/1059855114.db2.gz PAUMAYZAVPNHRP-CYBMUJFWSA-N -1 3 355.780 2.528 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001520596498 1059855141 /nfs/dbraw/zinc/85/51/41/1059855141.db2.gz PAUMAYZAVPNHRP-CYBMUJFWSA-N -1 3 355.780 2.528 20 30 FFEDHM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N([O-])Cc1ccccc1Cl ZINC001458001712 1060488296 /nfs/dbraw/zinc/48/82/96/1060488296.db2.gz GOBCLUMIHIFNKE-UHFFFAOYSA-N -1 3 373.796 2.564 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)c1ccccc1 ZINC001475430003 1061086174 /nfs/dbraw/zinc/08/61/74/1061086174.db2.gz MRTZUKXYCIANCZ-LLVKDONJSA-N -1 3 369.215 2.636 20 30 FFEDHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001475574619 1061145906 /nfs/dbraw/zinc/14/59/06/1061145906.db2.gz GCZCSZZTOKBUII-UHFFFAOYSA-N -1 3 361.370 2.816 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnn(C)c1Br ZINC001464063711 1062406968 /nfs/dbraw/zinc/40/69/68/1062406968.db2.gz RETUJAGSTBNQHN-MNOVXSKESA-N -1 3 362.293 2.596 20 30 FFEDHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC001464161517 1062456688 /nfs/dbraw/zinc/45/66/88/1062456688.db2.gz SCHGDCMPTGDYPF-BDJLRTHQSA-N -1 3 350.827 2.612 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC ZINC001464255909 1062507875 /nfs/dbraw/zinc/50/78/75/1062507875.db2.gz OICHWNNZXKCUER-CYBMUJFWSA-N -1 3 366.266 2.921 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](Cc2nccs2)C1 ZINC001524189461 1062749046 /nfs/dbraw/zinc/74/90/46/1062749046.db2.gz NVWWBRWQSAIPNV-GFCCVEGCSA-N -1 3 372.454 2.740 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CC#N)c2)ccc1F ZINC001533222866 1063259953 /nfs/dbraw/zinc/25/99/53/1063259953.db2.gz BBAKLEBKLOJPLS-UHFFFAOYSA-N -1 3 373.409 2.608 20 30 FFEDHM N#CC1(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)CCSCC1 ZINC001472242534 1064985655 /nfs/dbraw/zinc/98/56/55/1064985655.db2.gz PASBMUJWXVMEHN-UHFFFAOYSA-N -1 3 370.434 2.742 20 30 FFEDHM N#CC1(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CCSCC1 ZINC001472242534 1064985664 /nfs/dbraw/zinc/98/56/64/1064985664.db2.gz PASBMUJWXVMEHN-UHFFFAOYSA-N -1 3 370.434 2.742 20 30 FFEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001472289050 1065004456 /nfs/dbraw/zinc/00/44/56/1065004456.db2.gz PTGQGQGLEHEUBF-LEUOFYLZSA-N -1 3 362.433 3.000 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 ZINC001472621219 1065112483 /nfs/dbraw/zinc/11/24/83/1065112483.db2.gz LPWVZYULTQXWBE-QGZVFWFLSA-N -1 3 350.415 2.995 20 30 FFEDHM N#Cc1cnc(N2CCN(C(=O)c3ccccc3[O-])CC2)c2sccc21 ZINC001472653942 1065122190 /nfs/dbraw/zinc/12/21/90/1065122190.db2.gz DHTDJNQHCHUGIC-UHFFFAOYSA-N -1 3 364.430 2.836 20 30 FFEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)ccc1C#N ZINC001578923136 1078546162 /nfs/dbraw/zinc/54/61/62/1078546162.db2.gz SLHSUQRGBAZZPS-UHFFFAOYSA-N -1 3 356.748 2.807 20 30 FFEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1C#N ZINC001578923136 1078546167 /nfs/dbraw/zinc/54/61/67/1078546167.db2.gz SLHSUQRGBAZZPS-UHFFFAOYSA-N -1 3 356.748 2.807 20 30 FFEDHM CN(c1cc(Br)c(-c2nnn[n-]2)cc1F)[C@@H]1CCC[C@@H]1C#N ZINC001579266071 1078606020 /nfs/dbraw/zinc/60/60/20/1078606020.db2.gz COQZFMLPBUXUSA-PRHODGIISA-N -1 3 365.210 2.897 20 30 FFEDHM CN(c1cc(Br)c(-c2nn[n-]n2)cc1F)[C@@H]1CCC[C@@H]1C#N ZINC001579266071 1078606022 /nfs/dbraw/zinc/60/60/22/1078606022.db2.gz COQZFMLPBUXUSA-PRHODGIISA-N -1 3 365.210 2.897 20 30 FFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC001580932109 1078894849 /nfs/dbraw/zinc/89/48/49/1078894849.db2.gz AOKVUIBETVAVMQ-UHFFFAOYSA-N -1 3 350.357 2.757 20 30 FFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC001580932109 1078894855 /nfs/dbraw/zinc/89/48/55/1078894855.db2.gz AOKVUIBETVAVMQ-UHFFFAOYSA-N -1 3 350.357 2.757 20 30 FFEDHM N#CCCN(Cc1ccco1)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001581858312 1079009190 /nfs/dbraw/zinc/00/91/90/1079009190.db2.gz ZXBFTMZPSGQFMP-UHFFFAOYSA-N -1 3 355.333 2.547 20 30 FFEDHM N#CCCN(Cc1ccco1)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001581858312 1079009202 /nfs/dbraw/zinc/00/92/02/1079009202.db2.gz ZXBFTMZPSGQFMP-UHFFFAOYSA-N -1 3 355.333 2.547 20 30 FFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(OCC2CCCC2)CC1 ZINC001581874424 1079010988 /nfs/dbraw/zinc/01/09/88/1079010988.db2.gz RCXNHFQGTBTJHB-UHFFFAOYSA-N -1 3 352.442 2.914 20 30 FFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(OCC2CCCC2)CC1 ZINC001581874424 1079010993 /nfs/dbraw/zinc/01/09/93/1079010993.db2.gz RCXNHFQGTBTJHB-UHFFFAOYSA-N -1 3 352.442 2.914 20 30 FFEDHM C=CCC1(CNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])CCCC1 ZINC001556586873 1075755726 /nfs/dbraw/zinc/75/57/26/1075755726.db2.gz JQSLDMJDKFGHCD-UHFFFAOYSA-N -1 3 371.412 2.740 20 30 FFEDHM C=CCC1(CNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)CCCC1 ZINC001556586873 1075755727 /nfs/dbraw/zinc/75/57/27/1075755727.db2.gz JQSLDMJDKFGHCD-UHFFFAOYSA-N -1 3 371.412 2.740 20 30 FFEDHM CCOC(=O)c1ccc(-c2ccc(CN[C@H]3CCCN([O-])C3=O)o2)cc1 ZINC001560913599 1076308820 /nfs/dbraw/zinc/30/88/20/1076308820.db2.gz XOGCVXUJLGYHTM-INIZCTEOSA-N -1 3 358.394 2.593 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)Cc3csc(C#N)c3)CCCCC2)no1 ZINC001561114783 1076334455 /nfs/dbraw/zinc/33/44/55/1076334455.db2.gz VLBIGNPAMNMUID-UHFFFAOYSA-N -1 3 366.468 2.590 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c(F)cc1[N+](=O)[O-] ZINC001561302673 1076359329 /nfs/dbraw/zinc/35/93/29/1076359329.db2.gz ZDPIFCZZXKGHAN-UHFFFAOYSA-N -1 3 367.333 2.532 20 30 FFEDHM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3ccc(C#N)cc3Cl)C2)cn1 ZINC001574453596 1077992318 /nfs/dbraw/zinc/99/23/18/1077992318.db2.gz IMCMMPLMLTYOJL-GJZGRUSLSA-N -1 3 358.829 2.635 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588325555 1079983986 /nfs/dbraw/zinc/98/39/86/1079983986.db2.gz ONNVLYOMXKIISC-DOMZBBRYSA-N -1 3 366.347 2.571 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588325555 1079983991 /nfs/dbraw/zinc/98/39/91/1079983991.db2.gz ONNVLYOMXKIISC-DOMZBBRYSA-N -1 3 366.347 2.571 20 30 FFEDHM C#CCCCC(=O)N[C@@H]1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588338597 1079990325 /nfs/dbraw/zinc/99/03/25/1079990325.db2.gz MXFOSAUHRUQZJG-UONOGXRCSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCCCC(=O)N[C@@H]1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588338597 1079990328 /nfs/dbraw/zinc/99/03/28/1079990328.db2.gz MXFOSAUHRUQZJG-UONOGXRCSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CC[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001588337754 1079990552 /nfs/dbraw/zinc/99/05/52/1079990552.db2.gz WBRASTJIPLRPRU-VIFPVBQESA-N -1 3 358.327 2.682 20 30 FFEDHM C#CC[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001588337754 1079990555 /nfs/dbraw/zinc/99/05/55/1079990555.db2.gz WBRASTJIPLRPRU-VIFPVBQESA-N -1 3 358.327 2.682 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588362188 1079993226 /nfs/dbraw/zinc/99/32/26/1079993226.db2.gz VLSIZFADAHDMDV-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588362188 1079993230 /nfs/dbraw/zinc/99/32/30/1079993230.db2.gz VLSIZFADAHDMDV-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM C#Cc1cccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001588374856 1079997470 /nfs/dbraw/zinc/99/74/70/1079997470.db2.gz SQQRVKRCZKEUOA-UHFFFAOYSA-N -1 3 366.812 2.501 20 30 FFEDHM C#Cc1cccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001588374856 1079997474 /nfs/dbraw/zinc/99/74/74/1079997474.db2.gz SQQRVKRCZKEUOA-UHFFFAOYSA-N -1 3 366.812 2.501 20 30 FFEDHM C#Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2Br)cc1 ZINC001588374989 1079997708 /nfs/dbraw/zinc/99/77/08/1079997708.db2.gz ZWBWONNSSNNYJC-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C#Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2Br)cc1 ZINC001588374989 1079997712 /nfs/dbraw/zinc/99/77/12/1079997712.db2.gz ZWBWONNSSNNYJC-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588392015 1080002847 /nfs/dbraw/zinc/00/28/47/1080002847.db2.gz UDGXFOHAJTWVAZ-KGLIPLIRSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588392015 1080002855 /nfs/dbraw/zinc/00/28/55/1080002855.db2.gz UDGXFOHAJTWVAZ-KGLIPLIRSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC001588401143 1080009982 /nfs/dbraw/zinc/00/99/82/1080009982.db2.gz METCPLQKKYTBRW-BMLIUANNSA-N -1 3 372.379 2.508 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC001588401143 1080009990 /nfs/dbraw/zinc/00/99/90/1080009990.db2.gz METCPLQKKYTBRW-BMLIUANNSA-N -1 3 372.379 2.508 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588401007 1080010130 /nfs/dbraw/zinc/01/01/30/1080010130.db2.gz KKMQPBMNGFBHBD-BXKDBHETSA-N -1 3 354.336 2.674 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588401007 1080010140 /nfs/dbraw/zinc/01/01/40/1080010140.db2.gz KKMQPBMNGFBHBD-BXKDBHETSA-N -1 3 354.336 2.674 20 30 FFEDHM C=C(C)[C@H](CC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)OCC ZINC001588402721 1080010201 /nfs/dbraw/zinc/01/02/01/1080010201.db2.gz KWLXSPLMZMQWHB-SJORKVTESA-N -1 3 355.442 2.732 20 30 FFEDHM C=C(C)[C@H](CC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)OCC ZINC001588402721 1080010209 /nfs/dbraw/zinc/01/02/09/1080010209.db2.gz KWLXSPLMZMQWHB-SJORKVTESA-N -1 3 355.442 2.732 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1)OCC ZINC001588400933 1080011062 /nfs/dbraw/zinc/01/10/62/1080011062.db2.gz JEQUPEWZYBAUNR-HNNXBMFYSA-N -1 3 352.398 2.725 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1)OCC ZINC001588400933 1080011073 /nfs/dbraw/zinc/01/10/73/1080011073.db2.gz JEQUPEWZYBAUNR-HNNXBMFYSA-N -1 3 352.398 2.725 20 30 FFEDHM C=C(C)CCc1noc([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001588425775 1080023584 /nfs/dbraw/zinc/02/35/84/1080023584.db2.gz UNSOGXCMHUQHNY-ZDUSSCGKSA-N -1 3 369.404 2.891 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC=C(C)CC1 ZINC001588436418 1080026847 /nfs/dbraw/zinc/02/68/47/1080026847.db2.gz KOFNYNPVPHLGJW-UHFFFAOYSA-N -1 3 362.441 2.858 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC=C(C)CC1 ZINC001588436418 1080026854 /nfs/dbraw/zinc/02/68/54/1080026854.db2.gz KOFNYNPVPHLGJW-UHFFFAOYSA-N -1 3 362.441 2.858 20 30 FFEDHM C=C(C)Cn1c(CCC)nnc1N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588438536 1080028258 /nfs/dbraw/zinc/02/82/58/1080028258.db2.gz TZJOGLOZYMFLKI-UHFFFAOYSA-N -1 3 358.475 2.685 20 30 FFEDHM C=C(C)Cn1c(CCC)nnc1N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588438536 1080028267 /nfs/dbraw/zinc/02/82/67/1080028267.db2.gz TZJOGLOZYMFLKI-UHFFFAOYSA-N -1 3 358.475 2.685 20 30 FFEDHM C=C1CC(C)(C(=O)NC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C2CC2)C1 ZINC001588456174 1080032511 /nfs/dbraw/zinc/03/25/11/1080032511.db2.gz URYPHPCWFFDROP-OAHLLOKOSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)NC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001588456174 1080032521 /nfs/dbraw/zinc/03/25/21/1080032521.db2.gz URYPHPCWFFDROP-OAHLLOKOSA-N -1 3 370.432 2.669 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588481710 1080046051 /nfs/dbraw/zinc/04/60/51/1080046051.db2.gz NREHGXSWPHUGKT-HAQNSBGRSA-N -1 3 358.421 2.525 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588481710 1080046060 /nfs/dbraw/zinc/04/60/60/1080046060.db2.gz NREHGXSWPHUGKT-HAQNSBGRSA-N -1 3 358.421 2.525 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588483535 1080046112 /nfs/dbraw/zinc/04/61/12/1080046112.db2.gz MTTWDSZIVPEMPK-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588483535 1080046119 /nfs/dbraw/zinc/04/61/19/1080046119.db2.gz MTTWDSZIVPEMPK-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588487471 1080050021 /nfs/dbraw/zinc/05/00/21/1080050021.db2.gz RUENTQLHIPCYDN-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=CC(C)(C)CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588487471 1080050027 /nfs/dbraw/zinc/05/00/27/1080050027.db2.gz RUENTQLHIPCYDN-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588484981 1080050371 /nfs/dbraw/zinc/05/03/71/1080050371.db2.gz UESHBLOARIDGSA-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588484981 1080050381 /nfs/dbraw/zinc/05/03/81/1080050381.db2.gz UESHBLOARIDGSA-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588488207 1080051807 /nfs/dbraw/zinc/05/18/07/1080051807.db2.gz FXHCWCMZVGLWEY-MHVYXZCWSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588488207 1080051816 /nfs/dbraw/zinc/05/18/16/1080051816.db2.gz FXHCWCMZVGLWEY-MHVYXZCWSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588520957 1080073352 /nfs/dbraw/zinc/07/33/52/1080073352.db2.gz HDMGTLYTFXBNCM-KGLIPLIRSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588520957 1080073359 /nfs/dbraw/zinc/07/33/59/1080073359.db2.gz HDMGTLYTFXBNCM-KGLIPLIRSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(=O)OC ZINC001588526509 1080077554 /nfs/dbraw/zinc/07/75/54/1080077554.db2.gz XOWUZGFBVBRJAR-OAHLLOKOSA-N -1 3 351.366 2.799 20 30 FFEDHM C=C[C@@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(=O)OC ZINC001588526509 1080077563 /nfs/dbraw/zinc/07/75/63/1080077563.db2.gz XOWUZGFBVBRJAR-OAHLLOKOSA-N -1 3 351.366 2.799 20 30 FFEDHM C=C[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588527767 1080078736 /nfs/dbraw/zinc/07/87/36/1080078736.db2.gz VWWMJTXULMSSEO-LLVKDONJSA-N -1 3 351.370 2.868 20 30 FFEDHM C=C[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588527767 1080078742 /nfs/dbraw/zinc/07/87/42/1080078742.db2.gz VWWMJTXULMSSEO-LLVKDONJSA-N -1 3 351.370 2.868 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588532624 1080080970 /nfs/dbraw/zinc/08/09/70/1080080970.db2.gz AYZQQGWINWCJMJ-AWEZNQCLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588532624 1080080982 /nfs/dbraw/zinc/08/09/82/1080080982.db2.gz AYZQQGWINWCJMJ-AWEZNQCLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588532579 1080082162 /nfs/dbraw/zinc/08/21/62/1080082162.db2.gz ZZZZVUJOSBCYLR-INIZCTEOSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588532579 1080082169 /nfs/dbraw/zinc/08/21/69/1080082169.db2.gz ZZZZVUJOSBCYLR-INIZCTEOSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(CC=C)C(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588541582 1080088182 /nfs/dbraw/zinc/08/81/82/1080088182.db2.gz ORTMIHIPQLTWMN-UHFFFAOYSA-N -1 3 358.421 2.645 20 30 FFEDHM C=CCC(CC=C)C(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588541582 1080088191 /nfs/dbraw/zinc/08/81/91/1080088191.db2.gz ORTMIHIPQLTWMN-UHFFFAOYSA-N -1 3 358.421 2.645 20 30 FFEDHM C=CCC1(C(=O)N2CC[C@H](N(C)c3cccc(-c4nnn[n-]4)c3)C2)CCC1 ZINC001588549767 1080090614 /nfs/dbraw/zinc/09/06/14/1080090614.db2.gz XKFQCEOJBKHXBX-KRWDZBQOSA-N -1 3 366.469 2.650 20 30 FFEDHM C=CCC1(C(=O)N2CC[C@H](N(C)c3cccc(-c4nn[n-]n4)c3)C2)CCC1 ZINC001588549767 1080090624 /nfs/dbraw/zinc/09/06/24/1080090624.db2.gz XKFQCEOJBKHXBX-KRWDZBQOSA-N -1 3 366.469 2.650 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001588552481 1080091363 /nfs/dbraw/zinc/09/13/63/1080091363.db2.gz XXUFOGTUODZFLJ-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001588552481 1080091368 /nfs/dbraw/zinc/09/13/68/1080091368.db2.gz XXUFOGTUODZFLJ-UONOGXRCSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(O)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)CC1 ZINC001588556665 1080095385 /nfs/dbraw/zinc/09/53/85/1080095385.db2.gz CAOFTBIBGSWDMT-UHFFFAOYSA-N -1 3 368.441 2.679 20 30 FFEDHM C=CCC1(O)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)CC1 ZINC001588556665 1080095394 /nfs/dbraw/zinc/09/53/94/1080095394.db2.gz CAOFTBIBGSWDMT-UHFFFAOYSA-N -1 3 368.441 2.679 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588559397 1080097368 /nfs/dbraw/zinc/09/73/68/1080097368.db2.gz JWXDUODBCATIIX-SUMWQHHRSA-N -1 3 352.442 2.852 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588559397 1080097375 /nfs/dbraw/zinc/09/73/75/1080097375.db2.gz JWXDUODBCATIIX-SUMWQHHRSA-N -1 3 352.442 2.852 20 30 FFEDHM C=CCCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001588562350 1080098694 /nfs/dbraw/zinc/09/86/94/1080098694.db2.gz MYYSPTOPOSZWFC-CQSZACIVSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001588562350 1080098702 /nfs/dbraw/zinc/09/87/02/1080098702.db2.gz MYYSPTOPOSZWFC-CQSZACIVSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001588566956 1080101749 /nfs/dbraw/zinc/10/17/49/1080101749.db2.gz PCCRHRDAGBFTBC-IUODEOHRSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001588566956 1080101751 /nfs/dbraw/zinc/10/17/51/1080101751.db2.gz PCCRHRDAGBFTBC-IUODEOHRSA-N -1 3 373.436 2.549 20 30 FFEDHM C=CCCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588570982 1080103271 /nfs/dbraw/zinc/10/32/71/1080103271.db2.gz SNQHFABOLNCRKT-HOCLYGCPSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588570982 1080103278 /nfs/dbraw/zinc/10/32/78/1080103278.db2.gz SNQHFABOLNCRKT-HOCLYGCPSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588587549 1080111577 /nfs/dbraw/zinc/11/15/77/1080111577.db2.gz XQNBPBYUERJSAW-HUUCEWRRSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588587549 1080111584 /nfs/dbraw/zinc/11/15/84/1080111584.db2.gz XQNBPBYUERJSAW-HUUCEWRRSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588588639 1080112627 /nfs/dbraw/zinc/11/26/27/1080112627.db2.gz VIRLSWMCIDALES-GDBMZVCRSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588588639 1080112631 /nfs/dbraw/zinc/11/26/31/1080112631.db2.gz VIRLSWMCIDALES-GDBMZVCRSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCCCCCNS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588594307 1080116806 /nfs/dbraw/zinc/11/68/06/1080116806.db2.gz SMKSJTRRVNDKJD-UHFFFAOYSA-N -1 3 367.450 2.811 20 30 FFEDHM C=CCCCCCCCNS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588594307 1080116808 /nfs/dbraw/zinc/11/68/08/1080116808.db2.gz SMKSJTRRVNDKJD-UHFFFAOYSA-N -1 3 367.450 2.811 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H](C)COC ZINC001588625027 1080126352 /nfs/dbraw/zinc/12/63/52/1080126352.db2.gz BISHZXPGTAMOGD-JTQLQIEISA-N -1 3 350.810 2.575 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H](C)COC ZINC001588625027 1080126357 /nfs/dbraw/zinc/12/63/57/1080126357.db2.gz BISHZXPGTAMOGD-JTQLQIEISA-N -1 3 350.810 2.575 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC12CC(OCC)C2 ZINC001588638702 1080131895 /nfs/dbraw/zinc/13/18/95/1080131895.db2.gz HQDRHNFDBVYPEY-OHTSDLOESA-N -1 3 367.453 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC12CC(OCC)C2 ZINC001588638702 1080131904 /nfs/dbraw/zinc/13/19/04/1080131904.db2.gz HQDRHNFDBVYPEY-OHTSDLOESA-N -1 3 367.453 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](O)CC[C@@H](C)CC ZINC001588639777 1080133074 /nfs/dbraw/zinc/13/30/74/1080133074.db2.gz GLCUZCLSRKXHLW-MAUKXSAKSA-N -1 3 371.485 2.959 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](O)CC[C@@H](C)CC ZINC001588639777 1080133079 /nfs/dbraw/zinc/13/30/79/1080133079.db2.gz GLCUZCLSRKXHLW-MAUKXSAKSA-N -1 3 371.485 2.959 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC001588642193 1080135985 /nfs/dbraw/zinc/13/59/85/1080135985.db2.gz VVCCAARALFLTSE-JKSUJKDBSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC001588642193 1080135989 /nfs/dbraw/zinc/13/59/89/1080135989.db2.gz VVCCAARALFLTSE-JKSUJKDBSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC001588649177 1080139982 /nfs/dbraw/zinc/13/99/82/1080139982.db2.gz JWRXOPRNBKIWCD-IAGOWNOFSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC001588649177 1080139987 /nfs/dbraw/zinc/13/99/87/1080139987.db2.gz JWRXOPRNBKIWCD-IAGOWNOFSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCn1c(Cc2ccc(-c3nnn[n-]3)cc2)nnc1N1CCCCCC1 ZINC001588703479 1080161587 /nfs/dbraw/zinc/16/15/87/1080161587.db2.gz PSEPENCNRYTJEG-UHFFFAOYSA-N -1 3 364.457 2.615 20 30 FFEDHM C=CCn1c(Cc2ccc(-c3nn[n-]n3)cc2)nnc1N1CCCCCC1 ZINC001588703479 1080161591 /nfs/dbraw/zinc/16/15/91/1080161591.db2.gz PSEPENCNRYTJEG-UHFFFAOYSA-N -1 3 364.457 2.615 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588716372 1080167318 /nfs/dbraw/zinc/16/73/18/1080167318.db2.gz DKPVIRAHIPGQSI-SJORKVTESA-N -1 3 367.453 2.528 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588716372 1080167323 /nfs/dbraw/zinc/16/73/23/1080167323.db2.gz DKPVIRAHIPGQSI-SJORKVTESA-N -1 3 367.453 2.528 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588718393 1080169639 /nfs/dbraw/zinc/16/96/39/1080169639.db2.gz KZJZVRFWIQRSPY-CVEARBPZSA-N -1 3 354.414 2.599 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588718393 1080169642 /nfs/dbraw/zinc/16/96/42/1080169642.db2.gz KZJZVRFWIQRSPY-CVEARBPZSA-N -1 3 354.414 2.599 20 30 FFEDHM CC#CCN(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588746139 1080178521 /nfs/dbraw/zinc/17/85/21/1080178521.db2.gz MEECCOVPVLKHPG-UHFFFAOYSA-N -1 3 363.381 2.541 20 30 FFEDHM CC#CCN(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588746139 1080178526 /nfs/dbraw/zinc/17/85/26/1080178526.db2.gz MEECCOVPVLKHPG-UHFFFAOYSA-N -1 3 363.381 2.541 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588831862 1080211650 /nfs/dbraw/zinc/21/16/50/1080211650.db2.gz URELYVMMMMEOJU-KBXCAEBGSA-N -1 3 350.484 2.838 20 30 FFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001588892611 1080241357 /nfs/dbraw/zinc/24/13/57/1080241357.db2.gz HIUUIOLQGHZBIF-UHFFFAOYSA-N -1 3 372.388 2.611 20 30 FFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001588892611 1080241368 /nfs/dbraw/zinc/24/13/68/1080241368.db2.gz HIUUIOLQGHZBIF-UHFFFAOYSA-N -1 3 372.388 2.611 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001588917295 1080263285 /nfs/dbraw/zinc/26/32/85/1080263285.db2.gz VIZLOLGPKBKJKO-OLZOCXBDSA-N -1 3 373.236 2.953 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588924366 1080267693 /nfs/dbraw/zinc/26/76/93/1080267693.db2.gz LDSNWRCKUHKLTN-IBGZPJMESA-N -1 3 364.384 2.651 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588924366 1080267702 /nfs/dbraw/zinc/26/77/02/1080267702.db2.gz LDSNWRCKUHKLTN-IBGZPJMESA-N -1 3 364.384 2.651 20 30 FFEDHM CC(C)(C)C#CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC001589071948 1080337626 /nfs/dbraw/zinc/33/76/26/1080337626.db2.gz YYRHYBQTGBVMKQ-UHFFFAOYSA-N -1 3 363.215 2.722 20 30 FFEDHM CC(C)(C)C#CC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC001589071948 1080337630 /nfs/dbraw/zinc/33/76/30/1080337630.db2.gz YYRHYBQTGBVMKQ-UHFFFAOYSA-N -1 3 363.215 2.722 20 30 FFEDHM CC(C)(C)c1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1 ZINC001589243801 1080442841 /nfs/dbraw/zinc/44/28/41/1080442841.db2.gz HRWRCJRRQUUZHC-UHFFFAOYSA-N -1 3 372.483 2.762 20 30 FFEDHM CC(C)(C)c1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1 ZINC001589243801 1080442843 /nfs/dbraw/zinc/44/28/43/1080442843.db2.gz HRWRCJRRQUUZHC-UHFFFAOYSA-N -1 3 372.483 2.762 20 30 FFEDHM CC(C)[C@](C)(O)CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589430459 1080528479 /nfs/dbraw/zinc/52/84/79/1080528479.db2.gz ZDIHSLDBOJFQOV-LJQANCHMSA-N -1 3 369.473 2.611 20 30 FFEDHM CC(C)[C@](C)(O)CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589430459 1080528481 /nfs/dbraw/zinc/52/84/81/1080528481.db2.gz ZDIHSLDBOJFQOV-LJQANCHMSA-N -1 3 369.473 2.611 20 30 FFEDHM CC(C)Cc1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC001589664935 1080658408 /nfs/dbraw/zinc/65/84/08/1080658408.db2.gz BRNWOZBXXCDXCE-UHFFFAOYSA-N -1 3 353.411 2.646 20 30 FFEDHM CC(C)Cc1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC001589664935 1080658412 /nfs/dbraw/zinc/65/84/12/1080658412.db2.gz BRNWOZBXXCDXCE-UHFFFAOYSA-N -1 3 353.411 2.646 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2c1cccc2C#N ZINC001589894746 1080841883 /nfs/dbraw/zinc/84/18/83/1080841883.db2.gz QJKOEDNBHGOUFB-ZDUSSCGKSA-N -1 3 358.405 2.506 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2c1cccc2C#N ZINC001589894746 1080841886 /nfs/dbraw/zinc/84/18/86/1080841886.db2.gz QJKOEDNBHGOUFB-ZDUSSCGKSA-N -1 3 358.405 2.506 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC001589896146 1080842534 /nfs/dbraw/zinc/84/25/34/1080842534.db2.gz WEICGNYYXCXTJK-CWRNSKLLSA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC001589896146 1080842541 /nfs/dbraw/zinc/84/25/41/1080842541.db2.gz WEICGNYYXCXTJK-CWRNSKLLSA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC001589896391 1080842993 /nfs/dbraw/zinc/84/29/93/1080842993.db2.gz XPLYQAOFDFPNNE-ZIAGYGMSSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC001589896391 1080842997 /nfs/dbraw/zinc/84/29/97/1080842997.db2.gz XPLYQAOFDFPNNE-ZIAGYGMSSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1(C#N)CCC1 ZINC001590033562 1080959507 /nfs/dbraw/zinc/95/95/07/1080959507.db2.gz XMJWMRQPYNPQKX-VIFPVBQESA-N -1 3 362.846 2.563 20 30 FFEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1(C#N)CCC1 ZINC001590033562 1080959512 /nfs/dbraw/zinc/95/95/12/1080959512.db2.gz XMJWMRQPYNPQKX-VIFPVBQESA-N -1 3 362.846 2.563 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001590044614 1080971524 /nfs/dbraw/zinc/97/15/24/1080971524.db2.gz SLJKHRGMCRTTPU-WWGRRREGSA-N -1 3 353.430 2.651 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001590044614 1080971528 /nfs/dbraw/zinc/97/15/28/1080971528.db2.gz SLJKHRGMCRTTPU-WWGRRREGSA-N -1 3 353.430 2.651 20 30 FFEDHM CC1(c2ccc(CNc3c(C#N)cccc3-c3nnn[n-]3)cc2)OCCO1 ZINC001590153805 1081056130 /nfs/dbraw/zinc/05/61/30/1081056130.db2.gz ZYDAHRFGRYXYOA-UHFFFAOYSA-N -1 3 362.393 2.570 20 30 FFEDHM CC1(c2ccc(CNc3c(C#N)cccc3-c3nn[n-]n3)cc2)OCCO1 ZINC001590153805 1081056137 /nfs/dbraw/zinc/05/61/37/1081056137.db2.gz ZYDAHRFGRYXYOA-UHFFFAOYSA-N -1 3 362.393 2.570 20 30 FFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590238900 1081114450 /nfs/dbraw/zinc/11/44/50/1081114450.db2.gz JSDNYFXPCXJJKK-XJTZBENFSA-N -1 3 350.426 2.559 20 30 FFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590238900 1081114452 /nfs/dbraw/zinc/11/44/52/1081114452.db2.gz JSDNYFXPCXJJKK-XJTZBENFSA-N -1 3 350.426 2.559 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc(-c2ccccc2)c[nH]1 ZINC000372990659 512121747 /nfs/dbraw/zinc/12/17/47/512121747.db2.gz QRRZDNAVDBBFRB-AWEZNQCLSA-N -1 3 367.434 2.773 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1c1ncon1 ZINC000273316080 252280407 /nfs/dbraw/zinc/28/04/07/252280407.db2.gz YDOUQINRARQZQC-MRXNPFEDSA-N -1 3 369.425 2.735 20 30 FFEDHM COC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1nccs1 ZINC000278496568 256318696 /nfs/dbraw/zinc/31/86/96/256318696.db2.gz QBEMKXPRYSEVNN-CQSZACIVSA-N -1 3 361.423 2.596 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000288705889 257219529 /nfs/dbraw/zinc/21/95/29/257219529.db2.gz YXUVJLIQRQDIMD-YJYMSZOUSA-N -1 3 351.406 2.847 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1cc(C)cc(C)c1 ZINC000289186739 257264268 /nfs/dbraw/zinc/26/42/68/257264268.db2.gz NQGGWQLJJISUEX-SFHVURJKSA-N -1 3 372.446 2.509 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000291277732 257395399 /nfs/dbraw/zinc/39/53/99/257395399.db2.gz RVAGYGXZZZKQMX-MJGOQNOKSA-N -1 3 369.465 2.768 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCCC2)O1 ZINC000330120336 258155565 /nfs/dbraw/zinc/15/55/65/258155565.db2.gz AZYBQSYFRIQCLQ-HNNXBMFYSA-N -1 3 352.431 2.858 20 30 FFEDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000331070798 258176651 /nfs/dbraw/zinc/17/66/51/258176651.db2.gz RYAAAFKRYIBYEA-LRDDRELGSA-N -1 3 370.858 2.612 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230606708 509440927 /nfs/dbraw/zinc/44/09/27/509440927.db2.gz YJSULULBYWWJOX-UHFFFAOYSA-N -1 3 354.266 2.786 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Br)cc1 ZINC000235519695 509455063 /nfs/dbraw/zinc/45/50/63/509455063.db2.gz XQXGMXUWKVADHU-JTQLQIEISA-N -1 3 366.240 2.755 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000066393348 506505717 /nfs/dbraw/zinc/50/57/17/506505717.db2.gz ZWGQZWLMOHNSHM-CYBMUJFWSA-N -1 3 365.220 2.617 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000011760360 506793734 /nfs/dbraw/zinc/79/37/34/506793734.db2.gz KRTASULQOFLRBP-UHFFFAOYSA-N -1 3 367.405 2.596 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C#N)c2)cc1 ZINC000068925736 507363899 /nfs/dbraw/zinc/36/38/99/507363899.db2.gz ISSSJDRMRHAKPO-AWEZNQCLSA-N -1 3 357.435 2.746 20 30 FFEDHM CC(=O)N[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(C)cc1 ZINC000026252632 507572485 /nfs/dbraw/zinc/57/24/85/507572485.db2.gz YVNAMYQCACSVFD-LLVKDONJSA-N -1 3 355.320 2.987 20 30 FFEDHM CC(=O)N[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(C)cc1 ZINC000026252632 507572491 /nfs/dbraw/zinc/57/24/91/507572491.db2.gz YVNAMYQCACSVFD-LLVKDONJSA-N -1 3 355.320 2.987 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c(F)c1 ZINC000030359864 507807328 /nfs/dbraw/zinc/80/73/28/507807328.db2.gz QCOGNZHBORGPSD-LLVKDONJSA-N -1 3 361.398 2.695 20 30 FFEDHM COc1cccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1[O-] ZINC000078493100 507876708 /nfs/dbraw/zinc/87/67/08/507876708.db2.gz QXWTYRLMTJIESE-UHFFFAOYSA-N -1 3 365.433 2.621 20 30 FFEDHM CCN(CCC#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000078614775 507888985 /nfs/dbraw/zinc/88/89/85/507888985.db2.gz CZFUPIFJLHKGJG-UHFFFAOYSA-N -1 3 370.450 2.670 20 30 FFEDHM COC(=O)Cc1n[n-]c(NC(=O)C2(c3ccc(F)cc3F)CCCC2)n1 ZINC000090051019 507904416 /nfs/dbraw/zinc/90/44/16/507904416.db2.gz SIIRMMSZQALPJN-UHFFFAOYSA-N -1 3 364.352 2.898 20 30 FFEDHM COC(=O)Cc1nnc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)[n-]1 ZINC000090051019 507904417 /nfs/dbraw/zinc/90/44/17/507904417.db2.gz SIIRMMSZQALPJN-UHFFFAOYSA-N -1 3 364.352 2.898 20 30 FFEDHM COC(=O)Cc1nc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)n[n-]1 ZINC000090051019 507904421 /nfs/dbraw/zinc/90/44/21/507904421.db2.gz SIIRMMSZQALPJN-UHFFFAOYSA-N -1 3 364.352 2.898 20 30 FFEDHM COc1ccccc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000109458508 507964795 /nfs/dbraw/zinc/96/47/95/507964795.db2.gz LNJGSGJWGSTXEC-UHFFFAOYSA-N -1 3 350.378 2.707 20 30 FFEDHM Cc1cccc([C@@H](CC(=O)Nc2nnc(C(F)(F)F)[n-]2)NC(N)=O)c1 ZINC000073914585 507966845 /nfs/dbraw/zinc/96/68/45/507966845.db2.gz JJLFKTTYAWBYTO-SECBINFHSA-N -1 3 356.308 2.520 20 30 FFEDHM Cc1cccc([C@@H](CC(=O)Nc2nc(C(F)(F)F)n[n-]2)NC(N)=O)c1 ZINC000073914585 507966848 /nfs/dbraw/zinc/96/68/48/507966848.db2.gz JJLFKTTYAWBYTO-SECBINFHSA-N -1 3 356.308 2.520 20 30 FFEDHM C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)[n-]c(=O)nc1SC)C(C)C ZINC000081725018 508206567 /nfs/dbraw/zinc/20/65/67/508206567.db2.gz MFGQHPJRROTOPV-AWEZNQCLSA-N -1 3 364.515 2.641 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000081958393 508221457 /nfs/dbraw/zinc/22/14/57/508221457.db2.gz MNYPRVNIRSASIH-NRFANRHFSA-N -1 3 363.417 2.570 20 30 FFEDHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156584774 508445949 /nfs/dbraw/zinc/44/59/49/508445949.db2.gz MNAVUADFWOPVBO-SNVBAGLBSA-N -1 3 352.362 2.885 20 30 FFEDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000156775370 508475759 /nfs/dbraw/zinc/47/57/59/508475759.db2.gz BDOKFMVBFMHAKL-UHFFFAOYSA-N -1 3 359.329 2.660 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000157104081 508522554 /nfs/dbraw/zinc/52/25/54/508522554.db2.gz UKBVRYJAZZALCP-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157485040 508571873 /nfs/dbraw/zinc/57/18/73/508571873.db2.gz YIELFMLUYQYVSS-DIFFPNOSSA-N -1 3 357.391 2.678 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1c(C)nn(C)c1C ZINC000123221879 508654174 /nfs/dbraw/zinc/65/41/74/508654174.db2.gz GNJFXBBPEFUGLE-CQSZACIVSA-N -1 3 366.874 2.992 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000124331862 508816821 /nfs/dbraw/zinc/81/68/21/508816821.db2.gz NOGDELDRNCOQNE-CABCVRRESA-N -1 3 364.858 2.870 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)cc2)C1=O ZINC000119898128 508886115 /nfs/dbraw/zinc/88/61/15/508886115.db2.gz RJUGBLZMDXPFAE-LJQANCHMSA-N -1 3 356.426 2.874 20 30 FFEDHM N#Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000131991525 508987972 /nfs/dbraw/zinc/98/79/72/508987972.db2.gz YYWYMEHMXYDMJR-UHFFFAOYSA-N -1 3 369.808 2.515 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000120491682 509007853 /nfs/dbraw/zinc/00/78/53/509007853.db2.gz XTCWHBJXBTXQIH-SFHVURJKSA-N -1 3 358.463 2.732 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000161999377 509168898 /nfs/dbraw/zinc/16/88/98/509168898.db2.gz XVMKPLVGNIKQHX-HNNXBMFYSA-N -1 3 356.875 2.821 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000121566458 509178655 /nfs/dbraw/zinc/17/86/55/509178655.db2.gz KCLSSELSZAAGOB-UHFFFAOYSA-N -1 3 365.333 2.651 20 30 FFEDHM N#CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000179033815 509233200 /nfs/dbraw/zinc/23/32/00/509233200.db2.gz KUQHILLVGJNEOS-UHFFFAOYSA-N -1 3 351.306 2.586 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000185704078 509313559 /nfs/dbraw/zinc/31/35/59/509313559.db2.gz WPQMHJVHSNQLBU-UHFFFAOYSA-N -1 3 360.288 2.924 20 30 FFEDHM Cc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c([O-])c1O ZINC000179478815 509466915 /nfs/dbraw/zinc/46/69/15/509466915.db2.gz BEVKQIDMZHVQRV-UHFFFAOYSA-N -1 3 351.406 2.630 20 30 FFEDHM CC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCOCC1 ZINC000267818267 509626283 /nfs/dbraw/zinc/62/62/83/509626283.db2.gz QCCZGCLLKULBDI-UHFFFAOYSA-N -1 3 362.373 2.672 20 30 FFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000173537977 509645006 /nfs/dbraw/zinc/64/50/06/509645006.db2.gz IBCZCEJZBNAOLH-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000183377892 509748947 /nfs/dbraw/zinc/74/89/47/509748947.db2.gz CDEYNACISUZMRS-INIZCTEOSA-N -1 3 363.870 2.793 20 30 FFEDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)sc1C ZINC000180154279 509781493 /nfs/dbraw/zinc/78/14/93/509781493.db2.gz XLQRQAGWWZCDSN-UHFFFAOYSA-N -1 3 355.872 2.806 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2ccc(C#N)cc2)ccc1F ZINC000193236709 509830491 /nfs/dbraw/zinc/83/04/91/509830491.db2.gz SSPXNNDECKZWPI-UHFFFAOYSA-N -1 3 361.398 2.640 20 30 FFEDHM CC[C@H](CC#N)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183935883 510045758 /nfs/dbraw/zinc/04/57/58/510045758.db2.gz FHKGYNBCEPPWQU-GFCCVEGCSA-N -1 3 372.450 2.760 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC000184380333 510293962 /nfs/dbraw/zinc/29/39/62/510293962.db2.gz DHHGRPPPBBCCGV-UHFFFAOYSA-N -1 3 368.817 2.880 20 30 FFEDHM C=CC[C@@H](C(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000187485505 510294564 /nfs/dbraw/zinc/29/45/64/510294564.db2.gz OJWNDNUAKIIGJW-QZTJIDSGSA-N -1 3 363.417 2.736 20 30 FFEDHM CC(=O)c1cccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1 ZINC000181290844 510340195 /nfs/dbraw/zinc/34/01/95/510340195.db2.gz LHONWBCMFOXLMT-LLVKDONJSA-N -1 3 366.299 2.589 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177968434 510351203 /nfs/dbraw/zinc/35/12/03/510351203.db2.gz CNPKVQQYXWBSMZ-UHFFFAOYSA-N -1 3 363.417 2.954 20 30 FFEDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000187839375 510463641 /nfs/dbraw/zinc/46/36/41/510463641.db2.gz JAQIDFDMJQRECW-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000191092543 510501072 /nfs/dbraw/zinc/50/10/72/510501072.db2.gz NZSHCUFQXVONCF-MEBBXXQBSA-N -1 3 356.469 2.594 20 30 FFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C12CCC2 ZINC000184922703 510586047 /nfs/dbraw/zinc/58/60/47/510586047.db2.gz CGTRFGPMXMRCDO-HUUCEWRRSA-N -1 3 354.859 2.838 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccc2ccccc2c1 ZINC000181816795 510609353 /nfs/dbraw/zinc/60/93/53/510609353.db2.gz VKACEGCXKROJQE-QGZVFWFLSA-N -1 3 360.435 2.667 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000178540166 510655109 /nfs/dbraw/zinc/65/51/09/510655109.db2.gz OOBDMGMYSCTNHL-AWEZNQCLSA-N -1 3 350.346 2.639 20 30 FFEDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000188231879 510660656 /nfs/dbraw/zinc/66/06/56/510660656.db2.gz TVRVBVILAKNSAE-CHWSQXEVSA-N -1 3 355.891 2.610 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CCO)c1ccccc1 ZINC000178792235 510773715 /nfs/dbraw/zinc/77/37/15/510773715.db2.gz ASHXDGOXLOOIFU-AWEZNQCLSA-N -1 3 364.854 2.656 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)CCCCC1 ZINC000330018765 510901731 /nfs/dbraw/zinc/90/17/31/510901731.db2.gz UBTYSJJZZQFQNE-UHFFFAOYSA-N -1 3 350.488 2.892 20 30 FFEDHM CCOC(=O)[C@@](C)(C/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000276407840 510937043 /nfs/dbraw/zinc/93/70/43/510937043.db2.gz VPFWKBDNPKKXJV-XACCNFBGSA-N -1 3 356.422 2.528 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c1 ZINC000282474232 510992697 /nfs/dbraw/zinc/99/26/97/510992697.db2.gz XAWVTAPXKMXECI-OAHLLOKOSA-N -1 3 354.859 2.839 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000270972847 511043784 /nfs/dbraw/zinc/04/37/84/511043784.db2.gz UCWBHLSLDHYBCN-NVXWUHKLSA-N -1 3 355.438 2.569 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccc(F)cc1 ZINC000298282996 511233804 /nfs/dbraw/zinc/23/38/04/511233804.db2.gz DODCIBUTPKKBHG-UHFFFAOYSA-N -1 3 357.385 2.543 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CCCc2nc(-c3ccc(F)cc3)no2)c1[O-] ZINC000273362990 511522883 /nfs/dbraw/zinc/52/28/83/511522883.db2.gz SYQINEZOXCUNCM-UFFVCSGVSA-N -1 3 370.384 2.829 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000273486165 511529237 /nfs/dbraw/zinc/52/92/37/511529237.db2.gz MPJPHRVHAZSBRZ-UHFFFAOYSA-N -1 3 368.393 2.707 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2cn3ccccc3n2)no1 ZINC000273763683 511600704 /nfs/dbraw/zinc/60/07/04/511600704.db2.gz RCUNEEVMNVUKNS-UHFFFAOYSA-N -1 3 374.404 2.682 20 30 FFEDHM C=CCN1CC[C@H](Sc2n[n-]c(COc3ccc(Cl)cc3)n2)C1=O ZINC000280909523 511649785 /nfs/dbraw/zinc/64/97/85/511649785.db2.gz FMQMHHWPJGGHDN-ZDUSSCGKSA-N -1 3 364.858 2.916 20 30 FFEDHM Cc1nc(C(C)C)oc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000293208210 511881208 /nfs/dbraw/zinc/88/12/08/511881208.db2.gz BZLCQSNQRUBWBD-UHFFFAOYSA-N -1 3 350.382 2.870 20 30 FFEDHM CN(C)S(=O)(=O)C[C@H](/N=C/c1c([O-])ccc2ccccc21)C(F)(F)F ZINC000284942945 511939047 /nfs/dbraw/zinc/93/90/47/511939047.db2.gz CQDOGKVDUOLRPQ-FULVDIRDSA-N -1 3 374.384 2.787 20 30 FFEDHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@](C)(C#N)CSC)CC2 ZINC000284984429 511956964 /nfs/dbraw/zinc/95/69/64/511956964.db2.gz DZGDQGSCGCGEDB-MRXNPFEDSA-N -1 3 352.481 2.547 20 30 FFEDHM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000285223951 512043614 /nfs/dbraw/zinc/04/36/14/512043614.db2.gz APTCRBORTWZXDE-CMPLNLGQSA-N -1 3 362.373 2.528 20 30 FFEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccn1 ZINC000376393266 512798101 /nfs/dbraw/zinc/79/81/01/512798101.db2.gz BMDZQEYVJPSBGI-GOSISDBHSA-N -1 3 369.402 2.623 20 30 FFEDHM Cc1ccc2c(c1)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCO2 ZINC000376393778 512798207 /nfs/dbraw/zinc/79/82/07/512798207.db2.gz CNGDECWIUPRKLG-UHFFFAOYSA-N -1 3 365.433 2.938 20 30 FFEDHM CC(=O)c1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1[O-] ZINC000412367399 513054360 /nfs/dbraw/zinc/05/43/60/513054360.db2.gz VJCWCFGAHASFKH-UHFFFAOYSA-N -1 3 352.390 2.755 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000433888108 513178526 /nfs/dbraw/zinc/17/85/26/513178526.db2.gz NFMIHVGABALTCW-ZETCQYMHSA-N -1 3 371.178 2.797 20 30 FFEDHM COc1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1Br ZINC000425274441 513487540 /nfs/dbraw/zinc/48/75/40/513487540.db2.gz RHENDSRDARJQFV-NSHDSACASA-N -1 3 361.199 2.750 20 30 FFEDHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000435423821 513579856 /nfs/dbraw/zinc/57/98/56/513579856.db2.gz WIUQEYMMMKQDBQ-GFCCVEGCSA-N -1 3 358.485 2.654 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC000435437702 513588241 /nfs/dbraw/zinc/58/82/41/513588241.db2.gz LECHNRUYOSHPSO-WBVHZDCISA-N -1 3 351.468 2.534 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000435436738 513588846 /nfs/dbraw/zinc/58/88/46/513588846.db2.gz HNQVMTBGXXHRQC-GDBMZVCRSA-N -1 3 366.439 2.957 20 30 FFEDHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000435598240 513629987 /nfs/dbraw/zinc/62/99/87/513629987.db2.gz NXFSVGGMNMYQIB-UHFFFAOYSA-N -1 3 350.440 2.940 20 30 FFEDHM CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000447938583 513631504 /nfs/dbraw/zinc/63/15/04/513631504.db2.gz BCXPRWZXLLGNHB-HNNXBMFYSA-N -1 3 355.891 2.610 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC000413523729 513696876 /nfs/dbraw/zinc/69/68/76/513696876.db2.gz UUHUZVSDNJJMSF-JKSUJKDBSA-N -1 3 369.446 2.980 20 30 FFEDHM C=CCN(C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC)C1CC1 ZINC000442401778 513716209 /nfs/dbraw/zinc/71/62/09/513716209.db2.gz APNNWHMSQIOUGP-UHFFFAOYSA-N -1 3 364.467 2.849 20 30 FFEDHM N#CCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416380389 513741742 /nfs/dbraw/zinc/74/17/42/513741742.db2.gz AGQUHRMEAJZKRX-UHFFFAOYSA-N -1 3 351.306 2.586 20 30 FFEDHM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000442809563 513784535 /nfs/dbraw/zinc/78/45/35/513784535.db2.gz LALMUHNLBKPZLV-AWEZNQCLSA-N -1 3 373.434 2.993 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccn(-c2ccccc2)n1 ZINC000443029356 513846635 /nfs/dbraw/zinc/84/66/35/513846635.db2.gz GNXOSCMGJDLIGB-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM COc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000443094252 513870098 /nfs/dbraw/zinc/87/00/98/513870098.db2.gz NRHINYGJTGIHKT-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000443115369 513875867 /nfs/dbraw/zinc/87/58/67/513875867.db2.gz ZDGZFEHOYYCYTI-GFCCVEGCSA-N -1 3 361.404 2.592 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000443338981 513942662 /nfs/dbraw/zinc/94/26/62/513942662.db2.gz BNRALVVSNPMMQT-HNNXBMFYSA-N -1 3 352.362 2.502 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431645143 513954986 /nfs/dbraw/zinc/95/49/86/513954986.db2.gz NWXJKGOTBMPNON-HNNXBMFYSA-N -1 3 352.362 2.852 20 30 FFEDHM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436995506 514068059 /nfs/dbraw/zinc/06/80/59/514068059.db2.gz IRCUKHZMFXFRHQ-KRWDZBQOSA-N -1 3 371.824 2.774 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000452020162 514139017 /nfs/dbraw/zinc/13/90/17/514139017.db2.gz GPIUJQNJVYYJMY-LLVKDONJSA-N -1 3 358.510 2.785 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000452029335 514145531 /nfs/dbraw/zinc/14/55/31/514145531.db2.gz JBEVUGRESMKZHF-VIFPVBQESA-N -1 3 368.680 2.708 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)s1 ZINC000432285192 514147793 /nfs/dbraw/zinc/14/77/93/514147793.db2.gz TXVRQRXNMBLAGG-UHFFFAOYSA-N -1 3 361.370 2.555 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432305956 514154252 /nfs/dbraw/zinc/15/42/52/514154252.db2.gz JWRMADZCFWOTHQ-CYBMUJFWSA-N -1 3 369.368 2.968 20 30 FFEDHM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452055440 514164792 /nfs/dbraw/zinc/16/47/92/514164792.db2.gz BVEDOCVYRIVKBQ-CHWSQXEVSA-N -1 3 362.373 2.813 20 30 FFEDHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000420727574 514263365 /nfs/dbraw/zinc/26/33/65/514263365.db2.gz OSWVCWQZSFRYGZ-OLZOCXBDSA-N -1 3 373.272 2.557 20 30 FFEDHM C=CC[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438350175 514361313 /nfs/dbraw/zinc/36/13/13/514361313.db2.gz FAGSBHLMMALYKT-JTQLQIEISA-N -1 3 365.377 2.613 20 30 FFEDHM Cc1c([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc(Br)c1C#N ZINC000424066104 514364574 /nfs/dbraw/zinc/36/45/74/514364574.db2.gz MZYPDDGBTAXHAS-LLVKDONJSA-N -1 3 373.272 2.940 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2Cl)CC1 ZINC000428404112 514467655 /nfs/dbraw/zinc/46/76/55/514467655.db2.gz BQTUYVDGWJLHPA-UHFFFAOYSA-N -1 3 365.817 2.756 20 30 FFEDHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1cccc(C#N)c1C)c1ccccc1 ZINC000507949516 514621598 /nfs/dbraw/zinc/62/15/98/514621598.db2.gz NMCFRPWZLMCYMH-INIZCTEOSA-N -1 3 358.419 2.565 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc4nccnc4cc3F)n2)cc1 ZINC000470964792 514696143 /nfs/dbraw/zinc/69/61/43/514696143.db2.gz BTJFEGJKTAMMAJ-UHFFFAOYSA-N -1 3 373.351 2.533 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489269155 514776543 /nfs/dbraw/zinc/77/65/43/514776543.db2.gz XDCAUGMLWXTBJU-UHFFFAOYSA-N -1 3 359.366 2.922 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(C)o1 ZINC000479954841 514789294 /nfs/dbraw/zinc/78/92/94/514789294.db2.gz ZTQIHOKBIUSRBS-MRXNPFEDSA-N -1 3 366.414 2.796 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)c1C#N ZINC000475750271 514794758 /nfs/dbraw/zinc/79/47/58/514794758.db2.gz AJVRKLFTFMMLBX-UHFFFAOYSA-N -1 3 352.423 2.721 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480013663 514810653 /nfs/dbraw/zinc/81/06/53/514810653.db2.gz CACUROBJHXRAQV-UHFFFAOYSA-N -1 3 355.324 2.573 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480013663 514810661 /nfs/dbraw/zinc/81/06/61/514810661.db2.gz CACUROBJHXRAQV-UHFFFAOYSA-N -1 3 355.324 2.573 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480013663 514810666 /nfs/dbraw/zinc/81/06/66/514810666.db2.gz CACUROBJHXRAQV-UHFFFAOYSA-N -1 3 355.324 2.573 20 30 FFEDHM N#Cc1cnc2ccc(Cl)cc2c1NCc1nnc(C(F)(F)F)[n-]1 ZINC000480300712 514914046 /nfs/dbraw/zinc/91/40/46/514914046.db2.gz KKFBQTDLCUNDKD-UHFFFAOYSA-N -1 3 352.707 2.931 20 30 FFEDHM N#Cc1cnc2ccc(Cl)cc2c1NCc1n[n-]c(C(F)(F)F)n1 ZINC000480300712 514914056 /nfs/dbraw/zinc/91/40/56/514914056.db2.gz KKFBQTDLCUNDKD-UHFFFAOYSA-N -1 3 352.707 2.931 20 30 FFEDHM N#Cc1cnc2ccc(Cl)cc2c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000480300712 514914068 /nfs/dbraw/zinc/91/40/68/514914068.db2.gz KKFBQTDLCUNDKD-UHFFFAOYSA-N -1 3 352.707 2.931 20 30 FFEDHM C=C(C)CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000456116972 514961519 /nfs/dbraw/zinc/96/15/19/514961519.db2.gz FSQPEYBRSCBENO-UHFFFAOYSA-N -1 3 370.453 2.727 20 30 FFEDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000476423621 515044250 /nfs/dbraw/zinc/04/42/50/515044250.db2.gz CQXFVAQNIIDTQA-MRXNPFEDSA-N -1 3 364.854 2.786 20 30 FFEDHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481038500 515182082 /nfs/dbraw/zinc/18/20/82/515182082.db2.gz OEFBRXHFOLPHFB-KRWDZBQOSA-N -1 3 360.410 2.867 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000499076108 515189036 /nfs/dbraw/zinc/18/90/36/515189036.db2.gz JWHIBIHIFPXWEF-UHFFFAOYSA-N -1 3 350.403 2.776 20 30 FFEDHM N#Cc1ccc(Nc2cccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)c2)cc1 ZINC000476964934 515268129 /nfs/dbraw/zinc/26/81/29/515268129.db2.gz PQFBPCFHQQHCAL-UHFFFAOYSA-N -1 3 371.400 2.996 20 30 FFEDHM CCc1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)ccc1[O-] ZINC000486039099 515309496 /nfs/dbraw/zinc/30/94/96/515309496.db2.gz QQSFAKYLSXBAGN-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM N[C@@](C(=O)[N-]CC(F)F)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000499534610 515360348 /nfs/dbraw/zinc/36/03/48/515360348.db2.gz YDNSFMWGHQWMEA-SNVBAGLBSA-N -1 3 350.209 2.803 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1ccc(C)c(C)c1 ZINC000468901191 515572077 /nfs/dbraw/zinc/57/20/77/515572077.db2.gz JOVVEFVIMYGANC-GOSISDBHSA-N -1 3 372.446 2.676 20 30 FFEDHM Cc1cc(=NC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)[nH]n1CCC#N ZINC000459479032 515580769 /nfs/dbraw/zinc/58/07/69/515580769.db2.gz JDOVJRXLBVZRQC-UHFFFAOYSA-N -1 3 363.425 2.600 20 30 FFEDHM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccn2)C1 ZINC000478075842 515692340 /nfs/dbraw/zinc/69/23/40/515692340.db2.gz AQRJRDMJOLMSHM-GDBMZVCRSA-N -1 3 364.453 2.736 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000473855336 515778115 /nfs/dbraw/zinc/77/81/15/515778115.db2.gz IYPAOPITFYDFPX-KRWDZBQOSA-N -1 3 354.410 2.743 20 30 FFEDHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500961751 515917598 /nfs/dbraw/zinc/91/75/98/515917598.db2.gz BQWLKQQCAWIITF-QGZVFWFLSA-N -1 3 360.410 2.867 20 30 FFEDHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000478762254 515954663 /nfs/dbraw/zinc/95/46/63/515954663.db2.gz GMTKLQQWVUQQTE-MRXNPFEDSA-N -1 3 372.874 2.858 20 30 FFEDHM CN(C)C(=O)COc1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483206251 515984374 /nfs/dbraw/zinc/98/43/74/515984374.db2.gz TXQTYFJGOFBCJU-HNNXBMFYSA-N -1 3 374.400 2.587 20 30 FFEDHM CCOC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000474369149 516014819 /nfs/dbraw/zinc/01/48/19/516014819.db2.gz HSPOAHNXSWBTAX-ZDUSSCGKSA-N -1 3 364.389 2.916 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000511733692 516016047 /nfs/dbraw/zinc/01/60/47/516016047.db2.gz IRGXAGYZRMWJDA-WBMJQRKESA-N -1 3 354.244 2.795 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CO)c(Cl)c1 ZINC000474611750 516120461 /nfs/dbraw/zinc/12/04/61/516120461.db2.gz LXCNZOHBBCJRLS-UHFFFAOYSA-N -1 3 359.813 2.993 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000501581941 516161408 /nfs/dbraw/zinc/16/14/08/516161408.db2.gz QXCJRLMRGVRCPI-HUUCEWRRSA-N -1 3 367.396 2.875 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)c(F)c1 ZINC000523567189 516506651 /nfs/dbraw/zinc/50/66/51/516506651.db2.gz SOPUAZSVIBMSRP-UHFFFAOYSA-N -1 3 355.394 2.767 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c(F)c1 ZINC000531631204 516564298 /nfs/dbraw/zinc/56/42/98/516564298.db2.gz XXZURNUUSDVJEI-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000540486823 516578647 /nfs/dbraw/zinc/57/86/47/516578647.db2.gz VQJMUKDAYQISKJ-SJORKVTESA-N -1 3 360.410 2.930 20 30 FFEDHM C=CCCC1(c2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)CC1 ZINC000558269652 516673408 /nfs/dbraw/zinc/67/34/08/516673408.db2.gz DJMBKMHSLSDSDR-SFHVURJKSA-N -1 3 352.394 2.789 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)nc2ccccc12 ZINC000548119673 516775673 /nfs/dbraw/zinc/77/56/73/516775673.db2.gz DBZLGDHCZRKRFV-UHFFFAOYSA-N -1 3 358.467 2.832 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)C(C)C)c1 ZINC000544521829 516795372 /nfs/dbraw/zinc/79/53/72/516795372.db2.gz YHQCCAIMPMFLSW-UHFFFAOYSA-N -1 3 356.382 2.705 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C3CC3)c2)cc1Cl ZINC000528921116 516796193 /nfs/dbraw/zinc/79/61/93/516796193.db2.gz SYQBENHJYCADLY-ZDUSSCGKSA-N -1 3 358.785 2.841 20 30 FFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C12CCCC2 ZINC000525180563 516947824 /nfs/dbraw/zinc/94/78/24/516947824.db2.gz DOQIJTFYUDBREO-JKSUJKDBSA-N -1 3 352.431 2.713 20 30 FFEDHM COc1ccc(-c2nc([N-]C(=O)c3cscc3C#N)n[nH]2)c(OC)c1 ZINC000555657629 517049375 /nfs/dbraw/zinc/04/93/75/517049375.db2.gz POMOVZTUHUGICP-UHFFFAOYSA-N -1 3 355.379 2.674 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000519582441 517059208 /nfs/dbraw/zinc/05/92/08/517059208.db2.gz ZVFONXFMJBZGDV-PWSUYJOCSA-N -1 3 356.494 2.802 20 30 FFEDHM CC(C#N)C(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000532830398 517162983 /nfs/dbraw/zinc/16/29/83/517162983.db2.gz NICUEALFZJQNKC-NEPJUHHUSA-N -1 3 363.464 2.886 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCc1cccs1 ZINC000555949678 517201089 /nfs/dbraw/zinc/20/10/89/517201089.db2.gz WVFALYDZDQAJPP-UHFFFAOYSA-N -1 3 371.281 2.903 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cc(C)ccn3)no2)ccc1F ZINC000545583686 517302364 /nfs/dbraw/zinc/30/23/64/517302364.db2.gz ZPIYXIKCPLDROH-UHFFFAOYSA-N -1 3 374.397 2.710 20 30 FFEDHM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000556176608 517302665 /nfs/dbraw/zinc/30/26/65/517302665.db2.gz AXTXYVHFIXVJIQ-QFIPXVFZSA-N -1 3 368.867 2.891 20 30 FFEDHM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000526940640 517398183 /nfs/dbraw/zinc/39/81/83/517398183.db2.gz SLXCQQWTSYYXMO-AWEZNQCLSA-N -1 3 362.842 2.525 20 30 FFEDHM C=CCN1CCC(NC(=O)N=c2[n-]nc(Cc3ccc(C)cc3)s2)CC1 ZINC000520856946 517534841 /nfs/dbraw/zinc/53/48/41/517534841.db2.gz YHAGCNGSJSGLSC-UHFFFAOYSA-N -1 3 371.510 2.631 20 30 FFEDHM N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3ccc([O-])cc3Cl)C2)nc1 ZINC000553243958 517598998 /nfs/dbraw/zinc/59/89/98/517598998.db2.gz GAZODCWOJQPCOG-HNNXBMFYSA-N -1 3 357.797 2.535 20 30 FFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000563432331 517902158 /nfs/dbraw/zinc/90/21/58/517902158.db2.gz SDQGXVAOHZKEMT-MRVPVSSYSA-N -1 3 352.225 2.840 20 30 FFEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)C(F)F)nc1)c1ccncn1 ZINC000546859375 517891535 /nfs/dbraw/zinc/89/15/35/517891535.db2.gz NCKGDKVOGAPWFW-JTQLQIEISA-N -1 3 354.263 2.641 20 30 FFEDHM C[C@@]1(c2ccc(CNc3ccc(C#N)c(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000521931299 517905329 /nfs/dbraw/zinc/90/53/29/517905329.db2.gz ZYFFYJVDHGQKSN-SFHVURJKSA-N -1 3 354.797 2.878 20 30 FFEDHM CN1CCC(C#N)(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000539842518 518170967 /nfs/dbraw/zinc/17/09/67/518170967.db2.gz HTSBZSARFXLUHN-UHFFFAOYSA-N -1 3 363.461 2.895 20 30 FFEDHM Cc1c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)nnn1-c1cnn(C)c1 ZINC000572580463 518257221 /nfs/dbraw/zinc/25/72/21/518257221.db2.gz DJOCUKBNHQOSFM-UHFFFAOYSA-N -1 3 369.454 2.792 20 30 FFEDHM Cc1c([N-]S(=O)(=O)CCOCC2CC2)ccc(Br)c1C#N ZINC000566967728 518288245 /nfs/dbraw/zinc/28/82/45/518288245.db2.gz KUPZNWYGHFVJHV-UHFFFAOYSA-N -1 3 373.272 2.798 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1CC1CCC1 ZINC000576187507 518470353 /nfs/dbraw/zinc/47/03/53/518470353.db2.gz VAJGOAQNCVMBBX-INIZCTEOSA-N -1 3 357.454 2.626 20 30 FFEDHM CC#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000570544665 518659790 /nfs/dbraw/zinc/65/97/90/518659790.db2.gz ZGMZLZADHCKCFD-UHFFFAOYSA-N -1 3 360.410 2.722 20 30 FFEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2nccn21 ZINC000570594582 518685043 /nfs/dbraw/zinc/68/50/43/518685043.db2.gz OSCFKZHDSJVXES-JOYOIKCWSA-N -1 3 370.356 2.758 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000564971924 518721718 /nfs/dbraw/zinc/72/17/18/518721718.db2.gz DJZLVYNCLFKBSS-UONOGXRCSA-N -1 3 362.373 2.614 20 30 FFEDHM COC(=O)c1cc(Cl)cc(NC(=O)COc2ccc(C#N)cc2)c1[O-] ZINC000588095081 518722032 /nfs/dbraw/zinc/72/20/32/518722032.db2.gz APKRFWKFEPVEIF-UHFFFAOYSA-N -1 3 360.753 2.721 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)c(F)c1 ZINC000568143123 518892559 /nfs/dbraw/zinc/89/25/59/518892559.db2.gz DASSRCKZYQSQLK-WBVHZDCISA-N -1 3 360.410 2.896 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000574093709 518983575 /nfs/dbraw/zinc/98/35/75/518983575.db2.gz SEVHZMOUGCKKHM-UHFFFAOYSA-N -1 3 354.291 2.690 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000571350991 519051764 /nfs/dbraw/zinc/05/17/64/519051764.db2.gz FOCANRIBOZHASE-APPDUMDISA-N -1 3 366.389 2.891 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000574560909 519217435 /nfs/dbraw/zinc/21/74/35/519217435.db2.gz VDVRWQFXXGXJSN-AWEZNQCLSA-N -1 3 369.368 2.653 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1cccs1 ZINC000571722576 519237932 /nfs/dbraw/zinc/23/79/32/519237932.db2.gz IVFWAJUBWGJBJQ-HNNXBMFYSA-N -1 3 368.455 2.797 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000571757713 519260242 /nfs/dbraw/zinc/26/02/42/519260242.db2.gz FFKACVURCGKPRB-UHFFFAOYSA-N -1 3 363.664 2.826 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1cccc(F)c1Cn1cccc(C)c1=O ZINC000572155269 519471919 /nfs/dbraw/zinc/47/19/19/519471919.db2.gz HQAYTBMIQPBQJF-UHFFFAOYSA-N -1 3 350.415 2.662 20 30 FFEDHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1)OC ZINC000591490474 519930493 /nfs/dbraw/zinc/93/04/93/519930493.db2.gz YFXHWSCWXKRVMS-HNNXBMFYSA-N -1 3 361.423 2.912 20 30 FFEDHM CCC(C)(C)N1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000594389796 519934563 /nfs/dbraw/zinc/93/45/63/519934563.db2.gz NPBWTTDIHVXXLG-UHFFFAOYSA-N -1 3 358.486 2.541 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594474660 519984156 /nfs/dbraw/zinc/98/41/56/519984156.db2.gz QIFRXCGAEJJVHV-GOEBONIOSA-N -1 3 354.859 2.838 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594486451 519997073 /nfs/dbraw/zinc/99/70/73/519997073.db2.gz GBMCGEZNTIBPIO-OCCSQVGLSA-N -1 3 362.373 2.645 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000600189407 520110967 /nfs/dbraw/zinc/11/09/67/520110967.db2.gz PRRQPBSNJCVVGJ-GHMZBOCLSA-N -1 3 351.397 2.958 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C)C1 ZINC000594766518 520144678 /nfs/dbraw/zinc/14/46/78/520144678.db2.gz CZXGDYYICSCHOA-GWCFXTLKSA-N -1 3 350.465 2.927 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000594779945 520154084 /nfs/dbraw/zinc/15/40/84/520154084.db2.gz YLGDJLFGRZTWSH-UHFFFAOYSA-N -1 3 368.455 2.878 20 30 FFEDHM COC(=O)c1sccc1S(=O)(=O)[N-]C(C)(C)c1cccc(C#N)c1 ZINC000594813131 520169912 /nfs/dbraw/zinc/16/99/12/520169912.db2.gz MCTPPTZLINBUPY-UHFFFAOYSA-N -1 3 364.448 2.620 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCC(C)(C)C#N)cs2)c1 ZINC000612835215 520174565 /nfs/dbraw/zinc/17/45/65/520174565.db2.gz UWAOJKKOQAFHIN-UHFFFAOYSA-N -1 3 372.450 2.618 20 30 FFEDHM CCNC(=O)N1CCC(N(CC(=O)[O-])Cc2ccc(F)cc2Cl)CC1 ZINC000328604338 520204638 /nfs/dbraw/zinc/20/46/38/520204638.db2.gz JKISEVDSTFBLPL-UHFFFAOYSA-N -1 3 371.840 2.764 20 30 FFEDHM CSc1nc(C2CC2)cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1C#N ZINC000597844614 520275141 /nfs/dbraw/zinc/27/51/41/520275141.db2.gz ZHSMTQLCKNQVQI-HNNXBMFYSA-N -1 3 369.450 2.801 20 30 FFEDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000595352373 520423139 /nfs/dbraw/zinc/42/31/39/520423139.db2.gz DIRLENJCPCILMP-QZTJIDSGSA-N -1 3 362.426 2.734 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCC(F)CC1 ZINC000595357659 520428022 /nfs/dbraw/zinc/42/80/22/520428022.db2.gz BTMTZGIUVJPEKR-VOMCLLRMSA-N -1 3 355.391 2.662 20 30 FFEDHM N#Cc1ccccc1COc1cccc(CN[C@H](C(=O)[O-])[C@H]2CCCO2)c1 ZINC000600943222 520551697 /nfs/dbraw/zinc/55/16/97/520551697.db2.gz VANHVDUMVPCJQN-UXHICEINSA-N -1 3 366.417 2.859 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000598363837 520574501 /nfs/dbraw/zinc/57/45/01/520574501.db2.gz HKVRLATWNVZRDZ-UHFFFAOYSA-N -1 3 369.465 2.626 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000610267099 520613151 /nfs/dbraw/zinc/61/31/51/520613151.db2.gz HJJRCIRVOHHTMY-NSHDSACASA-N -1 3 352.362 2.582 20 30 FFEDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)n1 ZINC000601442420 520787541 /nfs/dbraw/zinc/78/75/41/520787541.db2.gz BRBFWBOZWOJNJX-SNVBAGLBSA-N -1 3 353.444 2.897 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OCCO ZINC000593211609 520832420 /nfs/dbraw/zinc/83/24/20/520832420.db2.gz XYEFSTQQXGNLIG-UHFFFAOYSA-N -1 3 374.462 2.968 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000614298048 520896825 /nfs/dbraw/zinc/89/68/25/520896825.db2.gz KAUYUDVHMKIEOR-AWEZNQCLSA-N -1 3 355.463 2.967 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000601886750 521007518 /nfs/dbraw/zinc/00/75/18/521007518.db2.gz QAGUKQXEJNRTQY-MJGOQNOKSA-N -1 3 357.454 2.672 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)OCCO2 ZINC000593534660 521057223 /nfs/dbraw/zinc/05/72/23/521057223.db2.gz OLBADHZUJSEHCI-LBPRGKRZSA-N -1 3 364.448 2.821 20 30 FFEDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593538051 521061611 /nfs/dbraw/zinc/06/16/11/521061611.db2.gz LIRILCTZCPIILK-UHFFFAOYSA-N -1 3 350.465 2.884 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000593596520 521098925 /nfs/dbraw/zinc/09/89/25/521098925.db2.gz CYYIAJSBJIQOPM-LBPRGKRZSA-N -1 3 365.455 2.564 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000618606433 521141764 /nfs/dbraw/zinc/14/17/64/521141764.db2.gz BDBXYMFAOQMOJG-GFCCVEGCSA-N -1 3 350.362 2.943 20 30 FFEDHM COc1ccc([O-])c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1 ZINC000602186585 521196909 /nfs/dbraw/zinc/19/69/09/521196909.db2.gz PGLTVZDDHDHKTR-UHFFFAOYSA-N -1 3 351.406 2.989 20 30 FFEDHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000611539139 521208571 /nfs/dbraw/zinc/20/85/71/521208571.db2.gz GOVKARPRGDBFPY-UHFFFAOYSA-N -1 3 365.842 2.711 20 30 FFEDHM CCOc1cc(CN2CCN(CCC#N)CC2)cc(Br)c1[O-] ZINC000602747583 521514854 /nfs/dbraw/zinc/51/48/54/521514854.db2.gz CDOCNORPUMWYFS-UHFFFAOYSA-N -1 3 368.275 2.585 20 30 FFEDHM CC[C@@]([N-]S(=O)(=O)c1cccc(CC#N)c1)(C(=O)OC)c1ccccc1 ZINC000619482559 521591393 /nfs/dbraw/zinc/59/13/93/521591393.db2.gz QDRQESNGLFOLOR-IBGZPJMESA-N -1 3 372.446 2.509 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000619753066 521854665 /nfs/dbraw/zinc/85/46/65/521854665.db2.gz KIAIDNKFUKUQND-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CCC(F)(F)CNC(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000627849416 523157514 /nfs/dbraw/zinc/15/75/14/523157514.db2.gz HTQDVJIYNFAJBR-SNVBAGLBSA-N -1 3 374.256 2.846 20 30 FFEDHM CCN(CC)CCOc1ccc(C(=O)N=c2[n-]n(C)c(C)c2C#N)cc1 ZINC000602349985 553567812 /nfs/dbraw/zinc/56/78/12/553567812.db2.gz XIQVOUPSYBNPTE-UHFFFAOYSA-N -1 3 355.442 2.573 20 30 FFEDHM N#Cc1cc(NC(=O)CSc2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737710413 598920359 /nfs/dbraw/zinc/92/03/59/598920359.db2.gz XTNIELLNIKUBKD-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1cc(NC(=O)CSc2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737710413 598920361 /nfs/dbraw/zinc/92/03/61/598920361.db2.gz XTNIELLNIKUBKD-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736184189 598921058 /nfs/dbraw/zinc/92/10/58/598921058.db2.gz WMLXONWEEGKZLV-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736184189 598921059 /nfs/dbraw/zinc/92/10/59/598921059.db2.gz WMLXONWEEGKZLV-SNVBAGLBSA-N -1 3 368.784 2.798 20 30 FFEDHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737141640 598926092 /nfs/dbraw/zinc/92/60/92/598926092.db2.gz JAJMSQSPIWFUTF-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737141640 598926093 /nfs/dbraw/zinc/92/60/93/598926093.db2.gz JAJMSQSPIWFUTF-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM Cc1ccc(-c2n[nH]cc2C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822214289 607254679 /nfs/dbraw/zinc/25/46/79/607254679.db2.gz YMFMLONFKYHVFR-UHFFFAOYSA-N -1 3 358.409 2.689 20 30 FFEDHM Cc1ccc(-c2n[nH]cc2C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822214289 607254680 /nfs/dbraw/zinc/25/46/80/607254680.db2.gz YMFMLONFKYHVFR-UHFFFAOYSA-N -1 3 358.409 2.689 20 30 FFEDHM N#CCCCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737688407 598964507 /nfs/dbraw/zinc/96/45/07/598964507.db2.gz TWCBUFYVHSRXFN-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM N#CCCCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737688407 598964508 /nfs/dbraw/zinc/96/45/08/598964508.db2.gz TWCBUFYVHSRXFN-UHFFFAOYSA-N -1 3 363.377 2.906 20 30 FFEDHM Cc1cccc2c1ncc(C#N)c2NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822335293 599073804 /nfs/dbraw/zinc/07/38/04/599073804.db2.gz JQKILMUTKGSUIP-UHFFFAOYSA-N -1 3 359.368 2.768 20 30 FFEDHM Cc1cccc2c1ncc(C#N)c2NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822335293 599073807 /nfs/dbraw/zinc/07/38/07/599073807.db2.gz JQKILMUTKGSUIP-UHFFFAOYSA-N -1 3 359.368 2.768 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000735636135 599125395 /nfs/dbraw/zinc/12/53/95/599125395.db2.gz PVJDBWVMIZWRIW-CYBMUJFWSA-N -1 3 371.445 2.959 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000735636135 599125399 /nfs/dbraw/zinc/12/53/99/599125399.db2.gz PVJDBWVMIZWRIW-CYBMUJFWSA-N -1 3 371.445 2.959 20 30 FFEDHM COc1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1-c1nn[n-]n1 ZINC000737082274 599129335 /nfs/dbraw/zinc/12/93/35/599129335.db2.gz GSUUIISBXMIINB-UHFFFAOYSA-N -1 3 363.303 2.735 20 30 FFEDHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736059848 599195068 /nfs/dbraw/zinc/19/50/68/599195068.db2.gz WQQIQBWLAHYSRE-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736059848 599195071 /nfs/dbraw/zinc/19/50/71/599195071.db2.gz WQQIQBWLAHYSRE-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM N#Cc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716360 599196463 /nfs/dbraw/zinc/19/64/63/599196463.db2.gz PZHCJTDHMYDIDO-GFCCVEGCSA-N -1 3 360.377 2.633 20 30 FFEDHM N#Cc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716360 599196466 /nfs/dbraw/zinc/19/64/66/599196466.db2.gz PZHCJTDHMYDIDO-GFCCVEGCSA-N -1 3 360.377 2.633 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1-c1nnn[n-]1 ZINC000737706756 599197693 /nfs/dbraw/zinc/19/76/93/599197693.db2.gz YUZKKEGTGOIXIX-UONOGXRCSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1-c1nn[n-]n1 ZINC000737706756 599197694 /nfs/dbraw/zinc/19/76/94/599197694.db2.gz YUZKKEGTGOIXIX-UONOGXRCSA-N -1 3 366.331 2.759 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736244547 599201912 /nfs/dbraw/zinc/20/19/12/599201912.db2.gz JYFKZDKYOYAAIP-FZKQIMNGSA-N -1 3 370.482 2.689 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736244547 599201915 /nfs/dbraw/zinc/20/19/15/599201915.db2.gz JYFKZDKYOYAAIP-FZKQIMNGSA-N -1 3 370.482 2.689 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735409378 599203409 /nfs/dbraw/zinc/20/34/09/599203409.db2.gz DNZVXBGGUWZAHY-LBPRGKRZSA-N -1 3 353.382 2.733 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735409378 599203411 /nfs/dbraw/zinc/20/34/11/599203411.db2.gz DNZVXBGGUWZAHY-LBPRGKRZSA-N -1 3 353.382 2.733 20 30 FFEDHM Cc1noc(C)c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737535979 598315016 /nfs/dbraw/zinc/31/50/16/598315016.db2.gz CIYDZNBYKLYDHQ-UHFFFAOYSA-N -1 3 351.292 2.936 20 30 FFEDHM Cc1noc(C)c1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737535979 598315019 /nfs/dbraw/zinc/31/50/19/598315019.db2.gz CIYDZNBYKLYDHQ-UHFFFAOYSA-N -1 3 351.292 2.936 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000737797923 598585653 /nfs/dbraw/zinc/58/56/53/598585653.db2.gz SNCZSBVDXKQVSQ-CLTKARDFSA-N -1 3 361.283 2.882 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000737797923 598585654 /nfs/dbraw/zinc/58/56/54/598585654.db2.gz SNCZSBVDXKQVSQ-CLTKARDFSA-N -1 3 361.283 2.882 20 30 FFEDHM C#Cc1ccc(C(=O)Oc2c(Cl)cc(-c3nnn[n-]3)cc2OCC)cn1 ZINC000735389656 598734521 /nfs/dbraw/zinc/73/45/21/598734521.db2.gz FGHAZLCEUFXLQA-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM C#Cc1ccc(C(=O)Oc2c(Cl)cc(-c3nn[n-]n3)cc2OCC)cn1 ZINC000735389656 598734524 /nfs/dbraw/zinc/73/45/24/598734524.db2.gz FGHAZLCEUFXLQA-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM N#Cc1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000737719395 598816167 /nfs/dbraw/zinc/81/61/67/598816167.db2.gz TZCOPFJHGWVVAN-UHFFFAOYSA-N -1 3 361.365 2.816 20 30 FFEDHM N#Cc1ccc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000737719395 598816168 /nfs/dbraw/zinc/81/61/68/598816168.db2.gz TZCOPFJHGWVVAN-UHFFFAOYSA-N -1 3 361.365 2.816 20 30 FFEDHM N#CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000822806501 599295835 /nfs/dbraw/zinc/29/58/35/599295835.db2.gz OXBCJXQDBMQNFD-UHFFFAOYSA-N -1 3 365.319 2.653 20 30 FFEDHM N#CC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000822806501 599295836 /nfs/dbraw/zinc/29/58/36/599295836.db2.gz OXBCJXQDBMQNFD-UHFFFAOYSA-N -1 3 365.319 2.653 20 30 FFEDHM C#CCOc1cc(F)ccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735381751 599329849 /nfs/dbraw/zinc/32/98/49/599329849.db2.gz ZGMOERPMPLGGQF-UHFFFAOYSA-N -1 3 353.357 2.509 20 30 FFEDHM C#CCOc1cc(F)ccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735381751 599329852 /nfs/dbraw/zinc/32/98/52/599329852.db2.gz ZGMOERPMPLGGQF-UHFFFAOYSA-N -1 3 353.357 2.509 20 30 FFEDHM c1ccc2nc(N=NC3CCCc4cc(-c5nnn[n-]5)ccc43)cnc2c1 ZINC000823802414 599341270 /nfs/dbraw/zinc/34/12/70/599341270.db2.gz MUMNNAKYWTZJOZ-UHFFFAOYSA-N -1 3 356.393 2.962 20 30 FFEDHM c1ccc2nc(N=NC3CCCc4cc(-c5nn[n-]n5)ccc43)cnc2c1 ZINC000823802414 599341273 /nfs/dbraw/zinc/34/12/73/599341273.db2.gz MUMNNAKYWTZJOZ-UHFFFAOYSA-N -1 3 356.393 2.962 20 30 FFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819759526 599371105 /nfs/dbraw/zinc/37/11/05/599371105.db2.gz YSSIENCPFBLVRM-UHFFFAOYSA-N -1 3 372.406 2.508 20 30 FFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819759526 599371108 /nfs/dbraw/zinc/37/11/08/599371108.db2.gz YSSIENCPFBLVRM-UHFFFAOYSA-N -1 3 372.406 2.508 20 30 FFEDHM C(=NOCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccs1 ZINC000819718781 599381305 /nfs/dbraw/zinc/38/13/05/599381305.db2.gz PVBTYEZKVDZLCC-UHFFFAOYSA-N -1 3 353.367 2.529 20 30 FFEDHM C(=NOCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccs1 ZINC000819718781 599381307 /nfs/dbraw/zinc/38/13/07/599381307.db2.gz PVBTYEZKVDZLCC-UHFFFAOYSA-N -1 3 353.367 2.529 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000819743158 599679323 /nfs/dbraw/zinc/67/93/23/599679323.db2.gz DKLIPQQFNRGXFS-CVEARBPZSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000819743158 599679324 /nfs/dbraw/zinc/67/93/24/599679324.db2.gz DKLIPQQFNRGXFS-CVEARBPZSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC000736106653 600113218 /nfs/dbraw/zinc/11/32/18/600113218.db2.gz GPEJPTLFYDGHIK-UHFFFAOYSA-N -1 3 361.442 2.944 20 30 FFEDHM CC(C)(C)OC(=O)NC1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736282157 600564675 /nfs/dbraw/zinc/56/46/75/600564675.db2.gz RTZUPANJXASUAQ-MRXNPFEDSA-N -1 3 359.426 2.673 20 30 FFEDHM CCN(CC)C(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737084638 600593524 /nfs/dbraw/zinc/59/35/24/600593524.db2.gz JQUPWERBUOFRJA-LJQANCHMSA-N -1 3 365.433 2.956 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000832877707 601530687 /nfs/dbraw/zinc/53/06/87/601530687.db2.gz XAYQLCSLUJCMSE-RYRKJORJSA-N -1 3 357.454 2.591 20 30 FFEDHM C=CCNc1nnc(SCc2ccc(OC)c(-c3nnn[n-]3)c2)s1 ZINC000823925212 607539682 /nfs/dbraw/zinc/53/96/82/607539682.db2.gz FWEXLCURHBXYRY-UHFFFAOYSA-N -1 3 361.456 2.617 20 30 FFEDHM C=CCNc1nnc(SCc2ccc(OC)c(-c3nn[n-]n3)c2)s1 ZINC000823925212 607539683 /nfs/dbraw/zinc/53/96/83/607539683.db2.gz FWEXLCURHBXYRY-UHFFFAOYSA-N -1 3 361.456 2.617 20 30 FFEDHM COc1ccc(CNc2ccc(F)cc2OCC#N)cc1-c1nnn[n-]1 ZINC000826203706 607551353 /nfs/dbraw/zinc/55/13/53/607551353.db2.gz CHSWACWJIZUESE-UHFFFAOYSA-N -1 3 354.345 2.529 20 30 FFEDHM COc1ccc(CNc2ccc(F)cc2OCC#N)cc1-c1nn[n-]n1 ZINC000826203706 607551355 /nfs/dbraw/zinc/55/13/55/607551355.db2.gz CHSWACWJIZUESE-UHFFFAOYSA-N -1 3 354.345 2.529 20 30 FFEDHM C#CCN1CCC(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)CC1 ZINC000738462161 602358461 /nfs/dbraw/zinc/35/84/61/602358461.db2.gz WZPUUFKXUSOOSD-LJQANCHMSA-N -1 3 371.481 2.580 20 30 FFEDHM CN(C[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1)C(=O)[O-] ZINC000828218263 603579308 /nfs/dbraw/zinc/57/93/08/603579308.db2.gz IGYDSRHMSBZMLK-OLZOCXBDSA-N -1 3 372.450 2.547 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000831066799 604220249 /nfs/dbraw/zinc/22/02/49/604220249.db2.gz YZJCGLWEWNBHPR-HONMWMINSA-N -1 3 363.801 2.814 20 30 FFEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000833417144 604942223 /nfs/dbraw/zinc/94/22/23/604942223.db2.gz MXDMUGYRTYPFBW-MRXNPFEDSA-N -1 3 357.454 2.756 20 30 FFEDHM N#Cc1cc(NC(=O)C2CC(OCc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000822823274 606149836 /nfs/dbraw/zinc/14/98/36/606149836.db2.gz OITAMJBEEFEUOW-UHFFFAOYSA-N -1 3 374.404 2.672 20 30 FFEDHM N#Cc1cc(NC(=O)C2CC(OCc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000822823274 606149837 /nfs/dbraw/zinc/14/98/37/606149837.db2.gz OITAMJBEEFEUOW-UHFFFAOYSA-N -1 3 374.404 2.672 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccn2)c1C ZINC000819773126 606237687 /nfs/dbraw/zinc/23/76/87/606237687.db2.gz OOCARWIHYCVQQR-UHFFFAOYSA-N -1 3 359.397 2.592 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820534698 606344825 /nfs/dbraw/zinc/34/48/25/606344825.db2.gz NEGHAFZEBNGRRO-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820534698 606344826 /nfs/dbraw/zinc/34/48/26/606344826.db2.gz NEGHAFZEBNGRRO-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015230 606390429 /nfs/dbraw/zinc/39/04/29/606390429.db2.gz FYXUFSYVVMHBLJ-SREVYHEPSA-N -1 3 350.407 2.752 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015230 606390431 /nfs/dbraw/zinc/39/04/31/606390431.db2.gz FYXUFSYVVMHBLJ-SREVYHEPSA-N -1 3 350.407 2.752 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821694019 606390529 /nfs/dbraw/zinc/39/05/29/606390529.db2.gz ZJNGDZPCZLNEDI-ALCCZGGFSA-N -1 3 374.397 2.989 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1NC(C)=O ZINC000821770029 606390597 /nfs/dbraw/zinc/39/05/97/606390597.db2.gz NPOIISSPDSZNKL-XQRVVYSFSA-N -1 3 369.406 2.791 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530321 606391497 /nfs/dbraw/zinc/39/14/97/606391497.db2.gz JDXNLDURBOIFTE-UTCJRWHESA-N -1 3 351.391 2.709 20 30 FFEDHM COc1ccc2c(c1)OC(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)C2=O ZINC000821849432 606429464 /nfs/dbraw/zinc/42/94/64/606429464.db2.gz IIEUYPDCFFNIOD-PXNMLYILSA-N -1 3 350.334 2.500 20 30 FFEDHM COc1ccc2c(c1)OC(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)C2=O ZINC000821849432 606429466 /nfs/dbraw/zinc/42/94/66/606429466.db2.gz IIEUYPDCFFNIOD-PXNMLYILSA-N -1 3 350.334 2.500 20 30 FFEDHM C#CCN(CC#C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819697858 606459161 /nfs/dbraw/zinc/45/91/61/606459161.db2.gz MLUBTKKQMCJQQP-UHFFFAOYSA-N -1 3 373.441 2.727 20 30 FFEDHM C#CCN(CC#C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819697858 606459162 /nfs/dbraw/zinc/45/91/62/606459162.db2.gz MLUBTKKQMCJQQP-UHFFFAOYSA-N -1 3 373.441 2.727 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745564 606528616 /nfs/dbraw/zinc/52/86/16/606528616.db2.gz KCLCXAWOJFFSIC-UHFFFAOYSA-N -1 3 351.385 2.763 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745564 606528618 /nfs/dbraw/zinc/52/86/18/606528618.db2.gz KCLCXAWOJFFSIC-UHFFFAOYSA-N -1 3 351.385 2.763 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820841988 606613680 /nfs/dbraw/zinc/61/36/80/606613680.db2.gz HXYXVFBWHAYCSC-INIZCTEOSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820841988 606613681 /nfs/dbraw/zinc/61/36/81/606613681.db2.gz HXYXVFBWHAYCSC-INIZCTEOSA-N -1 3 363.377 2.905 20 30 FFEDHM Cc1nn(-c2ccccc2)c(CN(CCC#N)CC(C)C)c1-c1nnn[n-]1 ZINC000822486303 606694345 /nfs/dbraw/zinc/69/43/45/606694345.db2.gz FSFMLCZUKZTADR-UHFFFAOYSA-N -1 3 364.457 2.733 20 30 FFEDHM Cc1nn(-c2ccccc2)c(CN(CCC#N)CC(C)C)c1-c1nn[n-]n1 ZINC000822486303 606694346 /nfs/dbraw/zinc/69/43/46/606694346.db2.gz FSFMLCZUKZTADR-UHFFFAOYSA-N -1 3 364.457 2.733 20 30 FFEDHM N#CCc1cccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822814155 606947237 /nfs/dbraw/zinc/94/72/37/606947237.db2.gz BTWKPGVAKQHLHA-UHFFFAOYSA-N -1 3 363.377 2.559 20 30 FFEDHM N#CCc1cccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822814155 606947239 /nfs/dbraw/zinc/94/72/39/606947239.db2.gz BTWKPGVAKQHLHA-UHFFFAOYSA-N -1 3 363.377 2.559 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000819759254 606993287 /nfs/dbraw/zinc/99/32/87/606993287.db2.gz QVQCWHXFIWKDAM-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000819759254 606993289 /nfs/dbraw/zinc/99/32/89/606993289.db2.gz QVQCWHXFIWKDAM-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819733978 607004611 /nfs/dbraw/zinc/00/46/11/607004611.db2.gz GLQVHBUSIQRPIN-LBPRGKRZSA-N -1 3 355.398 2.505 20 30 FFEDHM C=CCC(CC=C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819733978 607004612 /nfs/dbraw/zinc/00/46/12/607004612.db2.gz GLQVHBUSIQRPIN-LBPRGKRZSA-N -1 3 355.398 2.505 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1ccc(C#N)cc1Cl ZINC000822223603 607123078 /nfs/dbraw/zinc/12/30/78/607123078.db2.gz CWEBNQLDFSWTNU-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM COc1cc(F)c(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821719560 607147020 /nfs/dbraw/zinc/14/70/20/607147020.db2.gz FNAMKNPSEBIYFU-UHFFFAOYSA-N -1 3 356.361 2.859 20 30 FFEDHM COc1cc(F)c(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821719560 607147021 /nfs/dbraw/zinc/14/70/21/607147021.db2.gz FNAMKNPSEBIYFU-UHFFFAOYSA-N -1 3 356.361 2.859 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(F)cccc1OC ZINC000819745917 607237662 /nfs/dbraw/zinc/23/76/62/607237662.db2.gz UUBIFLXIHSPRAP-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(F)cccc1OC ZINC000819745917 607237663 /nfs/dbraw/zinc/23/76/63/607237663.db2.gz UUBIFLXIHSPRAP-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000823937202 607871592 /nfs/dbraw/zinc/87/15/92/607871592.db2.gz MGCQEKFOMCTGQL-INIZCTEOSA-N -1 3 352.394 2.716 20 30 FFEDHM C=CCc1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000823937202 607871593 /nfs/dbraw/zinc/87/15/93/607871593.db2.gz MGCQEKFOMCTGQL-INIZCTEOSA-N -1 3 352.394 2.716 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC)OCC ZINC000823873984 607904125 /nfs/dbraw/zinc/90/41/25/607904125.db2.gz QTRGFEOBJRFLDZ-INIZCTEOSA-N -1 3 358.446 2.998 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000824323918 607977970 /nfs/dbraw/zinc/97/79/70/607977970.db2.gz DBALNODUSODJPZ-UHFFFAOYSA-N -1 3 362.393 2.972 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000824323918 607977971 /nfs/dbraw/zinc/97/79/71/607977971.db2.gz DBALNODUSODJPZ-UHFFFAOYSA-N -1 3 362.393 2.972 20 30 FFEDHM C=C[C@H](CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883732 607985037 /nfs/dbraw/zinc/98/50/37/607985037.db2.gz ZDGRSDKCMOMIDE-OAHLLOKOSA-N -1 3 363.421 2.722 20 30 FFEDHM Cn1c(C=NNc2ccc(-c3nn[n-]n3)cc2)nc2ccc(Cl)cc21 ZINC000826354899 608110528 /nfs/dbraw/zinc/11/05/28/608110528.db2.gz AEVXWYDOXYKMAR-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM COCc1cnc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000826165218 608213349 /nfs/dbraw/zinc/21/33/49/608213349.db2.gz KSARIHVTXPJZCM-YRNVUSSQSA-N -1 3 353.407 2.682 20 30 FFEDHM COCc1cnc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000826165218 608213351 /nfs/dbraw/zinc/21/33/51/608213351.db2.gz KSARIHVTXPJZCM-YRNVUSSQSA-N -1 3 353.407 2.682 20 30 FFEDHM C#CCCCCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823839088 608307733 /nfs/dbraw/zinc/30/77/33/608307733.db2.gz ZKZAVWSYDZFABR-UHFFFAOYSA-N -1 3 363.425 2.801 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc([C@H]3CCCOC3)c2)ccc1-c1nnn[n-]1 ZINC000826384474 608308733 /nfs/dbraw/zinc/30/87/33/608308733.db2.gz WWYDYZFXGWZKNJ-HNNXBMFYSA-N -1 3 374.404 2.885 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc([C@H]3CCCOC3)c2)ccc1-c1nn[n-]n1 ZINC000826384474 608308735 /nfs/dbraw/zinc/30/87/35/608308735.db2.gz WWYDYZFXGWZKNJ-HNNXBMFYSA-N -1 3 374.404 2.885 20 30 FFEDHM COc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OC ZINC000826187925 608539305 /nfs/dbraw/zinc/53/93/05/608539305.db2.gz IRLZKNNAURXCOE-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM COc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC ZINC000826187925 608539306 /nfs/dbraw/zinc/53/93/06/608539306.db2.gz IRLZKNNAURXCOE-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM N#CCc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826382781 609143350 /nfs/dbraw/zinc/14/33/50/609143350.db2.gz UPCRJPBCJOWTRR-UHFFFAOYSA-N -1 3 364.434 2.664 20 30 FFEDHM N#CCc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826382781 609143351 /nfs/dbraw/zinc/14/33/51/609143351.db2.gz UPCRJPBCJOWTRR-UHFFFAOYSA-N -1 3 364.434 2.664 20 30 FFEDHM N#CCc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826382679 609237743 /nfs/dbraw/zinc/23/77/43/609237743.db2.gz PVQDUMLFAJMKFI-UHFFFAOYSA-N -1 3 352.785 2.767 20 30 FFEDHM N#CCc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826382679 609237745 /nfs/dbraw/zinc/23/77/45/609237745.db2.gz PVQDUMLFAJMKFI-UHFFFAOYSA-N -1 3 352.785 2.767 20 30 FFEDHM C=CCC[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823894077 609239740 /nfs/dbraw/zinc/23/97/40/609239740.db2.gz HAKMMHCHQSXNOL-AWEZNQCLSA-N -1 3 356.474 2.985 20 30 FFEDHM C=CCC[C@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823894077 609239742 /nfs/dbraw/zinc/23/97/42/609239742.db2.gz HAKMMHCHQSXNOL-AWEZNQCLSA-N -1 3 356.474 2.985 20 30 FFEDHM N#CC1(c2ccc(COC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826380468 609244587 /nfs/dbraw/zinc/24/45/87/609244587.db2.gz BMNAOJFQYAUIFK-UHFFFAOYSA-N -1 3 359.389 2.708 20 30 FFEDHM N#CC1(c2ccc(COC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826380468 609244588 /nfs/dbraw/zinc/24/45/88/609244588.db2.gz BMNAOJFQYAUIFK-UHFFFAOYSA-N -1 3 359.389 2.708 20 30 FFEDHM CC(C)(C#N)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824059397 609404881 /nfs/dbraw/zinc/40/48/81/609404881.db2.gz SIJVFINHMMYSEE-UHFFFAOYSA-N -1 3 353.308 2.557 20 30 FFEDHM CC(C)(C#N)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824059397 609404883 /nfs/dbraw/zinc/40/48/83/609404883.db2.gz SIJVFINHMMYSEE-UHFFFAOYSA-N -1 3 353.308 2.557 20 30 FFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000823973941 609405864 /nfs/dbraw/zinc/40/58/64/609405864.db2.gz MSCFKBKAXADAQN-JYRVWZFOSA-N -1 3 365.418 2.557 20 30 FFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnn(C)c1C ZINC000823958786 609409754 /nfs/dbraw/zinc/40/97/54/609409754.db2.gz WSCKCFVYZPKALH-UHFFFAOYSA-N -1 3 364.335 2.764 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnn(C)c1C ZINC000823958786 609409763 /nfs/dbraw/zinc/40/97/63/609409763.db2.gz WSCKCFVYZPKALH-UHFFFAOYSA-N -1 3 364.335 2.764 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC(C)(C)CC2)ccc1F ZINC000155599250 728832546 /nfs/dbraw/zinc/83/25/46/728832546.db2.gz MNWMLRMASIBYGU-UHFFFAOYSA-N -1 3 368.474 2.942 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000743448220 735298245 /nfs/dbraw/zinc/29/82/45/735298245.db2.gz FLXSTYCIAPTZGJ-UHFFFAOYSA-N -1 3 356.369 2.990 20 30 FFEDHM CC(C)(C)c1ncc(C=N[N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000743448166 735298263 /nfs/dbraw/zinc/29/82/63/735298263.db2.gz BOJALRKGVDAMMM-UHFFFAOYSA-N -1 3 351.497 2.937 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(OCC#N)cc2)c(F)cc1F ZINC000084674289 728424404 /nfs/dbraw/zinc/42/44/04/728424404.db2.gz VOTJHPOVUANYGE-UHFFFAOYSA-N -1 3 352.362 2.654 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)ccc1F ZINC000103367424 728496371 /nfs/dbraw/zinc/49/63/71/728496371.db2.gz NZGMKBQDALQUFU-BETUJISGSA-N -1 3 354.447 2.693 20 30 FFEDHM Cc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000113653226 728556190 /nfs/dbraw/zinc/55/61/90/728556190.db2.gz MKBORQWUGMEOBH-SNVBAGLBSA-N -1 3 351.193 2.997 20 30 FFEDHM C#CC[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccn1 ZINC000123491959 728659058 /nfs/dbraw/zinc/65/90/58/728659058.db2.gz AODLAJXEADNFQY-INIZCTEOSA-N -1 3 362.382 2.514 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1C ZINC000130470378 728718284 /nfs/dbraw/zinc/71/82/84/728718284.db2.gz GXLLXVNUOIUIBV-LBPRGKRZSA-N -1 3 351.193 2.997 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cn1 ZINC000130510501 728718818 /nfs/dbraw/zinc/71/88/18/728718818.db2.gz RDGABQJUHLFMMG-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(F)c(Br)c1 ZINC000174011017 729060671 /nfs/dbraw/zinc/06/06/71/729060671.db2.gz IJBGAVJQDYSMRS-SNVBAGLBSA-N -1 3 362.158 2.944 20 30 FFEDHM CN(C)S(=O)(=O)c1ccccc1C/N=C\c1cc(Cl)ccc1[O-] ZINC000254965201 729627892 /nfs/dbraw/zinc/62/78/92/729627892.db2.gz ISQHEWJFXCNUFJ-WQRHYEAKSA-N -1 3 352.843 2.915 20 30 FFEDHM O=C(C/N=C\c1cc(Br)ccc1[O-])NCCc1ccccc1 ZINC000255620431 729644114 /nfs/dbraw/zinc/64/41/14/729644114.db2.gz CMHILLRUCJGLIN-ODLFYWEKSA-N -1 3 361.239 2.933 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)ccc1F ZINC000255956199 729649515 /nfs/dbraw/zinc/64/95/15/729649515.db2.gz RJGHUPSCMGBSOH-LAQFHYBYSA-N -1 3 368.474 2.845 20 30 FFEDHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)CC2(C#N)CCCC2)c(C)c1 ZINC000498910438 729920016 /nfs/dbraw/zinc/92/00/16/729920016.db2.gz ZIZFNOCLERERIN-UHFFFAOYSA-N -1 3 363.483 2.554 20 30 FFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000770378833 737620177 /nfs/dbraw/zinc/62/01/77/737620177.db2.gz KJPAVVOBBXBPHY-SECBINFHSA-N -1 3 366.664 2.801 20 30 FFEDHM O=C(Nc1ccc(Br)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000866109091 731031722 /nfs/dbraw/zinc/03/17/22/731031722.db2.gz ZYFHBCGTSDWVAL-SNVBAGLBSA-N -1 3 362.611 2.604 20 30 FFEDHM N#Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC000866763951 731096726 /nfs/dbraw/zinc/09/67/26/731096726.db2.gz JXUYMBYVUVEEIY-OAHLLOKOSA-N -1 3 359.813 2.905 20 30 FFEDHM CC(C)CCn1ncc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1C(C)C ZINC000879370351 732691771 /nfs/dbraw/zinc/69/17/71/732691771.db2.gz AGSOTNWTHHRYPG-ZDUSSCGKSA-N -1 3 351.451 2.554 20 30 FFEDHM Cc1cccnc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000781581477 738638423 /nfs/dbraw/zinc/63/84/23/738638423.db2.gz FJQIQDOXFUCMQJ-HNNXBMFYSA-N -1 3 353.407 2.665 20 30 FFEDHM C[C@]1(c2ccc(CN=Cc3cc(Cl)ccc3[O-])cc2)NC(=O)NC1=O ZINC000726119307 734408198 /nfs/dbraw/zinc/40/81/98/734408198.db2.gz XHIUIEOPHZZOCT-SVYXSEEQSA-N -1 3 357.797 2.719 20 30 FFEDHM Cc1ncccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000728778232 734543939 /nfs/dbraw/zinc/54/39/39/734543939.db2.gz AFZSZDWCSAZNPH-OAHLLOKOSA-N -1 3 353.407 2.665 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(CC)cs2)ccc1F ZINC000729461765 734577142 /nfs/dbraw/zinc/57/71/42/734577142.db2.gz QJHXMKIOGMQPGO-UHFFFAOYSA-N -1 3 369.443 2.561 20 30 FFEDHM C[C@H](Sc1ccccc1C#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736194020 734978133 /nfs/dbraw/zinc/97/81/33/734978133.db2.gz WKXORSJOOOQVQR-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1ccccc1C#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736194020 734978135 /nfs/dbraw/zinc/97/81/35/734978135.db2.gz WKXORSJOOOQVQR-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC000739656251 735055710 /nfs/dbraw/zinc/05/57/10/735055710.db2.gz WLFPVRLMOGLJJI-STQMWFEESA-N -1 3 368.474 2.845 20 30 FFEDHM CCS(=O)(=O)c1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901372348 735771955 /nfs/dbraw/zinc/77/19/55/735771955.db2.gz CHOPMSBLYGIIOE-UHFFFAOYSA-N -1 3 365.426 2.970 20 30 FFEDHM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1 ZINC000901668091 735816235 /nfs/dbraw/zinc/81/62/35/735816235.db2.gz WVRTWNFCIWHLSH-UHFFFAOYSA-N -1 3 360.435 2.705 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1OC ZINC000752478210 735988937 /nfs/dbraw/zinc/98/89/37/735988937.db2.gz ZXVXHPOYSKJTJY-GFCCVEGCSA-N -1 3 359.407 2.738 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000903122666 736035486 /nfs/dbraw/zinc/03/54/86/736035486.db2.gz CKAXPRJVHIOQGK-LLVKDONJSA-N -1 3 367.265 2.512 20 30 FFEDHM O=C(C[C@H]1CCCS(=O)(=O)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180175 736230718 /nfs/dbraw/zinc/23/07/18/736230718.db2.gz IIMMGXBQROFZEN-SNVBAGLBSA-N -1 3 366.266 2.926 20 30 FFEDHM C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000757010898 736383317 /nfs/dbraw/zinc/38/33/17/736383317.db2.gz VNFOPLFGCWFLNH-QMMMGPOBSA-N -1 3 363.266 2.738 20 30 FFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCSC[C@@H]2C#N)s1 ZINC000907221286 736598310 /nfs/dbraw/zinc/59/83/10/736598310.db2.gz WGODGSOFOSHEGH-VIFPVBQESA-N -1 3 354.457 2.571 20 30 FFEDHM NC(=O)c1[nH]nc2ccc(N=Cc3cc(Br)ccc3[O-])cc21 ZINC000760230432 736623219 /nfs/dbraw/zinc/62/32/19/736623219.db2.gz XUHHCQHTYJUFDP-UHFFFAOYSA-N -1 3 359.183 2.881 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CCC2CC2)ccc1F ZINC000760679391 736660300 /nfs/dbraw/zinc/66/03/00/736660300.db2.gz XETAPPYRARHVAI-UHFFFAOYSA-N -1 3 354.447 2.552 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908752021 736826304 /nfs/dbraw/zinc/82/63/04/736826304.db2.gz INXJKGYISGGFDS-JKSUJKDBSA-N -1 3 367.877 2.747 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)ccc1F ZINC000762535013 736834466 /nfs/dbraw/zinc/83/44/66/736834466.db2.gz HQVVZCCJWIRJLP-ZDUSSCGKSA-N -1 3 366.458 2.695 20 30 FFEDHM CC[C@@H](C)NS(=O)(=O)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000763095618 736901614 /nfs/dbraw/zinc/90/16/14/736901614.db2.gz DXMOZXKTWWBQSJ-LLVKDONJSA-N -1 3 364.423 2.631 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCC(C)(C)CC#N)cc1 ZINC000764834801 737054371 /nfs/dbraw/zinc/05/43/71/737054371.db2.gz LVIGRJIDBZFGNK-UHFFFAOYSA-N -1 3 368.455 2.699 20 30 FFEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cn1 ZINC000764897056 737060882 /nfs/dbraw/zinc/06/08/82/737060882.db2.gz UFYCQOCOOMAFTH-OAHLLOKOSA-N -1 3 353.407 2.665 20 30 FFEDHM COC(=O)CCCC[C@@H](C)C(C)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000767779352 737367576 /nfs/dbraw/zinc/36/75/76/737367576.db2.gz JEOOHFDPLXWTNO-CQSZACIVSA-N -1 3 354.472 2.851 20 30 FFEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000769819125 737570399 /nfs/dbraw/zinc/57/03/99/737570399.db2.gz ZIGYTVFWICQVIT-UHFFFAOYSA-N -1 3 350.304 2.924 20 30 FFEDHM COc1ccc(Br)c(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000917556402 737764284 /nfs/dbraw/zinc/76/42/84/737764284.db2.gz ABXFNMTTYLBZLV-LSCVHKIXSA-N -1 3 365.227 2.978 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@H](C#N)Cc2cccs2)cc1 ZINC000772734332 737837707 /nfs/dbraw/zinc/83/77/07/737837707.db2.gz OXFRZZJDVONEHX-LBPRGKRZSA-N -1 3 364.448 2.659 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(C)F ZINC000785925660 739010798 /nfs/dbraw/zinc/01/07/98/739010798.db2.gz WJZDYKUKWIJPPD-ZDUSSCGKSA-N -1 3 370.446 2.575 20 30 FFEDHM C[C@]1(C#N)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000933600495 739660945 /nfs/dbraw/zinc/66/09/45/739660945.db2.gz QCWKWEQKUGCQJB-KRWDZBQOSA-N -1 3 356.407 2.771 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(OC)c(Cl)c1 ZINC000793124695 739741910 /nfs/dbraw/zinc/74/19/10/739741910.db2.gz MOZXLBGDVJRYQV-NSHDSACASA-N -1 3 359.769 2.713 20 30 FFEDHM C#Cc1ccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000934924820 739867537 /nfs/dbraw/zinc/86/75/37/739867537.db2.gz AXTPGWXNULYMLT-CYBMUJFWSA-N -1 3 353.344 2.590 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1 ZINC000795561357 740037802 /nfs/dbraw/zinc/03/78/02/740037802.db2.gz DFDDGEQRSFZJJP-UHFFFAOYSA-N -1 3 354.403 2.507 20 30 FFEDHM COCCO[N-]C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000804431632 740872370 /nfs/dbraw/zinc/87/23/70/740872370.db2.gz GUMDMNUQNFMVRZ-UHFFFAOYSA-N -1 3 351.834 2.512 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(C)(C)C ZINC000805146817 740946055 /nfs/dbraw/zinc/94/60/55/740946055.db2.gz MMTJKNZZACNBFZ-CQSZACIVSA-N -1 3 360.838 2.764 20 30 FFEDHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816691246 742053465 /nfs/dbraw/zinc/05/34/65/742053465.db2.gz NXZUGYXBKMMCIM-SSDOTTSWSA-N -1 3 357.844 2.553 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000816696844 742054065 /nfs/dbraw/zinc/05/40/65/742054065.db2.gz JOJXCYIYSNJCEH-CQSZACIVSA-N -1 3 353.403 2.683 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000816756257 742059011 /nfs/dbraw/zinc/05/90/11/742059011.db2.gz TWGWWINXHQEEDU-ZDUSSCGKSA-N -1 3 357.237 2.912 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000816756256 742059086 /nfs/dbraw/zinc/05/90/86/742059086.db2.gz TWGWWINXHQEEDU-CYBMUJFWSA-N -1 3 357.237 2.912 20 30 FFEDHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820175032 742470642 /nfs/dbraw/zinc/47/06/42/742470642.db2.gz QZPJTUMSNSZXQG-SNVBAGLBSA-N -1 3 370.192 2.677 20 30 FFEDHM N#CCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000826382178 743384101 /nfs/dbraw/zinc/38/41/01/743384101.db2.gz RLDMKBPQBDSVCO-UHFFFAOYSA-N -1 3 351.391 2.839 20 30 FFEDHM N#CCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000826382178 743384113 /nfs/dbraw/zinc/38/41/13/743384113.db2.gz RLDMKBPQBDSVCO-UHFFFAOYSA-N -1 3 351.391 2.839 20 30 FFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000832170228 745649932 /nfs/dbraw/zinc/64/99/32/745649932.db2.gz JDJWOLFEHLRATQ-UHFFFAOYSA-N -1 3 351.877 2.987 20 30 FFEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c2c1CCCC2 ZINC000835062335 745941916 /nfs/dbraw/zinc/94/19/16/745941916.db2.gz BHNKDDCTHKNAJS-LBPRGKRZSA-N -1 3 356.813 2.913 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](CC)CC[C@@H]2C)ccc1F ZINC000837095458 746365496 /nfs/dbraw/zinc/36/54/96/746365496.db2.gz YLGFFBAGBXQTSG-UONOGXRCSA-N -1 3 368.474 2.941 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000840706847 747163748 /nfs/dbraw/zinc/16/37/48/747163748.db2.gz LIOJSYUCHMDGRA-SVKBEJCWSA-N -1 3 351.447 2.700 20 30 FFEDHM Cn1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccc2c1=O ZINC000842940167 747726537 /nfs/dbraw/zinc/72/65/37/747726537.db2.gz YDRBIEDMKIWUQI-ZDUSSCGKSA-N -1 3 350.403 2.757 20 30 FFEDHM C=CCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC000847184167 748638389 /nfs/dbraw/zinc/63/83/89/748638389.db2.gz PADPVHXMMSJTGB-UHFFFAOYSA-N -1 3 354.447 2.766 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)CC1 ZINC000908945332 939360410 /nfs/dbraw/zinc/36/04/10/939360410.db2.gz GUWJXVCISMCFRP-KRWDZBQOSA-N -1 3 363.433 2.600 20 30 FFEDHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736057137 944738177 /nfs/dbraw/zinc/73/81/77/944738177.db2.gz UCOUEJLEPWKTOX-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736057137 944738183 /nfs/dbraw/zinc/73/81/83/944738183.db2.gz UCOUEJLEPWKTOX-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000737291416 945032097 /nfs/dbraw/zinc/03/20/97/945032097.db2.gz KXWKHAGMIJXVQU-GOSISDBHSA-N -1 3 373.420 2.654 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000737291416 945032106 /nfs/dbraw/zinc/03/21/06/945032106.db2.gz KXWKHAGMIJXVQU-GOSISDBHSA-N -1 3 373.420 2.654 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000823909592 946514738 /nfs/dbraw/zinc/51/47/38/946514738.db2.gz KLALUTVWWIIALJ-CYBMUJFWSA-N -1 3 367.413 2.622 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000823909592 946514749 /nfs/dbraw/zinc/51/47/49/946514749.db2.gz KLALUTVWWIIALJ-CYBMUJFWSA-N -1 3 367.413 2.622 20 30 FFEDHM C=CCOCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823924935 946518396 /nfs/dbraw/zinc/51/83/96/946518396.db2.gz AVOZVKYSXCONIB-CQSZACIVSA-N -1 3 363.421 2.914 20 30 FFEDHM C=CCOCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823924935 946518398 /nfs/dbraw/zinc/51/83/98/946518398.db2.gz AVOZVKYSXCONIB-CQSZACIVSA-N -1 3 363.421 2.914 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)C[C@H](C)Nc2ncccc2-c2nnn[n-]2)CCC1 ZINC001573325436 947357680 /nfs/dbraw/zinc/35/76/80/947357680.db2.gz BSWGHHSMFJWXOJ-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)C[C@H](C)Nc2ncccc2-c2nn[n-]n2)CCC1 ZINC001573325436 947357692 /nfs/dbraw/zinc/35/76/92/947357692.db2.gz BSWGHHSMFJWXOJ-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573334521 947457385 /nfs/dbraw/zinc/45/73/85/947457385.db2.gz NLCPANRKSAGEME-CABCVRRESA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573334521 947457390 /nfs/dbraw/zinc/45/73/90/947457390.db2.gz NLCPANRKSAGEME-CABCVRRESA-N -1 3 369.473 2.657 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1C#N ZINC001298260869 948500742 /nfs/dbraw/zinc/50/07/42/948500742.db2.gz KBWJCJSZXVBXOS-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1C#N ZINC001298260869 948500748 /nfs/dbraw/zinc/50/07/48/948500748.db2.gz KBWJCJSZXVBXOS-UHFFFAOYSA-N -1 3 363.381 2.563 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC001594367538 958502183 /nfs/dbraw/zinc/50/21/83/958502183.db2.gz UIEJOQWZVGFHLD-RYRKJORJSA-N -1 3 357.454 2.673 20 30 FFEDHM COc1ccc(CCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000007674037 1013197036 /nfs/dbraw/zinc/19/70/36/1013197036.db2.gz KGVLDXDWOKDFIA-UHFFFAOYSA-N -1 3 354.406 2.591 20 30 FFEDHM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1nnc2n1CCCCC2 ZINC000255426549 965639347 /nfs/dbraw/zinc/63/93/47/965639347.db2.gz BRSUQHIQHWTWIS-FJVVXJACSA-N -1 3 358.405 2.837 20 30 FFEDHM CCN(CC)S(=O)(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1C ZINC000046705967 970726448 /nfs/dbraw/zinc/72/64/48/970726448.db2.gz LSTVNWFHPKINDY-MRXNPFEDSA-N -1 3 371.462 2.911 20 30 FFEDHM CC(=O)Nc1cc(NC(C)=O)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574873 976062300 /nfs/dbraw/zinc/06/23/00/976062300.db2.gz LBEAYDQGLHCKNI-QGZVFWFLSA-N -1 3 365.393 2.500 20 30 FFEDHM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3ccc(O)cc3[O-])CC2)C1=O ZINC001271855553 979153973 /nfs/dbraw/zinc/15/39/73/979153973.db2.gz NDBVUIUYWWOSSI-FQEVSTJZSA-N -1 3 358.438 2.519 20 30 FFEDHM CC(=O)c1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1[O-] ZINC000668174237 979869182 /nfs/dbraw/zinc/86/91/82/979869182.db2.gz HWMLMHVJGXOFMS-UHFFFAOYSA-N -1 3 366.373 2.926 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000986616284 980236630 /nfs/dbraw/zinc/23/66/30/980236630.db2.gz XIJGNJOTXNVXQR-VWKPWSFCSA-N -1 3 356.466 2.915 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000127485518 980237331 /nfs/dbraw/zinc/23/73/31/980237331.db2.gz NSPRDWKPJCZZMZ-CQSZACIVSA-N -1 3 353.334 2.873 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1 ZINC000129042387 980571755 /nfs/dbraw/zinc/57/17/55/980571755.db2.gz GGHIJCXFUGARAF-AWEZNQCLSA-N -1 3 354.410 2.998 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NC[C@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908810116 981541937 /nfs/dbraw/zinc/54/19/37/981541937.db2.gz UKZRXQMRHQIJSL-ROUUACIJSA-N -1 3 359.470 2.542 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](OC(=O)c3cc(-c4ccco4)[n-]n3)C2=O)cc1 ZINC000913302232 984236376 /nfs/dbraw/zinc/23/63/76/984236376.db2.gz RXSCGILSISAJGZ-QGZVFWFLSA-N -1 3 362.345 2.504 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](OC(=O)c3cc(-c4ccco4)n[n-]3)C2=O)cc1 ZINC000913302232 984236378 /nfs/dbraw/zinc/23/63/78/984236378.db2.gz RXSCGILSISAJGZ-QGZVFWFLSA-N -1 3 362.345 2.504 20 30 FFEDHM O=C(Nc1ccccc1COc1ccccc1)N[C@H]1CCCN([O-])C1=O ZINC000878389864 1015022624 /nfs/dbraw/zinc/02/26/24/1015022624.db2.gz WUNGEIGBFFEVJE-KRWDZBQOSA-N -1 3 355.394 2.767 20 30 FFEDHM N#CC(=C([O-])c1ccc(-c2ccccn2)nc1)c1nnc2n1CCCCC2 ZINC000651269073 1015094655 /nfs/dbraw/zinc/09/46/55/1015094655.db2.gz XBYNXGPOPKKRFA-OAHLLOKOSA-N -1 3 358.405 2.952 20 30 FFEDHM Cc1cccc2c1NC(=O)C2=N[N-]c1c(F)cc(C(=O)NC2CC2)cc1F ZINC000763182711 989185977 /nfs/dbraw/zinc/18/59/77/989185977.db2.gz GMOJCUOHWMGKIX-UHFFFAOYSA-N -1 3 370.359 2.934 20 30 FFEDHM Cc1ccc(-n2ncc(NC(=O)N[C@H]3CCCN([O-])C3=O)c2C(C)C)cc1 ZINC000879357358 1015495557 /nfs/dbraw/zinc/49/55/57/1015495557.db2.gz IUYMNRVPZLIWDA-HNNXBMFYSA-N -1 3 371.441 2.806 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(C)C)nc2)c1 ZINC000916892620 990012244 /nfs/dbraw/zinc/01/22/44/990012244.db2.gz JITATILRHMKHQQ-MRXNPFEDSA-N -1 3 353.378 2.839 20 30 FFEDHM CO[C@@H](C)c1nsc([N-]C(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC001128947081 990051977 /nfs/dbraw/zinc/05/19/77/990051977.db2.gz OVBWYPUBEDCJEJ-LURJTMIESA-N -1 3 357.317 2.783 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1[O-] ZINC000920941797 990941055 /nfs/dbraw/zinc/94/10/55/990941055.db2.gz RFOLLYIBFDYDGL-BTXKWLAHSA-N -1 3 353.422 2.895 20 30 FFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCNC2=O)cc1 ZINC001593194576 994137667 /nfs/dbraw/zinc/13/76/67/994137667.db2.gz JLOXLMSWFQJQEJ-UGSOOPFHSA-N -1 3 364.405 2.564 20 30 FFEDHM N#Cc1cc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(F)cc1F ZINC001132470999 994934758 /nfs/dbraw/zinc/93/47/58/994934758.db2.gz YYJSVEHPLKPSSG-UHFFFAOYSA-N -1 3 361.260 2.768 20 30 FFEDHM CC(C)[C@H](CNC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811185342 995051963 /nfs/dbraw/zinc/05/19/63/995051963.db2.gz JOZSPBOPPMCTLM-IBGZPJMESA-N -1 3 366.417 2.977 20 30 FFEDHM C[C@H](CNC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811187092 995052679 /nfs/dbraw/zinc/05/26/79/995052679.db2.gz JLMJVWYENAMZEM-KGLIPLIRSA-N -1 3 352.390 2.729 20 30 FFEDHM CCCC[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cc(C)on1 ZINC000811188599 995053387 /nfs/dbraw/zinc/05/33/87/995053387.db2.gz PVGVYCKWNKQXHB-HNNXBMFYSA-N -1 3 357.366 2.915 20 30 FFEDHM CCCCCCCCOCC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000812384267 995423803 /nfs/dbraw/zinc/42/38/03/995423803.db2.gz ISRVVJDDSRMJRL-UHFFFAOYSA-N -1 3 363.458 2.898 20 30 FFEDHM COc1ccc(CC(=O)[N-]OCc2cn3ccccc3c2C#N)cc1OC ZINC000747836443 995610829 /nfs/dbraw/zinc/61/08/29/995610829.db2.gz YPJLPKHLSUBPFJ-UHFFFAOYSA-N -1 3 365.389 2.619 20 30 FFEDHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(Oc3ccc(C#N)cc3F)CC2)O1 ZINC001594103428 998132939 /nfs/dbraw/zinc/13/29/39/998132939.db2.gz WDWNMDMIUFDTSK-HNNXBMFYSA-N -1 3 360.385 2.688 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)nc2)cc1 ZINC000734080504 999197194 /nfs/dbraw/zinc/19/71/94/999197194.db2.gz UISQZJHITHSMGR-WBMJQRKESA-N -1 3 352.394 2.960 20 30 FFEDHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000734801157 999340949 /nfs/dbraw/zinc/34/09/49/999340949.db2.gz UXYFUIIRSMYNGD-SFHVURJKSA-N -1 3 365.437 2.501 20 30 FFEDHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)nn1 ZINC000766621868 1000031691 /nfs/dbraw/zinc/03/16/91/1000031691.db2.gz BJDFLEZYCRSBHX-HNNXBMFYSA-N -1 3 353.426 2.774 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109633194 1000748929 /nfs/dbraw/zinc/74/89/29/1000748929.db2.gz RQLWTECHJAQYCJ-ZSGPHXLJSA-N -1 3 370.497 2.883 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc[nH]c2=S)c(C)c1[O-] ZINC001147679293 1000944456 /nfs/dbraw/zinc/94/44/56/1000944456.db2.gz BVIARIMFSSGPQI-UHFFFAOYSA-N -1 3 357.391 2.685 20 30 FFEDHM Cc1ccc(NC(=S)NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)cc1 ZINC000774321506 1001861326 /nfs/dbraw/zinc/86/13/26/1001861326.db2.gz QFMYJXCOQACAFJ-UHFFFAOYSA-N -1 3 373.369 2.685 20 30 FFEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc3nsnc3c2)c1F ZINC001186263302 1003249940 /nfs/dbraw/zinc/24/99/40/1003249940.db2.gz QKPJSZPXVPUWQL-UHFFFAOYSA-N -1 3 352.347 2.642 20 30 FFEDHM CC(C)(C)C#CC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186361701 1003288165 /nfs/dbraw/zinc/28/81/65/1003288165.db2.gz BLUMQBMBMBDIIU-UHFFFAOYSA-N -1 3 365.680 2.825 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)c(OC(F)(F)F)c1 ZINC001187008182 1003512853 /nfs/dbraw/zinc/51/28/53/1003512853.db2.gz CUFAHCVFAGWGBM-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)c(OC(F)(F)F)c1 ZINC001187008182 1003512861 /nfs/dbraw/zinc/51/28/61/1003512861.db2.gz CUFAHCVFAGWGBM-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000804622579 1003749422 /nfs/dbraw/zinc/74/94/22/1003749422.db2.gz CYEUQNHRVVCNIO-UHFFFAOYSA-N -1 3 372.232 2.695 20 30 FFEDHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3ncc(F)cn3)c(C#N)c21 ZINC001197199082 1004118953 /nfs/dbraw/zinc/11/89/53/1004118953.db2.gz OLOROXVPVAWHBS-SNVBAGLBSA-N -1 3 374.397 2.784 20 30 FFEDHM N#Cc1ccc(-c2ccc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC001197400906 1004194284 /nfs/dbraw/zinc/19/42/84/1004194284.db2.gz BTOMSQMNDWWFPU-UHFFFAOYSA-N -1 3 370.372 2.928 20 30 FFEDHM N#Cc1ccc(-c2ccc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC001197400906 1004194286 /nfs/dbraw/zinc/19/42/86/1004194286.db2.gz BTOMSQMNDWWFPU-UHFFFAOYSA-N -1 3 370.372 2.928 20 30 FFEDHM C#Cc1cnc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c(C#C)n1 ZINC001197706785 1004331251 /nfs/dbraw/zinc/33/12/51/1004331251.db2.gz NBKIQCWBWXUVTK-UHFFFAOYSA-N -1 3 369.380 2.976 20 30 FFEDHM N#CCS(=O)(=O)[N-]c1cc2ccccc2cc1I ZINC001192978912 1004346753 /nfs/dbraw/zinc/34/67/53/1004346753.db2.gz NLHWZMDMELBRFC-UHFFFAOYSA-N -1 3 372.187 2.710 20 30 FFEDHM COc1cc(C(=O)N=C(N)c2ccc3cc(O)ccc3c2)cc(O)c1[O-] ZINC001193120239 1004379880 /nfs/dbraw/zinc/37/98/80/1004379880.db2.gz RABMAKSPNOHZJE-UHFFFAOYSA-N -1 3 352.346 2.511 20 30 FFEDHM CCOc1c(OC)cc(C/N=C\c2c([O-])c(C)ncc2CO)cc1OC ZINC000747362050 1004437190 /nfs/dbraw/zinc/43/71/90/1004437190.db2.gz KMYUKDIVAWBHQO-JMIUGGIZSA-N -1 3 360.410 2.623 20 30 FFEDHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)c1cccc(C#N)c1 ZINC001194992102 1004866753 /nfs/dbraw/zinc/86/67/53/1004866753.db2.gz UXGGMPARTKBZNH-NSHDSACASA-N -1 3 361.398 2.560 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2nccn2CC2CC2)c(C)c1[O-] ZINC001199455056 1004937947 /nfs/dbraw/zinc/93/79/47/1004937947.db2.gz VWIZYSGXKSSWES-UHFFFAOYSA-N -1 3 368.393 2.608 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccnc2I)ccc1[O-] ZINC001199765927 1005023217 /nfs/dbraw/zinc/02/32/17/1005023217.db2.gz SPURSHJUOQFYGN-UHFFFAOYSA-N -1 3 365.130 2.516 20 30 FFEDHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)cc1 ZINC001201215759 1005185976 /nfs/dbraw/zinc/18/59/76/1005185976.db2.gz AQUACIJUESNSJW-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1nnc2ccccc2c1[O-] ZINC000110047671 1005893520 /nfs/dbraw/zinc/89/35/20/1005893520.db2.gz CEHZMUZYOSKQGL-UHFFFAOYSA-N -1 3 366.380 2.970 20 30 FFEDHM N#CC(C(=O)C=Cc1ccc(C(N)=O)o1)=C([O-])c1cc2c(s1)CCCC2 ZINC000853131510 1006307495 /nfs/dbraw/zinc/30/74/95/1006307495.db2.gz JDVRLGKAGFKVCQ-IYNGYCSASA-N -1 3 368.414 2.924 20 30 FFEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1ccc(C(N)=O)o1 ZINC000853131510 1006307509 /nfs/dbraw/zinc/30/75/09/1006307509.db2.gz JDVRLGKAGFKVCQ-IYNGYCSASA-N -1 3 368.414 2.924 20 30 FFEDHM C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc([O-])cc(C#N)c2)C1=O ZINC000815234207 1006547805 /nfs/dbraw/zinc/54/78/05/1006547805.db2.gz YGJSYOTUWBPYJY-KZULUSFZSA-N -1 3 368.364 2.922 20 30 FFEDHM CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNc2cccc(F)c2C#N)n1 ZINC000853975789 1006610939 /nfs/dbraw/zinc/61/09/39/1006610939.db2.gz GVYFZBAAJPYAMX-UHFFFAOYSA-N -1 3 373.388 2.830 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1nn(CC)nc1C ZINC000815908193 1006822254 /nfs/dbraw/zinc/82/22/54/1006822254.db2.gz VMLHCHZBWUWXOS-OAHLLOKOSA-N -1 3 353.426 2.692 20 30 FFEDHM O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000816757492 1007192145 /nfs/dbraw/zinc/19/21/45/1007192145.db2.gz TZDMIJYBIMHZMO-MRXNPFEDSA-N -1 3 374.824 2.882 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCOc3c(F)cccc32)c1 ZINC001190661365 1007722167 /nfs/dbraw/zinc/72/21/67/1007722167.db2.gz TYVMGQAJIAQWNW-CQSZACIVSA-N -1 3 350.346 2.639 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001190661434 1007722967 /nfs/dbraw/zinc/72/29/67/1007722967.db2.gz UYBRDTQRPFLJQC-KRWDZBQOSA-N -1 3 373.453 2.640 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)COC2)c1 ZINC001190665850 1007723935 /nfs/dbraw/zinc/72/39/35/1007723935.db2.gz PMNBXFXMIKCPJA-UHFFFAOYSA-N -1 3 366.801 2.555 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCCOc2cccc(F)c2)c1 ZINC001190671835 1007733740 /nfs/dbraw/zinc/73/37/40/1007733740.db2.gz XTAOPAIVBQIKHZ-UHFFFAOYSA-N -1 3 352.362 2.584 20 30 FFEDHM COc1cccnc1[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C1CC1 ZINC001190677743 1007746030 /nfs/dbraw/zinc/74/60/30/1007746030.db2.gz VZSRXPLAPIPZJL-INIZCTEOSA-N -1 3 361.398 2.531 20 30 FFEDHM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1ccc(=O)[n-]c1Cl)CC2 ZINC001190908141 1007844738 /nfs/dbraw/zinc/84/47/38/1007844738.db2.gz KTYYQOOGSRFCAF-GOSISDBHSA-N -1 3 363.845 2.614 20 30 FFEDHM CO/N=C(\C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1ccco1 ZINC001177353451 1008589104 /nfs/dbraw/zinc/58/91/04/1008589104.db2.gz NPWUTXMBSJXLRA-QNGOZBTKSA-N -1 3 359.769 2.854 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)n(C)n2)cc1 ZINC000773974519 1010367043 /nfs/dbraw/zinc/36/70/43/1010367043.db2.gz CPLLFUWRTFWWDR-DOMZBBRYSA-N -1 3 354.410 2.903 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(Cc3ccccc3)n2)cc1 ZINC000773974553 1010367293 /nfs/dbraw/zinc/36/72/93/1010367293.db2.gz CVTJDEFFYYKLGO-GOSISDBHSA-N -1 3 374.400 2.901 20 30 FFEDHM COc1cc([O-])c(CN2CCCC[C@H]2C#N)cc1I ZINC001248469535 1011196203 /nfs/dbraw/zinc/19/62/03/1011196203.db2.gz OVCUXYJWVIPEKB-NSHDSACASA-N -1 3 372.206 2.883 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1nnc(C(F)F)o1 ZINC000870455228 1012390532 /nfs/dbraw/zinc/39/05/32/1012390532.db2.gz WRXLOQQGDCSZHW-GFCCVEGCSA-N -1 3 359.332 2.950 20 30 FFEDHM Cc1nn(C)c2nc(C)c(CCC(=O)[N-]Oc3cccc(C#N)c3)c(C)c12 ZINC000870693575 1012529242 /nfs/dbraw/zinc/52/92/42/1012529242.db2.gz MFCCNSUTCFIXQB-UHFFFAOYSA-N -1 3 363.421 2.808 20 30 FFEDHM C=CCOc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000123284907 1012549179 /nfs/dbraw/zinc/54/91/79/1012549179.db2.gz IECJVGYNWRJZST-ZKKXHLJNSA-N -1 3 365.389 2.598 20 30 FFEDHM C#CCN1CCC(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000928654069 1019053297 /nfs/dbraw/zinc/05/32/97/1019053297.db2.gz MFQOAZZJCSPYRS-UHFFFAOYSA-N -1 3 373.453 2.567 20 30 FFEDHM C=CCCn1cc(CN[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])nn1 ZINC000901840926 1019510258 /nfs/dbraw/zinc/51/02/58/1019510258.db2.gz RCAXFZHYGGCKEK-LPHOPBHVSA-N -1 3 354.454 2.907 20 30 FFEDHM C#CCOc1ccccc1CN1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000901871849 1019533941 /nfs/dbraw/zinc/53/39/41/1019533941.db2.gz TWLZQDNTMVILGU-UHFFFAOYSA-N -1 3 353.422 2.739 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H](C#N)C3)nc(=O)c2c1C ZINC000932156103 1020726548 /nfs/dbraw/zinc/72/65/48/1020726548.db2.gz VYXZFOHYALZARN-NWDGAFQWSA-N -1 3 374.466 2.766 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)OCC ZINC001116592158 1021299220 /nfs/dbraw/zinc/29/92/20/1021299220.db2.gz PUNWDGHRSRWJEA-ZDUSSCGKSA-N -1 3 366.464 2.596 20 30 FFEDHM CCOc1cnc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)cn1 ZINC000778605511 1022157568 /nfs/dbraw/zinc/15/75/68/1022157568.db2.gz QWCDBBDZBVUKFM-HNNXBMFYSA-N -1 3 366.421 2.961 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001122481425 1023295927 /nfs/dbraw/zinc/29/59/27/1023295927.db2.gz CFBQAWMJATWXMO-NWDGAFQWSA-N -1 3 360.487 2.655 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC2(CCCCO2)CC1 ZINC001122567581 1023343733 /nfs/dbraw/zinc/34/37/33/1023343733.db2.gz QNPOOCBVQYQAGY-UHFFFAOYSA-N -1 3 370.457 2.556 20 30 FFEDHM COc1cc(C(=O)OCCCOc2ccc(C#N)cc2)cc(OC)c1[O-] ZINC000754267725 1023448244 /nfs/dbraw/zinc/44/82/44/1023448244.db2.gz OFJLYRWTOGIMRF-UHFFFAOYSA-N -1 3 357.362 2.907 20 30 FFEDHM C#C[C@@H](CC)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000754379179 1023462802 /nfs/dbraw/zinc/46/28/02/1023462802.db2.gz JKDVRFJMESWZGE-HKUYNNGSSA-N -1 3 350.418 2.781 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC(Nc3nc(Cl)c(C#N)s3)CC2)n1 ZINC001120963570 1023546234 /nfs/dbraw/zinc/54/62/34/1023546234.db2.gz NIHJIAHNJCYEGG-UHFFFAOYSA-N -1 3 350.835 2.553 20 30 FFEDHM C=C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1)c1ccccc1 ZINC000949603462 1023583889 /nfs/dbraw/zinc/58/38/89/1023583889.db2.gz NQDUCIZJRVARBD-HHXXYDBFSA-N -1 3 364.445 2.939 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@H]4COC[C@]4(C)C3)n2C)c1[O-] ZINC001121438997 1023777133 /nfs/dbraw/zinc/77/71/33/1023777133.db2.gz UOIMVMUSSDFAGX-YWZLYKJASA-N -1 3 354.454 2.779 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCOC)c1[O-] ZINC001122193332 1024421036 /nfs/dbraw/zinc/42/10/36/1024421036.db2.gz RLBFTWGHFSZHKI-MRXNPFEDSA-N -1 3 372.469 2.641 20 30 FFEDHM C=CCc1ccc(OCC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c(OC)c1 ZINC000837317831 1025721903 /nfs/dbraw/zinc/72/19/03/1025721903.db2.gz VZEAWLYXFPCAGA-UHFFFAOYSA-N -1 3 370.405 2.919 20 30 FFEDHM N#CC1(NC(=O)c2cc(=O)c3cc(Cl)ccc3[n-]2)Cc2ccccc2C1 ZINC001153908616 1028065434 /nfs/dbraw/zinc/06/54/34/1028065434.db2.gz SLUOSWPDTMIQRU-UHFFFAOYSA-N -1 3 363.804 2.972 20 30 FFEDHM COc1ccc2c(c1)[n-]c(C(=O)N1CCc3cc(C#N)ccc3C1)cc2=O ZINC001154113351 1028150488 /nfs/dbraw/zinc/15/04/88/1028150488.db2.gz ROFWASKLKXZXLZ-UHFFFAOYSA-N -1 3 359.385 2.607 20 30 FFEDHM CN(CCN(C)C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)Cc1ccccc1 ZINC001154555565 1028352352 /nfs/dbraw/zinc/35/23/52/1028352352.db2.gz FYOHBOPRRXRONF-UHFFFAOYSA-N -1 3 374.444 2.604 20 30 FFEDHM COC(=O)c1coc(=O)c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001163768716 1029056175 /nfs/dbraw/zinc/05/61/75/1029056175.db2.gz AMIJTJRLZIDYOS-UHFFFAOYSA-N -1 3 372.255 2.573 20 30 FFEDHM N#Cc1ccc2[nH]c(C(=O)Nc3n[n-]c(CC(=O)c4ccccc4)n3)cc2c1 ZINC001156453211 1029197572 /nfs/dbraw/zinc/19/75/72/1029197572.db2.gz PGCQHKKRBAJBCC-UHFFFAOYSA-N -1 3 370.372 2.835 20 30 FFEDHM N#CCOc1ccc(CC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783622805 1030194347 /nfs/dbraw/zinc/19/43/47/1030194347.db2.gz MQKUOEKRKNXSOH-UHFFFAOYSA-N -1 3 365.345 2.630 20 30 FFEDHM N#Cc1cc(NC(=O)C2CCN(Cc3ccncc3)CC2)c([O-])cc1F ZINC001142346810 1030333330 /nfs/dbraw/zinc/33/33/30/1030333330.db2.gz DEMSIXSRXWHPGK-UHFFFAOYSA-N -1 3 354.385 2.649 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cnn2c1OCCC2 ZINC000796748177 1030903433 /nfs/dbraw/zinc/90/34/33/1030903433.db2.gz QHJDTHRLNJRRQI-HNNXBMFYSA-N -1 3 366.421 2.752 20 30 FFEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1occ2c1CCC2 ZINC000796799463 1030920366 /nfs/dbraw/zinc/92/03/66/1030920366.db2.gz ULGSBLVSYYUVTK-AWEZNQCLSA-N -1 3 352.346 2.501 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)CSc2ccc(C#N)cc2)[n-]n1 ZINC001142900257 1031016960 /nfs/dbraw/zinc/01/69/60/1031016960.db2.gz JURYFEXWGKVFJL-UHFFFAOYSA-N -1 3 358.423 2.967 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)CSc2ccc(C#N)cc2)n[n-]1 ZINC001142900257 1031016976 /nfs/dbraw/zinc/01/69/76/1031016976.db2.gz JURYFEXWGKVFJL-UHFFFAOYSA-N -1 3 358.423 2.967 20 30 FFEDHM C#C[C@@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)C(C)C ZINC000799048277 1031624322 /nfs/dbraw/zinc/62/43/22/1031624322.db2.gz DNTXWSLYJSJDJP-OAHLLOKOSA-N -1 3 371.462 2.726 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2c(c1)C[C@H](C)O2 ZINC000830858140 1033827316 /nfs/dbraw/zinc/82/73/16/1033827316.db2.gz BGWAORUYOAMOGQ-LBPRGKRZSA-N -1 3 365.433 2.848 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nccc(/C=N/[O-])n2)CC1(C)C ZINC001226258178 1034596778 /nfs/dbraw/zinc/59/67/78/1034596778.db2.gz RMDISWNNFMVIAL-MDBUFAAASA-N -1 3 350.419 2.842 20 30 FFEDHM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3[n-]c(=O)ncc3OC)[C@@H]12 ZINC001226828621 1034855441 /nfs/dbraw/zinc/85/54/41/1034855441.db2.gz SDTRFRSJEQLSBC-XCGRYBKZSA-N -1 3 372.421 2.946 20 30 FFEDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC(S)CC2)c1 ZINC001233308347 1036515399 /nfs/dbraw/zinc/51/53/99/1036515399.db2.gz MYCAZTWITCDJME-UHFFFAOYSA-N -1 3 360.273 2.836 20 30 FFEDHM N#Cc1ccc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c([O-])c1 ZINC001233384306 1036583292 /nfs/dbraw/zinc/58/32/92/1036583292.db2.gz QLHRROAWMWUBBE-CEWLAPEOSA-N -1 3 365.433 2.607 20 30 FFEDHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)N4C)c2)cc1 ZINC001229536900 1036725953 /nfs/dbraw/zinc/72/59/53/1036725953.db2.gz HKGMQDORRZCTMB-NPTQXBSGSA-N -1 3 365.429 2.923 20 30 FFEDHM CC[C@H]1OC(C)=C(Oc2c([O-])cc(Br)cc2C(=O)OC)C1=O ZINC001229582001 1036757996 /nfs/dbraw/zinc/75/79/96/1036757996.db2.gz DKWDOVYLJTTXGZ-LLVKDONJSA-N -1 3 371.183 2.930 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1COCCN(C(=O)OC(C)(C)C)C1 ZINC001233799617 1036769148 /nfs/dbraw/zinc/76/91/48/1036769148.db2.gz MEHJZCBNHFIHLF-LEBHLANCSA-N -1 3 366.414 2.518 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN2C[C@H](Oc3ccccc3C=N[O-])C[C@H]2C1 ZINC001234822679 1037190902 /nfs/dbraw/zinc/19/09/02/1037190902.db2.gz NHSYZYCGOZDYCP-JKSUJKDBSA-N -1 3 361.442 2.567 20 30 FFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001213276050 1040402274 /nfs/dbraw/zinc/40/22/74/1040402274.db2.gz CMTOVWVBGQBKJU-AWEZNQCLSA-N -1 3 350.465 2.517 20 30 FFEDHM COC(=O)c1sc(SC)c(C#N)c1Nc1cnc(OC)c([O-])c1 ZINC001216206398 1041977683 /nfs/dbraw/zinc/97/76/83/1041977683.db2.gz SMFSLKLBFDEUNS-UHFFFAOYSA-N -1 3 351.409 2.981 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2OC)cc1 ZINC001263295352 1042226196 /nfs/dbraw/zinc/22/61/96/1042226196.db2.gz WNURSLNLOXHEQB-DOMZBBRYSA-N -1 3 354.410 2.903 20 30 FFEDHM C=CC[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2CCCOCC)C1 ZINC001263357608 1042260099 /nfs/dbraw/zinc/26/00/99/1042260099.db2.gz KVFXLNOWPAPETH-AWEZNQCLSA-N -1 3 361.446 2.858 20 30 FFEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309516756 1043417872 /nfs/dbraw/zinc/41/78/72/1043417872.db2.gz XKGCUPZDWUCWON-LBPRGKRZSA-N -1 3 350.318 2.694 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)CCCCC1 ZINC001309892926 1043577465 /nfs/dbraw/zinc/57/74/65/1043577465.db2.gz ZSNBHZKKGANQTB-UHFFFAOYSA-N -1 3 353.415 2.617 20 30 FFEDHM C=C[C@H](COC)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001320426242 1045406307 /nfs/dbraw/zinc/40/63/07/1045406307.db2.gz JBVURRNFILBUGP-GFCCVEGCSA-N -1 3 358.872 2.943 20 30 FFEDHM C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001297610807 1050243449 /nfs/dbraw/zinc/24/34/49/1050243449.db2.gz RUZRMRNFKFLMDY-QWRGUYRKSA-N -1 3 372.812 2.705 20 30 FFEDHM N#Cc1cnn(-c2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2)c1N ZINC001298551282 1050472275 /nfs/dbraw/zinc/47/22/75/1050472275.db2.gz YBIJFJRLZMHHJB-UHFFFAOYSA-N -1 3 353.769 2.937 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001341869086 1050478010 /nfs/dbraw/zinc/47/80/10/1050478010.db2.gz WKZJVJYHCDAFNK-LLVKDONJSA-N -1 3 365.869 2.544 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001341869086 1050478012 /nfs/dbraw/zinc/47/80/12/1050478012.db2.gz WKZJVJYHCDAFNK-LLVKDONJSA-N -1 3 365.869 2.544 20 30 FFEDHM COCCOc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001341882443 1050487477 /nfs/dbraw/zinc/48/74/77/1050487477.db2.gz CSWTVRRSKUTHGD-MRXNPFEDSA-N -1 3 362.389 2.727 20 30 FFEDHM N#CCOc1ccccc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304814962 1051717829 /nfs/dbraw/zinc/71/78/29/1051717829.db2.gz WAHJTCBSOOWYJU-HDJSIYSDSA-N -1 3 352.394 2.541 20 30 FFEDHM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898525 1052216002 /nfs/dbraw/zinc/21/60/02/1052216002.db2.gz HIHRPHXPKISEJO-KYHFQZCVSA-N -1 3 352.431 2.801 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(CCC#N)cc1)c1nc(C(C)(C)C)no1 ZINC001309254650 1052584954 /nfs/dbraw/zinc/58/49/54/1052584954.db2.gz KTBKLCIWZROHDH-LBPRGKRZSA-N -1 3 362.455 2.863 20 30 FFEDHM C=CCCCCCN(C)c1nnc(-c2cnc[n-]c2=O)n1C[C@@H]1CCOC1 ZINC001346772882 1053298076 /nfs/dbraw/zinc/29/80/76/1053298076.db2.gz DXIHYIJDGGSTKO-HNNXBMFYSA-N -1 3 372.473 2.660 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3nc(C(C)(C)C)ccc3C#N)C2)n1 ZINC001337252005 1054596543 /nfs/dbraw/zinc/59/65/43/1054596543.db2.gz DPOWJZAFZLVRGC-AWEZNQCLSA-N -1 3 352.442 2.746 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](Oc2ccccc2)C1 ZINC001356152754 1055336975 /nfs/dbraw/zinc/33/69/75/1055336975.db2.gz MIBCNVGROGKMHX-ZDUSSCGKSA-N -1 3 371.832 2.560 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](Oc2ccccc2)C1 ZINC001356152754 1055336995 /nfs/dbraw/zinc/33/69/95/1055336995.db2.gz MIBCNVGROGKMHX-ZDUSSCGKSA-N -1 3 371.832 2.560 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@H](CCF)C3)n2C)c1[O-] ZINC001338673810 1055720081 /nfs/dbraw/zinc/72/00/81/1055720081.db2.gz DEBNRIAQGNBERB-HNNXBMFYSA-N -1 3 360.433 2.871 20 30 FFEDHM C=CCC[C@H](C(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001350441161 1055775262 /nfs/dbraw/zinc/77/52/62/1055775262.db2.gz RJAMYIVGNRJBKG-ROUUACIJSA-N -1 3 366.465 2.936 20 30 FFEDHM C#CCC1(C(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)CCCCC1 ZINC001353051244 1056041527 /nfs/dbraw/zinc/04/15/27/1056041527.db2.gz VRMBSTDLJAUTOI-UHFFFAOYSA-N -1 3 356.470 2.549 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001339198084 1056192971 /nfs/dbraw/zinc/19/29/71/1056192971.db2.gz UZIWQSNZLKODJY-CQSZACIVSA-N -1 3 360.487 2.513 20 30 FFEDHM CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N(C)[C@@H](C)CC#N ZINC001339239892 1056239725 /nfs/dbraw/zinc/23/97/25/1056239725.db2.gz MHVUINOHOIKDQW-ZDUSSCGKSA-N -1 3 351.414 2.595 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC001518678285 1058457830 /nfs/dbraw/zinc/45/78/30/1058457830.db2.gz JSWOPFIQNPYIMC-VWLOTQADSA-N -1 3 359.451 2.971 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2cccc3ccccc32)n1 ZINC001450157457 1058987001 /nfs/dbraw/zinc/98/70/01/1058987001.db2.gz NMHHWFUIHYTHOS-CQSZACIVSA-N -1 3 353.403 2.683 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@H](C)O[C@H](COC)C3)n2C)c1[O-] ZINC001520084370 1059386234 /nfs/dbraw/zinc/38/62/34/1059386234.db2.gz MXJLGHHXQSYPTF-HOCLYGCPSA-N -1 3 372.469 2.546 20 30 FFEDHM O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N([O-])Cc1ccccc1Cl ZINC001457991173 1060485651 /nfs/dbraw/zinc/48/56/51/1060485651.db2.gz AXYRYPVYYCFUSX-UHFFFAOYSA-N -1 3 373.756 2.861 20 30 FFEDHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCCOc1ccc(C#N)cc1 ZINC001460310629 1060961350 /nfs/dbraw/zinc/96/13/50/1060961350.db2.gz MQTOYIROEFESKP-BBRMVZONSA-N -1 3 369.387 2.859 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC001526532884 1061159290 /nfs/dbraw/zinc/15/92/90/1061159290.db2.gz AAXCPVXWSIIWAI-QGZVFWFLSA-N -1 3 367.453 2.552 20 30 FFEDHM N#Cc1ccsc1[N-]C(=O)c1csc(I)n1 ZINC001523570668 1062524202 /nfs/dbraw/zinc/52/42/02/1062524202.db2.gz NBKCYMSKDQAZAM-UHFFFAOYSA-N -1 3 361.189 2.933 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(=O)OCC ZINC001464388277 1062582717 /nfs/dbraw/zinc/58/27/17/1062582717.db2.gz ZILJCFPONAOXLL-OAHLLOKOSA-N -1 3 359.875 2.700 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(=O)OCC ZINC001464388273 1062583858 /nfs/dbraw/zinc/58/38/58/1062583858.db2.gz ZILJCFPONAOXLL-HNNXBMFYSA-N -1 3 359.875 2.700 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2C)ccc1F ZINC001437927915 1062927515 /nfs/dbraw/zinc/92/75/15/1062927515.db2.gz IRRYOKJLGPYZKE-UHFFFAOYSA-N -1 3 362.426 2.875 20 30 FFEDHM C=CCc1cc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1OC ZINC001471810402 1064798001 /nfs/dbraw/zinc/79/80/01/1064798001.db2.gz RZVRPCSWNIXTHB-UHFFFAOYSA-N -1 3 369.421 2.735 20 30 FFEDHM Cc1cc(CO)cc(C)c1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001471945953 1064863147 /nfs/dbraw/zinc/86/31/47/1064863147.db2.gz FTWCHBQIANPLGM-UHFFFAOYSA-N -1 3 367.449 2.634 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472241659 1064987471 /nfs/dbraw/zinc/98/74/71/1064987471.db2.gz WNDGDTZTEBOWTG-IBGZPJMESA-N -1 3 357.410 2.934 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472241659 1064987482 /nfs/dbraw/zinc/98/74/82/1064987482.db2.gz WNDGDTZTEBOWTG-IBGZPJMESA-N -1 3 357.410 2.934 20 30 FFEDHM O=C(Cc1cccc(F)c1)NCC(=O)N([O-])CCCCc1ccccc1 ZINC001472619689 1065112436 /nfs/dbraw/zinc/11/24/36/1065112436.db2.gz CPVYOSVRYLLIMG-UHFFFAOYSA-N -1 3 358.413 2.725 20 30 FFEDHM C=CCN(CC(=O)[N-]C(=O)c1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC001473114381 1065202306 /nfs/dbraw/zinc/20/23/06/1065202306.db2.gz ARTJWHXIKHRMJZ-UHFFFAOYSA-N -1 3 368.433 2.648 20 30 FFEDHM CCCCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001577506819 1078371191 /nfs/dbraw/zinc/37/11/91/1078371191.db2.gz ZOGVMPYRZHXGFQ-UHFFFAOYSA-N -1 3 351.476 2.814 20 30 FFEDHM CCCCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001577506819 1078371194 /nfs/dbraw/zinc/37/11/94/1078371194.db2.gz ZOGVMPYRZHXGFQ-UHFFFAOYSA-N -1 3 351.476 2.814 20 30 FFEDHM Cc1ccc(CO[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC001581200710 1078935165 /nfs/dbraw/zinc/93/51/65/1078935165.db2.gz VLZMXOKTTRASES-CYBMUJFWSA-N -1 3 362.393 2.591 20 30 FFEDHM Cc1ccc(CO[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC001581200710 1078935171 /nfs/dbraw/zinc/93/51/71/1078935171.db2.gz VLZMXOKTTRASES-CYBMUJFWSA-N -1 3 362.393 2.591 20 30 FFEDHM Cc1ccc(CNc2cc(F)c(C#N)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001581200450 1078935399 /nfs/dbraw/zinc/93/53/99/1078935399.db2.gz NHZCKPQAHXBFHY-UHFFFAOYSA-N -1 3 353.317 2.706 20 30 FFEDHM Cc1ccc(CNc2cc(F)c(C#N)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001581200450 1078935402 /nfs/dbraw/zinc/93/54/02/1078935402.db2.gz NHZCKPQAHXBFHY-UHFFFAOYSA-N -1 3 353.317 2.706 20 30 FFEDHM Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001581729963 1078995276 /nfs/dbraw/zinc/99/52/76/1078995276.db2.gz WWDNXIPDBSQIKJ-UHFFFAOYSA-N -1 3 362.271 2.911 20 30 FFEDHM Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001581729963 1078995283 /nfs/dbraw/zinc/99/52/83/1078995283.db2.gz WWDNXIPDBSQIKJ-UHFFFAOYSA-N -1 3 362.271 2.911 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC001581857095 1079008800 /nfs/dbraw/zinc/00/88/00/1079008800.db2.gz PIALRWWVYXPZTA-CQSZACIVSA-N -1 3 356.748 2.654 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC001581857095 1079008807 /nfs/dbraw/zinc/00/88/07/1079008807.db2.gz PIALRWWVYXPZTA-CQSZACIVSA-N -1 3 356.748 2.654 20 30 FFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC001581860056 1079009839 /nfs/dbraw/zinc/00/98/39/1079009839.db2.gz ISKNTTGWYFDKKC-IONNQARKSA-N -1 3 351.197 2.596 20 30 FFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC001581860056 1079009845 /nfs/dbraw/zinc/00/98/45/1079009845.db2.gz ISKNTTGWYFDKKC-IONNQARKSA-N -1 3 351.197 2.596 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC001581912763 1079014723 /nfs/dbraw/zinc/01/47/23/1079014723.db2.gz XRTYGFQRNQRYKX-UHFFFAOYSA-N -1 3 357.295 2.876 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC001581912763 1079014731 /nfs/dbraw/zinc/01/47/31/1079014731.db2.gz XRTYGFQRNQRYKX-UHFFFAOYSA-N -1 3 357.295 2.876 20 30 FFEDHM Cc1cc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc(C)c1C#N ZINC001556528774 1075749857 /nfs/dbraw/zinc/74/98/57/1075749857.db2.gz XBVOPMXEJJPQQL-UONOGXRCSA-N -1 3 366.421 2.669 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(F)cc(C#N)c2)c(Cl)c1 ZINC001557945123 1075916471 /nfs/dbraw/zinc/91/64/71/1075916471.db2.gz YFXPZNYCIFDHJJ-UHFFFAOYSA-N -1 3 367.789 2.975 20 30 FFEDHM N#Cc1c2ccccc2[nH]c1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001558730996 1076066245 /nfs/dbraw/zinc/06/62/45/1076066245.db2.gz QBCNRWFKDDMZCX-JOCQHMNTSA-N -1 3 361.405 2.991 20 30 FFEDHM O=C([C@@H]1C[C@H]1C1CCCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001559033062 1076118330 /nfs/dbraw/zinc/11/83/30/1076118330.db2.gz ULKGNDYYYDGBRS-DLBZAZTESA-N -1 3 356.422 2.717 20 30 FFEDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC001561486195 1076383198 /nfs/dbraw/zinc/38/31/98/1076383198.db2.gz SYMLWIWSVMBJEZ-UHFFFAOYSA-N -1 3 360.366 2.931 20 30 FFEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)[C@H]1O ZINC001561647092 1076402673 /nfs/dbraw/zinc/40/26/73/1076402673.db2.gz UTIURJYGXYMHQW-YGRLFVJLSA-N -1 3 372.418 2.600 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccns1 ZINC001561806505 1076426186 /nfs/dbraw/zinc/42/61/86/1076426186.db2.gz XDNAYGPZRBLYNS-MRVPVSSYSA-N -1 3 372.269 2.817 20 30 FFEDHM N#Cc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)ccc1Oc1ccccc1 ZINC001562673671 1076510313 /nfs/dbraw/zinc/51/03/13/1076510313.db2.gz RTAIXHPSJNHXBK-INIZCTEOSA-N -1 3 366.377 2.852 20 30 FFEDHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC001588329826 1079984907 /nfs/dbraw/zinc/98/49/07/1079984907.db2.gz OODWBCDALHMMRI-OAHLLOKOSA-N -1 3 355.760 2.764 20 30 FFEDHM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC001588329826 1079984910 /nfs/dbraw/zinc/98/49/10/1079984910.db2.gz OODWBCDALHMMRI-OAHLLOKOSA-N -1 3 355.760 2.764 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CC(=C)C)C1 ZINC001588332770 1079987437 /nfs/dbraw/zinc/98/74/37/1079987437.db2.gz RTRNMVNHBJVWPR-OAHLLOKOSA-N -1 3 374.452 2.551 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CC(=C)C)C1 ZINC001588332770 1079987445 /nfs/dbraw/zinc/98/74/45/1079987445.db2.gz RTRNMVNHBJVWPR-OAHLLOKOSA-N -1 3 374.452 2.551 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588334074 1079987816 /nfs/dbraw/zinc/98/78/16/1079987816.db2.gz NKLAOMWNUJEZHH-MRXNPFEDSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588334074 1079987818 /nfs/dbraw/zinc/98/78/18/1079987818.db2.gz NKLAOMWNUJEZHH-MRXNPFEDSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588334224 1079989243 /nfs/dbraw/zinc/98/92/43/1079989243.db2.gz QYJRMCCXYXUKGZ-UZLBHIALSA-N -1 3 373.460 2.796 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588334224 1079989247 /nfs/dbraw/zinc/98/92/47/1079989247.db2.gz QYJRMCCXYXUKGZ-UZLBHIALSA-N -1 3 373.460 2.796 20 30 FFEDHM C#CCCCCC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588343468 1079990731 /nfs/dbraw/zinc/99/07/31/1079990731.db2.gz LTKGIAHVAOSOIT-CQSZACIVSA-N -1 3 370.432 2.602 20 30 FFEDHM C#CCCCCC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588343468 1079990734 /nfs/dbraw/zinc/99/07/34/1079990734.db2.gz LTKGIAHVAOSOIT-CQSZACIVSA-N -1 3 370.432 2.602 20 30 FFEDHM C#CCSCC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001588363018 1079993242 /nfs/dbraw/zinc/99/32/42/1079993242.db2.gz FKTFVDZWNBUWGB-UHFFFAOYSA-N -1 3 365.418 2.964 20 30 FFEDHM C#CCSCC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001588363018 1079993246 /nfs/dbraw/zinc/99/32/46/1079993246.db2.gz FKTFVDZWNBUWGB-UHFFFAOYSA-N -1 3 365.418 2.964 20 30 FFEDHM C#CCOc1cccc(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c1 ZINC001588363008 1079993939 /nfs/dbraw/zinc/99/39/39/1079993939.db2.gz DUXDURFOWDCFOM-UHFFFAOYSA-N -1 3 358.361 2.612 20 30 FFEDHM C#CCOc1cccc(NC(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588363136 1079994026 /nfs/dbraw/zinc/99/40/26/1079994026.db2.gz MLXAWUPEGUKWPT-CQSZACIVSA-N -1 3 361.405 2.696 20 30 FFEDHM C#CCOc1cccc(NC(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588363136 1079994030 /nfs/dbraw/zinc/99/40/30/1079994030.db2.gz MLXAWUPEGUKWPT-CQSZACIVSA-N -1 3 361.405 2.696 20 30 FFEDHM C#Cc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001588375969 1079997675 /nfs/dbraw/zinc/99/76/75/1079997675.db2.gz AHERWDJWWUPBIM-UHFFFAOYSA-N -1 3 358.405 2.604 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001588394365 1080006880 /nfs/dbraw/zinc/00/68/80/1080006880.db2.gz BMHHGXIRMNZUAA-HUUCEWRRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001588394365 1080006888 /nfs/dbraw/zinc/00/68/88/1080006888.db2.gz BMHHGXIRMNZUAA-HUUCEWRRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588396952 1080008073 /nfs/dbraw/zinc/00/80/73/1080008073.db2.gz RMUTWYSXKUMBGI-NSHDSACASA-N -1 3 363.491 2.541 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588402948 1080011218 /nfs/dbraw/zinc/01/12/18/1080011218.db2.gz QSDUMWNIFSDASO-TXEJJXNPSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588402948 1080011225 /nfs/dbraw/zinc/01/12/25/1080011225.db2.gz QSDUMWNIFSDASO-TXEJJXNPSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588412682 1080016326 /nfs/dbraw/zinc/01/63/26/1080016326.db2.gz YWZKECCMCAYZAP-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588412682 1080016337 /nfs/dbraw/zinc/01/63/37/1080016337.db2.gz YWZKECCMCAYZAP-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588412591 1080016591 /nfs/dbraw/zinc/01/65/91/1080016591.db2.gz YETKTGQZUYNHDF-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588412591 1080016600 /nfs/dbraw/zinc/01/66/00/1080016600.db2.gz YETKTGQZUYNHDF-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)SCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588425761 1080023762 /nfs/dbraw/zinc/02/37/62/1080023762.db2.gz SQICAQGAJNZBBE-CQSZACIVSA-N -1 3 359.499 2.956 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)SCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588425761 1080023772 /nfs/dbraw/zinc/02/37/72/1080023772.db2.gz SQICAQGAJNZBBE-CQSZACIVSA-N -1 3 359.499 2.956 20 30 FFEDHM C=C(C)Cn1c(C(F)F)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588438110 1080027976 /nfs/dbraw/zinc/02/79/76/1080027976.db2.gz MAVIUBPCGPHOGS-UHFFFAOYSA-N -1 3 360.372 2.608 20 30 FFEDHM C=C(C)Cn1c(C(F)F)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588438110 1080027983 /nfs/dbraw/zinc/02/79/83/1080027983.db2.gz MAVIUBPCGPHOGS-UHFFFAOYSA-N -1 3 360.372 2.608 20 30 FFEDHM C=C(C)Cn1c(Cc2cccc(-c3nnn[n-]3)c2C)nnc1N1CCCC1 ZINC001588438308 1080028809 /nfs/dbraw/zinc/02/88/09/1080028809.db2.gz PQUFBPAUDXPEEX-UHFFFAOYSA-N -1 3 364.457 2.534 20 30 FFEDHM C=C(C)Cn1c(Cc2cccc(-c3nn[n-]n3)c2C)nnc1N1CCCC1 ZINC001588438308 1080028818 /nfs/dbraw/zinc/02/88/18/1080028818.db2.gz PQUFBPAUDXPEEX-UHFFFAOYSA-N -1 3 364.457 2.534 20 30 FFEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H](C)C1 ZINC001588447247 1080029668 /nfs/dbraw/zinc/02/96/68/1080029668.db2.gz BUWKRAUAFZLSQV-LLVKDONJSA-N -1 3 370.848 2.724 20 30 FFEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H](C)C1 ZINC001588447247 1080029679 /nfs/dbraw/zinc/02/96/79/1080029679.db2.gz BUWKRAUAFZLSQV-LLVKDONJSA-N -1 3 370.848 2.724 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)CCCCNc2ncccc2-c2nnn[n-]2)C1 ZINC001588454467 1080031161 /nfs/dbraw/zinc/03/11/61/1080031161.db2.gz BCCSSMPIIDDMCG-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)CCCCNc2ncccc2-c2nn[n-]n2)C1 ZINC001588454467 1080031167 /nfs/dbraw/zinc/03/11/67/1080031167.db2.gz BCCSSMPIIDDMCG-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588461314 1080035895 /nfs/dbraw/zinc/03/58/95/1080035895.db2.gz MUYPWAROMFHQHO-STQMWFEESA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588461314 1080035906 /nfs/dbraw/zinc/03/59/06/1080035906.db2.gz MUYPWAROMFHQHO-STQMWFEESA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)C(C)(C)C ZINC001588476335 1080044437 /nfs/dbraw/zinc/04/44/37/1080044437.db2.gz VCCBJPOYCDOMMC-CQSZACIVSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)C(C)(C)C ZINC001588476335 1080044446 /nfs/dbraw/zinc/04/44/46/1080044446.db2.gz VCCBJPOYCDOMMC-CQSZACIVSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001588483450 1080047166 /nfs/dbraw/zinc/04/71/66/1080047166.db2.gz KOILVWPLKOCOLG-HNNXBMFYSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001588483450 1080047172 /nfs/dbraw/zinc/04/71/72/1080047172.db2.gz KOILVWPLKOCOLG-HNNXBMFYSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588487763 1080051061 /nfs/dbraw/zinc/05/10/61/1080051061.db2.gz BCAWDZFYKOSTLF-UHFFFAOYSA-N -1 3 352.398 2.854 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588487763 1080051068 /nfs/dbraw/zinc/05/10/68/1080051068.db2.gz BCAWDZFYKOSTLF-UHFFFAOYSA-N -1 3 352.398 2.854 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCCN(CC)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588493176 1080055557 /nfs/dbraw/zinc/05/55/57/1080055557.db2.gz BSKXWZQHOQKYIW-IBGZPJMESA-N -1 3 374.464 2.546 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588494342 1080059024 /nfs/dbraw/zinc/05/90/24/1080059024.db2.gz RPBBBHFUKHWCGR-QGZVFWFLSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588494342 1080059030 /nfs/dbraw/zinc/05/90/30/1080059030.db2.gz RPBBBHFUKHWCGR-QGZVFWFLSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588520509 1080071651 /nfs/dbraw/zinc/07/16/51/1080071651.db2.gz CDGYRKRCLMVLPE-OLZOCXBDSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588520509 1080071657 /nfs/dbraw/zinc/07/16/57/1080071657.db2.gz CDGYRKRCLMVLPE-OLZOCXBDSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588523874 1080076459 /nfs/dbraw/zinc/07/64/59/1080076459.db2.gz MSXAVIKFGVNZBH-CQSZACIVSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588523874 1080076468 /nfs/dbraw/zinc/07/64/68/1080076468.db2.gz MSXAVIKFGVNZBH-CQSZACIVSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C[C@@H](CC)CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC001588525863 1080077416 /nfs/dbraw/zinc/07/74/16/1080077416.db2.gz MEFASYIPELKBQR-JTQLQIEISA-N -1 3 363.443 2.954 20 30 FFEDHM C=C[C@@H](CC)CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC001588525863 1080077427 /nfs/dbraw/zinc/07/74/27/1080077427.db2.gz MEFASYIPELKBQR-JTQLQIEISA-N -1 3 363.443 2.954 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588525649 1080078160 /nfs/dbraw/zinc/07/81/60/1080078160.db2.gz ZLWKKGMYRQOKEL-AVGNSLFASA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588525649 1080078168 /nfs/dbraw/zinc/07/81/68/1080078168.db2.gz ZLWKKGMYRQOKEL-AVGNSLFASA-N -1 3 358.421 2.667 20 30 FFEDHM C=CC[C@H](C)OC(=O)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588539622 1080087102 /nfs/dbraw/zinc/08/71/02/1080087102.db2.gz RRTRWLLSXBENNN-LBPRGKRZSA-N -1 3 359.405 2.730 20 30 FFEDHM C=CC[C@@H](NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC001588545895 1080089045 /nfs/dbraw/zinc/08/90/45/1080089045.db2.gz QNYROPYIUBSZES-RDTXWAMCSA-N -1 3 362.437 2.874 20 30 FFEDHM C=CC[C@@H](NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC001588545895 1080089053 /nfs/dbraw/zinc/08/90/53/1080089053.db2.gz QNYROPYIUBSZES-RDTXWAMCSA-N -1 3 362.437 2.874 20 30 FFEDHM C=CCC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CCC1 ZINC001588548836 1080090090 /nfs/dbraw/zinc/09/00/90/1080090090.db2.gz HXYTXTRYROWXQZ-CYBMUJFWSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CCC1 ZINC001588548836 1080090097 /nfs/dbraw/zinc/09/00/97/1080090097.db2.gz HXYTXTRYROWXQZ-CYBMUJFWSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588549775 1080091257 /nfs/dbraw/zinc/09/12/57/1080091257.db2.gz XRMKPCMVOWHIQF-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588549775 1080091264 /nfs/dbraw/zinc/09/12/64/1080091264.db2.gz XRMKPCMVOWHIQF-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](C)Nc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001588553391 1080093388 /nfs/dbraw/zinc/09/33/88/1080093388.db2.gz MZWCQTDAQVTNTB-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](C)Nc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001588553391 1080093396 /nfs/dbraw/zinc/09/33/96/1080093396.db2.gz MZWCQTDAQVTNTB-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588559508 1080097015 /nfs/dbraw/zinc/09/70/15/1080097015.db2.gz KFUPKMICMKVTCR-MLGOLLRUSA-N -1 3 358.421 2.940 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588559508 1080097026 /nfs/dbraw/zinc/09/70/26/1080097026.db2.gz KFUPKMICMKVTCR-MLGOLLRUSA-N -1 3 358.421 2.940 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588559510 1080097343 /nfs/dbraw/zinc/09/73/43/1080097343.db2.gz KFUPKMICMKVTCR-WBMJQRKESA-N -1 3 358.421 2.940 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588559510 1080097353 /nfs/dbraw/zinc/09/73/53/1080097353.db2.gz KFUPKMICMKVTCR-WBMJQRKESA-N -1 3 358.421 2.940 20 30 FFEDHM C=CCCC(=O)NC[C@]1(C)CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588570166 1080102920 /nfs/dbraw/zinc/10/29/20/1080102920.db2.gz KADMCWIWHQMTRF-IBGZPJMESA-N -1 3 372.448 2.695 20 30 FFEDHM C=CCCC(=O)NC[C@]1(C)CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588570166 1080102926 /nfs/dbraw/zinc/10/29/26/1080102926.db2.gz KADMCWIWHQMTRF-IBGZPJMESA-N -1 3 372.448 2.695 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588581806 1080107294 /nfs/dbraw/zinc/10/72/94/1080107294.db2.gz ATEHMWIXKVFCSQ-HUUCEWRRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588581806 1080107298 /nfs/dbraw/zinc/10/72/98/1080107298.db2.gz ATEHMWIXKVFCSQ-HUUCEWRRSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N(C)[C@@H](CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001588582413 1080108488 /nfs/dbraw/zinc/10/84/88/1080108488.db2.gz JPRJWYGCNKXFMR-INIZCTEOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N(C)[C@@H](CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001588582413 1080108492 /nfs/dbraw/zinc/10/84/92/1080108492.db2.gz JPRJWYGCNKXFMR-INIZCTEOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588588339 1080111418 /nfs/dbraw/zinc/11/14/18/1080111418.db2.gz KZTZYLACQAQWLR-UHFFFAOYSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCCC(=O)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588588339 1080111422 /nfs/dbraw/zinc/11/14/22/1080111422.db2.gz KZTZYLACQAQWLR-UHFFFAOYSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCC[C@@H](C)OC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC001588593364 1080115984 /nfs/dbraw/zinc/11/59/84/1080115984.db2.gz AWGXZVWUQXRBCV-GFCCVEGCSA-N -1 3 367.413 2.536 20 30 FFEDHM C=CCCC[C@@H](C)OC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001588593364 1080115987 /nfs/dbraw/zinc/11/59/87/1080115987.db2.gz AWGXZVWUQXRBCV-GFCCVEGCSA-N -1 3 367.413 2.536 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588631361 1080128587 /nfs/dbraw/zinc/12/85/87/1080128587.db2.gz BAKUPJSIAZGSEO-ZDUSSCGKSA-N -1 3 358.471 2.560 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588631361 1080128589 /nfs/dbraw/zinc/12/85/89/1080128589.db2.gz BAKUPJSIAZGSEO-ZDUSSCGKSA-N -1 3 358.471 2.560 20 30 FFEDHM C=CCN(CC=C)C(=O)CN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588631791 1080129597 /nfs/dbraw/zinc/12/95/97/1080129597.db2.gz MESQOJGIXOEHQD-UHFFFAOYSA-N -1 3 354.458 2.530 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCS[C@@H](C)C1 ZINC001588641853 1080134761 /nfs/dbraw/zinc/13/47/61/1080134761.db2.gz NRGYPJGHYOEGSQ-BBRMVZONSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCS[C@@H](C)C1 ZINC001588641853 1080134764 /nfs/dbraw/zinc/13/47/64/1080134764.db2.gz NRGYPJGHYOEGSQ-BBRMVZONSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C(F)F)n1CC ZINC001588652112 1080141893 /nfs/dbraw/zinc/14/18/93/1080141893.db2.gz JWVTWPPJMRTMJN-UHFFFAOYSA-N -1 3 360.372 2.608 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C(F)F)n1CC ZINC001588652112 1080141897 /nfs/dbraw/zinc/14/18/97/1080141897.db2.gz JWVTWPPJMRTMJN-UHFFFAOYSA-N -1 3 360.372 2.608 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588653523 1080143675 /nfs/dbraw/zinc/14/36/75/1080143675.db2.gz KKLVOKAHKYAGFH-UHFFFAOYSA-N -1 3 358.405 2.875 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588653523 1080143678 /nfs/dbraw/zinc/14/36/78/1080143678.db2.gz KKLVOKAHKYAGFH-UHFFFAOYSA-N -1 3 358.405 2.875 20 30 FFEDHM C=CCOc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588688939 1080154305 /nfs/dbraw/zinc/15/43/05/1080154305.db2.gz CYGJTOUFCHPIFH-AWEZNQCLSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CCOc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588688939 1080154310 /nfs/dbraw/zinc/15/43/10/1080154310.db2.gz CYGJTOUFCHPIFH-AWEZNQCLSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001588696124 1080159090 /nfs/dbraw/zinc/15/90/90/1080159090.db2.gz JUFFKCXDYXHSGO-OLZOCXBDSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001588696124 1080159091 /nfs/dbraw/zinc/15/90/91/1080159091.db2.gz JUFFKCXDYXHSGO-OLZOCXBDSA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c([C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)nnc1N(C)C1CC1 ZINC001588705059 1080163481 /nfs/dbraw/zinc/16/34/81/1080163481.db2.gz RIQHELUDWCJLOO-ZDUSSCGKSA-N -1 3 364.457 2.589 20 30 FFEDHM C=CCn1c([C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)nnc1N(C)C1CC1 ZINC001588705059 1080163484 /nfs/dbraw/zinc/16/34/84/1080163484.db2.gz RIQHELUDWCJLOO-ZDUSSCGKSA-N -1 3 364.457 2.589 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588831864 1080211795 /nfs/dbraw/zinc/21/17/95/1080211795.db2.gz URELYVMMMMEOJU-KSSFIOAISA-N -1 3 350.484 2.838 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001589036097 1080316932 /nfs/dbraw/zinc/31/69/32/1080316932.db2.gz PFHNZGPZQVZKLF-UHFFFAOYSA-N -1 3 358.405 2.824 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001589036097 1080316939 /nfs/dbraw/zinc/31/69/39/1080316939.db2.gz PFHNZGPZQVZKLF-UHFFFAOYSA-N -1 3 358.405 2.824 20 30 FFEDHM CC(C)(C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccc(C#N)cc1 ZINC001589041939 1080319862 /nfs/dbraw/zinc/31/98/62/1080319862.db2.gz SAIYBPLORODWGR-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)(C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ccc(C#N)cc1 ZINC001589041939 1080319869 /nfs/dbraw/zinc/31/98/69/1080319869.db2.gz SAIYBPLORODWGR-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(C#N)c1 ZINC001589755251 1080709760 /nfs/dbraw/zinc/70/97/60/1080709760.db2.gz KUZQMTZJEOTEMS-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(C#N)c1 ZINC001589755251 1080709762 /nfs/dbraw/zinc/70/97/62/1080709762.db2.gz KUZQMTZJEOTEMS-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589813972 1080769448 /nfs/dbraw/zinc/76/94/48/1080769448.db2.gz ZPDALGFESCNNHV-GFCCVEGCSA-N -1 3 371.445 2.844 20 30 FFEDHM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589813972 1080769457 /nfs/dbraw/zinc/76/94/57/1080769457.db2.gz ZPDALGFESCNNHV-GFCCVEGCSA-N -1 3 371.445 2.844 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001590051525 1080980468 /nfs/dbraw/zinc/98/04/68/1080980468.db2.gz XXEOULLPZCKKJK-JTQLQIEISA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@@H]1CCC[C@H](CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC001590240990 1081115434 /nfs/dbraw/zinc/11/54/34/1081115434.db2.gz FUTFOHMESVFLCR-DTDBQYNISA-N -1 3 366.469 2.737 20 30 FFEDHM C[C@@H]1CC[C@H](OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC001590241760 1081116617 /nfs/dbraw/zinc/11/66/17/1081116617.db2.gz XYBZQVYTLAGOME-OMNBBPDLSA-N -1 3 353.426 2.917 20 30 FFEDHM C[C@@H]1CC[C@H](OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC001590241760 1081116621 /nfs/dbraw/zinc/11/66/21/1081116621.db2.gz XYBZQVYTLAGOME-OMNBBPDLSA-N -1 3 353.426 2.917 20 30 FFEDHM C[C@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC12CCC2 ZINC001590263196 1081131443 /nfs/dbraw/zinc/13/14/43/1081131443.db2.gz KFLCSCVXXPTZIQ-WMLDXEAASA-N -1 3 364.453 2.588 20 30 FFEDHM C[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC001590285208 1081140023 /nfs/dbraw/zinc/14/00/23/1081140023.db2.gz PLWVGHCKWOZOLY-RDTXWAMCSA-N -1 3 372.432 2.695 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000175501752 251218530 /nfs/dbraw/zinc/21/85/30/251218530.db2.gz XDGVRHFKOQMCSM-DLBZAZTESA-N -1 3 359.495 2.683 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1cccs1 ZINC000289799485 257300095 /nfs/dbraw/zinc/30/00/95/257300095.db2.gz JHFKPNISDHYTQB-OAHLLOKOSA-N -1 3 350.465 2.658 20 30 FFEDHM N#Cc1cc(Br)ccc1NCCNC(=O)c1ccc([O-])cc1 ZINC000302164770 258092075 /nfs/dbraw/zinc/09/20/75/258092075.db2.gz KPKCDLKKBWFGEE-UHFFFAOYSA-N -1 3 360.211 2.868 20 30 FFEDHM N#Cc1ccc2nc(N3CCN(C(=O)c4cccc([O-])c4)CC3)ccc2c1 ZINC000301824035 258069673 /nfs/dbraw/zinc/06/96/73/258069673.db2.gz NNNJUKXIPGGSQD-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@]1(O)CCCC(C)(C)C1 ZINC000331237100 258180437 /nfs/dbraw/zinc/18/04/37/258180437.db2.gz HQVLBKCSRVFUJV-HXUWFJFHSA-N -1 3 359.470 2.656 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2C2CCCCC2)s1 ZINC000333249732 258258317 /nfs/dbraw/zinc/25/83/17/258258317.db2.gz KAIBIQIEZNERHR-CQSZACIVSA-N -1 3 353.513 2.695 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000291599557 511262006 /nfs/dbraw/zinc/26/20/06/511262006.db2.gz CNYCIODLWCPRDJ-UHFFFAOYSA-N -1 3 354.419 2.696 20 30 FFEDHM Cc1ccc(-c2csc3[n-]c(Cn4cnnc4C#N)nc(=O)c23)s1 ZINC000054746950 506611922 /nfs/dbraw/zinc/61/19/22/506611922.db2.gz OSJSXXDTLXYJGT-UHFFFAOYSA-N -1 3 354.420 2.533 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000067124751 506763708 /nfs/dbraw/zinc/76/37/08/506763708.db2.gz CRPHKZJIFOWWMO-UHFFFAOYSA-N -1 3 352.362 2.681 20 30 FFEDHM Cc1c(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)nnn1-c1ccc(C)cc1 ZINC000057155103 507189034 /nfs/dbraw/zinc/18/90/34/507189034.db2.gz SAQQLECFIHMWHR-UHFFFAOYSA-N -1 3 365.319 2.852 20 30 FFEDHM Cc1c(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)nnn1-c1ccc(C)cc1 ZINC000057155103 507189041 /nfs/dbraw/zinc/18/90/41/507189041.db2.gz SAQQLECFIHMWHR-UHFFFAOYSA-N -1 3 365.319 2.852 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000047189475 507279969 /nfs/dbraw/zinc/27/99/69/507279969.db2.gz UQJKCVBDLBITKL-FZKQIMNGSA-N -1 3 359.470 2.508 20 30 FFEDHM N#CCCCCS(=O)(=O)[N-][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000068881098 507347657 /nfs/dbraw/zinc/34/76/57/507347657.db2.gz RLYLGNKLVYDXNT-SFHVURJKSA-N -1 3 371.462 2.980 20 30 FFEDHM CCN1CCN(c2ccc(/N=C/c3c([O-])c(C)ncc3CO)c(C)c2)CC1 ZINC000027062781 507629035 /nfs/dbraw/zinc/62/90/35/507629035.db2.gz OQHGRKLZSWOGKF-YDZHTSKRSA-N -1 3 368.481 2.789 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2OC[C@H]1C ZINC000072532336 507803655 /nfs/dbraw/zinc/80/36/55/507803655.db2.gz SWXVMKUQIMHPDM-GFCCVEGCSA-N -1 3 351.406 2.610 20 30 FFEDHM N#Cc1ccccc1OC1CCC(NC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000111130679 508073116 /nfs/dbraw/zinc/07/31/16/508073116.db2.gz OSHKJNDMXHCSOA-UHFFFAOYSA-N -1 3 361.405 2.950 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000076466561 508210007 /nfs/dbraw/zinc/21/00/07/508210007.db2.gz DBWMKRLGBPVHTG-FQEVSTJZSA-N -1 3 363.461 2.934 20 30 FFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1 ZINC000104756085 508345337 /nfs/dbraw/zinc/34/53/37/508345337.db2.gz LRRIDNRQADOCOF-UHFFFAOYSA-N -1 3 353.444 2.930 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000127564313 508468721 /nfs/dbraw/zinc/46/87/21/508468721.db2.gz ALHHVSKWBKLZLA-LBPRGKRZSA-N -1 3 354.859 2.982 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CNc3cccc(C#N)c3)c2)n1 ZINC000153358569 508575278 /nfs/dbraw/zinc/57/52/78/508575278.db2.gz LWVQKTHXGOYLPC-UHFFFAOYSA-N -1 3 373.416 2.922 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000157653230 508592758 /nfs/dbraw/zinc/59/27/58/508592758.db2.gz VLOMNQNXCFTLLM-UHFFFAOYSA-N -1 3 351.428 2.902 20 30 FFEDHM C[C@@H](C(=O)[N-]CC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117432448 508598181 /nfs/dbraw/zinc/59/81/81/508598181.db2.gz IBECSUMKQNQUNX-LURJTMIESA-N -1 3 360.220 2.870 20 30 FFEDHM N#Cc1ccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1Cl ZINC000153688888 508626047 /nfs/dbraw/zinc/62/60/47/508626047.db2.gz WDKOSTWBBZZJSZ-UHFFFAOYSA-N -1 3 372.812 2.859 20 30 FFEDHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000158108512 508658380 /nfs/dbraw/zinc/65/83/80/508658380.db2.gz FNPSOWUMEOQMQG-ZWNOBZJWSA-N -1 3 354.428 2.549 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC000161010419 509059233 /nfs/dbraw/zinc/05/92/33/509059233.db2.gz LGDYITVBTUKNPQ-NSHDSACASA-N -1 3 371.462 2.635 20 30 FFEDHM CN(CCC#N)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000161039165 509063126 /nfs/dbraw/zinc/06/31/26/509063126.db2.gz FHTRZCPLBLUYKV-UHFFFAOYSA-N -1 3 369.512 2.735 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(-c2ccccc2)no1 ZINC000375644689 512435337 /nfs/dbraw/zinc/43/53/37/512435337.db2.gz YXGNTTAUUKOIJR-NSHDSACASA-N -1 3 374.447 2.752 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000133049340 509109484 /nfs/dbraw/zinc/10/94/84/509109484.db2.gz IWHYBZQQKPNPRZ-UHFFFAOYSA-N -1 3 354.255 2.873 20 30 FFEDHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156169319 509138124 /nfs/dbraw/zinc/13/81/24/509138124.db2.gz RUVHVJNFXZALBG-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CCCC#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175867239 509188599 /nfs/dbraw/zinc/18/85/99/509188599.db2.gz SORSWKKGXXYCEQ-SNVBAGLBSA-N -1 3 354.819 2.674 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cs1 ZINC000267629401 509573267 /nfs/dbraw/zinc/57/32/67/509573267.db2.gz NGNFQIJLSRJKAO-VIFPVBQESA-N -1 3 371.871 2.854 20 30 FFEDHM CCc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c([O-])c1 ZINC000189580972 509648106 /nfs/dbraw/zinc/64/81/06/509648106.db2.gz PBGZVALNZODDRV-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000179953805 509685396 /nfs/dbraw/zinc/68/53/96/509685396.db2.gz KFBNTLNXWLBMRX-LBPRGKRZSA-N -1 3 358.529 2.696 20 30 FFEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CC#N)cc1Cl ZINC000176855140 509728846 /nfs/dbraw/zinc/72/88/46/509728846.db2.gz IVRJALPRVHOLHZ-ZETCQYMHSA-N -1 3 367.652 2.692 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000180174586 509795025 /nfs/dbraw/zinc/79/50/25/509795025.db2.gz RLUPNAVEXOMPCN-IUODEOHRSA-N -1 3 372.899 2.545 20 30 FFEDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3cccc(Cl)c3C#N)nc12 ZINC000180245356 509830347 /nfs/dbraw/zinc/83/03/47/509830347.db2.gz IKLAHVSQVQIZMF-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000174042669 509921997 /nfs/dbraw/zinc/92/19/97/509921997.db2.gz HPCMYYOIIVASHN-NSHDSACASA-N -1 3 372.381 2.787 20 30 FFEDHM COCc1nc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n[n-]1 ZINC000268496376 509968301 /nfs/dbraw/zinc/96/83/01/509968301.db2.gz QMUKPWXMLJEGAV-MRVPVSSYSA-N -1 3 351.819 2.595 20 30 FFEDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000190253633 510029052 /nfs/dbraw/zinc/02/90/52/510029052.db2.gz XWFWLLYLEYUHPP-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CC(C)(C#N)c1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000193822389 510086611 /nfs/dbraw/zinc/08/66/11/510086611.db2.gz KMPHXHWWVXQFHY-UHFFFAOYSA-N -1 3 366.421 2.745 20 30 FFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000187245618 510146266 /nfs/dbraw/zinc/14/62/66/510146266.db2.gz HYYHNGSXGNFREW-JSGCOSHPSA-N -1 3 372.874 2.726 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1cc(C)cc(C)c1 ZINC000184261220 510226244 /nfs/dbraw/zinc/22/62/44/510226244.db2.gz CZEAODUJZGPSCQ-GOSISDBHSA-N -1 3 372.446 2.509 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(F)nc2)C1=O ZINC000194360728 510327638 /nfs/dbraw/zinc/32/76/38/510327638.db2.gz OMBLZLNRZWWHGS-KRWDZBQOSA-N -1 3 350.394 2.537 20 30 FFEDHM N#CC(=C([O-])c1ccc2nncn2c1)c1nc2ccccc2n1C(F)F ZINC000172021969 510504722 /nfs/dbraw/zinc/50/47/22/510504722.db2.gz NTIATNMZFWOREH-NSHDSACASA-N -1 3 352.304 2.964 20 30 FFEDHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184940557 510596207 /nfs/dbraw/zinc/59/62/07/510596207.db2.gz RMHXPWOAYWRGNI-GFCCVEGCSA-N -1 3 351.859 2.850 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000270056406 510654133 /nfs/dbraw/zinc/65/41/33/510654133.db2.gz PBSDUDBBVBSSAW-UHFFFAOYSA-N -1 3 367.405 2.511 20 30 FFEDHM C=CCN(C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OCC)C1CC1 ZINC000276104345 510928065 /nfs/dbraw/zinc/92/80/65/510928065.db2.gz NVPRSZRLJBLIHB-UHFFFAOYSA-N -1 3 362.451 2.918 20 30 FFEDHM O=C(CN1CC(=O)[N-]C1=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000330289895 510958367 /nfs/dbraw/zinc/95/83/67/510958367.db2.gz FITKLVWGXOFTNP-UHFFFAOYSA-N -1 3 357.414 2.858 20 30 FFEDHM C=CCC1(c2nc(-c3cccc([C@]4(C)NC(=O)[N-]C4=O)c3)no2)CCC1 ZINC000289060690 511093646 /nfs/dbraw/zinc/09/36/46/511093646.db2.gz YUEFJYYFFJPVLD-SFHVURJKSA-N -1 3 352.394 2.789 20 30 FFEDHM CNC(=O)c1ccc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000298268327 511230454 /nfs/dbraw/zinc/23/04/54/511230454.db2.gz CDPHHHPPXZXRGD-UHFFFAOYSA-N -1 3 366.421 2.515 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc(N3CCCC3=O)c2)c1[O-] ZINC000299259565 511569891 /nfs/dbraw/zinc/56/98/91/511569891.db2.gz FPXUDQFMVCANTR-XIJPWPHISA-N -1 3 353.422 2.895 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2cccc(C(=O)N3CCSCC3)c2)c1[O-] ZINC000299427219 511632016 /nfs/dbraw/zinc/63/20/16/511632016.db2.gz AASUZMUCJADNOK-SRZZPIQSSA-N -1 3 371.462 2.528 20 30 FFEDHM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328644010 511906376 /nfs/dbraw/zinc/90/63/76/511906376.db2.gz FSASAJWNPCBPHP-LLVKDONJSA-N -1 3 361.421 2.952 20 30 FFEDHM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328644010 511906384 /nfs/dbraw/zinc/90/63/84/511906384.db2.gz FSASAJWNPCBPHP-LLVKDONJSA-N -1 3 361.421 2.952 20 30 FFEDHM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328644010 511906389 /nfs/dbraw/zinc/90/63/89/511906389.db2.gz FSASAJWNPCBPHP-LLVKDONJSA-N -1 3 361.421 2.952 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000293541292 512001935 /nfs/dbraw/zinc/00/19/35/512001935.db2.gz URGZBVCIYMDREA-GFCCVEGCSA-N -1 3 351.428 2.692 20 30 FFEDHM COCCC1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CCC1 ZINC000351261323 512002124 /nfs/dbraw/zinc/00/21/24/512002124.db2.gz UHCAEGONZVPFLF-UHFFFAOYSA-N -1 3 356.426 2.902 20 30 FFEDHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC(=O)N1 ZINC000329363158 512034639 /nfs/dbraw/zinc/03/46/39/512034639.db2.gz ZJCPMLDBHQFTPY-NXEZZACHSA-N -1 3 369.418 2.609 20 30 FFEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)s1 ZINC000329781220 512096946 /nfs/dbraw/zinc/09/69/46/512096946.db2.gz SNGHKNXACFWMJL-YNEHKIRRSA-N -1 3 371.528 2.629 20 30 FFEDHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N[C@@H]3C=CCCC3)cc(C3CC3)nc21 ZINC000329839357 512103206 /nfs/dbraw/zinc/10/32/06/512103206.db2.gz NTUWUZUXDHWHAS-GFCCVEGCSA-N -1 3 354.410 2.808 20 30 FFEDHM N#Cc1ccc(N2CCC(NC(=O)c3cc([O-])ccc3Cl)CC2)nc1 ZINC000377797815 512455110 /nfs/dbraw/zinc/45/51/10/512455110.db2.gz AAZXSWHUSRCTAG-UHFFFAOYSA-N -1 3 356.813 2.711 20 30 FFEDHM COCC[C@@H]1CCCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000369947750 512695266 /nfs/dbraw/zinc/69/52/66/512695266.db2.gz YZZPMHKOGUDGAP-INIZCTEOSA-N -1 3 359.470 2.874 20 30 FFEDHM CCN(C[C@H](C)C#N)S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000369947324 512695603 /nfs/dbraw/zinc/69/56/03/512695603.db2.gz GCVRBNBEQNGTHH-UKRRQHHQSA-N -1 3 364.496 2.548 20 30 FFEDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000376359076 512784653 /nfs/dbraw/zinc/78/46/53/512784653.db2.gz MAOPHLYYKMQIQN-BLLLJJGKSA-N -1 3 365.480 2.574 20 30 FFEDHM C[C@@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374700813 512962766 /nfs/dbraw/zinc/96/27/66/512962766.db2.gz OJQFFLFMRFBRKL-CYBMUJFWSA-N -1 3 374.400 2.516 20 30 FFEDHM COCCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)C[C@@H](C)C3)nn1 ZINC000415760095 513413006 /nfs/dbraw/zinc/41/30/06/513413006.db2.gz JRWYCNGNNNHJPK-MNOVXSKESA-N -1 3 359.455 2.796 20 30 FFEDHM C=CCC1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCOCC1 ZINC000425156586 513430893 /nfs/dbraw/zinc/43/08/93/513430893.db2.gz MWWZATDTSZEDKX-UHFFFAOYSA-N -1 3 356.382 2.718 20 30 FFEDHM Cc1noc(C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccccc2)n1 ZINC000435419015 513576727 /nfs/dbraw/zinc/57/67/27/513576727.db2.gz SQUKGDLWNQEZHY-CQSZACIVSA-N -1 3 374.447 2.574 20 30 FFEDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)s2)n1 ZINC000435424082 513579627 /nfs/dbraw/zinc/57/96/27/513579627.db2.gz UBVRZYMELNDTKO-UHFFFAOYSA-N -1 3 351.453 2.671 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)s1 ZINC000435432986 513584012 /nfs/dbraw/zinc/58/40/12/513584012.db2.gz PPNHFICAGKHUOQ-UHFFFAOYSA-N -1 3 353.372 2.574 20 30 FFEDHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435439660 513589707 /nfs/dbraw/zinc/58/97/07/513589707.db2.gz UHQBTBUHPBDOAX-MEDUHNTESA-N -1 3 366.464 2.683 20 30 FFEDHM Cc1ccccc1[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1)N(C)C ZINC000435443418 513591871 /nfs/dbraw/zinc/59/18/71/513591871.db2.gz QNVAUIQMHCQLRL-SUMWQHHRSA-N -1 3 363.508 2.898 20 30 FFEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000447884329 513615369 /nfs/dbraw/zinc/61/53/69/513615369.db2.gz XBCDFVZYFXPISW-ZDUSSCGKSA-N -1 3 357.845 2.899 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1OC(F)(F)F ZINC000442239048 513688435 /nfs/dbraw/zinc/68/84/35/513688435.db2.gz KAQCUBAJQORFQU-LBPRGKRZSA-N -1 3 364.345 2.768 20 30 FFEDHM COC1(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)CCC(C)CC1 ZINC000451488828 513782499 /nfs/dbraw/zinc/78/24/99/513782499.db2.gz GXQFODGHUJJAFU-UHFFFAOYSA-N -1 3 354.447 2.712 20 30 FFEDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1 ZINC000416472108 513790430 /nfs/dbraw/zinc/79/04/30/513790430.db2.gz MGMORIRMHFVYBH-GFCCVEGCSA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3cccc(Cl)c3C#N)nc2c1 ZINC000443007399 513840674 /nfs/dbraw/zinc/84/06/74/513840674.db2.gz NXMQVMLRQURNOX-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443066358 513860295 /nfs/dbraw/zinc/86/02/95/513860295.db2.gz HLWGPSFOSHSJSM-STQMWFEESA-N -1 3 355.891 2.753 20 30 FFEDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OC ZINC000451640308 513880657 /nfs/dbraw/zinc/88/06/57/513880657.db2.gz OTGNBIZEVKZEBO-LLVKDONJSA-N -1 3 350.362 2.670 20 30 FFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1C ZINC000443222680 513904722 /nfs/dbraw/zinc/90/47/22/513904722.db2.gz FBEHRFKFPXDWAY-UHFFFAOYSA-N -1 3 351.428 2.820 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000443321597 513934593 /nfs/dbraw/zinc/93/45/93/513934593.db2.gz QCVXMRCHQZNOEW-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443352768 513947360 /nfs/dbraw/zinc/94/73/60/513947360.db2.gz PCBOFIGFRNSYDF-CQSZACIVSA-N -1 3 364.854 2.748 20 30 FFEDHM N#Cc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436775601 513975290 /nfs/dbraw/zinc/97/52/90/513975290.db2.gz QSLKMSKJNMQQFN-UHFFFAOYSA-N -1 3 364.405 2.690 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(F)c1 ZINC000443481539 513976923 /nfs/dbraw/zinc/97/69/23/513976923.db2.gz DZWBTJJGUVNOJA-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM N#Cc1ccc(NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1[N+](=O)[O-] ZINC000436943201 514044130 /nfs/dbraw/zinc/04/41/30/514044130.db2.gz KZTJITDBYUDNDZ-UHFFFAOYSA-N -1 3 366.377 2.889 20 30 FFEDHM N#Cc1cccc(NCC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000426905356 514070874 /nfs/dbraw/zinc/07/08/74/514070874.db2.gz QYIOBIMOPRCZDG-UHFFFAOYSA-N -1 3 353.332 2.699 20 30 FFEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427114986 514121108 /nfs/dbraw/zinc/12/11/08/514121108.db2.gz SDZOIGHMFYZCIP-UHFFFAOYSA-N -1 3 367.789 2.511 20 30 FFEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000427137419 514127387 /nfs/dbraw/zinc/12/73/87/514127387.db2.gz SAULNUWHSKPWGC-UHFFFAOYSA-N -1 3 363.333 2.508 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000432284540 514147666 /nfs/dbraw/zinc/14/76/66/514147666.db2.gz IMPGYKDUKYEHTI-SFHVURJKSA-N -1 3 374.437 2.880 20 30 FFEDHM CCc1[n-][nH]c(=NC(=O)c2cc(C#N)oc2C)c1-c1ccc2c(c1)OCO2 ZINC000437585468 514187676 /nfs/dbraw/zinc/18/76/76/514187676.db2.gz AWZCOPXFPSVZDG-UHFFFAOYSA-N -1 3 364.361 2.815 20 30 FFEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000432528720 514219229 /nfs/dbraw/zinc/21/92/29/514219229.db2.gz VZPWPZBEQGVPBD-QMMMGPOBSA-N -1 3 372.269 2.763 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1cccc(O)c1 ZINC000427641033 514274018 /nfs/dbraw/zinc/27/40/18/514274018.db2.gz ZZKSCWUDEWDGPT-LBPRGKRZSA-N -1 3 353.422 2.661 20 30 FFEDHM Cc1c([N-]S(=O)(=O)CCOC(C)C)ccc(Br)c1C#N ZINC000424069236 514367855 /nfs/dbraw/zinc/36/78/55/514367855.db2.gz PHDOKMSPLXWSIO-UHFFFAOYSA-N -1 3 361.261 2.796 20 30 FFEDHM N#CCCC[C@@H](N)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000424112760 514386272 /nfs/dbraw/zinc/38/62/72/514386272.db2.gz KSUJBXPAXGJGPL-GFCCVEGCSA-N -1 3 352.225 2.765 20 30 FFEDHM CC(C)C[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2cccnc2C#N)ccn1 ZINC000428267307 514436774 /nfs/dbraw/zinc/43/67/74/514436774.db2.gz VTOBKMYLPYOXOK-AWEZNQCLSA-N -1 3 374.466 2.640 20 30 FFEDHM Cc1ccccc1O[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428383216 514462634 /nfs/dbraw/zinc/46/26/34/514462634.db2.gz UPAQUNNEWCFWBY-CRAIPNDOSA-N -1 3 371.462 2.930 20 30 FFEDHM COc1ccccc1C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)C(C)C ZINC000428394615 514465132 /nfs/dbraw/zinc/46/51/32/514465132.db2.gz WAZNAVACSCYALS-OAHLLOKOSA-N -1 3 359.451 2.507 20 30 FFEDHM C=C(C)CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000452727240 514475856 /nfs/dbraw/zinc/47/58/56/514475856.db2.gz XWJYECXVBLPXKD-UHFFFAOYSA-N -1 3 370.521 2.984 20 30 FFEDHM CCCn1c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n[n-]c1=O ZINC000484489238 514666733 /nfs/dbraw/zinc/66/67/33/514666733.db2.gz NDSFLAMFVKLIAI-CQSZACIVSA-N -1 3 357.439 2.553 20 30 FFEDHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)CCO2 ZINC000466525115 514673784 /nfs/dbraw/zinc/67/37/84/514673784.db2.gz HLGLQGZEOCTMOD-HNNXBMFYSA-N -1 3 362.382 2.508 20 30 FFEDHM Cn1c2cc([O-])c(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2n(C)c1=O ZINC000461626956 514674836 /nfs/dbraw/zinc/67/48/36/514674836.db2.gz MUIFSGVWNJWMPJ-CQSZACIVSA-N -1 3 364.405 2.609 20 30 FFEDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c(Cl)c1 ZINC000508134435 514681930 /nfs/dbraw/zinc/68/19/30/514681930.db2.gz VEXBSULNCVKQPG-UHFFFAOYSA-N -1 3 365.798 2.503 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)c1 ZINC000475803449 514817440 /nfs/dbraw/zinc/81/74/40/514817440.db2.gz DAMQZURNJVDIJO-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000466912260 514823602 /nfs/dbraw/zinc/82/36/02/514823602.db2.gz HDRJTXSZTUTULK-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM N#Cc1cccnc1N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000471626126 514960422 /nfs/dbraw/zinc/96/04/22/514960422.db2.gz OZNKPSUNTVSDKU-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(=O)NC(C)C)cc3)nc1-2 ZINC000503407989 515022147 /nfs/dbraw/zinc/02/21/47/515022147.db2.gz SJTWABVRDWTIBT-OAHLLOKOSA-N -1 3 361.405 2.895 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@](C)(C#N)CC)c(F)cc1F ZINC000509142661 515042635 /nfs/dbraw/zinc/04/26/35/515042635.db2.gz XBDGFCAXNDPOQZ-HNNXBMFYSA-N -1 3 359.398 2.995 20 30 FFEDHM C=CCC1(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCCCC1 ZINC000456370098 515134805 /nfs/dbraw/zinc/13/48/05/515134805.db2.gz REIPQAZZOIJALC-AWEZNQCLSA-N -1 3 368.474 2.888 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000462787580 515244191 /nfs/dbraw/zinc/24/41/91/515244191.db2.gz CAKBHMHVTZFSBD-UHFFFAOYSA-N -1 3 365.817 2.970 20 30 FFEDHM N#Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)nc2ccccc12 ZINC000462790807 515247740 /nfs/dbraw/zinc/24/77/40/515247740.db2.gz IZJMURCASBNLOE-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F ZINC000486581373 515547753 /nfs/dbraw/zinc/54/77/53/515547753.db2.gz AYWHHZWYJFJRPC-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CN(C(=O)c1ccc(C#N)c([O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000457063255 515618868 /nfs/dbraw/zinc/61/88/68/515618868.db2.gz FECBANYMIFWDLH-UHFFFAOYSA-N -1 3 355.360 2.753 20 30 FFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000493412673 515628898 /nfs/dbraw/zinc/62/88/98/515628898.db2.gz NMBCAEGSMNZSLO-OAHLLOKOSA-N -1 3 371.886 2.980 20 30 FFEDHM CC1(C#N)CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000482643982 515750107 /nfs/dbraw/zinc/75/01/07/515750107.db2.gz CCCDDJKAYQKUSE-UHFFFAOYSA-N -1 3 373.409 2.612 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1c(F)cncc1F ZINC000511044168 515756030 /nfs/dbraw/zinc/75/60/30/515756030.db2.gz OJAAPFAKIDZTBO-QMMMGPOBSA-N -1 3 357.769 2.924 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1 ZINC000473921821 515803008 /nfs/dbraw/zinc/80/30/08/515803008.db2.gz WROQPBIEQYUMRF-INIZCTEOSA-N -1 3 371.453 2.625 20 30 FFEDHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1F ZINC000478695586 515928066 /nfs/dbraw/zinc/92/80/66/515928066.db2.gz PFBVTLLCEZRMGO-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1F ZINC000478699935 515930719 /nfs/dbraw/zinc/93/07/19/515930719.db2.gz SAKMHOUMPACUJS-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(C)C ZINC000478763629 515954450 /nfs/dbraw/zinc/95/44/50/515954450.db2.gz VWUGRKXOJQOREV-INIZCTEOSA-N -1 3 372.874 2.858 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483573762 516136808 /nfs/dbraw/zinc/13/68/08/516136808.db2.gz MKLOPLGPCUGTAN-UHFFFAOYSA-N -1 3 369.347 2.730 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483573762 516136819 /nfs/dbraw/zinc/13/68/19/516136819.db2.gz MKLOPLGPCUGTAN-UHFFFAOYSA-N -1 3 369.347 2.730 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483573762 516136828 /nfs/dbraw/zinc/13/68/28/516136828.db2.gz MKLOPLGPCUGTAN-UHFFFAOYSA-N -1 3 369.347 2.730 20 30 FFEDHM COc1ccc2[nH]nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2c1 ZINC000496318416 516251557 /nfs/dbraw/zinc/25/15/57/516251557.db2.gz CXELAFFRVAVTSG-UHFFFAOYSA-N -1 3 365.393 2.732 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@H](C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000460938016 516285941 /nfs/dbraw/zinc/28/59/41/516285941.db2.gz SNSHRYMAODEFLK-DOTOQJQBSA-N -1 3 351.468 2.534 20 30 FFEDHM CCn1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(=O)c2ccccc21 ZINC000522862686 516335137 /nfs/dbraw/zinc/33/51/37/516335137.db2.gz DWDMYEQIDRATTJ-CYBMUJFWSA-N -1 3 357.373 2.783 20 30 FFEDHM CCn1cc(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)nc1C ZINC000540001183 516395626 /nfs/dbraw/zinc/39/56/26/516395626.db2.gz UZSIZPBEEZRQNN-ZDUSSCGKSA-N -1 3 372.372 2.773 20 30 FFEDHM N#CCCSc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000523458603 516476957 /nfs/dbraw/zinc/47/69/57/516476957.db2.gz NOIAWIJQJYNSIP-UHFFFAOYSA-N -1 3 373.409 2.792 20 30 FFEDHM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C[C@@H](C)O1 ZINC000517897174 516484197 /nfs/dbraw/zinc/48/41/97/516484197.db2.gz UVZSEQWXLBNVDB-NXEZZACHSA-N -1 3 373.272 2.555 20 30 FFEDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c1 ZINC000543896388 516486672 /nfs/dbraw/zinc/48/66/72/516486672.db2.gz CSGTYRAODOZAIT-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1 ZINC000551019898 516526941 /nfs/dbraw/zinc/52/69/41/516526941.db2.gz SZDGNEFFQOKTRM-UHFFFAOYSA-N -1 3 373.482 2.732 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CCC1 ZINC000547785605 516561964 /nfs/dbraw/zinc/56/19/64/516561964.db2.gz WZSZEYDVNUWKKJ-HOTGVXAUSA-N -1 3 352.431 2.659 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)s1 ZINC000551207715 516606108 /nfs/dbraw/zinc/60/61/08/516606108.db2.gz RIXXHIFHILVCOF-UHFFFAOYSA-N -1 3 350.450 2.550 20 30 FFEDHM COc1ccc([O-])c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000518336269 516618559 /nfs/dbraw/zinc/61/85/59/516618559.db2.gz KVXJKBSSONTMDH-CQSZACIVSA-N -1 3 369.396 2.810 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c(F)c1 ZINC000524149564 516653827 /nfs/dbraw/zinc/65/38/27/516653827.db2.gz XCBPXYIFFMFHRH-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000558483456 516771327 /nfs/dbraw/zinc/77/13/27/516771327.db2.gz RKDPYLBLOUXDAH-CYBMUJFWSA-N -1 3 369.368 2.653 20 30 FFEDHM C=CC[C@@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000562079060 516910558 /nfs/dbraw/zinc/91/05/58/516910558.db2.gz GIQFVFOHJDSCNQ-CQSZACIVSA-N -1 3 374.528 2.861 20 30 FFEDHM CCCCCn1nc(C([O-])=C(C#N)c2ccncn2)c2ccccc2c1=O ZINC000544816784 516941644 /nfs/dbraw/zinc/94/16/44/516941644.db2.gz HODQKPATFCHALR-MRXNPFEDSA-N -1 3 361.405 2.867 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(S(=O)(=O)CC3CC3)cc2)nc(C)n1 ZINC000514712842 517018400 /nfs/dbraw/zinc/01/84/00/517018400.db2.gz CIYZCGXSAPIGSC-KRWDZBQOSA-N -1 3 369.446 2.767 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)nc2ccccc12 ZINC000532775435 517139502 /nfs/dbraw/zinc/13/95/02/517139502.db2.gz VNYQNHBQEKERAH-UHFFFAOYSA-N -1 3 372.837 2.942 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2cn3ccc(Br)cc3n2)nc(C)n1 ZINC000552243803 517158798 /nfs/dbraw/zinc/15/87/98/517158798.db2.gz LYDVFCXGYCURTM-GFCCVEGCSA-N -1 3 370.210 2.994 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn(CC4(C)COC4)nn3)sc2C1 ZINC000545337971 517183031 /nfs/dbraw/zinc/18/30/31/517183031.db2.gz LLPKMQJCACKTEL-LLVKDONJSA-N -1 3 371.466 2.625 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1ccncn1 ZINC000545445776 517243410 /nfs/dbraw/zinc/24/34/10/517243410.db2.gz JTNQWRKCOKOQNF-JTQLQIEISA-N -1 3 361.283 2.584 20 30 FFEDHM COc1cccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1[O-] ZINC000526121934 517355929 /nfs/dbraw/zinc/35/59/29/517355929.db2.gz FWDKLRGAZLADBI-UHFFFAOYSA-N -1 3 367.405 2.787 20 30 FFEDHM CSc1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccn1 ZINC000537921616 517405924 /nfs/dbraw/zinc/40/59/24/517405924.db2.gz NXYKUNVEQQWTHY-UHFFFAOYSA-N -1 3 356.451 2.642 20 30 FFEDHM C=CCOc1cccnc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000538253273 517524292 /nfs/dbraw/zinc/52/42/92/517524292.db2.gz UURDJGNDGOKFAG-UHFFFAOYSA-N -1 3 357.322 2.594 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1noc(Cc2ccccc2)n1 ZINC000546074278 517528540 /nfs/dbraw/zinc/52/85/40/517528540.db2.gz NQACRGDTGJBVGC-CQSZACIVSA-N -1 3 374.466 2.725 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000546075438 517530099 /nfs/dbraw/zinc/53/00/99/517530099.db2.gz LMUJQMJRSDZOML-CJNGLKHVSA-N -1 3 354.447 2.905 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c(F)c1 ZINC000556671501 517556481 /nfs/dbraw/zinc/55/64/81/517556481.db2.gz MKQZUMHAVCUHJC-YJBOKZPZSA-N -1 3 360.410 2.753 20 30 FFEDHM CC1=CCN(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000546535301 517714003 /nfs/dbraw/zinc/71/40/03/517714003.db2.gz OQLWFYMOWLZQHE-UHFFFAOYSA-N -1 3 373.400 2.507 20 30 FFEDHM CCc1cccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1[O-] ZINC000530639893 517895407 /nfs/dbraw/zinc/89/54/07/517895407.db2.gz VPPWYADIWCQNOL-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000539219639 517951813 /nfs/dbraw/zinc/95/18/13/517951813.db2.gz RUUGKOHPZGFOBT-LLVKDONJSA-N -1 3 372.899 2.926 20 30 FFEDHM CC1(C2([N-]S(=O)(=O)c3cc(Br)ccc3C#N)CC2)CC1 ZINC000567360502 518484672 /nfs/dbraw/zinc/48/46/72/518484672.db2.gz LMNMYSPBXFWLQG-UHFFFAOYSA-N -1 3 355.257 2.932 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)ccc1C#N ZINC000576316132 518531081 /nfs/dbraw/zinc/53/10/81/518531081.db2.gz AXVQKLLGJRUGAQ-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000576868610 518803194 /nfs/dbraw/zinc/80/31/94/518803194.db2.gz SWOSPBAGLKMDBD-AWEZNQCLSA-N -1 3 373.416 2.558 20 30 FFEDHM COC(=O)C(C)(C)[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1 ZINC000589224845 518956222 /nfs/dbraw/zinc/95/62/22/518956222.db2.gz GHVZGIILHXLVPQ-OAHLLOKOSA-N -1 3 364.467 2.540 20 30 FFEDHM CC[C@@]1(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)OCCc2ccccc21 ZINC000589235951 518960400 /nfs/dbraw/zinc/96/04/00/518960400.db2.gz QLHRHJNHVWMCET-FQEVSTJZSA-N -1 3 370.474 2.856 20 30 FFEDHM C[C@@]1(c2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2)NC(=O)[N-]C1=O ZINC000568449646 519042580 /nfs/dbraw/zinc/04/25/80/519042580.db2.gz NQTZYFZGRMCWIG-SFHVURJKSA-N -1 3 368.780 2.519 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)CC2(C#N)CC2)c(F)cc1F ZINC000590207164 519173687 /nfs/dbraw/zinc/17/36/87/519173687.db2.gz YAZDXLQVEADOKM-UHFFFAOYSA-N -1 3 357.382 2.749 20 30 FFEDHM C[C@]1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCN(Cc2ccccc2)C1 ZINC000580573877 519247120 /nfs/dbraw/zinc/24/71/20/519247120.db2.gz QDYTVYDKMZZNBF-IBGZPJMESA-N -1 3 373.453 2.640 20 30 FFEDHM C=CCCC1(c2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)CC1 ZINC000577798626 519259403 /nfs/dbraw/zinc/25/94/03/519259403.db2.gz ZVWOSKLYQBTCIB-GOSISDBHSA-N -1 3 352.394 2.789 20 30 FFEDHM COc1cccc([C@@H]2C[C@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000590880019 519418995 /nfs/dbraw/zinc/41/89/95/519418995.db2.gz WWIKEPWXVOMGRV-PKOBYXMFSA-N -1 3 365.433 2.889 20 30 FFEDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000583884084 519484645 /nfs/dbraw/zinc/48/46/45/519484645.db2.gz VZNAHKYSCWJTOO-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM C=CCCOCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000608362395 519949521 /nfs/dbraw/zinc/94/95/21/519949521.db2.gz XJODFLCICJNHAP-UHFFFAOYSA-N -1 3 369.194 2.905 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@@H]12 ZINC000594485104 519995642 /nfs/dbraw/zinc/99/56/42/519995642.db2.gz WKKMTQSCJVZFNB-GJZGRUSLSA-N -1 3 353.875 2.507 20 30 FFEDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594757614 520139189 /nfs/dbraw/zinc/13/91/89/520139189.db2.gz IFYQNXWPUNZJIS-IINYFYTJSA-N -1 3 352.481 2.767 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@@H]1C ZINC000594776617 520150434 /nfs/dbraw/zinc/15/04/34/520150434.db2.gz HMCQJBXGBZGBIN-APPDUMDISA-N -1 3 364.492 2.911 20 30 FFEDHM C[C@@H](NC(=O)CC1(C#N)CCCCC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000597652158 520159219 /nfs/dbraw/zinc/15/92/19/520159219.db2.gz INLFGNSJFSPWDZ-ZIAGYGMSSA-N -1 3 358.442 2.731 20 30 FFEDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1 ZINC000594851188 520187293 /nfs/dbraw/zinc/18/72/93/520187293.db2.gz HBSVENLNZYJAPL-ZWNOBZJWSA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592108110 520188363 /nfs/dbraw/zinc/18/83/63/520188363.db2.gz KPVITAJOXYLWEW-GMTAPVOTSA-N -1 3 355.257 2.788 20 30 FFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000609543121 520351547 /nfs/dbraw/zinc/35/15/47/520351547.db2.gz QTWBOAMHIRATHO-UHFFFAOYSA-N -1 3 362.407 2.947 20 30 FFEDHM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)C[C@H]3CCCO3)cn2)c1 ZINC000609819081 520443293 /nfs/dbraw/zinc/44/32/93/520443293.db2.gz QMVWHRGEUKGFCC-MRXNPFEDSA-N -1 3 359.407 2.666 20 30 FFEDHM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)C[C@@H]3CCCO3)cn2)cc1 ZINC000609819158 520443860 /nfs/dbraw/zinc/44/38/60/520443860.db2.gz ZFCMCJLYGAIPNR-INIZCTEOSA-N -1 3 359.407 2.666 20 30 FFEDHM CC(C#N)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000609921475 520482520 /nfs/dbraw/zinc/48/25/20/520482520.db2.gz ZXCIEECQEBJLKW-CQSZACIVSA-N -1 3 357.435 2.605 20 30 FFEDHM N#CC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCCCC1 ZINC000598310134 520551681 /nfs/dbraw/zinc/55/16/81/520551681.db2.gz CZYWJAQRCILJFY-MRXNPFEDSA-N -1 3 355.438 2.587 20 30 FFEDHM Cc1nc([N-]C(=O)c2coc(-c3ccccc3)n2)n(-c2ccc(C#N)cc2)n1 ZINC000610233306 520592730 /nfs/dbraw/zinc/59/27/30/520592730.db2.gz YXSVZGVBNXYYON-UHFFFAOYSA-N -1 3 370.372 2.777 20 30 FFEDHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000610366656 520651779 /nfs/dbraw/zinc/65/17/79/520651779.db2.gz PGTXUNDINFXFSM-KSSFIOAISA-N -1 3 363.417 2.746 20 30 FFEDHM CC(C)Oc1ncccc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613911691 520724743 /nfs/dbraw/zinc/72/47/43/520724743.db2.gz UANUGDAMQUKBBU-UHFFFAOYSA-N -1 3 365.842 2.872 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000601476298 520805437 /nfs/dbraw/zinc/80/54/37/520805437.db2.gz NOYAJKVAZKOYGM-DOMZBBRYSA-N -1 3 370.402 2.706 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000601501208 520815002 /nfs/dbraw/zinc/81/50/02/520815002.db2.gz JYTCRULGSNCMFA-MCIGGMRASA-N -1 3 357.394 2.535 20 30 FFEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)CC2(C#N)CCOCC2)[n-]1 ZINC000598832769 520867291 /nfs/dbraw/zinc/86/72/91/520867291.db2.gz RLYWQLUVPDOKQY-UHFFFAOYSA-N -1 3 362.430 2.578 20 30 FFEDHM CCCCc1nc(NC(=O)CC2(C#N)CCOCC2)c(C(=O)OCC)[n-]1 ZINC000598832769 520867297 /nfs/dbraw/zinc/86/72/97/520867297.db2.gz RLYWQLUVPDOKQY-UHFFFAOYSA-N -1 3 362.430 2.578 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000593276119 520875008 /nfs/dbraw/zinc/87/50/08/520875008.db2.gz NKHLWESUHRKBCO-SNVBAGLBSA-N -1 3 356.245 2.537 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)c1 ZINC000618180042 520920047 /nfs/dbraw/zinc/92/00/47/520920047.db2.gz IWOKWWASUWABCE-AWEZNQCLSA-N -1 3 362.838 2.753 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(O)ccc3C2)c(Cl)c1 ZINC000618179849 520920444 /nfs/dbraw/zinc/92/04/44/520920444.db2.gz ANYNPAWQFZBXJA-CQSZACIVSA-N -1 3 362.838 2.753 20 30 FFEDHM CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614364998 520927370 /nfs/dbraw/zinc/92/73/70/520927370.db2.gz WDLPIZZUPMFCMA-UHFFFAOYSA-N -1 3 359.376 2.746 20 30 FFEDHM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000611016786 520948793 /nfs/dbraw/zinc/94/87/93/520948793.db2.gz SRQRBJYBAPSMRX-CQSZACIVSA-N -1 3 362.382 2.508 20 30 FFEDHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611021799 520949945 /nfs/dbraw/zinc/94/99/45/520949945.db2.gz HRCIROUPKBMOOC-MLGOLLRUSA-N -1 3 364.854 2.655 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]2CCCO[C@@H]21 ZINC000611024997 520952065 /nfs/dbraw/zinc/95/20/65/520952065.db2.gz VDBNTBXIBKVSAI-YUELXQCFSA-N -1 3 354.859 2.694 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000593572299 521085291 /nfs/dbraw/zinc/08/52/91/521085291.db2.gz HYNFQLSGHUHWEQ-LBPRGKRZSA-N -1 3 367.883 2.830 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000618602791 521139744 /nfs/dbraw/zinc/13/97/44/521139744.db2.gz MCYSCAFQZIJWRK-LBPRGKRZSA-N -1 3 350.362 2.943 20 30 FFEDHM COc1cccc([C@@H](C[N-]S(=O)(=O)CC2(C#N)CCCCC2)OC)c1 ZINC000599363498 521176134 /nfs/dbraw/zinc/17/61/34/521176134.db2.gz QPMNEYHIPMYGIT-QGZVFWFLSA-N -1 3 366.483 2.776 20 30 FFEDHM CSc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000596658766 521195837 /nfs/dbraw/zinc/19/58/37/521195837.db2.gz OAZHBBLRTMZJBQ-UHFFFAOYSA-N -1 3 367.474 2.944 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000599409125 521203675 /nfs/dbraw/zinc/20/36/75/521203675.db2.gz HHZPPYQKOSOPII-KGLIPLIRSA-N -1 3 371.466 2.961 20 30 FFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C[C@@H]4CCOC4)nn3)sc2C1 ZINC000602231965 521224047 /nfs/dbraw/zinc/22/40/47/521224047.db2.gz SPBVAIPZSBABNI-RYUDHWBXSA-N -1 3 371.466 2.625 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)CC2(C#N)CCCCC2)ccc1F ZINC000596709184 521237265 /nfs/dbraw/zinc/23/72/65/521237265.db2.gz FCMJOFYETQCLEA-UHFFFAOYSA-N -1 3 353.419 3.000 20 30 FFEDHM COc1c(C)cccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000594109823 521410346 /nfs/dbraw/zinc/41/03/46/521410346.db2.gz LTQITMRWLBBBGD-UHFFFAOYSA-N -1 3 353.422 2.842 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CNc2ccccc21 ZINC000602593059 521428287 /nfs/dbraw/zinc/42/82/87/521428287.db2.gz HCQLDCKLUKZZOM-HNNXBMFYSA-N -1 3 364.449 2.924 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CCCC2=O)CC1 ZINC000619333566 521529403 /nfs/dbraw/zinc/52/94/03/521529403.db2.gz MEQGDUHIPMLSRY-UHFFFAOYSA-N -1 3 355.438 2.570 20 30 FFEDHM Cc1nc([N-]C(=O)[C@H]2CCc3cc(C)ccc3O2)n(-c2ccc(C#N)cc2)n1 ZINC000619517898 521604417 /nfs/dbraw/zinc/60/44/17/521604417.db2.gz FNMYDYQUHKBNCP-LJQANCHMSA-N -1 3 373.416 2.510 20 30 FFEDHM C=CCOc1ccc(CC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000636321531 522916086 /nfs/dbraw/zinc/91/60/86/522916086.db2.gz GSALSDKYGSKPFF-UHFFFAOYSA-N -1 3 353.422 2.873 20 30 FFEDHM C=CCOc1cccc([N-]S(=O)(=O)CC2(OCC)CCOCC2)c1 ZINC000625112209 523178387 /nfs/dbraw/zinc/17/83/87/523178387.db2.gz VXCTYYKGYPYPGW-UHFFFAOYSA-N -1 3 355.456 2.579 20 30 FFEDHM COC(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[n-]1 ZINC000498982025 561540036 /nfs/dbraw/zinc/54/00/36/561540036.db2.gz CTVMCKKJVUJQAZ-UHFFFAOYSA-N -1 3 369.768 2.764 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(=NC(=O)Cc2cn3ccsc3n2)[n-]1 ZINC000511723674 561879074 /nfs/dbraw/zinc/87/90/74/561879074.db2.gz LQSQNURZKNTXOW-UHFFFAOYSA-N -1 3 366.381 2.773 20 30 FFEDHM Cc1cc(C)n2[n-]c(=NC(=O)C(C#N)c3nc4ccccc4s3)nc2n1 ZINC000523228965 562210034 /nfs/dbraw/zinc/21/00/34/562210034.db2.gz KOFSCFZFULAFHJ-NSHDSACASA-N -1 3 363.406 2.597 20 30 FFEDHM C=CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000647741714 568277184 /nfs/dbraw/zinc/27/71/84/568277184.db2.gz DUVJVSZKPZYUHR-CYBMUJFWSA-N -1 3 350.465 2.634 20 30 FFEDHM C=CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735432579 598901404 /nfs/dbraw/zinc/90/14/04/598901404.db2.gz QEPTXWUHFJSOLM-LBPRGKRZSA-N -1 3 366.450 2.712 20 30 FFEDHM C=CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735432579 598901405 /nfs/dbraw/zinc/90/14/05/598901405.db2.gz QEPTXWUHFJSOLM-LBPRGKRZSA-N -1 3 366.450 2.712 20 30 FFEDHM C#CC(C)(C)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735375986 598911533 /nfs/dbraw/zinc/91/15/33/598911533.db2.gz VRCOPMOPRJAJSM-UHFFFAOYSA-N -1 3 361.405 2.587 20 30 FFEDHM C#CC(C)(C)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735375986 598911534 /nfs/dbraw/zinc/91/15/34/598911534.db2.gz VRCOPMOPRJAJSM-UHFFFAOYSA-N -1 3 361.405 2.587 20 30 FFEDHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735913914 598926112 /nfs/dbraw/zinc/92/61/12/598926112.db2.gz NMJMWHVVVIQHKA-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735913914 598926113 /nfs/dbraw/zinc/92/61/13/598926113.db2.gz NMJMWHVVVIQHKA-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1-c1nnn[n-]1 ZINC000737715551 598928728 /nfs/dbraw/zinc/92/87/28/598928728.db2.gz AYPLQKHOURYUKB-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1-c1nn[n-]n1 ZINC000737715551 598928729 /nfs/dbraw/zinc/92/87/29/598928729.db2.gz AYPLQKHOURYUKB-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM c1ccc2c(c1)CCSCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823797878 607253131 /nfs/dbraw/zinc/25/31/31/607253131.db2.gz UKLYVNJDSZMYGY-UHFFFAOYSA-N -1 3 350.451 2.650 20 30 FFEDHM c1ccc2c(c1)CCSCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823797878 607253132 /nfs/dbraw/zinc/25/31/32/607253132.db2.gz UKLYVNJDSZMYGY-UHFFFAOYSA-N -1 3 350.451 2.650 20 30 FFEDHM Cc1c(NCC(=O)N(CCC#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822116745 607257552 /nfs/dbraw/zinc/25/75/52/607257552.db2.gz XFVCTJCSLYBFDO-UHFFFAOYSA-N -1 3 361.409 2.534 20 30 FFEDHM Cc1c(NCC(=O)N(CCC#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822116745 607257553 /nfs/dbraw/zinc/25/75/53/607257553.db2.gz XFVCTJCSLYBFDO-UHFFFAOYSA-N -1 3 361.409 2.534 20 30 FFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000819751488 599114853 /nfs/dbraw/zinc/11/48/53/599114853.db2.gz VYTMWZFHXXJROX-SFHVURJKSA-N -1 3 362.393 2.628 20 30 FFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000819751488 599114854 /nfs/dbraw/zinc/11/48/54/599114854.db2.gz VYTMWZFHXXJROX-SFHVURJKSA-N -1 3 362.393 2.628 20 30 FFEDHM N#CCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822814898 599117398 /nfs/dbraw/zinc/11/73/98/599117398.db2.gz KVTMEDQNMCDVDK-XNTDXEJSSA-N -1 3 357.373 2.982 20 30 FFEDHM N#CCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822814898 599117401 /nfs/dbraw/zinc/11/74/01/599117401.db2.gz KVTMEDQNMCDVDK-XNTDXEJSSA-N -1 3 357.373 2.982 20 30 FFEDHM CC(=NNCc1ccccc1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735451265 599148277 /nfs/dbraw/zinc/14/82/77/599148277.db2.gz WAQLDAYCOZESOO-UHFFFAOYSA-N -1 3 372.436 2.875 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2cc(-c3ccccc3)on2)ccc1-c1nnn[n-]1 ZINC000737710208 599192338 /nfs/dbraw/zinc/19/23/38/599192338.db2.gz VIBPODGPOOMSJM-UHFFFAOYSA-N -1 3 371.360 2.575 20 30 FFEDHM N#Cc1cc(NC(=O)Cc2cc(-c3ccccc3)on2)ccc1-c1nn[n-]n1 ZINC000737710208 599192341 /nfs/dbraw/zinc/19/23/41/599192341.db2.gz VIBPODGPOOMSJM-UHFFFAOYSA-N -1 3 371.360 2.575 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2OCC2CC2)ccc1-c1nnn[n-]1 ZINC000737710313 599197736 /nfs/dbraw/zinc/19/77/36/599197736.db2.gz XAAYCNUHYGEMSW-UHFFFAOYSA-N -1 3 360.377 2.779 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2OCC2CC2)ccc1-c1nn[n-]n1 ZINC000737710313 599197738 /nfs/dbraw/zinc/19/77/38/599197738.db2.gz XAAYCNUHYGEMSW-UHFFFAOYSA-N -1 3 360.377 2.779 20 30 FFEDHM C[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820350433 599261687 /nfs/dbraw/zinc/26/16/87/599261687.db2.gz KSDYHWRLOWJNKG-STQMWFEESA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820350433 599261688 /nfs/dbraw/zinc/26/16/88/599261688.db2.gz KSDYHWRLOWJNKG-STQMWFEESA-N -1 3 361.409 2.860 20 30 FFEDHM CCCOc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000821134497 607316046 /nfs/dbraw/zinc/31/60/46/607316046.db2.gz XYIPNYNCZRRWTH-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM CCCOc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000821134497 607316047 /nfs/dbraw/zinc/31/60/47/607316047.db2.gz XYIPNYNCZRRWTH-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM CC(C)(C)CN(CCC#N)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735601764 598241781 /nfs/dbraw/zinc/24/17/81/598241781.db2.gz CGIXLTLKCLDDSC-UHFFFAOYSA-N -1 3 372.498 2.888 20 30 FFEDHM CC(C)(C)CN(CCC#N)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735601764 598241783 /nfs/dbraw/zinc/24/17/83/598241783.db2.gz CGIXLTLKCLDDSC-UHFFFAOYSA-N -1 3 372.498 2.888 20 30 FFEDHM C#CCOc1cccc([C@@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735381772 598433857 /nfs/dbraw/zinc/43/38/57/598433857.db2.gz ZPSLLGCOWYVRDG-CQSZACIVSA-N -1 3 362.389 2.726 20 30 FFEDHM C#CCOc1cccc([C@@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381772 598433859 /nfs/dbraw/zinc/43/38/59/598433859.db2.gz ZPSLLGCOWYVRDG-CQSZACIVSA-N -1 3 362.389 2.726 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)nc1 ZINC000737713559 598437465 /nfs/dbraw/zinc/43/74/65/598437465.db2.gz YVQLKLFNHAOJDO-UHFFFAOYSA-N -1 3 365.422 2.716 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)nc1 ZINC000737713559 598437467 /nfs/dbraw/zinc/43/74/67/598437467.db2.gz YVQLKLFNHAOJDO-UHFFFAOYSA-N -1 3 365.422 2.716 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735662229 598488456 /nfs/dbraw/zinc/48/84/56/598488456.db2.gz SUGMUCVERAPMOQ-UHFFFAOYSA-N -1 3 363.425 2.866 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735662229 598488458 /nfs/dbraw/zinc/48/84/58/598488458.db2.gz SUGMUCVERAPMOQ-UHFFFAOYSA-N -1 3 363.425 2.866 20 30 FFEDHM C#CCOc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735381732 598493196 /nfs/dbraw/zinc/49/31/96/598493196.db2.gz YVDVIZRROBVWJS-UHFFFAOYSA-N -1 3 350.407 2.688 20 30 FFEDHM C#CCOc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000735381732 598493197 /nfs/dbraw/zinc/49/31/97/598493197.db2.gz YVDVIZRROBVWJS-UHFFFAOYSA-N -1 3 350.407 2.688 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737511709 598641472 /nfs/dbraw/zinc/64/14/72/598641472.db2.gz MNHVRLGEEXCCOU-VOTSOKGWSA-N -1 3 371.832 2.514 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737511709 598641474 /nfs/dbraw/zinc/64/14/74/598641474.db2.gz MNHVRLGEEXCCOU-VOTSOKGWSA-N -1 3 371.832 2.514 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(F)c1 ZINC000737068055 599460230 /nfs/dbraw/zinc/46/02/30/599460230.db2.gz ZDGRQSLUMVVUNK-UTCJRWHESA-N -1 3 364.340 2.558 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(F)c1 ZINC000737068055 599460232 /nfs/dbraw/zinc/46/02/32/599460232.db2.gz ZDGRQSLUMVVUNK-UTCJRWHESA-N -1 3 364.340 2.558 20 30 FFEDHM Cc1ccc2c(c1C)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CO2 ZINC000737376588 599537102 /nfs/dbraw/zinc/53/71/02/599537102.db2.gz IXAUQEUCWAORLC-AUWJEWJLSA-N -1 3 372.388 2.790 20 30 FFEDHM Cc1ccc2c(c1C)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CO2 ZINC000737376588 599537103 /nfs/dbraw/zinc/53/71/03/599537103.db2.gz IXAUQEUCWAORLC-AUWJEWJLSA-N -1 3 372.388 2.790 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCN(CCC#N)CCC(C)C ZINC000821702074 599640339 /nfs/dbraw/zinc/64/03/39/599640339.db2.gz GSQCWMNJIFTUIH-UHFFFAOYSA-N -1 3 358.446 2.516 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C=Cc1ccccc1C#N ZINC000821741707 607412312 /nfs/dbraw/zinc/41/23/12/607412312.db2.gz QPWLTOMTKAXUHN-CLFYSBASSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C=Cc1ccccc1C#N ZINC000821741707 607412313 /nfs/dbraw/zinc/41/23/13/607412313.db2.gz QPWLTOMTKAXUHN-CLFYSBASSA-N -1 3 361.361 2.504 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826257321 607413772 /nfs/dbraw/zinc/41/37/72/607413772.db2.gz XJLXHYNYMVGXEP-ZDUSSCGKSA-N -1 3 363.377 2.558 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826257321 607413773 /nfs/dbraw/zinc/41/37/73/607413773.db2.gz XJLXHYNYMVGXEP-ZDUSSCGKSA-N -1 3 363.377 2.558 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000821770423 607454753 /nfs/dbraw/zinc/45/47/53/607454753.db2.gz SUNYJURQXYSJKM-YVMONPNESA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000821770423 607454754 /nfs/dbraw/zinc/45/47/54/607454754.db2.gz SUNYJURQXYSJKM-YVMONPNESA-N -1 3 354.341 2.919 20 30 FFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504408 607458736 /nfs/dbraw/zinc/45/87/36/607458736.db2.gz PZIOSUPFYFFEMK-XCVCLJGOSA-N -1 3 358.279 2.943 20 30 FFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504408 607458737 /nfs/dbraw/zinc/45/87/37/607458737.db2.gz PZIOSUPFYFFEMK-XCVCLJGOSA-N -1 3 358.279 2.943 20 30 FFEDHM C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498412 607458755 /nfs/dbraw/zinc/45/87/55/607458755.db2.gz GWYODOJAVYYOAM-CYBMUJFWSA-N -1 3 373.420 2.788 20 30 FFEDHM C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498412 607458757 /nfs/dbraw/zinc/45/87/57/607458757.db2.gz GWYODOJAVYYOAM-CYBMUJFWSA-N -1 3 373.420 2.788 20 30 FFEDHM Fc1cc(-c2nnn[n-]2)ccc1CN=Nc1nc(C(F)(F)F)cs1 ZINC000822740950 607465576 /nfs/dbraw/zinc/46/55/76/607465576.db2.gz PCTPJIKULRZGFR-UHFFFAOYSA-N -1 3 357.296 2.927 20 30 FFEDHM Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1nc(C(F)(F)F)cs1 ZINC000822740950 607465579 /nfs/dbraw/zinc/46/55/79/607465579.db2.gz PCTPJIKULRZGFR-UHFFFAOYSA-N -1 3 357.296 2.927 20 30 FFEDHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)cc1C#N ZINC000826203252 607559637 /nfs/dbraw/zinc/55/96/37/607559637.db2.gz GSKUTDDASNOQFS-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)cc1C#N ZINC000826203252 607559638 /nfs/dbraw/zinc/55/96/38/607559638.db2.gz GSKUTDDASNOQFS-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN1CCC(NC(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)CC1 ZINC000823507511 602869240 /nfs/dbraw/zinc/86/92/40/602869240.db2.gz ZKGHRJQUQOFYLT-UHFFFAOYSA-N -1 3 367.833 2.819 20 30 FFEDHM CC(C)(CCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)NC(=O)[O-] ZINC000738740473 602926074 /nfs/dbraw/zinc/92/60/74/602926074.db2.gz SXOBMQUYTYZRGK-SNVBAGLBSA-N -1 3 369.780 2.953 20 30 FFEDHM COc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000826205496 607599072 /nfs/dbraw/zinc/59/90/72/607599072.db2.gz YGKFPIIYMNMJGY-VQHVLOKHSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000826205496 607599073 /nfs/dbraw/zinc/59/90/73/607599073.db2.gz YGKFPIIYMNMJGY-VQHVLOKHSA-N -1 3 361.361 2.504 20 30 FFEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000833411919 605179506 /nfs/dbraw/zinc/17/95/06/605179506.db2.gz FRMLZUCPIZDIQA-IBGZPJMESA-N -1 3 365.433 2.616 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(C#N)cs2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015980 606305508 /nfs/dbraw/zinc/30/55/08/606305508.db2.gz RNBWMEBKZBCSSL-SNAWJCMRSA-N -1 3 350.407 2.752 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(C#N)cs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015980 606305505 /nfs/dbraw/zinc/30/55/05/606305505.db2.gz RNBWMEBKZBCSSL-SNAWJCMRSA-N -1 3 350.407 2.752 20 30 FFEDHM C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820554970 606328749 /nfs/dbraw/zinc/32/87/49/606328749.db2.gz CKABGKROOGKSEH-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820554970 606328751 /nfs/dbraw/zinc/32/87/51/606328751.db2.gz CKABGKROOGKSEH-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819701425 606351879 /nfs/dbraw/zinc/35/18/79/606351879.db2.gz GXYOKLBDIHJRDZ-UHFFFAOYSA-N -1 3 370.319 2.801 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819701425 606351881 /nfs/dbraw/zinc/35/18/81/606351881.db2.gz GXYOKLBDIHJRDZ-UHFFFAOYSA-N -1 3 370.319 2.801 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820380042 606355538 /nfs/dbraw/zinc/35/55/38/606355538.db2.gz KATAXXOWSDLLCL-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820380042 606355539 /nfs/dbraw/zinc/35/55/39/606355539.db2.gz KATAXXOWSDLLCL-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000822802009 606445568 /nfs/dbraw/zinc/44/55/68/606445568.db2.gz UDIUWFMPFMARCY-HUUCEWRRSA-N -1 3 364.434 2.840 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000822802009 606445569 /nfs/dbraw/zinc/44/55/69/606445569.db2.gz UDIUWFMPFMARCY-HUUCEWRRSA-N -1 3 364.434 2.840 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822801646 606448914 /nfs/dbraw/zinc/44/89/14/606448914.db2.gz LOVJIGSNGWZIJN-RBUKOAKNSA-N -1 3 372.432 2.708 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822801646 606448916 /nfs/dbraw/zinc/44/89/16/606448916.db2.gz LOVJIGSNGWZIJN-RBUKOAKNSA-N -1 3 372.432 2.708 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821702914 606482625 /nfs/dbraw/zinc/48/26/25/606482625.db2.gz GVCOTEOFSLWLNY-UHFFFAOYSA-N -1 3 361.770 2.681 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821702914 606482627 /nfs/dbraw/zinc/48/26/27/606482627.db2.gz GVCOTEOFSLWLNY-UHFFFAOYSA-N -1 3 361.770 2.681 20 30 FFEDHM C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820385085 606684196 /nfs/dbraw/zinc/68/41/96/606684196.db2.gz OYMQAJCASDXGOW-SECBINFHSA-N -1 3 354.320 2.508 20 30 FFEDHM C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820385085 606684197 /nfs/dbraw/zinc/68/41/97/606684197.db2.gz OYMQAJCASDXGOW-SECBINFHSA-N -1 3 354.320 2.508 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(F)cc(F)c1 ZINC000822936182 606695398 /nfs/dbraw/zinc/69/53/98/606695398.db2.gz SMMDZOWJMSQXPD-IHWYPQMZSA-N -1 3 352.304 2.689 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc(F)cc(F)c1 ZINC000822936182 606695399 /nfs/dbraw/zinc/69/53/99/606695399.db2.gz SMMDZOWJMSQXPD-IHWYPQMZSA-N -1 3 352.304 2.689 20 30 FFEDHM N#CC1(OC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCC1 ZINC000822802221 606802371 /nfs/dbraw/zinc/80/23/71/606802371.db2.gz XJJYHXBMINBXCT-UHFFFAOYSA-N -1 3 365.349 2.642 20 30 FFEDHM Cc1cc(C)c(C#N)c(SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822193080 606846155 /nfs/dbraw/zinc/84/61/55/606846155.db2.gz KUCNXRITAMPTAN-OAHLLOKOSA-N -1 3 352.423 2.576 20 30 FFEDHM Cc1cc(C)c(C#N)c(SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822193080 606846156 /nfs/dbraw/zinc/84/61/56/606846156.db2.gz KUCNXRITAMPTAN-OAHLLOKOSA-N -1 3 352.423 2.576 20 30 FFEDHM N#Cc1cn(CCCOc2cccc(-c3nnn[n-]3)c2)c2ccccc2c1=O ZINC000822842474 606867431 /nfs/dbraw/zinc/86/74/31/606867431.db2.gz KBBHVOVBSWWYSS-UHFFFAOYSA-N -1 3 372.388 2.522 20 30 FFEDHM N#Cc1cn(CCCOc2cccc(-c3nn[n-]n3)c2)c2ccccc2c1=O ZINC000822842474 606867433 /nfs/dbraw/zinc/86/74/33/606867433.db2.gz KBBHVOVBSWWYSS-UHFFFAOYSA-N -1 3 372.388 2.522 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cccc(C#N)c1 ZINC000820004945 607089244 /nfs/dbraw/zinc/08/92/44/607089244.db2.gz FZFZDRVBTXIDGO-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc(C#N)c1 ZINC000820004945 607089246 /nfs/dbraw/zinc/08/92/46/607089246.db2.gz FZFZDRVBTXIDGO-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000820005138 607089257 /nfs/dbraw/zinc/08/92/57/607089257.db2.gz KDOKNYYMDKEVSW-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820005138 607089259 /nfs/dbraw/zinc/08/92/59/607089259.db2.gz KDOKNYYMDKEVSW-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000826402103 607883855 /nfs/dbraw/zinc/88/38/55/607883855.db2.gz MYNLWEIDIMMGRN-YFHOEESVSA-N -1 3 361.405 2.599 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1 ZINC000826402103 607883856 /nfs/dbraw/zinc/88/38/56/607883856.db2.gz MYNLWEIDIMMGRN-YFHOEESVSA-N -1 3 361.405 2.599 20 30 FFEDHM COc1nc2ccccc2cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826221540 607889682 /nfs/dbraw/zinc/88/96/82/607889682.db2.gz KDQLHSPNIXLPMP-UHFFFAOYSA-N -1 3 359.393 2.547 20 30 FFEDHM COc1nc2ccccc2cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826221540 607889683 /nfs/dbraw/zinc/88/96/83/607889683.db2.gz KDQLHSPNIXLPMP-UHFFFAOYSA-N -1 3 359.393 2.547 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCSCC(C)C ZINC000823909615 607927532 /nfs/dbraw/zinc/92/75/32/607927532.db2.gz KZUWVEDIAZNALN-UHFFFAOYSA-N -1 3 374.514 2.954 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCSCC(C)C ZINC000823909615 607927533 /nfs/dbraw/zinc/92/75/33/607927533.db2.gz KZUWVEDIAZNALN-UHFFFAOYSA-N -1 3 374.514 2.954 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000823850131 607966064 /nfs/dbraw/zinc/96/60/64/607966064.db2.gz KCKBMBICOOFXDW-UHFFFAOYSA-N -1 3 364.434 2.887 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000823850131 607966065 /nfs/dbraw/zinc/96/60/65/607966065.db2.gz KCKBMBICOOFXDW-UHFFFAOYSA-N -1 3 364.434 2.887 20 30 FFEDHM C=C(C)CN(CC)C(=O)CSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823877618 607983885 /nfs/dbraw/zinc/98/38/85/607983885.db2.gz BPYOAKFWBPFHJG-UHFFFAOYSA-N -1 3 361.471 2.533 20 30 FFEDHM C=C(C)CN(CC)C(=O)CSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823877618 607983886 /nfs/dbraw/zinc/98/38/86/607983886.db2.gz BPYOAKFWBPFHJG-UHFFFAOYSA-N -1 3 361.471 2.533 20 30 FFEDHM N#Cc1cc(Cl)ccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826383809 608052559 /nfs/dbraw/zinc/05/25/59/608052559.db2.gz RCQCYRIGTYNUBL-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cc(Cl)ccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826383809 608052560 /nfs/dbraw/zinc/05/25/60/608052560.db2.gz RCQCYRIGTYNUBL-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823958865 608091745 /nfs/dbraw/zinc/09/17/45/608091745.db2.gz ZUCAXXDJHDKAEU-UHFFFAOYSA-N -1 3 374.342 2.581 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C(C)C)on1 ZINC000823914722 608119609 /nfs/dbraw/zinc/11/96/09/608119609.db2.gz MMEHCRUMTPPPJX-UHFFFAOYSA-N -1 3 352.398 2.807 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C(C)C)on1 ZINC000823914722 608119610 /nfs/dbraw/zinc/11/96/10/608119610.db2.gz MMEHCRUMTPPPJX-UHFFFAOYSA-N -1 3 352.398 2.807 20 30 FFEDHM CCC(CC)C(=O)N1CCC(=NOCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825094770 608150170 /nfs/dbraw/zinc/15/01/70/608150170.db2.gz BGXVVAMANDLHKO-UHFFFAOYSA-N -1 3 370.457 2.798 20 30 FFEDHM CCC(CC)C(=O)N1CCC(=NOCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825094770 608150172 /nfs/dbraw/zinc/15/01/72/608150172.db2.gz BGXVVAMANDLHKO-UHFFFAOYSA-N -1 3 370.457 2.798 20 30 FFEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826387269 608327967 /nfs/dbraw/zinc/32/79/67/608327967.db2.gz MYTSKZRRQVDDHM-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826387269 608327970 /nfs/dbraw/zinc/32/79/70/608327970.db2.gz MYTSKZRRQVDDHM-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634695 608461434 /nfs/dbraw/zinc/46/14/34/608461434.db2.gz XHLDWWSBUWIHQL-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634695 608461435 /nfs/dbraw/zinc/46/14/35/608461435.db2.gz XHLDWWSBUWIHQL-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C=CCOc1cccnc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823931750 608472702 /nfs/dbraw/zinc/47/27/02/608472702.db2.gz FEBCQOPCMIBYTL-GFCCVEGCSA-N -1 3 351.366 2.745 20 30 FFEDHM C=CCOc1cccnc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823931750 608472704 /nfs/dbraw/zinc/47/27/04/608472704.db2.gz FEBCQOPCMIBYTL-GFCCVEGCSA-N -1 3 351.366 2.745 20 30 FFEDHM C[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1cccc(C#N)c1 ZINC000824633242 608483975 /nfs/dbraw/zinc/48/39/75/608483975.db2.gz IWISYZQGLSEZJC-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1cccc(C#N)c1 ZINC000824633242 608483976 /nfs/dbraw/zinc/48/39/76/608483976.db2.gz IWISYZQGLSEZJC-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM CN(C)c1ccc(C=[NH+][N-]c2cc(-c3nnn[n-]3)cc(Cl)n2)cc1F ZINC000825878738 608533967 /nfs/dbraw/zinc/53/39/67/608533967.db2.gz CYNXNTWFJLEZHC-UHFFFAOYSA-N -1 3 360.784 2.566 20 30 FFEDHM CN(C)c1ccc(C=[NH+][N-]c2cc(-c3nn[n-]n3)cc(Cl)n2)cc1F ZINC000825878738 608533968 /nfs/dbraw/zinc/53/39/68/608533968.db2.gz CYNXNTWFJLEZHC-UHFFFAOYSA-N -1 3 360.784 2.566 20 30 FFEDHM Oc1ccc2c(c1)CCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826511408 608537957 /nfs/dbraw/zinc/53/79/57/608537957.db2.gz OKAFFPXBYFZWQY-UHFFFAOYSA-N -1 3 355.789 2.773 20 30 FFEDHM Oc1ccc2c(c1)CCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826511408 608537958 /nfs/dbraw/zinc/53/79/58/608537958.db2.gz OKAFFPXBYFZWQY-UHFFFAOYSA-N -1 3 355.789 2.773 20 30 FFEDHM COc1cc(C)c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OC ZINC000826177930 608539412 /nfs/dbraw/zinc/53/94/12/608539412.db2.gz BFYMLGNSVFZRFB-UHFFFAOYSA-N -1 3 373.804 2.687 20 30 FFEDHM COc1cc(C)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC ZINC000826177930 608539413 /nfs/dbraw/zinc/53/94/13/608539413.db2.gz BFYMLGNSVFZRFB-UHFFFAOYSA-N -1 3 373.804 2.687 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000823958583 608541455 /nfs/dbraw/zinc/54/14/55/608541455.db2.gz RLPFGSJGUKHRAZ-UHFFFAOYSA-N -1 3 356.821 2.817 20 30 FFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826211294 609269966 /nfs/dbraw/zinc/26/99/66/609269966.db2.gz WTXRKWPMIZDNIT-DAXSKMNVSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826211294 609269968 /nfs/dbraw/zinc/26/99/68/609269968.db2.gz WTXRKWPMIZDNIT-DAXSKMNVSA-N -1 3 354.341 2.919 20 30 FFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000825559107 609271784 /nfs/dbraw/zinc/27/17/84/609271784.db2.gz BVKOTUGPFYRSHJ-QPJJXVBHSA-N -1 3 356.313 2.672 20 30 FFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000825559107 609271785 /nfs/dbraw/zinc/27/17/85/609271785.db2.gz BVKOTUGPFYRSHJ-QPJJXVBHSA-N -1 3 356.313 2.672 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823855782 609300861 /nfs/dbraw/zinc/30/08/61/609300861.db2.gz AAGSCZSXVSNHRE-UHFFFAOYSA-N -1 3 371.759 2.924 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823855782 609300863 /nfs/dbraw/zinc/30/08/63/609300863.db2.gz AAGSCZSXVSNHRE-UHFFFAOYSA-N -1 3 371.759 2.924 20 30 FFEDHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCO1 ZINC000824216157 609386307 /nfs/dbraw/zinc/38/63/07/609386307.db2.gz OJQYXYQPCWQEJS-WBMJQRKESA-N -1 3 354.414 2.518 20 30 FFEDHM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCO1 ZINC000824216157 609386308 /nfs/dbraw/zinc/38/63/08/609386308.db2.gz OJQYXYQPCWQEJS-WBMJQRKESA-N -1 3 354.414 2.518 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1O[C@H](C)C#N ZINC000826184477 609512918 /nfs/dbraw/zinc/51/29/18/609512918.db2.gz YQIXOIPRVFOGER-GFCCVEGCSA-N -1 3 350.382 2.778 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1O[C@H](C)C#N ZINC000826184477 609512920 /nfs/dbraw/zinc/51/29/20/609512920.db2.gz YQIXOIPRVFOGER-GFCCVEGCSA-N -1 3 350.382 2.778 20 30 FFEDHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000154539329 728806309 /nfs/dbraw/zinc/80/63/09/728806309.db2.gz YRJUWRLAVPHCFV-AWEZNQCLSA-N -1 3 357.435 2.584 20 30 FFEDHM COC(=O)C[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(Cl)c1 ZINC000743501901 735302058 /nfs/dbraw/zinc/30/20/58/735302058.db2.gz SUOMKTGUBIOTBD-JRLSWLOKSA-N -1 3 362.813 2.965 20 30 FFEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])C(=O)NCc1ccco1 ZINC000743537867 735304047 /nfs/dbraw/zinc/30/40/47/735304047.db2.gz BYENUJKMHATBEE-VLWLMIQISA-N -1 3 351.200 2.872 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C)C2)ccc1F ZINC000045419206 728002114 /nfs/dbraw/zinc/00/21/14/728002114.db2.gz RHEXNYFAPXSGIK-JSGCOSHPSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000084188925 728418438 /nfs/dbraw/zinc/41/84/38/728418438.db2.gz DZOOWSYGCMWMFA-UHFFFAOYSA-N -1 3 368.474 2.942 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)ccc1F ZINC000178288973 729158810 /nfs/dbraw/zinc/15/88/10/729158810.db2.gz AQWMDFASRQJNOQ-GASCZTMLSA-N -1 3 366.458 2.552 20 30 FFEDHM CCNS(=O)(=O)c1ccc(C/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000255675415 729645115 /nfs/dbraw/zinc/64/51/15/729645115.db2.gz TVTZRWYBCMNBTJ-WQRHYEAKSA-N -1 3 352.843 2.963 20 30 FFEDHM C=CCCO[N-]C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000856032001 730300031 /nfs/dbraw/zinc/30/00/31/730300031.db2.gz GTACFDFYCGHXOE-FQEVSTJZSA-N -1 3 360.273 2.961 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C2CC2)C2CC2)ccc1F ZINC000856121358 730305844 /nfs/dbraw/zinc/30/58/44/730305844.db2.gz JOWLMUAOPWAFTO-UHFFFAOYSA-N -1 3 366.458 2.599 20 30 FFEDHM CCOCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000857010217 730372431 /nfs/dbraw/zinc/37/24/31/730372431.db2.gz HMNJIOIBPNTKAF-ZDUSSCGKSA-N -1 3 360.801 2.534 20 30 FFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000859425593 730454357 /nfs/dbraw/zinc/45/43/57/730454357.db2.gz IHWLJMOIWLRZGX-LLVKDONJSA-N -1 3 353.337 2.551 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2cc(Br)ccc2s1 ZINC000861827732 730644666 /nfs/dbraw/zinc/64/46/66/730644666.db2.gz LSLOSHXVGUJOLH-JTQLQIEISA-N -1 3 369.240 2.774 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C#Cc2ccccn2)c1)C(C)C ZINC000647266759 730729933 /nfs/dbraw/zinc/72/99/33/730729933.db2.gz OPLJBYXPWXBXPF-IBGZPJMESA-N -1 3 358.463 2.894 20 30 FFEDHM C=CCNc1ncc(C(=O)[N-]c2nc(C3CCOCC3)ns2)s1 ZINC000863941084 730816964 /nfs/dbraw/zinc/81/69/64/730816964.db2.gz VFRVPHWJDACHSG-UHFFFAOYSA-N -1 3 351.457 2.739 20 30 FFEDHM N#Cc1ccc(NCc2nc3c(c(=O)[n-]2)COCC3)c(Br)c1 ZINC000866290222 731046833 /nfs/dbraw/zinc/04/68/33/731046833.db2.gz UMNXYLOBRSPWPB-UHFFFAOYSA-N -1 3 361.199 2.501 20 30 FFEDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866353457 731051482 /nfs/dbraw/zinc/05/14/82/731051482.db2.gz YHDNVTQXIBYQHV-LLVKDONJSA-N -1 3 350.465 2.970 20 30 FFEDHM C[C@@H](C#N)OCCN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879468352 732706880 /nfs/dbraw/zinc/70/68/80/732706880.db2.gz RYJGNHXNFFGBCS-QWHCGFSZSA-N -1 3 355.360 2.587 20 30 FFEDHM Cn1ccnc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727257712 734474389 /nfs/dbraw/zinc/47/43/89/734474389.db2.gz ZGIPEWFUOMFCLX-UHFFFAOYSA-N -1 3 355.423 2.667 20 30 FFEDHM N#CCn1cc([N-]S(=O)(=O)/C=C/c2ccccc2Br)cn1 ZINC000727359668 734479805 /nfs/dbraw/zinc/47/98/05/734479805.db2.gz RNMUNVMZDKZUGM-VMPITWQZSA-N -1 3 367.228 2.582 20 30 FFEDHM C=CCCCOC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000735526130 734949839 /nfs/dbraw/zinc/94/98/39/734949839.db2.gz VOZXDBBMZIGDTF-HNNXBMFYSA-N -1 3 364.467 2.793 20 30 FFEDHM O=C1Nc2c(cc(Cl)cc2Br)C1=N[N-]c1cccnn1 ZINC000735973958 734970724 /nfs/dbraw/zinc/97/07/24/734970724.db2.gz ZQPQBZAWLYHQMC-UHFFFAOYSA-N -1 3 352.579 2.661 20 30 FFEDHM O=c1nc(C=N[O-])ccn1CCOc1ccc(Cl)cc1Br ZINC000736301897 734981497 /nfs/dbraw/zinc/98/14/97/734981497.db2.gz CFRFGFVAUWZUIG-UHFFFAOYSA-N -1 3 372.606 2.546 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CCCCF)no2)ccc1F ZINC000897213128 735206816 /nfs/dbraw/zinc/20/68/16/735206816.db2.gz HGSNWMUHQGJCRP-UHFFFAOYSA-N -1 3 357.382 2.632 20 30 FFEDHM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cc([O-])cc(Cl)c1 ZINC000901166241 735752552 /nfs/dbraw/zinc/75/25/52/735752552.db2.gz ZWUCPIZOHNKRNP-UHFFFAOYSA-N -1 3 352.847 2.899 20 30 FFEDHM CCN(CC)C(=O)N1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000901375745 735771971 /nfs/dbraw/zinc/77/19/71/735771971.db2.gz LUKVOFRXUQBCGA-UHFFFAOYSA-N -1 3 351.422 2.717 20 30 FFEDHM N#Cc1ccsc1NC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751733581 735913082 /nfs/dbraw/zinc/91/30/82/735913082.db2.gz DBRUTEGUOAJSJP-UHFFFAOYSA-N -1 3 354.746 2.913 20 30 FFEDHM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3cc(Cl)cc(C#N)c3)C2)cn1 ZINC000903411364 736088720 /nfs/dbraw/zinc/08/87/20/736088720.db2.gz LHFGZACFXCNYMA-GJZGRUSLSA-N -1 3 358.829 2.635 20 30 FFEDHM CCCCN([O-])C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N ZINC000904216167 736234251 /nfs/dbraw/zinc/23/42/51/736234251.db2.gz YPWFEPRQDZVANR-FVRSWCFKSA-N -1 3 351.447 2.791 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)C(C)(C)C2)ccc1F ZINC000760133502 736617191 /nfs/dbraw/zinc/61/71/91/736617191.db2.gz ISWDCJASQALEJU-ZDUSSCGKSA-N -1 3 368.474 2.798 20 30 FFEDHM C=CCC[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750371 736826327 /nfs/dbraw/zinc/82/63/27/736826327.db2.gz FCTRLHWETJCZTF-ZIAGYGMSSA-N -1 3 351.472 2.604 20 30 FFEDHM Cc1nn2cccnc2c1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000764300988 737009942 /nfs/dbraw/zinc/00/99/42/737009942.db2.gz AEKJXAKNMXNEDH-UHFFFAOYSA-N -1 3 356.729 2.723 20 30 FFEDHM CCC[C@H](CC)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766410033 737227751 /nfs/dbraw/zinc/22/77/51/737227751.db2.gz XHGOXZCSFUKSMI-STQMWFEESA-N -1 3 352.456 2.626 20 30 FFEDHM C#C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C1CCOCC1 ZINC000912692874 737331298 /nfs/dbraw/zinc/33/12/98/737331298.db2.gz ONPXFLAQCZBWCJ-LBPRGKRZSA-N -1 3 365.455 2.648 20 30 FFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000770390242 737621725 /nfs/dbraw/zinc/62/17/25/737621725.db2.gz FJQISAIZAKAKLW-VIFPVBQESA-N -1 3 364.236 2.677 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn2cccnc12 ZINC000916928844 737733102 /nfs/dbraw/zinc/73/31/02/737733102.db2.gz VZJMARWWMDRIOQ-JTQLQIEISA-N -1 3 374.187 2.997 20 30 FFEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c(C)[nH]1 ZINC000917570006 737766158 /nfs/dbraw/zinc/76/61/58/737766158.db2.gz CTMZSCUKHQRJLZ-HNNXBMFYSA-N -1 3 355.423 2.906 20 30 FFEDHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1 ZINC000920553465 737914225 /nfs/dbraw/zinc/91/42/25/737914225.db2.gz AVDTWQQKJKKMNJ-SFHVURJKSA-N -1 3 356.447 2.944 20 30 FFEDHM C[C@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000776279417 738177660 /nfs/dbraw/zinc/17/76/60/738177660.db2.gz JNAHSVMWFRAQBL-NSHDSACASA-N -1 3 358.781 2.951 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccncc1 ZINC000785494847 738970266 /nfs/dbraw/zinc/97/02/66/738970266.db2.gz JJULMKFTVMTPDD-CYBMUJFWSA-N -1 3 366.464 2.834 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000785861815 739005272 /nfs/dbraw/zinc/00/52/72/739005272.db2.gz MJFWEHYCONUZIL-AWEZNQCLSA-N -1 3 354.447 2.693 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(Br)n1 ZINC000794025642 739842295 /nfs/dbraw/zinc/84/22/95/739842295.db2.gz HJOCJBPEODUCTN-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(Br)cn2)c1[O-] ZINC000794835548 739934258 /nfs/dbraw/zinc/93/42/58/739934258.db2.gz XQACBLAFZMOOCP-NKXMEUTISA-N -1 3 350.216 2.926 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nnn1C(C)C ZINC000796748251 740179365 /nfs/dbraw/zinc/17/93/65/740179365.db2.gz VDVRTHZTCXCBNF-LLVKDONJSA-N -1 3 363.780 2.921 20 30 FFEDHM COc1cc2c(cc1F)CCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000799112106 740388623 /nfs/dbraw/zinc/38/86/23/740388623.db2.gz ZLLMGESHDJJTNF-UHFFFAOYSA-N -1 3 362.426 2.647 20 30 FFEDHM C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC000972342670 740824753 /nfs/dbraw/zinc/82/47/53/740824753.db2.gz QEOLZLVVCIIBDE-UKRRQHHQSA-N -1 3 362.857 2.844 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000812527320 741629917 /nfs/dbraw/zinc/62/99/17/741629917.db2.gz NFOPUXDYDMVIMS-CQSZACIVSA-N -1 3 352.318 2.526 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC1CC(C)C1 ZINC000813230166 741693959 /nfs/dbraw/zinc/69/39/59/741693959.db2.gz LOJYPCDLKUAJRV-SSDMNJCBSA-N -1 3 364.467 2.626 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc2ccc(F)c(F)c2n1 ZINC000814815151 741867649 /nfs/dbraw/zinc/86/76/49/741867649.db2.gz OPFLMWCOSWHXRX-UHFFFAOYSA-N -1 3 361.373 2.967 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000816756517 742058975 /nfs/dbraw/zinc/05/89/75/742058975.db2.gz YWLGNSXNZMGHTE-LLVKDONJSA-N -1 3 357.391 2.666 20 30 FFEDHM O=C(CCCc1cc(Cl)sc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000816754308 742059159 /nfs/dbraw/zinc/05/91/59/742059159.db2.gz ARJJITMPWZMHBR-SECBINFHSA-N -1 3 351.255 2.874 20 30 FFEDHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820149962 742467937 /nfs/dbraw/zinc/46/79/37/742467937.db2.gz UWVDBQJATNVJPF-NSHDSACASA-N -1 3 370.192 2.677 20 30 FFEDHM C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001041757029 743056483 /nfs/dbraw/zinc/05/64/83/743056483.db2.gz RFADPJPFCPSREZ-BXKDBHETSA-N -1 3 362.842 2.628 20 30 FFEDHM N#Cc1sc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)nc1Cl ZINC001055284439 745066076 /nfs/dbraw/zinc/06/60/76/745066076.db2.gz YRMWWELPDDWKFI-JLLWLGSASA-N -1 3 374.853 2.913 20 30 FFEDHM C=CCC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CCCC1 ZINC000832494125 745707651 /nfs/dbraw/zinc/70/76/51/745707651.db2.gz GBJSYWAMVLUJRT-UHFFFAOYSA-N -1 3 372.874 2.936 20 30 FFEDHM CC(C)(CO)O[N-]C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000836806960 746310033 /nfs/dbraw/zinc/31/00/33/746310033.db2.gz YAYDQEVXEVMDJJ-UHFFFAOYSA-N -1 3 365.861 2.637 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C3CCC3)C2)ccc1F ZINC000840573223 747128879 /nfs/dbraw/zinc/12/88/79/747128879.db2.gz NWGQWPDXNNVDII-HNNXBMFYSA-N -1 3 366.458 2.552 20 30 FFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000841541972 747390562 /nfs/dbraw/zinc/39/05/62/747390562.db2.gz BZGOVQGCKHFDBY-UHFFFAOYSA-N -1 3 366.668 2.716 20 30 FFEDHM C[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000845192948 748201781 /nfs/dbraw/zinc/20/17/81/748201781.db2.gz INNOOUWKPYDLDA-JTQLQIEISA-N -1 3 365.817 2.516 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c(F)ccc(SCC2CC2)c1F ZINC000848131972 748850615 /nfs/dbraw/zinc/85/06/15/748850615.db2.gz MOTNIWAJHWFELM-NSHDSACASA-N -1 3 356.394 2.577 20 30 FFEDHM COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1 ZINC000848693886 748987101 /nfs/dbraw/zinc/98/71/01/748987101.db2.gz SQHSLYODZHKSMN-CQSZACIVSA-N -1 3 368.430 2.672 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1 ZINC000849473414 749172294 /nfs/dbraw/zinc/17/22/94/749172294.db2.gz JQVZRHGUPODALD-UHFFFAOYSA-N -1 3 368.430 2.755 20 30 FFEDHM C=C1CCC(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC001123278276 939820309 /nfs/dbraw/zinc/82/03/09/939820309.db2.gz UTRUDVRJPOBWPD-OAQYLSRUSA-N -1 3 356.466 2.968 20 30 FFEDHM COC(=O)CCCC[C@H](C)C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821660489 945784094 /nfs/dbraw/zinc/78/40/94/945784094.db2.gz TWLFKFGZSVFMPU-ZDUSSCGKSA-N -1 3 358.446 2.702 20 30 FFEDHM COC(=O)CCCC[C@H](C)C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821660489 945784102 /nfs/dbraw/zinc/78/41/02/945784102.db2.gz TWLFKFGZSVFMPU-ZDUSSCGKSA-N -1 3 358.446 2.702 20 30 FFEDHM CC(C)(C#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000824059044 946571658 /nfs/dbraw/zinc/57/16/58/946571658.db2.gz LMBFZWOUPGKFFE-UHFFFAOYSA-N -1 3 363.377 2.905 20 30 FFEDHM CC(C)(C#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000824059044 946571666 /nfs/dbraw/zinc/57/16/66/946571666.db2.gz LMBFZWOUPGKFFE-UHFFFAOYSA-N -1 3 363.377 2.905 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573298351 947075305 /nfs/dbraw/zinc/07/53/05/947075305.db2.gz CRDNLEBHJBJJJJ-MRXNPFEDSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573298351 947075312 /nfs/dbraw/zinc/07/53/12/947075312.db2.gz CRDNLEBHJBJJJJ-MRXNPFEDSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC(C)(C)CCNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001573307451 947180476 /nfs/dbraw/zinc/18/04/76/947180476.db2.gz SCMUZJXWANXKOC-UHFFFAOYSA-N -1 3 357.462 2.965 20 30 FFEDHM C=CC(C)(C)CCNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001573307451 947180487 /nfs/dbraw/zinc/18/04/87/947180487.db2.gz SCMUZJXWANXKOC-UHFFFAOYSA-N -1 3 357.462 2.965 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573316676 947280526 /nfs/dbraw/zinc/28/05/26/947280526.db2.gz YCDXXRYAHOJSFR-UONOGXRCSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573316676 947280534 /nfs/dbraw/zinc/28/05/34/947280534.db2.gz YCDXXRYAHOJSFR-UONOGXRCSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573334084 947447705 /nfs/dbraw/zinc/44/77/05/947447705.db2.gz JKXXFFDRDWROGW-HNNXBMFYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573334084 947447713 /nfs/dbraw/zinc/44/77/13/947447713.db2.gz JKXXFFDRDWROGW-HNNXBMFYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(OC)cnc1F ZINC001573341550 947532862 /nfs/dbraw/zinc/53/28/62/947532862.db2.gz NSVGYSNGGHHYHO-UHFFFAOYSA-N -1 3 354.389 2.598 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(OC)cnc1F ZINC001573341550 947532866 /nfs/dbraw/zinc/53/28/66/947532866.db2.gz NSVGYSNGGHHYHO-UHFFFAOYSA-N -1 3 354.389 2.598 20 30 FFEDHM C=CCONC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001573348728 947587739 /nfs/dbraw/zinc/58/77/39/947587739.db2.gz UEOPWCGUDQXRJQ-UHFFFAOYSA-N -1 3 352.354 2.898 20 30 FFEDHM C=CCONC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001573348728 947587751 /nfs/dbraw/zinc/58/77/51/947587751.db2.gz UEOPWCGUDQXRJQ-UHFFFAOYSA-N -1 3 352.354 2.898 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573348785 947588656 /nfs/dbraw/zinc/58/86/56/947588656.db2.gz WDDDEUYVBHFCIN-SANMLTNESA-N -1 3 367.434 2.649 20 30 FFEDHM C=CC[S@@](=O)(=NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573348785 947588659 /nfs/dbraw/zinc/58/86/59/947588659.db2.gz WDDDEUYVBHFCIN-SANMLTNESA-N -1 3 367.434 2.649 20 30 FFEDHM CC(C)(C(=O)OCc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788559 949199956 /nfs/dbraw/zinc/19/99/56/949199956.db2.gz MOKUCCLLXFGFID-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)(C(=O)OCc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788559 949199974 /nfs/dbraw/zinc/19/99/74/949199974.db2.gz MOKUCCLLXFGFID-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CCCN(C)[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001603655191 974028901 /nfs/dbraw/zinc/02/89/01/974028901.db2.gz XGXRKYUPZNOKLE-CRAIPNDOSA-N -1 3 365.861 2.844 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)c1 ZINC000127181829 974031482 /nfs/dbraw/zinc/03/14/82/974031482.db2.gz UMUQJXUVTKZLHF-KRWDZBQOSA-N -1 3 360.373 2.842 20 30 FFEDHM C=CCCC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910915459 982092778 /nfs/dbraw/zinc/09/27/78/982092778.db2.gz MFCZBRZGTQCBFL-AEFFLSMTSA-N -1 3 362.445 2.963 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 ZINC000912254905 983993271 /nfs/dbraw/zinc/99/32/71/983993271.db2.gz HBTGWPAPFXTNKX-MRXNPFEDSA-N -1 3 351.406 2.623 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000172592246 985605445 /nfs/dbraw/zinc/60/54/45/985605445.db2.gz KHXNMMPLDZXVJJ-HNNXBMFYSA-N -1 3 371.462 2.893 20 30 FFEDHM N#Cc1sccc1N1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878886994 1015268307 /nfs/dbraw/zinc/26/83/07/1015268307.db2.gz CWVSPQYUGNUPJS-UHFFFAOYSA-N -1 3 367.434 2.698 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)cc1 ZINC000131816261 987299046 /nfs/dbraw/zinc/29/90/46/987299046.db2.gz GTRZEOMYXHVIHY-QGZVFWFLSA-N -1 3 360.373 2.842 20 30 FFEDHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC#N)c2)cc1 ZINC000785458729 987373711 /nfs/dbraw/zinc/37/37/11/987373711.db2.gz ICZAOKJASSSOGU-UHFFFAOYSA-N -1 3 374.418 2.875 20 30 FFEDHM C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001003508508 988072317 /nfs/dbraw/zinc/07/23/17/988072317.db2.gz ZTWBAXVBWOWJRT-OIISXLGYSA-N -1 3 365.433 2.555 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000916925231 990029458 /nfs/dbraw/zinc/02/94/58/990029458.db2.gz HMWZLRLAOJLNKV-LBPRGKRZSA-N -1 3 368.349 2.537 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H]2CCCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000920990808 990944590 /nfs/dbraw/zinc/94/45/90/990944590.db2.gz DQBGFSWHFLJJPC-UWOKGBPVSA-N -1 3 363.458 2.796 20 30 FFEDHM CN(CCC#N)c1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001598468745 991991476 /nfs/dbraw/zinc/99/14/76/991991476.db2.gz IZQOIGTYDTYQOX-HXUWFJFHSA-N -1 3 352.438 2.911 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)Nc2cnc(C(=O)OCC)[n-]2)cc1OC ZINC000763643810 992659694 /nfs/dbraw/zinc/65/96/94/992659694.db2.gz WBKMCNBHAXXLPR-VQHVLOKHSA-N -1 3 371.393 2.812 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)Nc2c[n-]c(C(=O)OCC)n2)cc1OC ZINC000763643810 992659697 /nfs/dbraw/zinc/65/96/97/992659697.db2.gz WBKMCNBHAXXLPR-VQHVLOKHSA-N -1 3 371.393 2.812 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1COC2=O ZINC000808477073 994130627 /nfs/dbraw/zinc/13/06/27/994130627.db2.gz UFOJMXKZOLGRSS-UHFFFAOYSA-N -1 3 351.362 2.517 20 30 FFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC001593194231 994132325 /nfs/dbraw/zinc/13/23/25/994132325.db2.gz BRCXSVBPWIZVIJ-SCLBCKFNSA-N -1 3 365.389 2.991 20 30 FFEDHM CC(C)c1ccccc1N(C)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000809389243 994504611 /nfs/dbraw/zinc/50/46/11/994504611.db2.gz BFZKTNWOPSLCCG-UHFFFAOYSA-N -1 3 371.462 2.512 20 30 FFEDHM C#CCCc1noc([C@H](CCCC)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000809397461 994511514 /nfs/dbraw/zinc/51/15/14/994511514.db2.gz UNTCWYSIAMXATE-AWEZNQCLSA-N -1 3 372.450 2.605 20 30 FFEDHM COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c(OC)c1 ZINC000811183965 995050550 /nfs/dbraw/zinc/05/05/50/995050550.db2.gz CRUAXZVASXRZSX-LLVKDONJSA-N -1 3 355.346 2.709 20 30 FFEDHM CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811187137 995052490 /nfs/dbraw/zinc/05/24/90/995052490.db2.gz KXGOLRHKIAINRX-GFCCVEGCSA-N -1 3 354.362 2.847 20 30 FFEDHM COc1cc(C#N)ccc1OCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001599350120 998078742 /nfs/dbraw/zinc/07/87/42/998078742.db2.gz DHCJTAGBVNCHNF-KRWDZBQOSA-N -1 3 352.390 2.630 20 30 FFEDHM N#Cc1cccc(CNC(=O)CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000738294020 999624819 /nfs/dbraw/zinc/62/48/19/999624819.db2.gz AHAVCMQWLQXGPG-UHFFFAOYSA-N -1 3 373.412 2.618 20 30 FFEDHM C=CCN1C[C@]2(CCN(Cc3c(Cl)cc([O-])cc3Cl)C2)OCC1=O ZINC001276164663 1016436097 /nfs/dbraw/zinc/43/60/97/1016436097.db2.gz FRKZTVVPCNQTKH-QGZVFWFLSA-N -1 3 371.264 2.688 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)OCC#Cc2ccc(F)cc2)c([O-])c1 ZINC000771349304 1001086374 /nfs/dbraw/zinc/08/63/74/1001086374.db2.gz INLYKALENZPKIG-UHFFFAOYSA-N -1 3 355.365 2.555 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC([O-])=NO[C@H]3CCCCO3)ccc21 ZINC000787482385 1001695020 /nfs/dbraw/zinc/69/50/20/1001695020.db2.gz OOZOBSCJXKTHNO-SFHVURJKSA-N -1 3 372.425 2.849 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)[N-]O[C@H]3CCCCO3)ccc21 ZINC000787482385 1001695022 /nfs/dbraw/zinc/69/50/22/1001695022.db2.gz OOZOBSCJXKTHNO-SFHVURJKSA-N -1 3 372.425 2.849 20 30 FFEDHM CC(C)Cn1cnc2c1c1ccccc1nc2N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171364124 1001722567 /nfs/dbraw/zinc/72/25/67/1001722567.db2.gz YFPUCVZNVRGHEQ-WFASDCNBSA-N -1 3 353.426 2.889 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2cc(C(F)(F)F)ccc2nc1Cl ZINC001171363621 1001725433 /nfs/dbraw/zinc/72/54/33/1001725433.db2.gz ISTJBPPUYQIEDL-WKEGUHRASA-N -1 3 360.723 2.950 20 30 FFEDHM Cc1c(NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)cccc1[N+](=O)[O-] ZINC000774385831 1001885768 /nfs/dbraw/zinc/88/57/68/1001885768.db2.gz QQAYTJIOGNAUKZ-UHFFFAOYSA-N -1 3 359.273 2.719 20 30 FFEDHM COc1cc(C=NNc2ccc3c(cc[nH]c3=O)c2)c([N+](=O)[O-])cc1[O-] ZINC000789060100 1001953943 /nfs/dbraw/zinc/95/39/43/1001953943.db2.gz FVIMPMXCSRFNFD-UHFFFAOYSA-N -1 3 354.322 2.597 20 30 FFEDHM C[C@@H]1C(=O)Nc2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc2N1C ZINC000792110415 1002909716 /nfs/dbraw/zinc/90/97/16/1002909716.db2.gz LJHLDOKUWBFUPC-OCCSQVGLSA-N -1 3 371.400 2.897 20 30 FFEDHM N#Cc1cccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1F ZINC000774917596 1003035777 /nfs/dbraw/zinc/03/57/77/1003035777.db2.gz GTLFEAVDFIUISI-INIZCTEOSA-N -1 3 368.364 2.751 20 30 FFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC001187032392 1003547928 /nfs/dbraw/zinc/54/79/28/1003547928.db2.gz IRUDHOBAGTXRNV-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000804453376 1003668267 /nfs/dbraw/zinc/66/82/67/1003668267.db2.gz XDCYQJNKKJNYBA-GOSISDBHSA-N -1 3 364.445 2.571 20 30 FFEDHM Cc1ccc([C@H](O)[C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000804486839 1003680048 /nfs/dbraw/zinc/68/00/48/1003680048.db2.gz RSVIFWNWQCTNNR-MGPUTAFESA-N -1 3 367.449 2.755 20 30 FFEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2sc3ccccc3c2C#N)nc1 ZINC001196704501 1003920222 /nfs/dbraw/zinc/92/02/22/1003920222.db2.gz UDOJHHBOMHGMCN-UHFFFAOYSA-N -1 3 357.416 2.824 20 30 FFEDHM COc1cc([O-])ccc1C(=O)Nc1c(C#N)c(CC#N)nn1-c1ccccc1 ZINC001197154973 1004104112 /nfs/dbraw/zinc/10/41/12/1004104112.db2.gz WAKSUKPZDZSVCC-UHFFFAOYSA-N -1 3 373.372 2.777 20 30 FFEDHM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)c2)o1 ZINC001192264469 1004109406 /nfs/dbraw/zinc/10/94/06/1004109406.db2.gz BYGWCRAAAUUPKW-UHFFFAOYSA-N -1 3 358.354 2.857 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(O)ccc2F)ccc1Br ZINC001197312141 1004157160 /nfs/dbraw/zinc/15/71/60/1004157160.db2.gz SNWKSBDAPLLCOZ-UHFFFAOYSA-N -1 3 371.187 2.966 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)ncc2F)ccc1Br ZINC001197287758 1004164409 /nfs/dbraw/zinc/16/44/09/1004164409.db2.gz CYRNAYZFGBOEFE-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM CSc1[n-]nc(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)c1C(N)=O ZINC001197388131 1004187225 /nfs/dbraw/zinc/18/72/25/1004187225.db2.gz UGPGARYXDBXNPS-UHFFFAOYSA-N -1 3 367.390 2.614 20 30 FFEDHM N#CC1(NC(=O)c2c(F)ccc([O-])c2F)CCN(Cc2ccccc2)CC1 ZINC001192553218 1004189841 /nfs/dbraw/zinc/18/98/41/1004189841.db2.gz XLPWQTDFMAVRRH-UHFFFAOYSA-N -1 3 371.387 2.959 20 30 FFEDHM CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000808093699 1004750954 /nfs/dbraw/zinc/75/09/54/1004750954.db2.gz UTDOCYDMMCHVQF-UHFFFAOYSA-N -1 3 374.437 2.716 20 30 FFEDHM Cc1cc(C#N)c([N-]C(=O)c2nccc(OCC3CCOCC3)n2)s1 ZINC001199171598 1004855277 /nfs/dbraw/zinc/85/52/77/1004855277.db2.gz NPSDJHGADUYBOL-UHFFFAOYSA-N -1 3 358.423 2.776 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cnccc1OC(F)F ZINC001199378898 1004924877 /nfs/dbraw/zinc/92/48/77/1004924877.db2.gz VJQBDUBMGIGILW-UHFFFAOYSA-N -1 3 353.306 2.655 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)c(C)cc1O ZINC001195377668 1004955749 /nfs/dbraw/zinc/95/57/49/1004955749.db2.gz MTUAYPNNJGGWSX-GFCCVEGCSA-N -1 3 374.418 2.915 20 30 FFEDHM N#Cc1ccc(CNS(=O)(=O)c2ccc([O-])cc2)c(C(F)(F)F)c1 ZINC001195834579 1005057556 /nfs/dbraw/zinc/05/75/56/1005057556.db2.gz CZBJZFIGNQRQHQ-UHFFFAOYSA-N -1 3 356.325 2.761 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001489879632 1005555931 /nfs/dbraw/zinc/55/59/31/1005555931.db2.gz DLNBJWUJHABCKC-UONOGXRCSA-N -1 3 369.469 2.575 20 30 FFEDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC3(C#N)CCOCC3)c2)n1 ZINC000850861435 1005846674 /nfs/dbraw/zinc/84/66/74/1005846674.db2.gz YKBONDRIHIDRFC-UHFFFAOYSA-N -1 3 353.378 2.774 20 30 FFEDHM Cc1nc2c(c(=O)[n-]1)CN(c1nc3c(c(C#N)c1C#N)CCCCCC3)C2 ZINC001187216071 1005981908 /nfs/dbraw/zinc/98/19/08/1005981908.db2.gz RCOBAZYDPQVTBN-UHFFFAOYSA-N -1 3 360.421 2.808 20 30 FFEDHM C=C[C@H]1C[C@]1([N-]S(=O)(=O)CCc1cccc2ccccc21)C(=O)OCC ZINC001187660140 1006189086 /nfs/dbraw/zinc/18/90/86/1006189086.db2.gz VRHJRGXVCAXGPX-FXAWDEMLSA-N -1 3 373.474 2.810 20 30 FFEDHM C=C[C@@H]1C[C@]1(Nc1ccc2cnc(C)cc2c1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170748823 1006292628 /nfs/dbraw/zinc/29/26/28/1006292628.db2.gz OMPYPQNUSFRGNV-DNVCBOLYSA-N -1 3 371.462 2.508 20 30 FFEDHM C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc([O-])cc(C#N)c2)C1=O ZINC000815234209 1006548006 /nfs/dbraw/zinc/54/80/06/1006548006.db2.gz YGJSYOTUWBPYJY-XIKOKIGWSA-N -1 3 368.364 2.922 20 30 FFEDHM CCC1(CC)[C@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@@H]1OC ZINC000130943233 1006635989 /nfs/dbraw/zinc/63/59/89/1006635989.db2.gz CUOVZMKHWUUQJU-DLBZAZTESA-N -1 3 360.454 2.933 20 30 FFEDHM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)ccn1 ZINC000815908103 1006822992 /nfs/dbraw/zinc/82/29/92/1006822992.db2.gz SEXUXCKCTVZSCA-HNNXBMFYSA-N -1 3 350.378 2.637 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855170036 1007152228 /nfs/dbraw/zinc/15/22/28/1007152228.db2.gz IWEGZNDVFUWBBG-DOMZBBRYSA-N -1 3 352.456 2.628 20 30 FFEDHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[C@@H]1CCN([O-])C1=O ZINC000816691193 1007168585 /nfs/dbraw/zinc/16/85/85/1007168585.db2.gz MREGNKNFPCFIIG-LJQANCHMSA-N -1 3 350.418 2.687 20 30 FFEDHM CCCCCCOc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1OC ZINC000816756500 1007191405 /nfs/dbraw/zinc/19/14/05/1007191405.db2.gz YHAJICBILKCVEB-OAHLLOKOSA-N -1 3 364.442 2.764 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c1 ZINC001190660904 1007722827 /nfs/dbraw/zinc/72/28/27/1007722827.db2.gz HXKKMZCQYIZBBW-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM N#Cc1ccc(O[C@@H]2CCCN(C(=O)c3ccc(=O)[n-]c3Cl)C2)cc1 ZINC001190910699 1007846799 /nfs/dbraw/zinc/84/67/99/1007846799.db2.gz WBAXFXHJMSIFDW-CQSZACIVSA-N -1 3 357.797 2.996 20 30 FFEDHM CCOc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820150406 1008294089 /nfs/dbraw/zinc/29/40/89/1008294089.db2.gz ZVRJXLDDWLBXQD-AWEZNQCLSA-N -1 3 356.378 2.598 20 30 FFEDHM CC#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000773863371 1009720759 /nfs/dbraw/zinc/72/07/59/1009720759.db2.gz ACULGQPZERILGA-UHFFFAOYSA-N -1 3 373.430 2.985 20 30 FFEDHM C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3ccc([O-])c(F)c3F)C2)C1=O ZINC001275351442 1012348610 /nfs/dbraw/zinc/34/86/10/1012348610.db2.gz QYWLHVYYJZUJPK-IBGZPJMESA-N -1 3 364.392 2.588 20 30 FFEDHM COc1ccc(CCC(=O)[N-]Oc2cccc(C#N)c2)c(OC)c1OC ZINC000870692617 1012529529 /nfs/dbraw/zinc/52/95/29/1012529529.db2.gz IEJSZMBZPXJYFQ-UHFFFAOYSA-N -1 3 356.378 2.627 20 30 FFEDHM N#Cc1cnc(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccccc3[O-])C2)c(F)c1 ZINC001055490979 1017594648 /nfs/dbraw/zinc/59/46/48/1017594648.db2.gz CTTJDCJKFURYFQ-XOBRGWDASA-N -1 3 366.396 2.587 20 30 FFEDHM C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001052785491 1018096675 /nfs/dbraw/zinc/09/66/75/1018096675.db2.gz POXRZGJBQQTYNF-ZIAGYGMSSA-N -1 3 353.397 2.905 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CNc1ncc(C#N)cc1F ZINC001053641355 1018395459 /nfs/dbraw/zinc/39/54/59/1018395459.db2.gz JYUCLBKTZBIMEV-TZMCWYRMSA-N -1 3 354.385 2.618 20 30 FFEDHM Cc1ccc(CN2C[C@@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC000901376816 1019017640 /nfs/dbraw/zinc/01/76/40/1019017640.db2.gz YLBMLYOSXDLISG-KRWDZBQOSA-N -1 3 356.397 2.901 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110984939 1019950892 /nfs/dbraw/zinc/95/08/92/1019950892.db2.gz ORWOPWVNZFWGIX-VWXURSGXSA-N -1 3 370.497 2.883 20 30 FFEDHM CN(CCC#N)c1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900069818 1020167860 /nfs/dbraw/zinc/16/78/60/1020167860.db2.gz AIEDCHLUQFQMTC-INIZCTEOSA-N -1 3 353.426 2.556 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000900581362 1020520292 /nfs/dbraw/zinc/52/02/92/1020520292.db2.gz VPUAVYRUSVCJKK-UHFFFAOYSA-N -1 3 352.390 2.956 20 30 FFEDHM Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900677710 1020578853 /nfs/dbraw/zinc/57/88/53/1020578853.db2.gz CFWZEOOGRAGRRN-UHFFFAOYSA-N -1 3 364.377 2.938 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001111073515 1021221523 /nfs/dbraw/zinc/22/15/23/1021221523.db2.gz OLVXCKTYMHNYGS-ZACQAIPSSA-N -1 3 370.497 2.883 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)ncc2c1COCC2 ZINC001119476235 1022796959 /nfs/dbraw/zinc/79/69/59/1022796959.db2.gz ZELRVQPFJFXEJA-ZDUSSCGKSA-N -1 3 356.407 2.586 20 30 FFEDHM C=CCN(C)C(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000779125776 1022849908 /nfs/dbraw/zinc/84/99/08/1022849908.db2.gz MTTBCEKNUMNFOH-UHFFFAOYSA-N -1 3 370.405 2.920 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2CCc2ccccc2)C1 ZINC001122217902 1023122349 /nfs/dbraw/zinc/12/23/49/1023122349.db2.gz RGEDXRCFXXMNID-HNNXBMFYSA-N -1 3 363.421 2.731 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CCC2)c1 ZINC001122541967 1023330139 /nfs/dbraw/zinc/33/01/39/1023330139.db2.gz DNGGWXGBEDHMJK-OAHLLOKOSA-N -1 3 352.394 2.968 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(F)CC1 ZINC001122614803 1023370048 /nfs/dbraw/zinc/37/00/48/1023370048.db2.gz DPWZRFKWPANFOA-UHFFFAOYSA-N -1 3 368.420 2.640 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(F)CC1 ZINC001122614803 1023370054 /nfs/dbraw/zinc/37/00/54/1023370054.db2.gz DPWZRFKWPANFOA-UHFFFAOYSA-N -1 3 368.420 2.640 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001121615829 1023883358 /nfs/dbraw/zinc/88/33/58/1023883358.db2.gz WCLQAEUFESGHKJ-UHFFFAOYSA-N -1 3 359.743 2.601 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001121615829 1023883365 /nfs/dbraw/zinc/88/33/65/1023883365.db2.gz WCLQAEUFESGHKJ-UHFFFAOYSA-N -1 3 359.743 2.601 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001121652254 1023904945 /nfs/dbraw/zinc/90/49/45/1023904945.db2.gz JIHHWBRWWJUGBY-OAHLLOKOSA-N -1 3 373.457 2.858 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)CCSCC ZINC001121709499 1023939311 /nfs/dbraw/zinc/93/93/11/1023939311.db2.gz UOZDXQIEAIIDBD-GFCCVEGCSA-N -1 3 362.503 2.903 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc2c(Br)cccc12 ZINC001141463224 1026351211 /nfs/dbraw/zinc/35/12/11/1026351211.db2.gz IBSHPCZFDHXQQE-AWEZNQCLSA-N -1 3 363.211 2.712 20 30 FFEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001160200913 1027634501 /nfs/dbraw/zinc/63/45/01/1027634501.db2.gz MYBMUNWANBAJSD-INIZCTEOSA-N -1 3 365.311 2.849 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc3cc(Br)ccn3n2)ccc1[O-] ZINC001153088372 1027766780 /nfs/dbraw/zinc/76/67/80/1027766780.db2.gz KOMUDXFGTLXLJW-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM N#Cc1ccnc(NC(=O)c2cnc3cc(Br)ccc3c2[O-])c1 ZINC001153872928 1028036824 /nfs/dbraw/zinc/03/68/24/1028036824.db2.gz SBTGZLSLQXHLBL-UHFFFAOYSA-N -1 3 369.178 2.810 20 30 FFEDHM C[C@H](OC1CCCCC1)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802270 1028318066 /nfs/dbraw/zinc/31/80/66/1028318066.db2.gz PCFXXLPPGRXPMU-AWEZNQCLSA-N -1 3 374.437 2.628 20 30 FFEDHM CCCCN([O-])C(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC001161831864 1028328722 /nfs/dbraw/zinc/32/87/22/1028328722.db2.gz GHAMVEAJNKSAFM-UHFFFAOYSA-N -1 3 368.231 2.567 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N(O)Cc2ccc(F)cc2)c(Cl)c1 ZINC001161849045 1028331327 /nfs/dbraw/zinc/33/13/27/1028331327.db2.gz MRJVHDMUWYAGBB-UHFFFAOYSA-N -1 3 372.805 2.882 20 30 FFEDHM C[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)c1nc2ccccc2[nH]1 ZINC001154558078 1028354840 /nfs/dbraw/zinc/35/48/40/1028354840.db2.gz WHAZBZJMTCYCFC-LLVKDONJSA-N -1 3 357.373 2.767 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2cnccc2s1 ZINC001154658051 1028395827 /nfs/dbraw/zinc/39/58/27/1028395827.db2.gz PNTNUSJQMNKKIC-UHFFFAOYSA-N -1 3 367.434 2.529 20 30 FFEDHM CN1Cc2cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cnc2C1=O ZINC001163765345 1029056010 /nfs/dbraw/zinc/05/60/10/1029056010.db2.gz DCXTUCFVZZQXAA-UHFFFAOYSA-N -1 3 366.299 2.814 20 30 FFEDHM N#Cc1ccc2c(c1)[nH]nc2C(=O)[N-]c1nonc1-c1nc2ccccc2[nH]1 ZINC001156879246 1029387915 /nfs/dbraw/zinc/38/79/15/1029387915.db2.gz ZQRQHMXCROJQFS-UHFFFAOYSA-N -1 3 370.332 2.613 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2CC)cc1 ZINC000797548798 1031150473 /nfs/dbraw/zinc/15/04/73/1031150473.db2.gz OYTJAXKZSJJCAQ-OAHLLOKOSA-N -1 3 354.362 2.980 20 30 FFEDHM COC(=O)c1cnc(Cl)c([N-]C(=O)c2c(F)cc(C#N)cc2F)c1 ZINC001535203274 1069743509 /nfs/dbraw/zinc/74/35/09/1069743509.db2.gz GPWSWTZDOIOEJX-UHFFFAOYSA-N -1 3 351.696 2.924 20 30 FFEDHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)OC3=C(C)O[C@@H](C)C3=O)nc21 ZINC001223404058 1033429983 /nfs/dbraw/zinc/42/99/83/1033429983.db2.gz QDTJJRRUNYJFOK-GYKQLYQFSA-N -1 3 368.748 2.904 20 30 FFEDHM CC1=C(Oc2cc(C)cc([O-])c2I)C(=O)[C@@H](C)O1 ZINC001225509958 1034283101 /nfs/dbraw/zinc/28/31/01/1034283101.db2.gz ADIGGGOEDVBPGO-SSDOTTSWSA-N -1 3 360.147 2.903 20 30 FFEDHM N#Cc1cccnc1N1CCC(Oc2[n-]c(=O)ncc2C(F)(F)F)CC1 ZINC001225576134 1034318088 /nfs/dbraw/zinc/31/80/88/1034318088.db2.gz CQVFBASFSPJQPE-UHFFFAOYSA-N -1 3 365.315 2.515 20 30 FFEDHM N#Cc1ccc2[nH]cc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)c2c1 ZINC001140117738 1035347235 /nfs/dbraw/zinc/34/72/35/1035347235.db2.gz XVNDYSSQYHTHDG-UHFFFAOYSA-N -1 3 360.417 2.703 20 30 FFEDHM CCCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c(OC)c1 ZINC000835077130 1035516287 /nfs/dbraw/zinc/51/62/87/1035516287.db2.gz PEGJXJGGUDAWMZ-HNNXBMFYSA-N -1 3 353.378 2.840 20 30 FFEDHM N#Cc1ccc([O-])c(CN2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC001232677345 1035935130 /nfs/dbraw/zinc/93/51/30/1035935130.db2.gz LHUVXSOGSHITHB-QGZVFWFLSA-N -1 3 352.438 2.519 20 30 FFEDHM COc1c(O[C@@H]2C=CC(=O)C2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234129770 1036932502 /nfs/dbraw/zinc/93/25/02/1036932502.db2.gz KCWWHGVKJFSSDI-GFCCVEGCSA-N -1 3 364.353 2.761 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](COc3cc([O-])cc(C#N)c3)[C@H]2C1 ZINC001234141476 1036937792 /nfs/dbraw/zinc/93/77/92/1036937792.db2.gz OZPRCSKDFMYMPM-IAOVAPTHSA-N -1 3 360.410 2.525 20 30 FFEDHM C=CC(=O)OC[C@@H](COC(=O)C(=C)C)Oc1c(Cl)ccc([O-])c1F ZINC001234263669 1036978448 /nfs/dbraw/zinc/97/84/48/1036978448.db2.gz GPKNMDDHGWKTBF-JTQLQIEISA-N -1 3 358.749 2.781 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2nc[n-]c(=O)c2-c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001234691968 1037144499 /nfs/dbraw/zinc/14/44/99/1037144499.db2.gz LLFRIIYYFWSHRY-ADOMEBDSSA-N -1 3 356.378 2.659 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)Nc2cccc([O-])c2Br)cc1 ZINC001258136178 1039213801 /nfs/dbraw/zinc/21/38/01/1039213801.db2.gz PHGJPWMJNQDWBN-UHFFFAOYSA-N -1 3 353.197 2.827 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C1CCCCC1 ZINC001259816734 1040221722 /nfs/dbraw/zinc/22/17/22/1040221722.db2.gz AYTIGDPCLLPLTG-KRWDZBQOSA-N -1 3 351.468 2.579 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1ccc(F)cc1 ZINC001213720912 1040836201 /nfs/dbraw/zinc/83/62/01/1040836201.db2.gz UIUXTVBAVUUKDM-UHFFFAOYSA-N -1 3 363.370 2.819 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001276735444 1041963310 /nfs/dbraw/zinc/96/33/10/1041963310.db2.gz URMMORUCWQJDIU-CQSZACIVSA-N -1 3 350.409 2.965 20 30 FFEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cn2)C[C@H](C)O1 ZINC001263379121 1042270276 /nfs/dbraw/zinc/27/02/76/1042270276.db2.gz DDDHMTUHOOONBX-GUTXKFCHSA-N -1 3 354.385 2.719 20 30 FFEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(Br)c(C)nc1OC ZINC001263616694 1042403256 /nfs/dbraw/zinc/40/32/56/1042403256.db2.gz DUOADMOAOGUGPR-LLVKDONJSA-N -1 3 363.215 2.868 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1nc(C2CC2)no1 ZINC001318885745 1044924653 /nfs/dbraw/zinc/92/46/53/1044924653.db2.gz BALNXSIIUKLDKD-HNNXBMFYSA-N -1 3 360.439 2.689 20 30 FFEDHM COc1cccc2cc(C[N-]S(=O)(=O)c3ccc(F)cc3C#N)oc21 ZINC001320058093 1045339512 /nfs/dbraw/zinc/33/95/12/1045339512.db2.gz MFHVZVDBVSYUHC-UHFFFAOYSA-N -1 3 360.366 2.931 20 30 FFEDHM CSc1nc(NC(=O)c2cccc(CNc3ncccc3C#N)c2)n[n-]1 ZINC001292381238 1049330110 /nfs/dbraw/zinc/33/01/10/1049330110.db2.gz AYHPUFJYDCRCGJ-UHFFFAOYSA-N -1 3 365.422 2.658 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001298543396 1050470399 /nfs/dbraw/zinc/47/03/99/1050470399.db2.gz QTVQEVAMLBMCQH-HNNXBMFYSA-N -1 3 362.332 2.867 20 30 FFEDHM N#Cc1cc(C#N)c(SCc2cc(=O)[n-]c(-c3ccccc3)n2)nc1N ZINC001307273313 1052278283 /nfs/dbraw/zinc/27/82/83/1052278283.db2.gz GLUDLCALRGXSRE-UHFFFAOYSA-N -1 3 360.402 2.862 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C[C@@H]1CCOC1 ZINC001345441447 1052447935 /nfs/dbraw/zinc/44/79/35/1052447935.db2.gz MOUQAUVCLRPNDE-HNNXBMFYSA-N -1 3 372.473 2.578 20 30 FFEDHM C=CC[C@@H]1N(c2nnc(CCc3nnn[n-]3)n2CC2CC2)CCCC1(C)C ZINC001345751636 1052601032 /nfs/dbraw/zinc/60/10/32/1052601032.db2.gz TVVKHURLQWRVQT-HNNXBMFYSA-N -1 3 370.505 2.558 20 30 FFEDHM C=CC[C@@H]1N(c2nnc(CCc3nn[n-]n3)n2CC2CC2)CCCC1(C)C ZINC001345751636 1052601038 /nfs/dbraw/zinc/60/10/38/1052601038.db2.gz TVVKHURLQWRVQT-HNNXBMFYSA-N -1 3 370.505 2.558 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)C1 ZINC001346032367 1052715127 /nfs/dbraw/zinc/71/51/27/1052715127.db2.gz QPOZLZAEDLLZCS-GFCCVEGCSA-N -1 3 355.423 2.598 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)nc2OC)cc1 ZINC001346249265 1052803840 /nfs/dbraw/zinc/80/38/40/1052803840.db2.gz WAKUGWDKJANVOZ-IUODEOHRSA-N -1 3 354.410 2.903 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c(Cl)c1 ZINC001346248953 1052804087 /nfs/dbraw/zinc/80/40/87/1052804087.db2.gz YVBMQQOBHQZSNH-CMPLNLGQSA-N -1 3 356.831 2.951 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)Cc1ccccc1 ZINC001356132880 1055318910 /nfs/dbraw/zinc/31/89/10/1055318910.db2.gz BDJCSJWBTIBNMK-UHFFFAOYSA-N -1 3 350.426 2.962 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001356152450 1055337676 /nfs/dbraw/zinc/33/76/76/1055337676.db2.gz FBFJCUJLAOYYFJ-UHFFFAOYSA-N -1 3 365.869 2.687 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001356152450 1055337686 /nfs/dbraw/zinc/33/76/86/1055337686.db2.gz FBFJCUJLAOYYFJ-UHFFFAOYSA-N -1 3 365.869 2.687 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](OCCC(C)C)C1 ZINC001356152352 1055337958 /nfs/dbraw/zinc/33/79/58/1055337958.db2.gz BOTUJDIHALZVGO-GFCCVEGCSA-N -1 3 365.869 2.544 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](OCCC(C)C)C1 ZINC001356152352 1055337975 /nfs/dbraw/zinc/33/79/75/1055337975.db2.gz BOTUJDIHALZVGO-GFCCVEGCSA-N -1 3 365.869 2.544 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@H](COC)C3)n2CC)c1[O-] ZINC001352927661 1055940149 /nfs/dbraw/zinc/94/01/49/1055940149.db2.gz YCTJFYORTRXUDQ-INIZCTEOSA-N -1 3 372.469 2.641 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(OCCC(C)C)CC1 ZINC001338963760 1055970894 /nfs/dbraw/zinc/97/08/94/1055970894.db2.gz PVOLDYBDEDOJLV-UHFFFAOYSA-N -1 3 372.473 2.658 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(SC)n1 ZINC001544529945 1071655868 /nfs/dbraw/zinc/65/58/68/1071655868.db2.gz QJSNMHGTIWXLEU-MRVPVSSYSA-N -1 3 361.855 2.501 20 30 FFEDHM CO[C@@](C)(C/N=C\c1c([O-])c(C)ncc1CO)COCc1ccccc1 ZINC000849170716 1056788481 /nfs/dbraw/zinc/78/84/81/1056788481.db2.gz SYJTZCLZBSHGDA-VFCVOOQNSA-N -1 3 358.438 2.629 20 30 FFEDHM C[C@H](CC#N)N(C)c1nnc(-c2nnc(Cl)[n-]2)n1Cc1cccs1 ZINC001518609478 1058440938 /nfs/dbraw/zinc/44/09/38/1058440938.db2.gz YTRIDHBCSVMKBL-SECBINFHSA-N -1 3 362.850 2.565 20 30 FFEDHM C[C@H](CC#N)N(C)c1nnc(-c2n[n-]c(Cl)n2)n1Cc1cccs1 ZINC001518609478 1058440949 /nfs/dbraw/zinc/44/09/49/1058440949.db2.gz YTRIDHBCSVMKBL-SECBINFHSA-N -1 3 362.850 2.565 20 30 FFEDHM COc1ccccc1Nc1ccccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848131624 1059097552 /nfs/dbraw/zinc/09/75/52/1059097552.db2.gz AZLIGYIILVYMQW-MRXNPFEDSA-N -1 3 355.394 2.549 20 30 FFEDHM O=C(CCn1c2ccccc2c2ccccc21)N[C@@H]1CCCN([O-])C1=O ZINC000848138239 1059113459 /nfs/dbraw/zinc/11/34/59/1059113459.db2.gz KTGFLOXDBQAMKZ-MRXNPFEDSA-N -1 3 351.406 2.681 20 30 FFEDHM Cc1nc(NC(=O)N[C@H]2CCCN([O-])C2=O)sc1Cc1ccc(C)cc1 ZINC001476488201 1061420753 /nfs/dbraw/zinc/42/07/53/1061420753.db2.gz NQLCKRLKVWUDCU-AWEZNQCLSA-N -1 3 374.466 2.852 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1Br ZINC001464063721 1062407088 /nfs/dbraw/zinc/40/70/88/1062407088.db2.gz RETUJAGSTBNQHN-WDEREUQCSA-N -1 3 362.293 2.596 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1CC ZINC001479639628 1062685808 /nfs/dbraw/zinc/68/58/08/1062685808.db2.gz HXJQAOIVRYLTHF-JKSUJKDBSA-N -1 3 358.486 2.741 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](Cc2nccs2)C1 ZINC001524189463 1062748679 /nfs/dbraw/zinc/74/86/79/1062748679.db2.gz NVWWBRWQSAIPNV-LBPRGKRZSA-N -1 3 372.454 2.740 20 30 FFEDHM N#CC1(CC(=O)Nc2[n-]ncc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001533729585 1063386402 /nfs/dbraw/zinc/38/64/02/1063386402.db2.gz XDRSFYRJJWZNHE-UHFFFAOYSA-N -1 3 364.814 2.528 20 30 FFEDHM N#CC1(CC(=O)Nc2n[n-]cc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001533729585 1063386420 /nfs/dbraw/zinc/38/64/20/1063386420.db2.gz XDRSFYRJJWZNHE-UHFFFAOYSA-N -1 3 364.814 2.528 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001468372813 1063974960 /nfs/dbraw/zinc/97/49/60/1063974960.db2.gz JWMVSDVVIHACCJ-LLVKDONJSA-N -1 3 354.193 2.708 20 30 FFEDHM C#C[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC001469386576 1064138040 /nfs/dbraw/zinc/13/80/40/1064138040.db2.gz FZGODNOHXRTFRP-IBGZPJMESA-N -1 3 372.428 2.564 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472112230 1064939442 /nfs/dbraw/zinc/93/94/42/1064939442.db2.gz YNFKNBNZFBHCDB-SNVBAGLBSA-N -1 3 351.332 2.732 20 30 FFEDHM N#Cc1cnc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c(Cl)c1 ZINC001472288698 1065002364 /nfs/dbraw/zinc/00/23/64/1065002364.db2.gz PSRXSUUVVBZJFF-HAQNSBGRSA-N -1 3 357.801 2.558 20 30 FFEDHM O=C(Cn1nnnc1-c1ccsc1)N([O-])CCCCc1ccccc1 ZINC001472619902 1065112531 /nfs/dbraw/zinc/11/25/31/1065112531.db2.gz YGSGGHDPKYJMEO-UHFFFAOYSA-N -1 3 357.439 2.642 20 30 FFEDHM N#Cc1ccc(N2C[C@H](C(=O)N([O-])Cc3ccccc3Cl)CC2=O)cc1 ZINC001472618737 1065112575 /nfs/dbraw/zinc/11/25/75/1065112575.db2.gz GGKXEYYGNUYIKL-OAHLLOKOSA-N -1 3 369.808 2.983 20 30 FFEDHM CC[C@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001576485264 1078234154 /nfs/dbraw/zinc/23/41/54/1078234154.db2.gz ZOHZBCNLZDCSAL-CQSZACIVSA-N -1 3 362.393 2.934 20 30 FFEDHM CC[C@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001576485264 1078234157 /nfs/dbraw/zinc/23/41/57/1078234157.db2.gz ZOHZBCNLZDCSAL-CQSZACIVSA-N -1 3 362.393 2.934 20 30 FFEDHM CCC(C)(C)N(CCC#N)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001576545409 1078241521 /nfs/dbraw/zinc/24/15/21/1078241521.db2.gz IBUPLOVIXMIXHO-JKSUJKDBSA-N -1 3 352.442 2.901 20 30 FFEDHM CCC(C)(C)N(CCC#N)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001576545409 1078241525 /nfs/dbraw/zinc/24/15/25/1078241525.db2.gz IBUPLOVIXMIXHO-JKSUJKDBSA-N -1 3 352.442 2.901 20 30 FFEDHM CN(CCOCc1ccc(C#N)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC001579230015 1078593766 /nfs/dbraw/zinc/59/37/66/1078593766.db2.gz PNYIYFIESPXXBS-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1Cn1cc(C#N)c(=O)c2ccccc21 ZINC001580616673 1078838342 /nfs/dbraw/zinc/83/83/42/1078838342.db2.gz LIEMWKUNMFMCQU-UHFFFAOYSA-N -1 3 356.389 2.718 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1Cn1cc(C#N)c(=O)c2ccccc21 ZINC001580616673 1078838346 /nfs/dbraw/zinc/83/83/46/1078838346.db2.gz LIEMWKUNMFMCQU-UHFFFAOYSA-N -1 3 356.389 2.718 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1 ZINC001580769022 1078857445 /nfs/dbraw/zinc/85/74/45/1078857445.db2.gz XAGZFFRMXNOTKC-UHFFFAOYSA-N -1 3 367.800 2.585 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1 ZINC001580769022 1078857449 /nfs/dbraw/zinc/85/74/49/1078857449.db2.gz XAGZFFRMXNOTKC-UHFFFAOYSA-N -1 3 367.800 2.585 20 30 FFEDHM N#CCc1cccc(NCc2cc(-c3nnn[n-]3)ccc2Br)n1 ZINC001581859851 1079009030 /nfs/dbraw/zinc/00/90/30/1079009030.db2.gz YUPHAXGMCPIBCJ-UHFFFAOYSA-N -1 3 370.214 2.702 20 30 FFEDHM N#CCc1cccc(NCc2cc(-c3nn[n-]n3)ccc2Br)n1 ZINC001581859851 1079009035 /nfs/dbraw/zinc/00/90/35/1079009035.db2.gz YUPHAXGMCPIBCJ-UHFFFAOYSA-N -1 3 370.214 2.702 20 30 FFEDHM N#Cc1cc(C(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)ccc1Cl ZINC001581864033 1079009799 /nfs/dbraw/zinc/00/97/99/1079009799.db2.gz BYANGUUIWVFEND-UHFFFAOYSA-N -1 3 364.796 2.985 20 30 FFEDHM N#Cc1cc(C(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)ccc1Cl ZINC001581864033 1079009806 /nfs/dbraw/zinc/00/98/06/1079009806.db2.gz BYANGUUIWVFEND-UHFFFAOYSA-N -1 3 364.796 2.985 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001581874160 1079010295 /nfs/dbraw/zinc/01/02/95/1079010295.db2.gz GPIFXRKLKFEQDW-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001581874160 1079010299 /nfs/dbraw/zinc/01/02/99/1079010299.db2.gz GPIFXRKLKFEQDW-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1cccc([C@@H](NCc2ccncc2-c2nnn[n-]2)C(F)(F)F)c1 ZINC001581874918 1079012203 /nfs/dbraw/zinc/01/22/03/1079012203.db2.gz NYDOMIXXPDDDIL-CQSZACIVSA-N -1 3 359.315 2.527 20 30 FFEDHM N#Cc1cccc([C@@H](NCc2ccncc2-c2nn[n-]n2)C(F)(F)F)c1 ZINC001581874918 1079012212 /nfs/dbraw/zinc/01/22/12/1079012212.db2.gz NYDOMIXXPDDDIL-CQSZACIVSA-N -1 3 359.315 2.527 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1ccc(F)c(F)c1 ZINC001561430218 1076375853 /nfs/dbraw/zinc/37/58/53/1076375853.db2.gz NNFFBCAKRCKVCV-INIZCTEOSA-N -1 3 370.352 2.642 20 30 FFEDHM N#CCSc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001570237533 1077192770 /nfs/dbraw/zinc/19/27/70/1077192770.db2.gz YLTHMAZDJNBGCT-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM N#CCSc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001570237533 1077192773 /nfs/dbraw/zinc/19/27/73/1077192773.db2.gz YLTHMAZDJNBGCT-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM Brc1ccc(-c2nnn[n-]2)cc1N=NC1CCCOCC1 ZINC001588321192 1079976687 /nfs/dbraw/zinc/97/66/87/1079976687.db2.gz VMDVQVPAWYTLAX-UHFFFAOYSA-N -1 3 351.208 2.598 20 30 FFEDHM Brc1ccc(-c2nn[n-]n2)cc1N=NC1CCCOCC1 ZINC001588321192 1079976691 /nfs/dbraw/zinc/97/66/91/1079976691.db2.gz VMDVQVPAWYTLAX-UHFFFAOYSA-N -1 3 351.208 2.598 20 30 FFEDHM C#C[C@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329240 1079985830 /nfs/dbraw/zinc/98/58/30/1079985830.db2.gz BCMKTPHPFBLIHA-KDOFPFPSSA-N -1 3 360.421 2.944 20 30 FFEDHM C#C[C@H](NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329240 1079985838 /nfs/dbraw/zinc/98/58/38/1079985838.db2.gz BCMKTPHPFBLIHA-KDOFPFPSSA-N -1 3 360.421 2.944 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588329952 1079985912 /nfs/dbraw/zinc/98/59/12/1079985912.db2.gz ROHUWZDVPIAVPK-CQSZACIVSA-N -1 3 354.320 2.641 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588329952 1079985917 /nfs/dbraw/zinc/98/59/17/1079985917.db2.gz ROHUWZDVPIAVPK-CQSZACIVSA-N -1 3 354.320 2.641 20 30 FFEDHM C#CC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)CC1 ZINC001588331104 1079987861 /nfs/dbraw/zinc/98/78/61/1079987861.db2.gz OAXYQUAADKZOQK-UHFFFAOYSA-N -1 3 370.363 2.866 20 30 FFEDHM C#CC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)CC1 ZINC001588331104 1079987864 /nfs/dbraw/zinc/98/78/64/1079987864.db2.gz OAXYQUAADKZOQK-UHFFFAOYSA-N -1 3 370.363 2.866 20 30 FFEDHM C#CC[C@H]1CCCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001588337124 1079988363 /nfs/dbraw/zinc/98/83/63/1079988363.db2.gz JOLYQSBVIXHJLE-AWEZNQCLSA-N -1 3 361.409 2.689 20 30 FFEDHM C#CC[C@H]1CCCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001588337124 1079988367 /nfs/dbraw/zinc/98/83/67/1079988367.db2.gz JOLYQSBVIXHJLE-AWEZNQCLSA-N -1 3 361.409 2.689 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588335687 1079989361 /nfs/dbraw/zinc/98/93/61/1079989361.db2.gz UVTQOFOAPIZIRQ-MRXNPFEDSA-N -1 3 367.453 2.678 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588335687 1079989365 /nfs/dbraw/zinc/98/93/65/1079989365.db2.gz UVTQOFOAPIZIRQ-MRXNPFEDSA-N -1 3 367.453 2.678 20 30 FFEDHM C#CCCCCCCn1cc(COc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001588345797 1079990285 /nfs/dbraw/zinc/99/02/85/1079990285.db2.gz LIIZIGOTYMYWIW-UHFFFAOYSA-N -1 3 351.414 2.621 20 30 FFEDHM C#CCCCCCCn1cc(COc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001588345797 1079990288 /nfs/dbraw/zinc/99/02/88/1079990288.db2.gz LIIZIGOTYMYWIW-UHFFFAOYSA-N -1 3 351.414 2.621 20 30 FFEDHM C#CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588338405 1079990424 /nfs/dbraw/zinc/99/04/24/1079990424.db2.gz KVQZIXBKHDXTAV-CHWSQXEVSA-N -1 3 358.421 2.505 20 30 FFEDHM C#CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588338405 1079990426 /nfs/dbraw/zinc/99/04/26/1079990426.db2.gz KVQZIXBKHDXTAV-CHWSQXEVSA-N -1 3 358.421 2.505 20 30 FFEDHM C#CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCc2ccccc21 ZINC001588348464 1079991740 /nfs/dbraw/zinc/99/17/40/1079991740.db2.gz XKMYGHMRLIBSGL-QGZVFWFLSA-N -1 3 373.420 2.806 20 30 FFEDHM C#CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCc2ccccc21 ZINC001588348464 1079991746 /nfs/dbraw/zinc/99/17/46/1079991746.db2.gz XKMYGHMRLIBSGL-QGZVFWFLSA-N -1 3 373.420 2.806 20 30 FFEDHM C#CCOc1cccc(Cl)c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001588361979 1079994327 /nfs/dbraw/zinc/99/43/27/1079994327.db2.gz OHFZFHLXNQTCMJ-UHFFFAOYSA-N -1 3 352.785 2.978 20 30 FFEDHM C#CCOc1cccc(Cl)c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001588361979 1079994332 /nfs/dbraw/zinc/99/43/32/1079994332.db2.gz OHFZFHLXNQTCMJ-UHFFFAOYSA-N -1 3 352.785 2.978 20 30 FFEDHM C#Cc1ccccc1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588376806 1079997365 /nfs/dbraw/zinc/99/73/65/1079997365.db2.gz LQMINEXIJVALSB-UHFFFAOYSA-N -1 3 352.781 2.787 20 30 FFEDHM C#Cc1ccccc1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588376806 1079997367 /nfs/dbraw/zinc/99/73/67/1079997367.db2.gz LQMINEXIJVALSB-UHFFFAOYSA-N -1 3 352.781 2.787 20 30 FFEDHM C#Cc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001588374916 1079997489 /nfs/dbraw/zinc/99/74/89/1079997489.db2.gz WJKWIFSIBRZYPP-UHFFFAOYSA-N -1 3 353.769 2.519 20 30 FFEDHM C#Cc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001588374916 1079997496 /nfs/dbraw/zinc/99/74/96/1079997496.db2.gz WJKWIFSIBRZYPP-UHFFFAOYSA-N -1 3 353.769 2.519 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588392448 1080004718 /nfs/dbraw/zinc/00/47/18/1080004718.db2.gz ZZOXLDHMIVTRBT-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588392448 1080004728 /nfs/dbraw/zinc/00/47/28/1080004728.db2.gz ZZOXLDHMIVTRBT-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC001588394179 1080006655 /nfs/dbraw/zinc/00/66/55/1080006655.db2.gz WBEYJEUERSBTMO-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC001588394179 1080006660 /nfs/dbraw/zinc/00/66/60/1080006660.db2.gz WBEYJEUERSBTMO-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588406488 1080011747 /nfs/dbraw/zinc/01/17/47/1080011747.db2.gz UYMGOJPJLUMVBI-BBRMVZONSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588406488 1080011760 /nfs/dbraw/zinc/01/17/60/1080011760.db2.gz UYMGOJPJLUMVBI-BBRMVZONSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C(C)C[C@@H](CO)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588405695 1080011887 /nfs/dbraw/zinc/01/18/87/1080011887.db2.gz OXWUWKRAASTREZ-ZDUSSCGKSA-N -1 3 363.425 2.715 20 30 FFEDHM C=C(C)C[C@@H](CO)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588405695 1080011893 /nfs/dbraw/zinc/01/18/93/1080011893.db2.gz OXWUWKRAASTREZ-ZDUSSCGKSA-N -1 3 363.425 2.715 20 30 FFEDHM C=C(C)COCCNC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588429063 1080025460 /nfs/dbraw/zinc/02/54/60/1080025460.db2.gz NFLDZHPXCCKWCF-UHFFFAOYSA-N -1 3 357.439 2.712 20 30 FFEDHM C=C(C)COCCNC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588429063 1080025466 /nfs/dbraw/zinc/02/54/66/1080025466.db2.gz NFLDZHPXCCKWCF-UHFFFAOYSA-N -1 3 357.439 2.712 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CCC1CC1 ZINC001588429257 1080025611 /nfs/dbraw/zinc/02/56/11/1080025611.db2.gz FRMUVBALERPNTF-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CCC1CC1 ZINC001588429257 1080025619 /nfs/dbraw/zinc/02/56/19/1080025619.db2.gz FRMUVBALERPNTF-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=C(Cl)C[C@H](Nc1cc(C)cc(F)c1-c1nnn[n-]1)C(=O)OCC ZINC001588449046 1080031420 /nfs/dbraw/zinc/03/14/20/1080031420.db2.gz DYRRNFAIQLZBLN-LBPRGKRZSA-N -1 3 353.785 2.800 20 30 FFEDHM C=C(Cl)C[C@H](Nc1cc(C)cc(F)c1-c1nn[n-]n1)C(=O)OCC ZINC001588449046 1080031430 /nfs/dbraw/zinc/03/14/30/1080031430.db2.gz DYRRNFAIQLZBLN-LBPRGKRZSA-N -1 3 353.785 2.800 20 30 FFEDHM C=C1CCC(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)C)CC1 ZINC001588461140 1080036262 /nfs/dbraw/zinc/03/62/62/1080036262.db2.gz KLLAXRHNTFMQMJ-QGZVFWFLSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CCC(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)C)CC1 ZINC001588461140 1080036272 /nfs/dbraw/zinc/03/62/72/1080036272.db2.gz KLLAXRHNTFMQMJ-QGZVFWFLSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588476071 1080044285 /nfs/dbraw/zinc/04/42/85/1080044285.db2.gz UUUILTPIQSJYMF-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588476071 1080044298 /nfs/dbraw/zinc/04/42/98/1080044298.db2.gz UUUILTPIQSJYMF-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)CC(C)C ZINC001588484881 1080049831 /nfs/dbraw/zinc/04/98/31/1080049831.db2.gz QZKRJLQKLJTNFW-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)CC(C)C ZINC001588484881 1080049840 /nfs/dbraw/zinc/04/98/40/1080049840.db2.gz QZKRJLQKLJTNFW-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588491019 1080051663 /nfs/dbraw/zinc/05/16/63/1080051663.db2.gz CCRYBBACQPUCOY-IFXJQAMLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588491019 1080051672 /nfs/dbraw/zinc/05/16/72/1080051672.db2.gz CCRYBBACQPUCOY-IFXJQAMLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588518843 1080070001 /nfs/dbraw/zinc/07/00/01/1080070001.db2.gz MDSFQKOYEKBMPP-CZUORRHYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588518843 1080070009 /nfs/dbraw/zinc/07/00/09/1080070009.db2.gz MDSFQKOYEKBMPP-CZUORRHYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588520510 1080071133 /nfs/dbraw/zinc/07/11/33/1080071133.db2.gz CDGYRKRCLMVLPE-STQMWFEESA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588520510 1080071138 /nfs/dbraw/zinc/07/11/38/1080071138.db2.gz CDGYRKRCLMVLPE-STQMWFEESA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1)c1ccccc1 ZINC001588530242 1080080398 /nfs/dbraw/zinc/08/03/98/1080080398.db2.gz JEKBNKRVLVXEDX-INIZCTEOSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CC[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1)c1ccccc1 ZINC001588530242 1080080407 /nfs/dbraw/zinc/08/04/07/1080080407.db2.gz JEKBNKRVLVXEDX-INIZCTEOSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CCC(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588533418 1080083543 /nfs/dbraw/zinc/08/35/43/1080083543.db2.gz XLYCVJVSTFNUMI-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588533418 1080083552 /nfs/dbraw/zinc/08/35/52/1080083552.db2.gz XLYCVJVSTFNUMI-UHFFFAOYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588537873 1080084794 /nfs/dbraw/zinc/08/47/94/1080084794.db2.gz AYJARWNYHSRULZ-HAQNSBGRSA-N -1 3 358.421 2.667 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588537873 1080084802 /nfs/dbraw/zinc/08/48/02/1080084802.db2.gz AYJARWNYHSRULZ-HAQNSBGRSA-N -1 3 358.421 2.667 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001588539498 1080086445 /nfs/dbraw/zinc/08/64/45/1080086445.db2.gz NNLYQRSJSFPIDC-UHFFFAOYSA-N -1 3 364.247 2.961 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001588539498 1080086452 /nfs/dbraw/zinc/08/64/52/1080086452.db2.gz NNLYQRSJSFPIDC-UHFFFAOYSA-N -1 3 364.247 2.961 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@H](C)[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588544666 1080089403 /nfs/dbraw/zinc/08/94/03/1080089403.db2.gz OVTBTOSNZYOPCJ-UONOGXRCSA-N -1 3 369.473 2.644 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@H](C)[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588544666 1080089412 /nfs/dbraw/zinc/08/94/12/1080089412.db2.gz OVTBTOSNZYOPCJ-UONOGXRCSA-N -1 3 369.473 2.644 20 30 FFEDHM C=CCC1(C(=O)N(C)CCN(C)Cc2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001588548855 1080090378 /nfs/dbraw/zinc/09/03/78/1080090378.db2.gz INGCRHVZACTERV-UHFFFAOYSA-N -1 3 374.514 2.565 20 30 FFEDHM C=CCC1(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CCOCC1 ZINC001588551710 1080092582 /nfs/dbraw/zinc/09/25/82/1080092582.db2.gz GOIOKYGCYUUQTD-QGZVFWFLSA-N -1 3 367.453 2.733 20 30 FFEDHM C=CCC1(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CCOCC1 ZINC001588551710 1080092590 /nfs/dbraw/zinc/09/25/90/1080092590.db2.gz GOIOKYGCYUUQTD-QGZVFWFLSA-N -1 3 367.453 2.733 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCCCC1 ZINC001588556837 1080095148 /nfs/dbraw/zinc/09/51/48/1080095148.db2.gz GFCPEIOQRMRABR-UHFFFAOYSA-N -1 3 361.471 2.732 20 30 FFEDHM C=CCC1(NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCCCC1 ZINC001588556837 1080095156 /nfs/dbraw/zinc/09/51/56/1080095156.db2.gz GFCPEIOQRMRABR-UHFFFAOYSA-N -1 3 361.471 2.732 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)C1 ZINC001588559698 1080096310 /nfs/dbraw/zinc/09/63/10/1080096310.db2.gz KYRCGKOKYUUOLO-ZDUSSCGKSA-N -1 3 355.417 2.852 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)C1 ZINC001588559698 1080096321 /nfs/dbraw/zinc/09/63/21/1080096321.db2.gz KYRCGKOKYUUOLO-ZDUSSCGKSA-N -1 3 355.417 2.852 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588569566 1080102525 /nfs/dbraw/zinc/10/25/25/1080102525.db2.gz CVEFCNCBBDRVDA-CHWSQXEVSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588569566 1080102527 /nfs/dbraw/zinc/10/25/27/1080102527.db2.gz CVEFCNCBBDRVDA-CHWSQXEVSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588588257 1080111361 /nfs/dbraw/zinc/11/13/61/1080111361.db2.gz ICQHAPTVFMSDKN-OAHLLOKOSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588588257 1080111365 /nfs/dbraw/zinc/11/13/65/1080111365.db2.gz ICQHAPTVFMSDKN-OAHLLOKOSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccccc1C#N ZINC001588639438 1080132402 /nfs/dbraw/zinc/13/24/02/1080132402.db2.gz AEDVRPBIVALCBA-KHPPLWFESA-N -1 3 370.416 2.966 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccccc1C#N ZINC001588639438 1080132404 /nfs/dbraw/zinc/13/24/04/1080132404.db2.gz AEDVRPBIVALCBA-KHPPLWFESA-N -1 3 370.416 2.966 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1OCC#N ZINC001588648713 1080138125 /nfs/dbraw/zinc/13/81/25/1080138125.db2.gz UEPOKCYPBZMZJH-UHFFFAOYSA-N -1 3 374.404 2.597 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1OCC#N ZINC001588648713 1080138130 /nfs/dbraw/zinc/13/81/30/1080138130.db2.gz UEPOKCYPBZMZJH-UHFFFAOYSA-N -1 3 374.404 2.597 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588652147 1080142248 /nfs/dbraw/zinc/14/22/48/1080142248.db2.gz LPMBIIHIUJCVHP-KHPPLWFESA-N -1 3 370.416 2.966 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588652147 1080142253 /nfs/dbraw/zinc/14/22/53/1080142253.db2.gz LPMBIIHIUJCVHP-KHPPLWFESA-N -1 3 370.416 2.966 20 30 FFEDHM C=CCOCCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588682209 1080152495 /nfs/dbraw/zinc/15/24/95/1080152495.db2.gz KEASZFCDRAXTAQ-UHFFFAOYSA-N -1 3 364.475 2.940 20 30 FFEDHM C=CCOCCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588682209 1080152501 /nfs/dbraw/zinc/15/25/01/1080152501.db2.gz KEASZFCDRAXTAQ-UHFFFAOYSA-N -1 3 364.475 2.940 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC001588703304 1080161760 /nfs/dbraw/zinc/16/17/60/1080161760.db2.gz MRNSIPJKPGNDQP-UHFFFAOYSA-N -1 3 365.393 2.511 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC001588703304 1080161764 /nfs/dbraw/zinc/16/17/64/1080161764.db2.gz MRNSIPJKPGNDQP-UHFFFAOYSA-N -1 3 365.393 2.511 20 30 FFEDHM CC#CCCCC(=O)N[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001588740001 1080177203 /nfs/dbraw/zinc/17/72/03/1080177203.db2.gz CNNBYASVZHMFMO-INIZCTEOSA-N -1 3 370.432 2.506 20 30 FFEDHM CC#CCCCC(=O)N[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001588740001 1080177209 /nfs/dbraw/zinc/17/72/09/1080177209.db2.gz CNNBYASVZHMFMO-INIZCTEOSA-N -1 3 370.432 2.506 20 30 FFEDHM CC#CCCCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001588746564 1080180060 /nfs/dbraw/zinc/18/00/60/1080180060.db2.gz UDEZLRYSXUDHIR-UHFFFAOYSA-N -1 3 369.816 2.838 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588937366 1080272619 /nfs/dbraw/zinc/27/26/19/1080272619.db2.gz ZDTUZAUXBMFXLY-SECBINFHSA-N -1 3 355.383 2.863 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588937366 1080272628 /nfs/dbraw/zinc/27/26/28/1080272628.db2.gz ZDTUZAUXBMFXLY-SECBINFHSA-N -1 3 355.383 2.863 20 30 FFEDHM CC(C)(C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21)c1ccc(C#N)cc1 ZINC001589041982 1080320108 /nfs/dbraw/zinc/32/01/08/1080320108.db2.gz VRCNIPGZJPQSGS-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)(C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21)c1ccc(C#N)cc1 ZINC001589041982 1080320114 /nfs/dbraw/zinc/32/01/14/1080320114.db2.gz VRCNIPGZJPQSGS-UHFFFAOYSA-N -1 3 358.405 2.605 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(C#N)cc1 ZINC001589058794 1080331318 /nfs/dbraw/zinc/33/13/18/1080331318.db2.gz YQYFSBYGUCMYNJ-UHFFFAOYSA-N -1 3 357.377 2.526 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(C#N)cc1 ZINC001589058794 1080331320 /nfs/dbraw/zinc/33/13/20/1080331320.db2.gz YQYFSBYGUCMYNJ-UHFFFAOYSA-N -1 3 357.377 2.526 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC001589463703 1080545414 /nfs/dbraw/zinc/54/54/14/1080545414.db2.gz JVJLPCNSCDMDSO-RISCZKNCSA-N -1 3 366.377 2.649 20 30 FFEDHM CC(CCn1cccn1)N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001589836156 1080787122 /nfs/dbraw/zinc/78/71/22/1080787122.db2.gz KMOUZCDTONQGCN-UHFFFAOYSA-N -1 3 364.335 2.960 20 30 FFEDHM CC(CCn1cccn1)N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001589836156 1080787128 /nfs/dbraw/zinc/78/71/28/1080787128.db2.gz KMOUZCDTONQGCN-UHFFFAOYSA-N -1 3 364.335 2.960 20 30 FFEDHM CC(Cn1cccn1)N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001589904000 1080853821 /nfs/dbraw/zinc/85/38/21/1080853821.db2.gz HKGVOHXNRRFAOO-UHFFFAOYSA-N -1 3 350.308 2.570 20 30 FFEDHM CC(Cn1cccn1)N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001589904000 1080853824 /nfs/dbraw/zinc/85/38/24/1080853824.db2.gz HKGVOHXNRRFAOO-UHFFFAOYSA-N -1 3 350.308 2.570 20 30 FFEDHM C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001589937374 1080882121 /nfs/dbraw/zinc/88/21/21/1080882121.db2.gz CVBHLQXHQOHVMN-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM N#Cc1ccc(Br)c(CN[C@@H](Cc2cncs2)C(=O)[O-])c1 ZINC001608199081 1126236140 /nfs/dbraw/zinc/23/61/40/1126236140.db2.gz QTWMEKYCKAPRML-ZDUSSCGKSA-N -1 3 366.240 2.563 20 30 FFEDHM Cc1cc(=NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)[n-]nc1C ZINC000532324296 540152738 /nfs/dbraw/zinc/15/27/38/540152738.db2.gz CIXCYJPQWVLUGP-UHFFFAOYSA-N -1 3 352.442 2.561 20 30 FFEDHM COc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1[N+](=O)[O-] ZINC000272777210 252129730 /nfs/dbraw/zinc/12/97/30/252129730.db2.gz GVNZHLCIIFGXBY-UHFFFAOYSA-N -1 3 370.365 2.764 20 30 FFEDHM CCOc1c(Cl)cc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1OC ZINC000286549235 257042471 /nfs/dbraw/zinc/04/24/71/257042471.db2.gz HMGWMTAIWDYKJP-UHFFFAOYSA-N -1 3 370.814 2.690 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)OCCc2sccc21 ZINC000290111781 257315841 /nfs/dbraw/zinc/31/58/41/257315841.db2.gz JSOAMYHDNVRVNZ-KRWDZBQOSA-N -1 3 362.476 2.527 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000299539630 258003767 /nfs/dbraw/zinc/00/37/67/258003767.db2.gz OSXVBLDJKMGRFJ-MRXNPFEDSA-N -1 3 353.426 2.685 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1C#N ZINC000330735875 258169535 /nfs/dbraw/zinc/16/95/35/258169535.db2.gz MWXQSIBYWIGTNE-UHFFFAOYSA-N -1 3 362.499 2.573 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCN(C2CCCC2)C1 ZINC000331914337 258205851 /nfs/dbraw/zinc/20/58/51/258205851.db2.gz INNBNWHQTMXTBZ-GFCCVEGCSA-N -1 3 353.875 2.507 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)s2)s1 ZINC000230340913 509437319 /nfs/dbraw/zinc/43/73/19/509437319.db2.gz HWURKEJYCPJTOU-UHFFFAOYSA-N -1 3 363.283 2.922 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000066397078 506506383 /nfs/dbraw/zinc/50/63/83/506506383.db2.gz LIVTYAGTFHCFEK-KRWDZBQOSA-N -1 3 352.438 2.608 20 30 FFEDHM CCOCc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000043756258 506776356 /nfs/dbraw/zinc/77/63/56/506776356.db2.gz QMSNLCNPPCFTIY-UHFFFAOYSA-N -1 3 367.449 2.649 20 30 FFEDHM COc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000029046592 507755037 /nfs/dbraw/zinc/75/50/37/507755037.db2.gz OLOGHJVMRLYXDI-SFHVURJKSA-N -1 3 369.396 2.563 20 30 FFEDHM C=CCc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(OC)c1OC ZINC000029389477 507776546 /nfs/dbraw/zinc/77/65/46/507776546.db2.gz LSSPBXCMYBALMO-UHFFFAOYSA-N -1 3 356.304 2.822 20 30 FFEDHM C=CCc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(OC)c1OC ZINC000029389477 507776550 /nfs/dbraw/zinc/77/65/50/507776550.db2.gz LSSPBXCMYBALMO-UHFFFAOYSA-N -1 3 356.304 2.822 20 30 FFEDHM C=C[C@H](CC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000091753126 508008308 /nfs/dbraw/zinc/00/83/08/508008308.db2.gz KBBWEKFUSDWJAC-CRAIPNDOSA-N -1 3 363.417 2.736 20 30 FFEDHM CCC1(CC)[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@H](C)[C@@H]1OC ZINC000092556670 508081778 /nfs/dbraw/zinc/08/17/78/508081778.db2.gz IVMXMGVDZIZCNZ-ZNOIYHFQSA-N -1 3 373.497 2.752 20 30 FFEDHM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000075536165 508114992 /nfs/dbraw/zinc/11/49/92/508114992.db2.gz QXQPQLLOVWVCQA-MRVPVSSYSA-N -1 3 361.349 2.928 20 30 FFEDHM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000075536165 508114995 /nfs/dbraw/zinc/11/49/95/508114995.db2.gz QXQPQLLOVWVCQA-MRVPVSSYSA-N -1 3 361.349 2.928 20 30 FFEDHM C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)C(C)C ZINC000081725028 508206161 /nfs/dbraw/zinc/20/61/61/508206161.db2.gz VIZPFDFPKSXZSJ-INIZCTEOSA-N -1 3 374.529 2.804 20 30 FFEDHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000076462237 508209972 /nfs/dbraw/zinc/20/99/72/508209972.db2.gz NJFAAEGJRRQHFC-UHFFFAOYSA-N -1 3 360.395 2.883 20 30 FFEDHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000076462237 508209974 /nfs/dbraw/zinc/20/99/74/508209974.db2.gz NJFAAEGJRRQHFC-UHFFFAOYSA-N -1 3 360.395 2.883 20 30 FFEDHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000076462237 508209977 /nfs/dbraw/zinc/20/99/77/508209977.db2.gz NJFAAEGJRRQHFC-UHFFFAOYSA-N -1 3 360.395 2.883 20 30 FFEDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000157276709 508546128 /nfs/dbraw/zinc/54/61/28/508546128.db2.gz MKKKKCIPTDMUPW-UHFFFAOYSA-N -1 3 367.471 2.972 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000153116347 508549365 /nfs/dbraw/zinc/54/93/65/508549365.db2.gz DMUMIXVZXYCNQT-UHFFFAOYSA-N -1 3 353.260 2.925 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000128213903 508564101 /nfs/dbraw/zinc/56/41/01/508564101.db2.gz WARFGCHYGPIKBW-GFCCVEGCSA-N -1 3 354.391 2.648 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1ccccc1F ZINC000122650786 508567922 /nfs/dbraw/zinc/56/79/22/508567922.db2.gz WUBHJJLZTVGPCW-NSHDSACASA-N -1 3 352.362 2.582 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000157835540 508619852 /nfs/dbraw/zinc/61/98/52/508619852.db2.gz JFEYXWBJPLRHLM-OLZOCXBDSA-N -1 3 362.373 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000135666679 508638815 /nfs/dbraw/zinc/63/88/15/508638815.db2.gz QDVOUEWELKNHQU-UHFFFAOYSA-N -1 3 367.493 2.985 20 30 FFEDHM CCOc1cc(C)ccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000151056233 508948115 /nfs/dbraw/zinc/94/81/15/508948115.db2.gz LBNBUBVTSNVSJX-UHFFFAOYSA-N -1 3 367.449 2.820 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000120430404 508995052 /nfs/dbraw/zinc/99/50/52/508995052.db2.gz YJFHFUHMSQOVRM-UHFFFAOYSA-N -1 3 360.410 2.965 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1 ZINC000155509344 509016411 /nfs/dbraw/zinc/01/64/11/509016411.db2.gz YOPAAJITMFOVCP-NSHDSACASA-N -1 3 359.432 2.528 20 30 FFEDHM N#C[C@@H]1CN(C(=O)Cc2ccc([O-])cc2Cl)CCN1Cc1ccccc1 ZINC000151759234 509077895 /nfs/dbraw/zinc/07/78/95/509077895.db2.gz BJDJKJYHFGIBJT-QGZVFWFLSA-N -1 3 369.852 2.825 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cnn(-c2ccccc2)c1 ZINC000156309716 509157905 /nfs/dbraw/zinc/15/79/05/509157905.db2.gz LDEJNHCORLOPAQ-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM N#C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000182410188 509224068 /nfs/dbraw/zinc/22/40/68/509224068.db2.gz JQNZWGLPTLZXAT-MOPGFXCFSA-N -1 3 363.417 2.672 20 30 FFEDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188989208 509357638 /nfs/dbraw/zinc/35/76/38/509357638.db2.gz HUTCBHJKDMVGEF-AWEZNQCLSA-N -1 3 350.422 2.614 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000163335709 509364357 /nfs/dbraw/zinc/36/43/57/509364357.db2.gz VHTVWFGQUVYTMI-NVXWUHKLSA-N -1 3 360.410 2.896 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000248608669 509387204 /nfs/dbraw/zinc/38/72/04/509387204.db2.gz VUZIAUYKXJWRHL-APHBMKBZSA-N -1 3 366.870 2.838 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000248608674 509390274 /nfs/dbraw/zinc/39/02/74/509390274.db2.gz VUZIAUYKXJWRHL-DAXOMENPSA-N -1 3 366.870 2.838 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c(F)c1 ZINC000163717327 509415871 /nfs/dbraw/zinc/41/58/71/509415871.db2.gz ONGKAOIDOFXMAT-UHFFFAOYSA-N -1 3 372.375 2.574 20 30 FFEDHM N#Cc1ccc(CN2CC[C@H](NCc3c([O-])ccc(Cl)c3F)C2=O)cc1 ZINC000192243121 509422686 /nfs/dbraw/zinc/42/26/86/509422686.db2.gz KGCARAICFANKQO-INIZCTEOSA-N -1 3 373.815 2.947 20 30 FFEDHM C=C(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccc(F)c(F)c1 ZINC000186134961 509539172 /nfs/dbraw/zinc/53/91/72/509539172.db2.gz DJLRNJMGDKJKOR-HNNXBMFYSA-N -1 3 371.361 2.940 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCC[C@@H](C)C1 ZINC000249294641 509650753 /nfs/dbraw/zinc/65/07/53/509650753.db2.gz MBBLVSGBXWQORT-CHWSQXEVSA-N -1 3 355.891 2.610 20 30 FFEDHM N#Cc1csc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000179872960 509655711 /nfs/dbraw/zinc/65/57/11/509655711.db2.gz JBPBDEITHLIVBA-UHFFFAOYSA-N -1 3 367.521 2.624 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000264731708 509671185 /nfs/dbraw/zinc/67/11/85/509671185.db2.gz ZKHHIOKFLRRFCF-UHFFFAOYSA-N -1 3 353.304 2.883 20 30 FFEDHM N#Cc1cccc(OCCCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000264731708 509671192 /nfs/dbraw/zinc/67/11/92/509671192.db2.gz ZKHHIOKFLRRFCF-UHFFFAOYSA-N -1 3 353.304 2.883 20 30 FFEDHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)Cc2cccc(C#N)c2)c(C)c1 ZINC000192966517 509717885 /nfs/dbraw/zinc/71/78/85/509717885.db2.gz KRKIAMLBUZIWOV-UHFFFAOYSA-N -1 3 371.462 2.542 20 30 FFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180123628 509763919 /nfs/dbraw/zinc/76/39/19/509763919.db2.gz CGAPDYUMUCECDS-UHFFFAOYSA-N -1 3 353.831 2.803 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000176969803 509789884 /nfs/dbraw/zinc/78/98/84/509789884.db2.gz UVWKNVPZTHPTAZ-LJQANCHMSA-N -1 3 369.446 2.631 20 30 FFEDHM O=C(CN[C@H](c1c(F)cccc1F)C(F)(F)F)[N-]CC(F)(F)F ZINC000183458550 509802127 /nfs/dbraw/zinc/80/21/27/509802127.db2.gz USYGNYUGMCODKW-SNVBAGLBSA-N -1 3 350.209 2.836 20 30 FFEDHM CCN1CCN(c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)c(C)c2)CC1 ZINC000189890228 509813140 /nfs/dbraw/zinc/81/31/40/509813140.db2.gz IGHNTFXNCLJXIO-UHFFFAOYSA-N -1 3 364.449 2.967 20 30 FFEDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3ccc(C#N)cc3Cl)nc12 ZINC000180245650 509831291 /nfs/dbraw/zinc/83/12/91/509831291.db2.gz HJQSGZLMNVNRMD-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM N#Cc1ncn(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1C#N ZINC000180425609 509921420 /nfs/dbraw/zinc/92/14/20/509921420.db2.gz PRXABDWPDAYGIT-UHFFFAOYSA-N -1 3 358.386 2.640 20 30 FFEDHM Cc1cccc(O[C@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000174676046 510244261 /nfs/dbraw/zinc/24/42/61/510244261.db2.gz VAEDVCSYIKSORV-CQSZACIVSA-N -1 3 367.449 2.688 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cnnn2)cc1)c1nc(-c2ccncc2)cs1 ZINC000194181661 510251703 /nfs/dbraw/zinc/25/17/03/510251703.db2.gz WSBRRLRYVKDEQM-OAHLLOKOSA-N -1 3 373.401 2.671 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187767821 510425412 /nfs/dbraw/zinc/42/54/12/510425412.db2.gz UDOYBFOWKSMJGR-TZMCWYRMSA-N -1 3 372.874 2.726 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000191091730 510500234 /nfs/dbraw/zinc/50/02/34/510500234.db2.gz ZEOZMTNYEFTHCJ-UHFFFAOYSA-N -1 3 358.485 2.984 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c1 ZINC000184881809 510562307 /nfs/dbraw/zinc/56/23/07/510562307.db2.gz ZKZQMWADWKZJGB-HNNXBMFYSA-N -1 3 356.875 2.821 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000178531341 510648701 /nfs/dbraw/zinc/64/87/01/510648701.db2.gz VGZKVWVJMBOSKP-AEFFLSMTSA-N -1 3 360.410 2.896 20 30 FFEDHM C=C(C)[C@H](CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)OCC ZINC000270106189 510678075 /nfs/dbraw/zinc/67/80/75/510678075.db2.gz IBALHGSZGRRRCM-SFHVURJKSA-N -1 3 360.454 2.941 20 30 FFEDHM Cc1cnc(C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)c([O-])c1 ZINC000330209556 510938117 /nfs/dbraw/zinc/93/81/17/510938117.db2.gz BVPLRMQQWHFESE-UHFFFAOYSA-N -1 3 368.437 2.510 20 30 FFEDHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(Oc3ccc(C#N)cc3F)CC2)on1 ZINC000285611547 510977349 /nfs/dbraw/zinc/97/73/49/510977349.db2.gz XKQIORUALZTTID-ZDUSSCGKSA-N -1 3 372.400 2.864 20 30 FFEDHM COc1c([O-])c(CN2CCN(c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000278289066 510988623 /nfs/dbraw/zinc/98/86/23/510988623.db2.gz UNTJDSSHWZRXLD-UHFFFAOYSA-N -1 3 368.393 2.503 20 30 FFEDHM C[C@H](CNC(=O)N=c1[n-]nc(CC(F)(F)F)s1)N1CCC(C)CC1 ZINC000331159007 511045854 /nfs/dbraw/zinc/04/58/54/511045854.db2.gz JVSOAEOOQUNHKJ-SNVBAGLBSA-N -1 3 365.425 2.511 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c([O-])c1 ZINC000331236019 511051943 /nfs/dbraw/zinc/05/19/43/511051943.db2.gz LQLJOSVUEZWKTH-DOTOQJQBSA-N -1 3 362.470 2.651 20 30 FFEDHM C=C[C@@](C)(CCOC)c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000288944393 511090469 /nfs/dbraw/zinc/09/04/69/511090469.db2.gz JXAYSFKMSALEMV-INIZCTEOSA-N -1 3 351.428 2.588 20 30 FFEDHM C#Cc1ccccc1CC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000289508381 511102934 /nfs/dbraw/zinc/10/29/34/511102934.db2.gz LMVDIJNDUHOLED-UHFFFAOYSA-N -1 3 362.429 2.793 20 30 FFEDHM N#Cc1ccc(CN2CC[C@H](NCc3cc(Cl)c(F)cc3[O-])C2=O)cc1 ZINC000294769065 511171977 /nfs/dbraw/zinc/17/19/77/511171977.db2.gz STPLPHZCVRRDTI-KRWDZBQOSA-N -1 3 373.815 2.947 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1nc(C2CCCCC2)no1 ZINC000333376704 511223706 /nfs/dbraw/zinc/22/37/06/511223706.db2.gz DYGLZCGROJGQSE-GFCCVEGCSA-N -1 3 352.460 2.792 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC000272228721 511472318 /nfs/dbraw/zinc/47/23/18/511472318.db2.gz WYJBBGQFXIEUIH-JKSUJKDBSA-N -1 3 359.470 2.918 20 30 FFEDHM N#CCN1CCC[C@H](CNC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000295713347 511492057 /nfs/dbraw/zinc/49/20/57/511492057.db2.gz CXKUPDQUKJNUAT-MRXNPFEDSA-N -1 3 351.450 2.830 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272509268 511497580 /nfs/dbraw/zinc/49/75/80/511497580.db2.gz FUCFEZPTQHMPOL-KXBFYZLASA-N -1 3 365.433 2.871 20 30 FFEDHM CNC(=O)Oc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000292411759 511587443 /nfs/dbraw/zinc/58/74/43/511587443.db2.gz ZNOZBKVKTJNVQH-UHFFFAOYSA-N -1 3 368.393 2.565 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2nccc3[nH]ccc32)no1 ZINC000349703769 511647393 /nfs/dbraw/zinc/64/73/93/511647393.db2.gz QOPGKJRHZFXYPT-UHFFFAOYSA-N -1 3 360.377 2.987 20 30 FFEDHM CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)CCO1 ZINC000329557552 512070303 /nfs/dbraw/zinc/07/03/03/512070303.db2.gz QOQOVDKUDNHXFQ-ZXTQRBJTSA-N -1 3 366.462 2.601 20 30 FFEDHM C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000329883588 512105503 /nfs/dbraw/zinc/10/55/03/512105503.db2.gz RFRQWJRRPOGNHV-RYUDHWBXSA-N -1 3 369.462 2.727 20 30 FFEDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccccn2)c1 ZINC000376345592 512777893 /nfs/dbraw/zinc/77/78/93/512777893.db2.gz BQRNTGAAUPWLEV-GOSISDBHSA-N -1 3 353.403 2.923 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)s1 ZINC000390819529 512910388 /nfs/dbraw/zinc/91/03/88/512910388.db2.gz UDFNFWDQBASMIT-UHFFFAOYSA-N -1 3 350.465 2.895 20 30 FFEDHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000440073114 513241315 /nfs/dbraw/zinc/24/13/15/513241315.db2.gz DSRLYJNXUUKTNB-QWHCGFSZSA-N -1 3 355.891 2.610 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429840760 513478921 /nfs/dbraw/zinc/47/89/21/513478921.db2.gz NSEHCTGISDYHDH-SECBINFHSA-N -1 3 368.680 2.565 20 30 FFEDHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccn1 ZINC000435187817 513530977 /nfs/dbraw/zinc/53/09/77/513530977.db2.gz UMHGEBVSZCPXEK-UHFFFAOYSA-N -1 3 370.356 2.839 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000435429184 513583445 /nfs/dbraw/zinc/58/34/45/513583445.db2.gz WIUQEYMMMKQDBQ-LBPRGKRZSA-N -1 3 358.485 2.654 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)s1 ZINC000435431751 513585132 /nfs/dbraw/zinc/58/51/32/513585132.db2.gz FSGKAHJEVYLJBY-UHFFFAOYSA-N -1 3 351.434 2.815 20 30 FFEDHM Cc1ccccc1[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1)N(C)C ZINC000435443411 513591813 /nfs/dbraw/zinc/59/18/13/513591813.db2.gz QNVAUIQMHCQLRL-CXAGYDPISA-N -1 3 363.508 2.898 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cn2)c1 ZINC000447839015 513592468 /nfs/dbraw/zinc/59/24/68/513592468.db2.gz GOTOYAUJELRTDH-UHFFFAOYSA-N -1 3 373.768 2.687 20 30 FFEDHM CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000447935695 513630961 /nfs/dbraw/zinc/63/09/61/513630961.db2.gz IZACFHLATDWZTA-OAHLLOKOSA-N -1 3 355.891 2.610 20 30 FFEDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1cccc(C)c1C ZINC000451420606 513740180 /nfs/dbraw/zinc/74/01/80/513740180.db2.gz QPMUWNWQRITIQI-INIZCTEOSA-N -1 3 364.467 2.521 20 30 FFEDHM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443006225 513840762 /nfs/dbraw/zinc/84/07/62/513840762.db2.gz HRULWJDTZOROKO-HNNXBMFYSA-N -1 3 357.391 2.741 20 30 FFEDHM COc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1OC ZINC000443012956 513841988 /nfs/dbraw/zinc/84/19/88/513841988.db2.gz UOPYYXSRLBIDRJ-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443024697 513845208 /nfs/dbraw/zinc/84/52/08/513845208.db2.gz KXLZJUMMPHSUCH-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000451654113 513892237 /nfs/dbraw/zinc/89/22/37/513892237.db2.gz NWUAPPDQBJLLSX-JTQLQIEISA-N -1 3 370.780 2.847 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416662298 513895385 /nfs/dbraw/zinc/89/53/85/513895385.db2.gz ODXYBJJIQMNVIG-CYBMUJFWSA-N -1 3 363.420 2.884 20 30 FFEDHM C=CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000451676378 513905376 /nfs/dbraw/zinc/90/53/76/513905376.db2.gz DONLRODIBVRZDJ-UHFFFAOYSA-N -1 3 365.282 2.600 20 30 FFEDHM COc1cc([C@@H](C#N)NC(=O)c2ccc(C)cc2[O-])cc(OC)c1OC ZINC000436605820 513915075 /nfs/dbraw/zinc/91/50/75/513915075.db2.gz LSTCOBRIJIGUCJ-CQSZACIVSA-N -1 3 356.378 2.721 20 30 FFEDHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000443345086 513943789 /nfs/dbraw/zinc/94/37/89/513943789.db2.gz QCGBVFUSZPZLCS-ZYHUDNBSSA-N -1 3 364.389 2.652 20 30 FFEDHM N#Cc1cnc2c(F)cc(F)cc2c1NCCNC(=O)c1ccc([O-])cc1 ZINC000436703387 513948260 /nfs/dbraw/zinc/94/82/60/513948260.db2.gz GVJUPNAZZCCNSE-UHFFFAOYSA-N -1 3 368.343 2.932 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cs1 ZINC000443372817 513954095 /nfs/dbraw/zinc/95/40/95/513954095.db2.gz MXLIWPROIFORLL-VIFPVBQESA-N -1 3 371.871 2.854 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OC(C)(C)C ZINC000443497983 513981027 /nfs/dbraw/zinc/98/10/27/513981027.db2.gz HKZFFFDIOCFRLZ-CQSZACIVSA-N -1 3 372.874 2.856 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3ccc([O-])c(F)c3)C2)c(F)c1 ZINC000448948227 513986514 /nfs/dbraw/zinc/98/65/14/513986514.db2.gz CFGQYZLPRABTON-OAHLLOKOSA-N -1 3 371.387 2.870 20 30 FFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC)cc(F)c1OC ZINC000451807950 513993956 /nfs/dbraw/zinc/99/39/56/513993956.db2.gz CIUKJYJDNSLTPE-UHFFFAOYSA-N -1 3 359.419 2.502 20 30 FFEDHM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000451811630 513995224 /nfs/dbraw/zinc/99/52/24/513995224.db2.gz BKALCGOKEPIKRZ-DOMZBBRYSA-N -1 3 356.875 2.941 20 30 FFEDHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000451811631 513995506 /nfs/dbraw/zinc/99/55/06/513995506.db2.gz BKALCGOKEPIKRZ-IUODEOHRSA-N -1 3 356.875 2.941 20 30 FFEDHM CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000451852397 514021553 /nfs/dbraw/zinc/02/15/53/514021553.db2.gz KDDPBZNEIWQDAT-CZUORRHYSA-N -1 3 358.891 2.779 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CN(C)C)c(C)c1 ZINC000414467777 514135876 /nfs/dbraw/zinc/13/58/76/514135876.db2.gz ZNPGINXRWKCRJX-UHFFFAOYSA-N -1 3 359.451 2.738 20 30 FFEDHM Cc1[n-][nH]c(=NC(=O)c2cc(C#N)oc2C)c1-c1ccc2c(c1)OCCO2 ZINC000437677766 514209986 /nfs/dbraw/zinc/20/99/86/514209986.db2.gz VILHVKOIWRZRQU-UHFFFAOYSA-N -1 3 364.361 2.604 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420712004 514254946 /nfs/dbraw/zinc/25/49/46/514254946.db2.gz QMBJAGTYRRPYIS-IINYFYTJSA-N -1 3 365.373 2.687 20 30 FFEDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN(c3ccc(C#N)cc3Cl)CC2)on1 ZINC000444770361 514324257 /nfs/dbraw/zinc/32/42/57/514324257.db2.gz CDQZAHOFAVQOAG-CYBMUJFWSA-N -1 3 373.844 2.657 20 30 FFEDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C#N)c(OC)c2)cc1OC ZINC000417554761 514406542 /nfs/dbraw/zinc/40/65/42/514406542.db2.gz KBRXTCUDPDOEJQ-INIZCTEOSA-N -1 3 370.405 2.890 20 30 FFEDHM CC(C)CCOc1ccccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428238789 514429254 /nfs/dbraw/zinc/42/92/54/514429254.db2.gz MPKIOLGJRMLMQK-UHFFFAOYSA-N -1 3 359.451 2.857 20 30 FFEDHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428267607 514437127 /nfs/dbraw/zinc/43/71/27/514437127.db2.gz OYXMGEOKTLWLSI-NSHDSACASA-N -1 3 369.368 2.882 20 30 FFEDHM C=CC(C)(C)CNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000452772168 514491523 /nfs/dbraw/zinc/49/15/23/514491523.db2.gz DEVKZNFLNMNTGG-UHFFFAOYSA-N -1 3 359.451 2.972 20 30 FFEDHM Cc1c(C#N)cccc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461251013 514551944 /nfs/dbraw/zinc/55/19/44/514551944.db2.gz WZBWBKUCJWMHQV-UHFFFAOYSA-N -1 3 351.797 2.990 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508066905 514653247 /nfs/dbraw/zinc/65/32/47/514653247.db2.gz GGYPOQNVWFIOFE-LBPRGKRZSA-N -1 3 370.780 2.956 20 30 FFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000508093015 514664158 /nfs/dbraw/zinc/66/41/58/514664158.db2.gz GEBZRAJDUYWBOF-ZDUSSCGKSA-N -1 3 350.868 2.934 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000489236216 514763693 /nfs/dbraw/zinc/76/36/93/514763693.db2.gz RVSKXGCOBDSOGW-AWEZNQCLSA-N -1 3 350.444 2.714 20 30 FFEDHM CC(C)(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000466930838 514831690 /nfs/dbraw/zinc/83/16/90/514831690.db2.gz LPHDVVMIBBOTPU-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000489557867 514894006 /nfs/dbraw/zinc/89/40/06/514894006.db2.gz ACKMGHQSRNVKLO-CQSZACIVSA-N -1 3 356.875 2.721 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)NCCCCC#N)cc(C(F)(F)F)c1 ZINC000472031011 515091073 /nfs/dbraw/zinc/09/10/73/515091073.db2.gz ZRGHEGBRNHVIJZ-UHFFFAOYSA-N -1 3 363.361 2.501 20 30 FFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000462721263 515213440 /nfs/dbraw/zinc/21/34/40/515213440.db2.gz LOAPGPKKFFNCCK-UHFFFAOYSA-N -1 3 369.761 2.737 20 30 FFEDHM COc1nnc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[n-]1 ZINC000490746096 515297196 /nfs/dbraw/zinc/29/71/96/515297196.db2.gz OKLBASCTJJZPRP-UHFFFAOYSA-N -1 3 353.313 2.869 20 30 FFEDHM COc1nc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n[n-]1 ZINC000490746096 515297214 /nfs/dbraw/zinc/29/72/14/515297214.db2.gz OKLBASCTJJZPRP-UHFFFAOYSA-N -1 3 353.313 2.869 20 30 FFEDHM COc1n[n-]c(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)n1 ZINC000490746096 515297220 /nfs/dbraw/zinc/29/72/20/515297220.db2.gz OKLBASCTJJZPRP-UHFFFAOYSA-N -1 3 353.313 2.869 20 30 FFEDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H]1C ZINC000481601799 515398103 /nfs/dbraw/zinc/39/81/03/515398103.db2.gz DSYDDZGWSBRQSH-UPJWGTAASA-N -1 3 351.428 2.817 20 30 FFEDHM CN(C)c1nc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc(=O)[n-]1 ZINC000463327480 515442047 /nfs/dbraw/zinc/44/20/47/515442047.db2.gz GTOXRXGCCVEMQV-GFCCVEGCSA-N -1 3 366.208 2.550 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000491954889 515486257 /nfs/dbraw/zinc/48/62/57/515486257.db2.gz JSAUNDKRNUTSQM-UHFFFAOYSA-N -1 3 369.761 2.737 20 30 FFEDHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccco1 ZINC000510396874 515527363 /nfs/dbraw/zinc/52/73/63/515527363.db2.gz UQLFIJGZHPUXIJ-WCQYABFASA-N -1 3 353.469 2.620 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000469051526 515647271 /nfs/dbraw/zinc/64/72/71/515647271.db2.gz URABVEBGLJBDCB-LLVKDONJSA-N -1 3 351.653 2.929 20 30 FFEDHM COc1cccc(C[C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000494150160 515749145 /nfs/dbraw/zinc/74/91/45/515749145.db2.gz XIQYLRUQPJIFQF-CYBMUJFWSA-N -1 3 367.449 2.964 20 30 FFEDHM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1cc(C(F)(F)F)ccn1 ZINC000464413278 515815051 /nfs/dbraw/zinc/81/50/51/515815051.db2.gz YOZURVLBBQCCCQ-NSHDSACASA-N -1 3 361.279 2.921 20 30 FFEDHM C[C@H](CC#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469647104 515904011 /nfs/dbraw/zinc/90/40/11/515904011.db2.gz CNTFVYNKDDNJGI-SSDOTTSWSA-N -1 3 368.618 2.976 20 30 FFEDHM C[C@H](CC#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469647104 515904024 /nfs/dbraw/zinc/90/40/24/515904024.db2.gz CNTFVYNKDDNJGI-SSDOTTSWSA-N -1 3 368.618 2.976 20 30 FFEDHM COc1c(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)oc2ccccc21 ZINC000474388845 516026125 /nfs/dbraw/zinc/02/61/25/516026125.db2.gz CJULMPKYVPDTIV-UHFFFAOYSA-N -1 3 356.403 2.933 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000488574728 516265233 /nfs/dbraw/zinc/26/52/33/516265233.db2.gz ISMFGEPZIMUXMF-CQSZACIVSA-N -1 3 367.446 2.839 20 30 FFEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C2CC2)cn1 ZINC000528592541 516552685 /nfs/dbraw/zinc/55/26/85/516552685.db2.gz OMJHZENXIWYGNO-KRWDZBQOSA-N -1 3 361.398 2.531 20 30 FFEDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C2CC2)cn1 ZINC000528592543 516552776 /nfs/dbraw/zinc/55/27/76/516552776.db2.gz OMJHZENXIWYGNO-QGZVFWFLSA-N -1 3 361.398 2.531 20 30 FFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)N1CCc2ccccc2C1 ZINC000561476379 516605697 /nfs/dbraw/zinc/60/56/97/516605697.db2.gz CIPNZLFGXKFPPN-SFHVURJKSA-N -1 3 373.478 2.512 20 30 FFEDHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000536157724 516656370 /nfs/dbraw/zinc/65/63/70/516656370.db2.gz LPMLGQTYBBAKAY-CYBMUJFWSA-N -1 3 362.426 2.863 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c(C)cn1 ZINC000558591247 516825119 /nfs/dbraw/zinc/82/51/19/516825119.db2.gz UNDIPOIBGIQURM-UHFFFAOYSA-N -1 3 355.341 2.812 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000524883030 516858479 /nfs/dbraw/zinc/85/84/79/516858479.db2.gz CPAVMOLRCWRXSO-UHFFFAOYSA-N -1 3 374.422 2.972 20 30 FFEDHM COC1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000555376464 516903943 /nfs/dbraw/zinc/90/39/43/516903943.db2.gz IFHZLZHATXPJEF-UHFFFAOYSA-N -1 3 362.373 2.815 20 30 FFEDHM N#CC(=C([O-])c1ccccc1SCC(=O)N1CCCC1)c1ccncn1 ZINC000544818055 516941776 /nfs/dbraw/zinc/94/17/76/516941776.db2.gz NQTWZFIEHIMJDC-OAHLLOKOSA-N -1 3 366.446 2.681 20 30 FFEDHM CCc1cccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1[O-] ZINC000562268279 516996025 /nfs/dbraw/zinc/99/60/25/516996025.db2.gz LUDOHDYYHOLSOY-UHFFFAOYSA-N -1 3 356.451 2.554 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(C#N)c(Cl)c2)ccc1F ZINC000548631258 517099108 /nfs/dbraw/zinc/09/91/08/517099108.db2.gz QHBQXLGIXYZXES-UHFFFAOYSA-N -1 3 367.789 2.975 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(F)cc1F ZINC000514893606 517111755 /nfs/dbraw/zinc/11/17/55/517111755.db2.gz OBPJIOVZCYDPQQ-MRXNPFEDSA-N -1 3 351.378 2.907 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc2c(s1)CCC2 ZINC000515003622 517164247 /nfs/dbraw/zinc/16/42/47/517164247.db2.gz AYTTYWANCSRIRN-SECBINFHSA-N -1 3 351.428 2.682 20 30 FFEDHM Cc1ccc([C@H](C[N-]S(=O)(=O)CC2(C#N)CCCC2)N2CCCC2)o1 ZINC000545365009 517200718 /nfs/dbraw/zinc/20/07/18/517200718.db2.gz BICCVBUKWXNLEZ-INIZCTEOSA-N -1 3 365.499 2.728 20 30 FFEDHM CNc1ccc(C#N)cc1NC(=O)c1c[n-]nc1-c1ccc2c(c1)OCO2 ZINC000552576188 517311732 /nfs/dbraw/zinc/31/17/32/517311732.db2.gz WLYOQWVXGQUDBR-UHFFFAOYSA-N -1 3 361.361 2.971 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H](C)C3CC3)no2)ccc1F ZINC000545801359 517373110 /nfs/dbraw/zinc/37/31/10/517373110.db2.gz KOKUVJUKTOKGHA-SNVBAGLBSA-N -1 3 351.403 2.854 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000552896337 517432869 /nfs/dbraw/zinc/43/28/69/517432869.db2.gz IAVRVIMROLZZTP-SECBINFHSA-N -1 3 357.781 2.822 20 30 FFEDHM N#Cc1cccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000553260846 517607333 /nfs/dbraw/zinc/60/73/33/517607333.db2.gz DKCIYNJAEWBSCD-UHFFFAOYSA-N -1 3 371.249 2.650 20 30 FFEDHM COc1ccc(-c2nc(Sc3nnc(C)c(C)c3C#N)n[n-]2)c(OC)c1 ZINC000553315507 517640677 /nfs/dbraw/zinc/64/06/77/517640677.db2.gz JNLNIMHECRQCGZ-UHFFFAOYSA-N -1 3 368.422 2.919 20 30 FFEDHM N#Cc1ccncc1N1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000553698232 517858397 /nfs/dbraw/zinc/85/83/97/517858397.db2.gz MUQDPPVAYJXMTD-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c(OCC(F)(F)F)c1 ZINC000553768400 517893295 /nfs/dbraw/zinc/89/32/95/517893295.db2.gz SPXQMJQRYFSQKD-UHFFFAOYSA-N -1 3 374.340 2.879 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCNc1ccccc1F ZINC000543344807 518035446 /nfs/dbraw/zinc/03/54/46/518035446.db2.gz ALDKDRVTEJNYDU-UHFFFAOYSA-N -1 3 370.428 2.966 20 30 FFEDHM N#Cc1cnccc1[N-]C(=O)c1ccc(C(=O)Nc2ccncc2C#N)s1 ZINC000522717731 518154213 /nfs/dbraw/zinc/15/42/13/518154213.db2.gz NXTFFBKVEZXMMD-UHFFFAOYSA-N -1 3 374.385 2.786 20 30 FFEDHM C=CCn1c(CCN2CCCCC2)nnc1SCc1ncccc1[O-] ZINC000584730682 518451677 /nfs/dbraw/zinc/45/16/77/518451677.db2.gz BKNYFFBMVLMNPU-UHFFFAOYSA-N -1 3 359.499 2.885 20 30 FFEDHM C=CCCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000579140627 518541305 /nfs/dbraw/zinc/54/13/05/518541305.db2.gz LDBWGRHRMFQKBZ-UHFFFAOYSA-N -1 3 374.890 2.733 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000576579074 518660801 /nfs/dbraw/zinc/66/08/01/518660801.db2.gz GSXMQEYTUNIXET-FZMZJTMJSA-N -1 3 355.232 2.545 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000564971925 518722167 /nfs/dbraw/zinc/72/21/67/518722167.db2.gz DJZLVYNCLFKBSS-ZIAGYGMSSA-N -1 3 362.373 2.614 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCO1 ZINC000588121012 518728993 /nfs/dbraw/zinc/72/89/93/518728993.db2.gz NMLPKSIJRIJXMT-QWHCGFSZSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@@H]1CC([N-]S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H](C)O1 ZINC000588121487 518729494 /nfs/dbraw/zinc/72/94/94/518729494.db2.gz HJVBOAYGNRLTRD-NXEZZACHSA-N -1 3 373.272 2.555 20 30 FFEDHM C[C@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1F ZINC000570852077 518811613 /nfs/dbraw/zinc/81/16/13/518811613.db2.gz ZZHWHCNUABODCM-BBRMVZONSA-N -1 3 354.447 2.641 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1nc(Cc2ccccc2)no1 ZINC000570973978 518866037 /nfs/dbraw/zinc/86/60/37/518866037.db2.gz FQSMHOJJTWLMSV-ZDUSSCGKSA-N -1 3 362.455 2.581 20 30 FFEDHM C=CCc1ccccc1OC[C@H](O)CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000568099326 518873070 /nfs/dbraw/zinc/87/30/70/518873070.db2.gz BBIRELDGRCCAQB-NQIIRXRSSA-N -1 3 367.445 2.839 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccs1 ZINC000583111413 519079867 /nfs/dbraw/zinc/07/98/67/519079867.db2.gz AFXFRCSCYXOSRA-CYBMUJFWSA-N -1 3 356.494 2.719 20 30 FFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000590618012 519290199 /nfs/dbraw/zinc/29/01/99/519290199.db2.gz RHRTTZBKLNGXGS-GOSISDBHSA-N -1 3 371.387 2.622 20 30 FFEDHM COc1c(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)oc2ccccc21 ZINC000571954315 519362284 /nfs/dbraw/zinc/36/22/84/519362284.db2.gz PSNLXEQILLKZNI-UHFFFAOYSA-N -1 3 356.403 2.933 20 30 FFEDHM CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C1CCCCCC1 ZINC000594481669 519990728 /nfs/dbraw/zinc/99/07/28/519990728.db2.gz FJVVEKRYMOYAQP-OAHLLOKOSA-N -1 3 356.488 2.502 20 30 FFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(-n2ccccc2=O)cc1F ZINC000594697918 520096113 /nfs/dbraw/zinc/09/61/13/520096113.db2.gz SPDAJHBDXNBJNO-UHFFFAOYSA-N -1 3 363.414 2.658 20 30 FFEDHM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594766288 520144561 /nfs/dbraw/zinc/14/45/61/520144561.db2.gz HIILURVWBMXIDB-DHCBQETCSA-N -1 3 350.465 2.687 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCOC[C@@H]1C ZINC000594770841 520148067 /nfs/dbraw/zinc/14/80/67/520148067.db2.gz PLCXTQFTFFZZRU-IINYFYTJSA-N -1 3 350.465 2.785 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CCOC(F)(F)F ZINC000594779666 520154406 /nfs/dbraw/zinc/15/44/06/520154406.db2.gz LTOWVXURBDKEMM-UHFFFAOYSA-N -1 3 364.370 2.896 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CO ZINC000594782858 520156584 /nfs/dbraw/zinc/15/65/84/520156584.db2.gz OJLJDPOIXLLVOA-TZMCWYRMSA-N -1 3 350.465 2.521 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000594783132 520156864 /nfs/dbraw/zinc/15/68/64/520156864.db2.gz GGMREOBHRCEVHC-ZIAGYGMSSA-N -1 3 364.492 2.911 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)CC(F)F ZINC000592066561 520163718 /nfs/dbraw/zinc/16/37/18/520163718.db2.gz CLEZQBXTRTXTQO-MRVPVSSYSA-N -1 3 367.215 2.890 20 30 FFEDHM CC(C)[C@H](C#N)N1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000609485416 520328667 /nfs/dbraw/zinc/32/86/67/520328667.db2.gz PSNOCHZUDCSOPK-HNNXBMFYSA-N -1 3 365.437 2.747 20 30 FFEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OCC)C1CC1 ZINC000600646364 520373764 /nfs/dbraw/zinc/37/37/64/520373764.db2.gz BBIRPPWKECNNKJ-QGZVFWFLSA-N -1 3 351.472 2.937 20 30 FFEDHM C=CCCC1(CNC(=O)C[N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000617416180 520485058 /nfs/dbraw/zinc/48/50/58/520485058.db2.gz DZMZVHZFVZFQDU-UHFFFAOYSA-N -1 3 356.513 2.669 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000610366416 520651553 /nfs/dbraw/zinc/65/15/53/520651553.db2.gz AAUISJHBFWWTGR-AWEZNQCLSA-N -1 3 351.406 2.570 20 30 FFEDHM COc1ccc(-c2nc([N-]C(=O)c3ccc(C#N)s3)n[nH]2)cc1OC ZINC000610522071 520725410 /nfs/dbraw/zinc/72/54/10/520725410.db2.gz CPVHEKXXVOFXPZ-UHFFFAOYSA-N -1 3 355.379 2.674 20 30 FFEDHM Cn1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c2ccccc21 ZINC000613950532 520738251 /nfs/dbraw/zinc/73/82/51/520738251.db2.gz OEPFQJZORUBTEL-UHFFFAOYSA-N -1 3 360.826 2.577 20 30 FFEDHM C=CCc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc(OC)c1OC ZINC000613956927 520740199 /nfs/dbraw/zinc/74/01/99/520740199.db2.gz GHJRVBYMOAMNJI-UHFFFAOYSA-N -1 3 365.393 2.865 20 30 FFEDHM C=CCc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc(OC)c1OC ZINC000613956927 520740202 /nfs/dbraw/zinc/74/02/02/520740202.db2.gz GHJRVBYMOAMNJI-UHFFFAOYSA-N -1 3 365.393 2.865 20 30 FFEDHM C=CCc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc(OC)c1OC ZINC000613956927 520740204 /nfs/dbraw/zinc/74/02/04/520740204.db2.gz GHJRVBYMOAMNJI-UHFFFAOYSA-N -1 3 365.393 2.865 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000601460397 520798118 /nfs/dbraw/zinc/79/81/18/520798118.db2.gz FSHVZPFRPXGWIR-TZMCWYRMSA-N -1 3 362.373 2.531 20 30 FFEDHM N#Cc1cccc(CN2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596291515 521010652 /nfs/dbraw/zinc/01/06/52/521010652.db2.gz JFMGCHDAZHBIGX-UHFFFAOYSA-N -1 3 353.382 2.644 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCCc1nc2c(s1)CCCC2 ZINC000593540914 521062736 /nfs/dbraw/zinc/06/27/36/521062736.db2.gz KGDYNJSHDHCIMX-UHFFFAOYSA-N -1 3 367.521 2.866 20 30 FFEDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593596285 521098676 /nfs/dbraw/zinc/09/86/76/521098676.db2.gz OGHZXKDURYXCTK-ZDUSSCGKSA-N -1 3 350.465 2.893 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000593600006 521101168 /nfs/dbraw/zinc/10/11/68/521101168.db2.gz GHOMKDRHURHMAN-INIZCTEOSA-N -1 3 362.476 2.802 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)c2cc(F)ccc2O1 ZINC000593637346 521123939 /nfs/dbraw/zinc/12/39/39/521123939.db2.gz SVBQDOWAGWOIAD-CYBMUJFWSA-N -1 3 361.398 2.673 20 30 FFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000599317052 521147210 /nfs/dbraw/zinc/14/72/10/521147210.db2.gz OQYFUALXWJSGCM-UHFFFAOYSA-N -1 3 359.329 2.660 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(F)cc1F ZINC000619461465 521579723 /nfs/dbraw/zinc/57/97/23/521579723.db2.gz HIHCOEWPIJALRC-UHFFFAOYSA-N -1 3 366.345 2.618 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cs1 ZINC000619707894 521833481 /nfs/dbraw/zinc/83/34/81/521833481.db2.gz UXOPIPBUKSBKNO-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000628317563 523477697 /nfs/dbraw/zinc/47/76/97/523477697.db2.gz OXPITYKWDZALTO-UHFFFAOYSA-N -1 3 370.453 2.727 20 30 FFEDHM N#CC1(F)CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482234491 561250969 /nfs/dbraw/zinc/25/09/69/561250969.db2.gz AUOFVQMWBZXXTD-UHFFFAOYSA-N -1 3 366.194 2.956 20 30 FFEDHM C=CCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nnn[n-]1 ZINC000735417101 598824379 /nfs/dbraw/zinc/82/43/79/598824379.db2.gz YWBMBKPKWLTEIL-UHFFFAOYSA-N -1 3 367.438 2.764 20 30 FFEDHM C=CCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000735417101 598824381 /nfs/dbraw/zinc/82/43/81/598824381.db2.gz YWBMBKPKWLTEIL-UHFFFAOYSA-N -1 3 367.438 2.764 20 30 FFEDHM Cc1ccccc1OCCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737432300 598913888 /nfs/dbraw/zinc/91/38/88/598913888.db2.gz ULFDJJZKNFKDHO-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM Cc1ccccc1OCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737432300 598913889 /nfs/dbraw/zinc/91/38/89/598913889.db2.gz ULFDJJZKNFKDHO-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735680680 598919779 /nfs/dbraw/zinc/91/97/79/598919779.db2.gz WYHCUNJPMIBJLY-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735680680 598919780 /nfs/dbraw/zinc/91/97/80/598919780.db2.gz WYHCUNJPMIBJLY-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736056705 598924678 /nfs/dbraw/zinc/92/46/78/598924678.db2.gz CULNLHKQJLGWRZ-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736056705 598924680 /nfs/dbraw/zinc/92/46/80/598924680.db2.gz CULNLHKQJLGWRZ-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM N#Cc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737716671 598925704 /nfs/dbraw/zinc/92/57/04/598925704.db2.gz UACCCZXHTALBKB-UHFFFAOYSA-N -1 3 368.397 2.998 20 30 FFEDHM N#Cc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737716671 598925706 /nfs/dbraw/zinc/92/57/06/598925706.db2.gz UACCCZXHTALBKB-UHFFFAOYSA-N -1 3 368.397 2.998 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCOc2ccccc2F)cc1-c1nnn[n-]1 ZINC000737715836 598928832 /nfs/dbraw/zinc/92/88/32/598928832.db2.gz FPCNIQPSKKDSGB-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCOc2ccccc2F)cc1-c1nn[n-]n1 ZINC000737715836 598928834 /nfs/dbraw/zinc/92/88/34/598928834.db2.gz FPCNIQPSKKDSGB-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C)c([N+](=O)[O-])c1 ZINC000819772714 607253149 /nfs/dbraw/zinc/25/31/49/607253149.db2.gz JULWLULFYDHJOR-UHFFFAOYSA-N -1 3 351.370 2.597 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)c([N+](=O)[O-])c1 ZINC000819772714 607253150 /nfs/dbraw/zinc/25/31/50/607253150.db2.gz JULWLULFYDHJOR-UHFFFAOYSA-N -1 3 351.370 2.597 20 30 FFEDHM CCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OCC ZINC000821418141 607253424 /nfs/dbraw/zinc/25/34/24/607253424.db2.gz WQFTYFULJPMEEY-UHFFFAOYSA-N -1 3 366.425 2.788 20 30 FFEDHM CCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OCC ZINC000821418141 607253425 /nfs/dbraw/zinc/25/34/25/607253425.db2.gz WQFTYFULJPMEEY-UHFFFAOYSA-N -1 3 366.425 2.788 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000819772201 607254331 /nfs/dbraw/zinc/25/43/31/607254331.db2.gz AIVHBZNAGCLHLN-UHFFFAOYSA-N -1 3 372.436 2.625 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000819772201 607254332 /nfs/dbraw/zinc/25/43/32/607254332.db2.gz AIVHBZNAGCLHLN-UHFFFAOYSA-N -1 3 372.436 2.625 20 30 FFEDHM C[C@](C#N)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000735505893 598969949 /nfs/dbraw/zinc/96/99/49/598969949.db2.gz XGMRIQYOIUBAAG-TZZQJPOUSA-N -1 3 350.426 2.859 20 30 FFEDHM C[C@](C#N)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000735505893 598969950 /nfs/dbraw/zinc/96/99/50/598969950.db2.gz XGMRIQYOIUBAAG-TZZQJPOUSA-N -1 3 350.426 2.859 20 30 FFEDHM C[C@@](C#N)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735503909 598969978 /nfs/dbraw/zinc/96/99/78/598969978.db2.gz KUNGWECCMCMJPJ-SFHVURJKSA-N -1 3 370.482 2.938 20 30 FFEDHM C[C@@](C#N)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735503909 598969980 /nfs/dbraw/zinc/96/99/80/598969980.db2.gz KUNGWECCMCMJPJ-SFHVURJKSA-N -1 3 370.482 2.938 20 30 FFEDHM CCc1ccc(CCSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000736684205 599011806 /nfs/dbraw/zinc/01/18/06/599011806.db2.gz WJJGPVRDLTVNJX-UHFFFAOYSA-N -1 3 351.439 2.613 20 30 FFEDHM CCc1ccc(CCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000736684205 599011808 /nfs/dbraw/zinc/01/18/08/599011808.db2.gz WJJGPVRDLTVNJX-UHFFFAOYSA-N -1 3 351.439 2.613 20 30 FFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737712734 599064390 /nfs/dbraw/zinc/06/43/90/599064390.db2.gz RMHKSCIDSGVNRB-VNIJRHKQSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737712734 599064393 /nfs/dbraw/zinc/06/43/93/599064393.db2.gz RMHKSCIDSGVNRB-VNIJRHKQSA-N -1 3 369.384 2.805 20 30 FFEDHM C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736189759 599064897 /nfs/dbraw/zinc/06/48/97/599064897.db2.gz CGYRKNCXKWGEMX-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@@H](Sc1ccc(C#N)cc1F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736189759 599064900 /nfs/dbraw/zinc/06/49/00/599064900.db2.gz CGYRKNCXKWGEMX-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000819751487 599115224 /nfs/dbraw/zinc/11/52/24/599115224.db2.gz VYTMWZFHXXJROX-GOSISDBHSA-N -1 3 362.393 2.628 20 30 FFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000819751487 599115226 /nfs/dbraw/zinc/11/52/26/599115226.db2.gz VYTMWZFHXXJROX-GOSISDBHSA-N -1 3 362.393 2.628 20 30 FFEDHM C=CCOc1ccccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819759262 599177945 /nfs/dbraw/zinc/17/79/45/599177945.db2.gz RDRGODLYRCYKPN-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCOc1ccccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819759262 599177947 /nfs/dbraw/zinc/17/79/47/599177947.db2.gz RDRGODLYRCYKPN-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C[C@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735505327 599198997 /nfs/dbraw/zinc/19/89/97/599198997.db2.gz QNQVIHYTRQZMFY-SNVBAGLBSA-N -1 3 368.784 2.954 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819844957 599291140 /nfs/dbraw/zinc/29/11/40/599291140.db2.gz PSQWFWYXZNLUSG-MRVPVSSYSA-N -1 3 353.308 2.509 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819844957 599291142 /nfs/dbraw/zinc/29/11/42/599291142.db2.gz PSQWFWYXZNLUSG-MRVPVSSYSA-N -1 3 353.308 2.509 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736337203 598239252 /nfs/dbraw/zinc/23/92/52/598239252.db2.gz INUFIUFZOMGWGV-CQSZACIVSA-N -1 3 370.457 2.812 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736337203 598239253 /nfs/dbraw/zinc/23/92/53/598239253.db2.gz INUFIUFZOMGWGV-CQSZACIVSA-N -1 3 370.457 2.812 20 30 FFEDHM N#Cc1ccccc1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737727714 598249281 /nfs/dbraw/zinc/24/92/81/598249281.db2.gz RIRAYJZOBIRKLB-UHFFFAOYSA-N -1 3 360.421 2.782 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737720020 598586499 /nfs/dbraw/zinc/58/64/99/598586499.db2.gz ZDNGHZDCLDAOGQ-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737720020 598586501 /nfs/dbraw/zinc/58/65/01/598586501.db2.gz ZDNGHZDCLDAOGQ-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735436633 598667536 /nfs/dbraw/zinc/66/75/36/598667536.db2.gz QBZVGCPFPPQUEN-QXMHVHEDSA-N -1 3 361.405 2.761 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735436633 598667537 /nfs/dbraw/zinc/66/75/37/598667537.db2.gz QBZVGCPFPPQUEN-QXMHVHEDSA-N -1 3 361.405 2.761 20 30 FFEDHM CCOc1ccc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000736642965 598674329 /nfs/dbraw/zinc/67/43/29/598674329.db2.gz AEPXMLHVWJOMDR-UHFFFAOYSA-N -1 3 371.372 2.964 20 30 FFEDHM CCOc1ccc(C=NOCc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000736642965 598674331 /nfs/dbraw/zinc/67/43/31/598674331.db2.gz AEPXMLHVWJOMDR-UHFFFAOYSA-N -1 3 371.372 2.964 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735804609 598752516 /nfs/dbraw/zinc/75/25/16/598752516.db2.gz WZQZEYGFJHHGMD-UHFFFAOYSA-N -1 3 358.471 2.747 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735804609 598752518 /nfs/dbraw/zinc/75/25/18/598752518.db2.gz WZQZEYGFJHHGMD-UHFFFAOYSA-N -1 3 358.471 2.747 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cnc(C)s1 ZINC000735418802 598762296 /nfs/dbraw/zinc/76/22/96/598762296.db2.gz JEQGNCNMZFDTGD-BQYQJAHWSA-N -1 3 366.450 2.860 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cnc(C)s1 ZINC000735418802 598762298 /nfs/dbraw/zinc/76/22/98/598762298.db2.gz JEQGNCNMZFDTGD-BQYQJAHWSA-N -1 3 366.450 2.860 20 30 FFEDHM C[C@H](CC#N)NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820220834 607373024 /nfs/dbraw/zinc/37/30/24/607373024.db2.gz YEZHBFVJNOBZKN-CQSZACIVSA-N -1 3 361.409 2.671 20 30 FFEDHM C[C@H](CC#N)NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820220834 607373026 /nfs/dbraw/zinc/37/30/26/607373026.db2.gz YEZHBFVJNOBZKN-CQSZACIVSA-N -1 3 361.409 2.671 20 30 FFEDHM C(=NNc1cccc2ncccc21)c1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000735397573 599457413 /nfs/dbraw/zinc/45/74/13/599457413.db2.gz CZCLFQXJDKJINM-UHFFFAOYSA-N -1 3 355.365 2.509 20 30 FFEDHM C(=NNc1cccc2ncccc21)c1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000735397573 599457415 /nfs/dbraw/zinc/45/74/15/599457415.db2.gz CZCLFQXJDKJINM-UHFFFAOYSA-N -1 3 355.365 2.509 20 30 FFEDHM COc1cc(C)ccc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737040376 599459849 /nfs/dbraw/zinc/45/98/49/599459849.db2.gz OXTVIXMMDJZMGP-FNORWQNLSA-N -1 3 360.377 2.728 20 30 FFEDHM COc1cc(C)ccc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737040376 599459853 /nfs/dbraw/zinc/45/98/53/599459853.db2.gz OXTVIXMMDJZMGP-FNORWQNLSA-N -1 3 360.377 2.728 20 30 FFEDHM Cc1cc(C)c2c(c1)OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737249282 599463366 /nfs/dbraw/zinc/46/33/66/599463366.db2.gz VLERIEKUYVNJQG-VGOFMYFVSA-N -1 3 372.388 2.790 20 30 FFEDHM Cc1cc(C)c2c(c1)OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737249282 599463368 /nfs/dbraw/zinc/46/33/68/599463368.db2.gz VLERIEKUYVNJQG-VGOFMYFVSA-N -1 3 372.388 2.790 20 30 FFEDHM C=C(Cl)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735402182 599498371 /nfs/dbraw/zinc/49/83/71/599498371.db2.gz LIJHYIHXKUYEMN-UHFFFAOYSA-N -1 3 371.788 2.928 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2SCCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000822822785 599632364 /nfs/dbraw/zinc/63/23/64/599632364.db2.gz FIOPFRPBJYRAQF-INIZCTEOSA-N -1 3 362.418 2.707 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2SCCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000822822785 599632365 /nfs/dbraw/zinc/63/23/65/599632365.db2.gz FIOPFRPBJYRAQF-INIZCTEOSA-N -1 3 362.418 2.707 20 30 FFEDHM N#CCCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000822807089 599640836 /nfs/dbraw/zinc/64/08/36/599640836.db2.gz YGIDBLNCRPDKFF-UHFFFAOYSA-N -1 3 374.408 2.759 20 30 FFEDHM N#CCCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000822807089 599640837 /nfs/dbraw/zinc/64/08/37/599640837.db2.gz YGIDBLNCRPDKFF-UHFFFAOYSA-N -1 3 374.408 2.759 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826257261 607390291 /nfs/dbraw/zinc/39/02/91/607390291.db2.gz VHHZSARQAUGTGG-UHFFFAOYSA-N -1 3 358.361 2.657 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826257261 607390292 /nfs/dbraw/zinc/39/02/92/607390292.db2.gz VHHZSARQAUGTGG-UHFFFAOYSA-N -1 3 358.361 2.657 20 30 FFEDHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826316237 607432839 /nfs/dbraw/zinc/43/28/39/607432839.db2.gz IHVSPYXPOGZMQD-KBPBESRZSA-N -1 3 350.407 2.851 20 30 FFEDHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826316237 607432841 /nfs/dbraw/zinc/43/28/41/607432841.db2.gz IHVSPYXPOGZMQD-KBPBESRZSA-N -1 3 350.407 2.851 20 30 FFEDHM Cc1ccccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822361702 607464000 /nfs/dbraw/zinc/46/40/00/607464000.db2.gz GUCSWMUNMUZABQ-UHFFFAOYSA-N -1 3 355.402 2.635 20 30 FFEDHM Cc1ccccc1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822361702 607464001 /nfs/dbraw/zinc/46/40/01/607464001.db2.gz GUCSWMUNMUZABQ-UHFFFAOYSA-N -1 3 355.402 2.635 20 30 FFEDHM N#Cc1cccc([C@H](NCc2cc(Cl)c3c(c2)OCCO3)C(=O)[O-])c1 ZINC000833074555 601299655 /nfs/dbraw/zinc/29/96/55/601299655.db2.gz ALGDNNWXXMDOQK-INIZCTEOSA-N -1 3 358.781 2.898 20 30 FFEDHM N#Cc1cccc([C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C(=O)[O-])c1 ZINC000833076803 601302497 /nfs/dbraw/zinc/30/24/97/601302497.db2.gz ZDLALQOIZJYWHQ-OAQYLSRUSA-N -1 3 373.412 2.684 20 30 FFEDHM C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)N1C(=O)[O-] ZINC000739178877 602830776 /nfs/dbraw/zinc/83/07/76/602830776.db2.gz SRBPBLPHOWSEJA-FRRDWIJNSA-N -1 3 372.450 2.545 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739543048 603161006 /nfs/dbraw/zinc/16/10/06/603161006.db2.gz VMBUHBNGVOLPFZ-AWEZNQCLSA-N -1 3 359.426 2.895 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CC1 ZINC000738485883 603360655 /nfs/dbraw/zinc/36/06/55/603360655.db2.gz WICRHWYRBJPKAS-UHFFFAOYSA-N -1 3 360.458 2.958 20 30 FFEDHM COc1cc(C#N)ccc1OCCN1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739852204 603408964 /nfs/dbraw/zinc/40/89/64/603408964.db2.gz MAVVNDLOJFZMRV-KRWDZBQOSA-N -1 3 373.453 2.800 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826180285 607645699 /nfs/dbraw/zinc/64/56/99/607645699.db2.gz AFSZWWIYFJUSMS-YHYXMXQVSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826180285 607645701 /nfs/dbraw/zinc/64/57/01/607645701.db2.gz AFSZWWIYFJUSMS-YHYXMXQVSA-N -1 3 363.377 2.730 20 30 FFEDHM CN(Cc1ccc(C(=O)NC2CC2)cc1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833695969 604615782 /nfs/dbraw/zinc/61/57/82/604615782.db2.gz BXKHPGNOUURFLF-LJQANCHMSA-N -1 3 363.417 2.708 20 30 FFEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000833412228 605181960 /nfs/dbraw/zinc/18/19/60/605181960.db2.gz IRHDDLYZHMFRMB-QGZVFWFLSA-N -1 3 357.454 2.771 20 30 FFEDHM Fc1ccc(CN=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)cc1 ZINC000822772273 606022941 /nfs/dbraw/zinc/02/29/41/606022941.db2.gz VIEVXMRURVMRLY-UHFFFAOYSA-N -1 3 367.413 2.603 20 30 FFEDHM Fc1ccc(CN=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)cc1 ZINC000822772273 606022949 /nfs/dbraw/zinc/02/29/49/606022949.db2.gz VIEVXMRURVMRLY-UHFFFAOYSA-N -1 3 367.413 2.603 20 30 FFEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820015884 606168435 /nfs/dbraw/zinc/16/84/35/606168435.db2.gz HOESNIZZPAVJNE-MRXNPFEDSA-N -1 3 367.365 2.744 20 30 FFEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ncc(C(C)(C)C)o1 ZINC000820554878 606170181 /nfs/dbraw/zinc/17/01/81/606170181.db2.gz AOKIZKVZYROFJG-QMMMGPOBSA-N -1 3 370.442 2.854 20 30 FFEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ncc(C(C)(C)C)o1 ZINC000820554878 606170182 /nfs/dbraw/zinc/17/01/82/606170182.db2.gz AOKIZKVZYROFJG-QMMMGPOBSA-N -1 3 370.442 2.854 20 30 FFEDHM Cn1cc(C#N)cc1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000822665813 606223285 /nfs/dbraw/zinc/22/32/85/606223285.db2.gz ZAXYXPUKATVUAS-UHFFFAOYSA-N -1 3 373.376 2.517 20 30 FFEDHM Cn1cc(C#N)cc1C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000822665813 606223286 /nfs/dbraw/zinc/22/32/86/606223286.db2.gz ZAXYXPUKATVUAS-UHFFFAOYSA-N -1 3 373.376 2.517 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(N2CCOC2=O)c1 ZINC000822923498 606306173 /nfs/dbraw/zinc/30/61/73/606306173.db2.gz SNBTVTOCMIIZEA-SNAWJCMRSA-N -1 3 367.390 2.781 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(N2CCOC2=O)c1 ZINC000822923498 606306175 /nfs/dbraw/zinc/30/61/75/606306175.db2.gz SNBTVTOCMIIZEA-SNAWJCMRSA-N -1 3 367.390 2.781 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822922799 606306590 /nfs/dbraw/zinc/30/65/90/606306590.db2.gz JWQXLFSJSJXRIP-HNQUOIGGSA-N -1 3 367.312 2.944 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822922799 606306592 /nfs/dbraw/zinc/30/65/92/606306592.db2.gz JWQXLFSJSJXRIP-HNQUOIGGSA-N -1 3 367.312 2.944 20 30 FFEDHM N#Cc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)ccc1-c1nnn[n-]1 ZINC000822822690 606338110 /nfs/dbraw/zinc/33/81/10/606338110.db2.gz BPNMWBZBENAFTL-UHFFFAOYSA-N -1 3 362.246 2.547 20 30 FFEDHM N#Cc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)ccc1-c1nn[n-]n1 ZINC000822822690 606338112 /nfs/dbraw/zinc/33/81/12/606338112.db2.gz BPNMWBZBENAFTL-UHFFFAOYSA-N -1 3 362.246 2.547 20 30 FFEDHM N#C[C@H](COC(=O)c1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)cc1 ZINC000822802236 606463579 /nfs/dbraw/zinc/46/35/79/606463579.db2.gz XQOQQKOZJJDIRR-LLVKDONJSA-N -1 3 357.370 2.607 20 30 FFEDHM N#C[C@H](COC(=O)c1cc(-c2nn[n-]n2)cs1)Cc1ccc(F)cc1 ZINC000822802236 606463581 /nfs/dbraw/zinc/46/35/81/606463581.db2.gz XQOQQKOZJJDIRR-LLVKDONJSA-N -1 3 357.370 2.607 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821609665 606482019 /nfs/dbraw/zinc/48/20/19/606482019.db2.gz GXBXWRGGRZAQLS-UHFFFAOYSA-N -1 3 370.363 2.972 20 30 FFEDHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000820384742 606666936 /nfs/dbraw/zinc/66/69/36/606666936.db2.gz LGMLXYSHUPEPEX-VIFPVBQESA-N -1 3 354.320 2.508 20 30 FFEDHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000820384742 606666937 /nfs/dbraw/zinc/66/69/37/606666937.db2.gz LGMLXYSHUPEPEX-VIFPVBQESA-N -1 3 354.320 2.508 20 30 FFEDHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000822436004 606680826 /nfs/dbraw/zinc/68/08/26/606680826.db2.gz FFXSZBTWVZMWPO-UHFFFAOYSA-N -1 3 367.438 2.954 20 30 FFEDHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000822436004 606680827 /nfs/dbraw/zinc/68/08/27/606680827.db2.gz FFXSZBTWVZMWPO-UHFFFAOYSA-N -1 3 367.438 2.954 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000822137000 606791158 /nfs/dbraw/zinc/79/11/58/606791158.db2.gz SYHUMRCANWLVDN-KRWDZBQOSA-N -1 3 374.404 2.999 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000822137000 606791160 /nfs/dbraw/zinc/79/11/60/606791160.db2.gz SYHUMRCANWLVDN-KRWDZBQOSA-N -1 3 374.404 2.999 20 30 FFEDHM CCCC(C#N)(CCC)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821009347 606820453 /nfs/dbraw/zinc/82/04/53/606820453.db2.gz PEGWAZDHKAOVOZ-UHFFFAOYSA-N -1 3 358.471 2.938 20 30 FFEDHM CCCC(C#N)(CCC)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821009347 606820454 /nfs/dbraw/zinc/82/04/54/606820454.db2.gz PEGWAZDHKAOVOZ-UHFFFAOYSA-N -1 3 358.471 2.938 20 30 FFEDHM C=CCC(CC=C)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000819734369 606951191 /nfs/dbraw/zinc/95/11/91/606951191.db2.gz NEBXYYIXERUDHH-UHFFFAOYSA-N -1 3 366.469 2.720 20 30 FFEDHM C=CCC(CC=C)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000819734369 606951193 /nfs/dbraw/zinc/95/11/93/606951193.db2.gz NEBXYYIXERUDHH-UHFFFAOYSA-N -1 3 366.469 2.720 20 30 FFEDHM C=C(Br)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000819718783 607040579 /nfs/dbraw/zinc/04/05/79/607040579.db2.gz PVQKBNNPEBLOFQ-UHFFFAOYSA-N -1 3 360.009 2.917 20 30 FFEDHM C=C(Br)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000819718783 607040580 /nfs/dbraw/zinc/04/05/80/607040580.db2.gz PVQKBNNPEBLOFQ-UHFFFAOYSA-N -1 3 360.009 2.917 20 30 FFEDHM C=CCn1c(C2CC2)nn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1=S ZINC000823937200 607845928 /nfs/dbraw/zinc/84/59/28/607845928.db2.gz MEUYUGALABUQJY-UHFFFAOYSA-N -1 3 368.470 2.751 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000826402267 607884839 /nfs/dbraw/zinc/88/48/39/607884839.db2.gz PZBMFIVLTSESEJ-HJWRWDBZSA-N -1 3 361.361 2.719 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(N2CCOC2=O)c1 ZINC000826402267 607884840 /nfs/dbraw/zinc/88/48/40/607884840.db2.gz PZBMFIVLTSESEJ-HJWRWDBZSA-N -1 3 361.361 2.719 20 30 FFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000824004682 607915373 /nfs/dbraw/zinc/91/53/73/607915373.db2.gz CSNAACUQBMLCRY-VURMDHGXSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000824004682 607915374 /nfs/dbraw/zinc/91/53/74/607915374.db2.gz CSNAACUQBMLCRY-VURMDHGXSA-N -1 3 351.341 2.860 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823850089 607965997 /nfs/dbraw/zinc/96/59/97/607965997.db2.gz JQJCGOPIINSGFE-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM C#CCNC(=S)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823850089 607965998 /nfs/dbraw/zinc/96/59/98/607965998.db2.gz JQJCGOPIINSGFE-UHFFFAOYSA-N -1 3 350.407 2.579 20 30 FFEDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000824763632 608070048 /nfs/dbraw/zinc/07/00/48/608070048.db2.gz OHLYHFNNDORADW-IFXJQAMLSA-N -1 3 360.421 2.873 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C1CCSCC1 ZINC000823909973 608219681 /nfs/dbraw/zinc/21/96/81/608219681.db2.gz UTVRYPJKRVJAQM-UHFFFAOYSA-N -1 3 355.467 2.835 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C1CCSCC1 ZINC000823909973 608219682 /nfs/dbraw/zinc/21/96/82/608219682.db2.gz UTVRYPJKRVJAQM-UHFFFAOYSA-N -1 3 355.467 2.835 20 30 FFEDHM COc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1C#N ZINC000826203755 608233316 /nfs/dbraw/zinc/23/33/16/608233316.db2.gz DXMPOVHUXDIALL-UHFFFAOYSA-N -1 3 357.377 2.907 20 30 FFEDHM COc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1C#N ZINC000826203755 608233317 /nfs/dbraw/zinc/23/33/17/608233317.db2.gz DXMPOVHUXDIALL-UHFFFAOYSA-N -1 3 357.377 2.907 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824109091 608289316 /nfs/dbraw/zinc/28/93/16/608289316.db2.gz MYQPCELFWUGPOF-CYBMUJFWSA-N -1 3 357.418 2.712 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824109091 608289318 /nfs/dbraw/zinc/28/93/18/608289318.db2.gz MYQPCELFWUGPOF-CYBMUJFWSA-N -1 3 357.418 2.712 20 30 FFEDHM C=CC[C@@H](CO)CNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000823888733 608411389 /nfs/dbraw/zinc/41/13/89/608411389.db2.gz UYPCSXFJZDBFDY-CYBMUJFWSA-N -1 3 363.425 2.573 20 30 FFEDHM C=CC[C@@H](CO)CNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000823888733 608411391 /nfs/dbraw/zinc/41/13/91/608411391.db2.gz UYPCSXFJZDBFDY-CYBMUJFWSA-N -1 3 363.425 2.573 20 30 FFEDHM N#Cc1ccc(C2=CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1 ZINC000826384724 608442527 /nfs/dbraw/zinc/44/25/27/608442527.db2.gz HEDBAMZCNDERPO-UHFFFAOYSA-N -1 3 369.432 2.916 20 30 FFEDHM N#Cc1ccc(C2=CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)cc1 ZINC000826384724 608442529 /nfs/dbraw/zinc/44/25/29/608442529.db2.gz HEDBAMZCNDERPO-UHFFFAOYSA-N -1 3 369.432 2.916 20 30 FFEDHM C#C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1 ZINC000823838273 608454953 /nfs/dbraw/zinc/45/49/53/608454953.db2.gz NEVPRHQKHSJHJL-HNNXBMFYSA-N -1 3 364.361 2.607 20 30 FFEDHM C#C[C@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1 ZINC000823838273 608454954 /nfs/dbraw/zinc/45/49/54/608454954.db2.gz NEVPRHQKHSJHJL-HNNXBMFYSA-N -1 3 364.361 2.607 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@H]2CCOc3ccccc32)n1 ZINC000826350098 608536003 /nfs/dbraw/zinc/53/60/03/608536003.db2.gz IJTIJAFERVABTR-SNVBAGLBSA-N -1 3 355.789 2.879 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@H]2CCOc3ccccc32)n1 ZINC000826350098 608536005 /nfs/dbraw/zinc/53/60/05/608536005.db2.gz IJTIJAFERVABTR-SNVBAGLBSA-N -1 3 355.789 2.879 20 30 FFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1OC ZINC000826215088 609271978 /nfs/dbraw/zinc/27/19/78/609271978.db2.gz GJKUONDTYXXAMB-CLFYSBASSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1OC ZINC000826215088 609271979 /nfs/dbraw/zinc/27/19/79/609271979.db2.gz GJKUONDTYXXAMB-CLFYSBASSA-N -1 3 354.341 2.919 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953443 609273607 /nfs/dbraw/zinc/27/36/07/609273607.db2.gz AELJYEKWAOBQQP-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953443 609273608 /nfs/dbraw/zinc/27/36/08/609273608.db2.gz AELJYEKWAOBQQP-UHFFFAOYSA-N -1 3 355.402 2.716 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccncc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359634 609307868 /nfs/dbraw/zinc/30/78/68/609307868.db2.gz MJHAXFXHYJKCRT-SREVYHEPSA-N -1 3 357.377 2.558 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccncc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359634 609307869 /nfs/dbraw/zinc/30/78/69/609307869.db2.gz MJHAXFXHYJKCRT-SREVYHEPSA-N -1 3 357.377 2.558 20 30 FFEDHM Clc1cc(NN=Cc2cnc3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000826351466 609474311 /nfs/dbraw/zinc/47/43/11/609474311.db2.gz NQVOSNDIHAYEPJ-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM Clc1cc(NN=Cc2cnc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000826351466 609474314 /nfs/dbraw/zinc/47/43/14/609474314.db2.gz NQVOSNDIHAYEPJ-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000826186957 609484320 /nfs/dbraw/zinc/48/43/20/609484320.db2.gz RSUAODIWHQKJDX-GFCCVEGCSA-N -1 3 350.382 2.778 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000826186957 609484322 /nfs/dbraw/zinc/48/43/22/609484322.db2.gz RSUAODIWHQKJDX-GFCCVEGCSA-N -1 3 350.382 2.778 20 30 FFEDHM C#CCCCCCC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000823841472 609601989 /nfs/dbraw/zinc/60/19/89/609601989.db2.gz NZIGLDDFYWFDIQ-UHFFFAOYSA-N -1 3 351.414 2.759 20 30 FFEDHM C#CCCCCCC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC000823841472 609601993 /nfs/dbraw/zinc/60/19/93/609601993.db2.gz NZIGLDDFYWFDIQ-UHFFFAOYSA-N -1 3 351.414 2.759 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C#N)C(C)(C)C)ccc1F ZINC000154371561 728803171 /nfs/dbraw/zinc/80/31/71/728803171.db2.gz ILLGXEMCHNMXSF-AWEZNQCLSA-N -1 3 370.446 2.998 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)n2)ccc1F ZINC000155054731 728819236 /nfs/dbraw/zinc/81/92/36/728819236.db2.gz PTGGXDXDXRZKMF-UHFFFAOYSA-N -1 3 363.414 2.554 20 30 FFEDHM O=[N+]([O-])c1ccc(Cl)cc1C=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448242 735298090 /nfs/dbraw/zinc/29/80/90/735298090.db2.gz GJGMANDFTBPAKS-UHFFFAOYSA-N -1 3 367.814 2.744 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(C)c([N+](=O)[O-])c1 ZINC000743448207 735298106 /nfs/dbraw/zinc/29/81/06/735298106.db2.gz DTIDGYRZJGZFJW-UHFFFAOYSA-N -1 3 361.423 2.789 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1F ZINC000045263727 727999658 /nfs/dbraw/zinc/99/96/58/727999658.db2.gz VLKQVDYBQXIOOS-UHFFFAOYSA-N -1 3 354.447 2.695 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1F ZINC000045284618 728000159 /nfs/dbraw/zinc/00/01/59/728000159.db2.gz RHDYZXVPYSKOLO-SWLSCSKDSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1F ZINC000045284614 728000176 /nfs/dbraw/zinc/00/01/76/728000176.db2.gz RHDYZXVPYSKOLO-WFASDCNBSA-N -1 3 354.447 2.599 20 30 FFEDHM C#CCCOC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000859004588 730439301 /nfs/dbraw/zinc/43/93/01/730439301.db2.gz UFAPYAHKJAYSQT-UHFFFAOYSA-N -1 3 350.802 2.856 20 30 FFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000859425595 730454327 /nfs/dbraw/zinc/45/43/27/730454327.db2.gz IHWLJMOIWLRZGX-NSHDSACASA-N -1 3 353.337 2.551 20 30 FFEDHM C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000859430940 730454579 /nfs/dbraw/zinc/45/45/79/730454579.db2.gz XMNVOPCPYKKCDM-SNVBAGLBSA-N -1 3 355.765 2.675 20 30 FFEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)C1CCS(=O)(=O)CC1 ZINC000863129430 730751805 /nfs/dbraw/zinc/75/18/05/730751805.db2.gz VGBQKKIOTSQQKM-UHFFFAOYSA-N -1 3 350.469 2.905 20 30 FFEDHM C[S@@](=O)(=NS(=O)(=O)[N-]CC1CCC(C#N)CC1)C1CCCCC1 ZINC000882159434 733181091 /nfs/dbraw/zinc/18/10/91/733181091.db2.gz ZZEFEKRWVMHNMQ-PZEOVBFPSA-N -1 3 361.533 2.581 20 30 FFEDHM C[S@@](=O)(=NS(=O)(=O)[N-]c1cccc(CC#N)c1)C1CCCCC1 ZINC000882737390 733283938 /nfs/dbraw/zinc/28/39/38/733283938.db2.gz KPNHQJJHDYUHHH-QFIPXVFZSA-N -1 3 355.485 2.840 20 30 FFEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCC(C)(C)C#N)ccc1F ZINC000782725054 738751908 /nfs/dbraw/zinc/75/19/08/738751908.db2.gz IAGVYAYFSVLEAS-UHFFFAOYSA-N -1 3 370.446 2.999 20 30 FFEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(C)(C)C ZINC000729096211 734559256 /nfs/dbraw/zinc/55/92/56/734559256.db2.gz QPBRYNIPZRPFHI-AWEZNQCLSA-N -1 3 366.483 2.729 20 30 FFEDHM Cn1ncc([N-]c2nc(N)nc(C(F)(F)C(F)(F)F)n2)c1C(F)F ZINC000893004160 734636545 /nfs/dbraw/zinc/63/65/45/734636545.db2.gz RVRPITKWYAVNOQ-UHFFFAOYSA-N -1 3 359.209 2.523 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000730995903 734661515 /nfs/dbraw/zinc/66/15/15/734661515.db2.gz BSCMXCWWDTXRKU-UHFFFAOYSA-N -1 3 359.403 2.661 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)ccc1F ZINC000733116145 734791156 /nfs/dbraw/zinc/79/11/56/734791156.db2.gz ZLMLVQHNXVHHHE-HEHGZKQESA-N -1 3 368.474 2.845 20 30 FFEDHM Cc1nnc2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)cn12 ZINC000733679338 734842211 /nfs/dbraw/zinc/84/22/11/734842211.db2.gz YFNNANCAJJNBTO-GFCCVEGCSA-N -1 3 353.769 2.652 20 30 FFEDHM C#CC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000733978871 734865484 /nfs/dbraw/zinc/86/54/84/734865484.db2.gz GMZWBRWUXCWUGI-UHFFFAOYSA-N -1 3 360.410 2.768 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(Cl)c1 ZINC000734119957 734875656 /nfs/dbraw/zinc/87/56/56/734875656.db2.gz LVTBJSWGGDQQLJ-UHFFFAOYSA-N -1 3 373.825 2.902 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000734303096 734888346 /nfs/dbraw/zinc/88/83/46/734888346.db2.gz DBZUUWZAMQEWRZ-GXHLCREISA-N -1 3 358.785 2.910 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccncc1 ZINC000734503386 734900744 /nfs/dbraw/zinc/90/07/44/734900744.db2.gz JOFCYLATFVCOCD-HNNXBMFYSA-N -1 3 364.398 2.603 20 30 FFEDHM COc1ccc(Cn2ccc(C=N[O-])nc2=O)cc1SC(F)(F)F ZINC000742358473 735232992 /nfs/dbraw/zinc/23/29/92/735232992.db2.gz JLXKUQVTRUSSEG-UHFFFAOYSA-N -1 3 359.329 2.720 20 30 FFEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)cc2)co1 ZINC000901774956 735837511 /nfs/dbraw/zinc/83/75/11/735837511.db2.gz UXTRSQVFZMUKDR-CYBMUJFWSA-N -1 3 359.329 2.773 20 30 FFEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)n1 ZINC000752160775 735961890 /nfs/dbraw/zinc/96/18/90/735961890.db2.gz MHQWRORAJGXSBU-LLVKDONJSA-N -1 3 359.769 2.713 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cnc(-c2ccncc2)s1 ZINC000753167053 736042743 /nfs/dbraw/zinc/04/27/43/736042743.db2.gz UXFRZCHDCPGSIJ-UHFFFAOYSA-N -1 3 372.475 2.701 20 30 FFEDHM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(Cc3cc(Cl)cc(C#N)c3)C2)cn1 ZINC000903411366 736088878 /nfs/dbraw/zinc/08/88/78/736088878.db2.gz LHFGZACFXCNYMA-LSDHHAIUSA-N -1 3 358.829 2.635 20 30 FFEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cc(Cl)c(N)c(Cl)c1 ZINC000754705132 736189876 /nfs/dbraw/zinc/18/98/76/736189876.db2.gz OIPNESTWDXWYEV-UHFFFAOYSA-N -1 3 366.212 2.794 20 30 FFEDHM O=C(CCCC(F)(F)F)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904184614 736231557 /nfs/dbraw/zinc/23/15/57/736231557.db2.gz VMUOIVMLCAEZLO-UHFFFAOYSA-N -1 3 358.316 2.623 20 30 FFEDHM O=C(c1ccc(CN2CCOCC2)o1)N([O-])Cc1ccccc1Cl ZINC000904192358 736232262 /nfs/dbraw/zinc/23/22/62/736232262.db2.gz JGKSXSAKYFJJHU-UHFFFAOYSA-N -1 3 350.802 2.797 20 30 FFEDHM CN1C(=O)C[C@H](C(=O)N([O-])Cc2ccccc2Cl)[C@H]1c1cccnc1 ZINC000904192272 736232416 /nfs/dbraw/zinc/23/24/16/736232416.db2.gz GPNAFEBROIIWQR-WMLDXEAASA-N -1 3 359.813 2.672 20 30 FFEDHM CCCCN([O-])C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000904209263 736233819 /nfs/dbraw/zinc/23/38/19/736233819.db2.gz XJWVXNWTDFWUHI-UHFFFAOYSA-N -1 3 361.211 2.726 20 30 FFEDHM CCOC(=O)c1sc([C@H](C)/N=C\c2c(CO)cnc(C)c2[O-])nc1C ZINC000756776268 736360669 /nfs/dbraw/zinc/36/06/69/736360669.db2.gz UVLMRXMPNNBWKV-PUVJPQRFSA-N -1 3 363.439 2.710 20 30 FFEDHM COc1cc(C=NNc2cncc(Br)c2)c([N+](=O)[O-])cc1[O-] ZINC000758129843 736454674 /nfs/dbraw/zinc/45/46/74/736454674.db2.gz KXAVQMSJOCWNQM-UHFFFAOYSA-N -1 3 367.159 2.913 20 30 FFEDHM COc1ccc(C=NNC(=S)NC(C)(C)C)c(Br)c1[O-] ZINC000761014943 736688203 /nfs/dbraw/zinc/68/82/03/736688203.db2.gz HZVCOWDVNDZYNF-UHFFFAOYSA-N -1 3 360.277 2.760 20 30 FFEDHM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000908402226 736771074 /nfs/dbraw/zinc/77/10/74/736771074.db2.gz BTAXYFHORRAFPG-ZDUSSCGKSA-N -1 3 363.414 2.676 20 30 FFEDHM C#CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)n1 ZINC000762011253 736782031 /nfs/dbraw/zinc/78/20/31/736782031.db2.gz WVLFCOOQBINIOD-UHFFFAOYSA-N -1 3 360.370 2.570 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750189 736825601 /nfs/dbraw/zinc/82/56/01/736825601.db2.gz BUVQFGVRGBMJPN-QWHCGFSZSA-N -1 3 371.890 2.780 20 30 FFEDHM C=CCCC[C@H](C)OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000765461118 737121288 /nfs/dbraw/zinc/12/12/88/737121288.db2.gz JRMVJAHZYSOPBU-JTQLQIEISA-N -1 3 351.877 2.968 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c(Cl)cc1Cl ZINC000766047827 737186557 /nfs/dbraw/zinc/18/65/57/737186557.db2.gz XARAPXGRULWASW-NSHDSACASA-N -1 3 365.238 2.606 20 30 FFEDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(C#N)c(F)c2)c1C ZINC000769416592 737526550 /nfs/dbraw/zinc/52/65/50/737526550.db2.gz ZXHJQFKVULYWAU-UHFFFAOYSA-N -1 3 366.370 2.587 20 30 FFEDHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1ccccc1 ZINC000920554439 737914127 /nfs/dbraw/zinc/91/41/27/737914127.db2.gz LNSDNPJVAAUWII-GOSISDBHSA-N -1 3 356.447 2.997 20 30 FFEDHM CCOC(=O)c1cnc([N-]N=Cc2c(Cl)nc3sccn23)nc1C ZINC000777892038 738329539 /nfs/dbraw/zinc/32/95/39/738329539.db2.gz ZEGWDTAIFOWJOD-UHFFFAOYSA-N -1 3 364.818 2.770 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(C)o1 ZINC000778058969 738349393 /nfs/dbraw/zinc/34/93/93/738349393.db2.gz RMSBSRYNGAELMZ-CQSZACIVSA-N -1 3 352.387 2.655 20 30 FFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccccc1 ZINC000778641811 738400901 /nfs/dbraw/zinc/40/09/01/738400901.db2.gz JGBRPEBZDNNRAJ-CQSZACIVSA-N -1 3 361.419 2.672 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C(=O)OCC)c(C(F)(F)F)s1 ZINC000931595759 739294905 /nfs/dbraw/zinc/29/49/05/739294905.db2.gz MPXIGRHWXAXCLQ-LURJTMIESA-N -1 3 353.322 2.966 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Br)cn1 ZINC000794497136 739898205 /nfs/dbraw/zinc/89/82/05/739898205.db2.gz KXFBBZJITMLQIM-UHFFFAOYSA-N -1 3 368.256 2.688 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(N=Cc2cc3ccccc3[nH]c2=O)ccc1F ZINC000794681250 739918922 /nfs/dbraw/zinc/91/89/22/739918922.db2.gz RPXUEKXNBJOGOC-UHFFFAOYSA-N -1 3 359.382 2.738 20 30 FFEDHM CC(C)(C#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796767278 740181269 /nfs/dbraw/zinc/18/12/69/740181269.db2.gz DEWMYITUYKZEOO-UHFFFAOYSA-N -1 3 350.318 2.536 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCc2c([O-])cccc2Cl)C1 ZINC000798274349 740318782 /nfs/dbraw/zinc/31/87/82/740318782.db2.gz CPTXVUAGTNNVOR-RISCZKNCSA-N -1 3 351.834 2.894 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCCF ZINC000803248401 740779957 /nfs/dbraw/zinc/77/99/57/740779957.db2.gz VVKXGKSXCURDQI-CQSZACIVSA-N -1 3 370.446 2.577 20 30 FFEDHM O=C1Nc2cc(Br)ccc2C1=N[N-]c1ccc(Cl)nn1 ZINC000812380831 741615514 /nfs/dbraw/zinc/61/55/14/741615514.db2.gz QHFOIEQMBCKLCW-UHFFFAOYSA-N -1 3 352.579 2.661 20 30 FFEDHM COCc1nc(Cl)cc([N-]N=C2C(=O)Nc3cccc(Cl)c32)n1 ZINC000814977396 741878064 /nfs/dbraw/zinc/87/80/64/741878064.db2.gz MCPARHGPZWUJLK-UHFFFAOYSA-N -1 3 352.181 2.698 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000816695501 742054074 /nfs/dbraw/zinc/05/40/74/742054074.db2.gz DJWBGJGBZZFWDW-MRXNPFEDSA-N -1 3 360.797 2.639 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)ccc1F ZINC000817218000 742107413 /nfs/dbraw/zinc/10/74/13/742107413.db2.gz NGTLNULKPZHNJP-MRXNPFEDSA-N -1 3 368.474 2.797 20 30 FFEDHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000817353278 742127541 /nfs/dbraw/zinc/12/75/41/742127541.db2.gz DJZZXHKNBIUMIK-SFHVURJKSA-N -1 3 360.435 2.588 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000820150229 742468101 /nfs/dbraw/zinc/46/81/01/742468101.db2.gz WXTNRBGJONQLIG-JTQLQIEISA-N -1 3 371.340 2.549 20 30 FFEDHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCCN([O-])C1=O ZINC000820476581 742509802 /nfs/dbraw/zinc/50/98/02/742509802.db2.gz NAWBEMYZIQVFFI-CYBMUJFWSA-N -1 3 365.842 2.502 20 30 FFEDHM CCOc1cc(/C=C/C(=O)c2cnnn2C)cc(Br)c1[O-] ZINC000821017920 742578217 /nfs/dbraw/zinc/57/82/17/742578217.db2.gz SDNBINWELNCHBE-SNAWJCMRSA-N -1 3 352.188 2.578 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000832130003 745641440 /nfs/dbraw/zinc/64/14/40/745641440.db2.gz HSCGDQHTIJRTDR-UHFFFAOYSA-N -1 3 352.225 2.841 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC/C=C/Cl ZINC000839223165 746803023 /nfs/dbraw/zinc/80/30/23/746803023.db2.gz LXCWDBAMRDKAHI-PPOCWRSBSA-N -1 3 370.858 2.580 20 30 FFEDHM C[C@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(F)c(Br)c1 ZINC000848131869 748850252 /nfs/dbraw/zinc/85/02/52/748850252.db2.gz FFPQPOHEXDMCON-RNCFNFMXSA-N -1 3 373.222 2.578 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)cc1Br ZINC000091416400 845607893 /nfs/dbraw/zinc/60/78/93/845607893.db2.gz UWZOUSBHVGRCKF-ZCFIWIBFSA-N -1 3 368.050 2.865 20 30 FFEDHM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737343894 945044440 /nfs/dbraw/zinc/04/44/40/945044440.db2.gz XLVFDZQRAHBXJY-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737343894 945044447 /nfs/dbraw/zinc/04/44/47/945044447.db2.gz XLVFDZQRAHBXJY-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Fc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCCO2 ZINC000822782960 946170632 /nfs/dbraw/zinc/17/06/32/946170632.db2.gz NRFRKJZHWNCIGZ-UHFFFAOYSA-N -1 3 352.373 2.672 20 30 FFEDHM Fc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCCO2 ZINC000822782960 946170639 /nfs/dbraw/zinc/17/06/39/946170639.db2.gz NRFRKJZHWNCIGZ-UHFFFAOYSA-N -1 3 352.373 2.672 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000823903977 946512417 /nfs/dbraw/zinc/51/24/17/946512417.db2.gz PVKDXIAAXPCVSG-UHFFFAOYSA-N -1 3 369.450 2.809 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000823903977 946512429 /nfs/dbraw/zinc/51/24/29/946512429.db2.gz PVKDXIAAXPCVSG-UHFFFAOYSA-N -1 3 369.450 2.809 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001573288560 946870797 /nfs/dbraw/zinc/87/07/97/946870797.db2.gz MSLIHXPUMHAOAU-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001573288560 946870807 /nfs/dbraw/zinc/87/08/07/946870807.db2.gz MSLIHXPUMHAOAU-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM C#Cc1cccc(CNC(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001573290775 946909501 /nfs/dbraw/zinc/90/95/01/946909501.db2.gz PDXPLDAEQOISHO-IBGZPJMESA-N -1 3 372.432 2.725 20 30 FFEDHM C#Cc1cccc(CNC(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001573290775 946909511 /nfs/dbraw/zinc/90/95/11/946909511.db2.gz PDXPLDAEQOISHO-IBGZPJMESA-N -1 3 372.432 2.725 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573299741 947098700 /nfs/dbraw/zinc/09/87/00/947098700.db2.gz LMIVZSLSBOBAON-DZGCQCFKSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573299741 947098717 /nfs/dbraw/zinc/09/87/17/947098717.db2.gz LMIVZSLSBOBAON-DZGCQCFKSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573315986 947264357 /nfs/dbraw/zinc/26/43/57/947264357.db2.gz RNFPXYXMTWYBQW-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573315986 947264362 /nfs/dbraw/zinc/26/43/62/947264362.db2.gz RNFPXYXMTWYBQW-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573319771 947335414 /nfs/dbraw/zinc/33/54/14/947335414.db2.gz QQFQBAIPHWWYBB-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573319771 947335429 /nfs/dbraw/zinc/33/54/29/947335429.db2.gz QQFQBAIPHWWYBB-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001573328378 947406373 /nfs/dbraw/zinc/40/63/73/947406373.db2.gz VKKUVTPFLSCCRR-QGZVFWFLSA-N -1 3 368.485 2.944 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc(OC)c1O ZINC000826178589 947552732 /nfs/dbraw/zinc/55/27/32/947552732.db2.gz DNTGUHZZPUXIBX-UTCJRWHESA-N -1 3 370.340 2.625 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc(OC)c1O ZINC000826178589 947552742 /nfs/dbraw/zinc/55/27/42/947552742.db2.gz DNTGUHZZPUXIBX-UTCJRWHESA-N -1 3 370.340 2.625 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475851 948378093 /nfs/dbraw/zinc/37/80/93/948378093.db2.gz SQUILIDYBXSEMQ-WZUFQYTHSA-N -1 3 367.296 2.573 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475851 948378099 /nfs/dbraw/zinc/37/80/99/948378099.db2.gz SQUILIDYBXSEMQ-WZUFQYTHSA-N -1 3 367.296 2.573 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)CC2 ZINC001275902764 1013166989 /nfs/dbraw/zinc/16/69/89/1013166989.db2.gz KOOGBIVLFCSSJO-OAHLLOKOSA-N -1 3 359.470 2.624 20 30 FFEDHM CCc1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000007673894 1013196368 /nfs/dbraw/zinc/19/63/68/1013196368.db2.gz VUKPDFNNQKYTBE-UHFFFAOYSA-N -1 3 366.417 2.785 20 30 FFEDHM Cc1ccc(OCCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000007673974 1013196660 /nfs/dbraw/zinc/19/66/60/1013196660.db2.gz QYHLAAOQVOOXPR-UHFFFAOYSA-N -1 3 354.406 2.727 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cc(C(N)=O)cs1 ZINC000121310548 963730824 /nfs/dbraw/zinc/73/08/24/963730824.db2.gz OKINVCDGQREVPH-CQSZACIVSA-N -1 3 363.398 2.961 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121785161 966367975 /nfs/dbraw/zinc/36/79/75/966367975.db2.gz IXDNCGNKJBAISB-INIZCTEOSA-N -1 3 353.334 2.873 20 30 FFEDHM CCN(CC)S(=O)(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1C ZINC000046705965 970726375 /nfs/dbraw/zinc/72/63/75/970726375.db2.gz LSTVNWFHPKINDY-INIZCTEOSA-N -1 3 371.462 2.911 20 30 FFEDHM N#CC(=C([O-])c1cccc2c1OCCCO2)c1nnc2n1CCCCC2 ZINC000651268203 970752707 /nfs/dbraw/zinc/75/27/07/970752707.db2.gz AJNGOPXEJCWIBQ-AWEZNQCLSA-N -1 3 352.394 2.656 20 30 FFEDHM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3ccc(O)cc3[O-])CC2)C1=O ZINC001271855555 979153884 /nfs/dbraw/zinc/15/38/84/979153884.db2.gz NDBVUIUYWWOSSI-HXUWFJFHSA-N -1 3 358.438 2.519 20 30 FFEDHM Cc1c(C(=O)N([O-])CCCCc2ccccc2)nnn1Cc1ccncc1 ZINC000904195736 980211508 /nfs/dbraw/zinc/21/15/08/980211508.db2.gz JVMFVMHYANBWGP-UHFFFAOYSA-N -1 3 365.437 2.884 20 30 FFEDHM COCCn1cc(C(=O)N([O-])CCCCc2ccccc2)c(=O)cc1C ZINC000904198277 980212936 /nfs/dbraw/zinc/21/29/36/980212936.db2.gz YSABXPHTTULQNJ-UHFFFAOYSA-N -1 3 358.438 2.657 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])CC1 ZINC000908946577 981575632 /nfs/dbraw/zinc/57/56/32/981575632.db2.gz UMGRGEMWKPQUEJ-GOSISDBHSA-N -1 3 357.454 2.561 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000909000729 981591057 /nfs/dbraw/zinc/59/10/57/981591057.db2.gz OZKRGHBFLYLVCJ-JQHSSLGASA-N -1 3 359.470 2.758 20 30 FFEDHM CCOC(=O)N1CCC([C@H](C)NCc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001596644666 984654142 /nfs/dbraw/zinc/65/41/42/984654142.db2.gz SLGRDJHBLPWVKX-ZDUSSCGKSA-N -1 3 359.426 2.603 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])c(C)c1 ZINC000129806648 984698898 /nfs/dbraw/zinc/69/88/98/984698898.db2.gz FUSXQCSTELSKBE-ZDUSSCGKSA-N -1 3 353.334 2.873 20 30 FFEDHM CCCCn1ccnc1-c1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000878951302 1015300532 /nfs/dbraw/zinc/30/05/32/1015300532.db2.gz JMAHJPPKUSHBJV-INIZCTEOSA-N -1 3 371.441 2.852 20 30 FFEDHM COc1ccc(C[C@@H](C)C/N=C/c2c([O-])c(C)ncc2CO)cc1OC ZINC000762436683 988366947 /nfs/dbraw/zinc/36/69/47/988366947.db2.gz OZJBQMZWBBKUER-SRRANQMSSA-N -1 3 358.438 2.903 20 30 FFEDHM COc1cc(C(=O)/C=C\c2ccc(-n3cncn3)cc2)c(OC)cc1[O-] ZINC000763105721 989039240 /nfs/dbraw/zinc/03/92/40/989039240.db2.gz NOYHREITIHYNBX-YVMONPNESA-N -1 3 351.362 2.886 20 30 FFEDHM COc1cc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)c(OC)cc1[O-] ZINC000763107823 989041311 /nfs/dbraw/zinc/04/13/11/989041311.db2.gz YAYDWPJJBBPXBX-AATRIKPKSA-N -1 3 355.394 2.696 20 30 FFEDHM COc1cccc([C@@]2(C)NC(=O)N(N=Cc3cc(Cl)ccc3[O-])C2=O)c1 ZINC000916350312 989778315 /nfs/dbraw/zinc/77/83/15/989778315.db2.gz XIEATFCIKKFPAB-GOSISDBHSA-N -1 3 373.796 2.855 20 30 FFEDHM CCCCCCCCCC(=O)N1C[C@@H](CNCc2n[nH]c(=O)[n-]2)[C@H](C)C1 ZINC001106914825 991787591 /nfs/dbraw/zinc/78/75/91/991787591.db2.gz GMNXOACFKVIVQZ-HZPDHXFCSA-N -1 3 365.522 2.835 20 30 FFEDHM N#Cc1ccc(C2(NC(=O)c3c[n-]c4ccccc4c3=O)CCOCC2)cc1 ZINC001132134060 994727817 /nfs/dbraw/zinc/72/78/17/994727817.db2.gz AMIAYGVRZSTJGE-UHFFFAOYSA-N -1 3 373.412 2.835 20 30 FFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2cc([O-])cc(C#N)c2)c1C#N ZINC000811188275 995053410 /nfs/dbraw/zinc/05/34/10/995053410.db2.gz YLNALIQWEPOXHT-UHFFFAOYSA-N -1 3 358.357 2.987 20 30 FFEDHM CCOC(=O)C1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)CCOCC1 ZINC000813218664 995641561 /nfs/dbraw/zinc/64/15/61/995641561.db2.gz REYQAEUYPZWXPL-LBPRGKRZSA-N -1 3 370.327 2.637 20 30 FFEDHM C[C@H](c1ccncc1)N1CCC(Nc2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001593722761 996252651 /nfs/dbraw/zinc/25/26/51/996252651.db2.gz CMENHHXBOXBNJR-CYBMUJFWSA-N -1 3 351.410 2.684 20 30 FFEDHM C[C@@H](OCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1nccn1C ZINC000845845173 998664073 /nfs/dbraw/zinc/66/40/73/998664073.db2.gz WCMSJBSTBXFYCH-GDBMZVCRSA-N -1 3 351.406 2.507 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000740811080 999685524 /nfs/dbraw/zinc/68/55/24/999685524.db2.gz OPPQIPXQBGEZAG-UHFFFAOYSA-N -1 3 373.409 2.933 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169539357 1000057586 /nfs/dbraw/zinc/05/75/86/1000057586.db2.gz IJTDBNLBFVGKPY-KDOFPFPSSA-N -1 3 364.449 2.608 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1Br ZINC001169581406 1000062446 /nfs/dbraw/zinc/06/24/46/1000062446.db2.gz PGIHBEZPVVBFEF-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1Br ZINC001169581406 1000062449 /nfs/dbraw/zinc/06/24/49/1000062449.db2.gz PGIHBEZPVVBFEF-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM COc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1OCC(C)C ZINC000769816216 1000611301 /nfs/dbraw/zinc/61/13/01/1000611301.db2.gz DBFXVHBSBJKGPO-UHFFFAOYSA-N -1 3 370.413 2.558 20 30 FFEDHM C=CCOc1ccc(C(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)cc1 ZINC001148463566 1001147905 /nfs/dbraw/zinc/14/79/05/1001147905.db2.gz LFGSCTUHLYTISO-INIZCTEOSA-N -1 3 374.437 2.907 20 30 FFEDHM C#CCNC(=O)c1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786837152 1001628805 /nfs/dbraw/zinc/62/88/05/1001628805.db2.gz DKJNLVSHTBSOFR-UHFFFAOYSA-N -1 3 354.381 2.856 20 30 FFEDHM CSCc1nc2sc(C)c(C)c2c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001171363296 1001720711 /nfs/dbraw/zinc/72/07/11/1001720711.db2.gz XGAJBAAXRWSRGA-MADCSZMMSA-N -1 3 352.485 2.819 20 30 FFEDHM C=CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc(OC)c1OC ZINC000747020982 1002734882 /nfs/dbraw/zinc/73/48/82/1002734882.db2.gz MOFRTDLCYCRBBF-HNNXBMFYSA-N -1 3 365.389 2.788 20 30 FFEDHM CC(C)c1ccc([C@H](NC(=O)Cn2ccc(C=N[O-])nc2=O)C(C)C)cc1 ZINC000774821394 1002806952 /nfs/dbraw/zinc/80/69/52/1002806952.db2.gz PSMYEBLRKXWAPR-LJQANCHMSA-N -1 3 370.453 2.688 20 30 FFEDHM C[C@H]1C(=O)Nc2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc2N1C ZINC000792110413 1002909032 /nfs/dbraw/zinc/90/90/32/1002909032.db2.gz LJHLDOKUWBFUPC-JSGCOSHPSA-N -1 3 371.400 2.897 20 30 FFEDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001186116911 1003187964 /nfs/dbraw/zinc/18/79/64/1003187964.db2.gz OQZVPVDEYFXTOS-AWEZNQCLSA-N -1 3 371.453 2.769 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc3c(c2)CCCC3)cc1 ZINC000792994352 1003255385 /nfs/dbraw/zinc/25/53/85/1003255385.db2.gz ACJLBYIAIADSMN-UHFFFAOYSA-N -1 3 373.434 2.927 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000793123295 1003277675 /nfs/dbraw/zinc/27/76/75/1003277675.db2.gz GUTMGGNXAVWDHP-MRXNPFEDSA-N -1 3 374.400 2.970 20 30 FFEDHM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186350802 1003284739 /nfs/dbraw/zinc/28/47/39/1003284739.db2.gz MYZKXLLNLWQJLL-LLVKDONJSA-N -1 3 366.668 2.714 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCCC1 ZINC001186351568 1003285203 /nfs/dbraw/zinc/28/52/03/1003285203.db2.gz BMYOGZPZHHUVFI-UHFFFAOYSA-N -1 3 364.652 2.612 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)cs2)cc1 ZINC000747109642 1003312624 /nfs/dbraw/zinc/31/26/24/1003312624.db2.gz ZBNHKADDPYOWDQ-AWEZNQCLSA-N -1 3 372.402 2.895 20 30 FFEDHM N#C[C@H]1CC[C@H](NC(=O)c2cc([O-])cc(I)c2)CC1 ZINC001196428739 1003775532 /nfs/dbraw/zinc/77/55/32/1003775532.db2.gz QFFORQLMBYRAOC-OTCDBFHCSA-N -1 3 370.190 2.809 20 30 FFEDHM COc1cccc(OC)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196697961 1003917972 /nfs/dbraw/zinc/91/79/72/1003917972.db2.gz MKAIMBKKIDLGDT-UHFFFAOYSA-N -1 3 366.826 2.707 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCOCC3)cc2)cc1 ZINC001193160930 1004394651 /nfs/dbraw/zinc/39/46/51/1004394651.db2.gz KTYCOTDWAJUPAC-OAHLLOKOSA-N -1 3 371.462 2.844 20 30 FFEDHM CCCc1ncncc1C(=O)Nc1c(C)c([O-])c(C(=O)OCC)cc1C#N ZINC001193445274 1004478975 /nfs/dbraw/zinc/47/89/75/1004478975.db2.gz BCXVSYCXDDIPLJ-UHFFFAOYSA-N -1 3 368.393 2.744 20 30 FFEDHM CC(C)(C#N)c1ccc([N-]S(=O)(=O)Cc2noc3ccccc23)cn1 ZINC001194052199 1004640881 /nfs/dbraw/zinc/64/08/81/1004640881.db2.gz WTXHTCQOZLBZCC-UHFFFAOYSA-N -1 3 356.407 2.966 20 30 FFEDHM Cc1cc([N+](=O)[O-])ccc1NN=C1C(=O)[N-]c2c1cc([N+](=O)[O-])cc2F ZINC000807991768 1004734030 /nfs/dbraw/zinc/73/40/30/1004734030.db2.gz SOFMGQMWPPVGLW-UHFFFAOYSA-N -1 3 359.273 2.719 20 30 FFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC001195418875 1004951710 /nfs/dbraw/zinc/95/17/10/1004951710.db2.gz ZLSLZYZNCZYOLK-UHFFFAOYSA-N -1 3 365.333 2.651 20 30 FFEDHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000776274346 1005340856 /nfs/dbraw/zinc/34/08/56/1005340856.db2.gz NJVMPOUGIJKJAR-NEPJUHHUSA-N -1 3 356.353 2.826 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCCc2ccccc21 ZINC000776279389 1005345246 /nfs/dbraw/zinc/34/52/46/1005345246.db2.gz IRPSTVDJCQOQCJ-CYBMUJFWSA-N -1 3 350.374 2.789 20 30 FFEDHM C=CCC1(C(=O)N2C[C@H]3CCN(C(=O)c4ccccc4[O-])C[C@H]32)CCC1 ZINC001489669595 1005535169 /nfs/dbraw/zinc/53/51/69/1005535169.db2.gz HPGQDTJTJKTQTL-NVXWUHKLSA-N -1 3 354.450 2.812 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1C ZINC001187994121 1006357399 /nfs/dbraw/zinc/35/73/99/1006357399.db2.gz FPJSLAFHWILUPK-UHFFFAOYSA-N -1 3 362.517 2.896 20 30 FFEDHM CCO[C@H]1C[C@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000130228110 1006522221 /nfs/dbraw/zinc/52/22/21/1006522221.db2.gz GEBQPOMFJUKIHE-IRXDYDNUSA-N -1 3 358.438 2.687 20 30 FFEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1cc(C2CC2)n[nH]1 ZINC001188398561 1006545764 /nfs/dbraw/zinc/54/57/64/1006545764.db2.gz OTOVPTRRKALELO-UHFFFAOYSA-N -1 3 354.288 2.752 20 30 FFEDHM C[C@@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)c2cc([O-])cc(C#N)c2)C1=O ZINC000815234206 1006547574 /nfs/dbraw/zinc/54/75/74/1006547574.db2.gz YGJSYOTUWBPYJY-KPZWWZAWSA-N -1 3 368.364 2.922 20 30 FFEDHM N#Cc1ccc(I)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC001188615189 1006629228 /nfs/dbraw/zinc/62/92/28/1006629228.db2.gz JQGXWJLFKBXLSS-UHFFFAOYSA-N -1 3 374.159 2.557 20 30 FFEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152459176 1032170512 /nfs/dbraw/zinc/17/05/12/1032170512.db2.gz APBUOOBUGQYPHN-GFCCVEGCSA-N -1 3 350.374 2.877 20 30 FFEDHM O=C(c1cccc2c1[N-]C(=O)C2=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001152457720 1032171485 /nfs/dbraw/zinc/17/14/85/1032171485.db2.gz YMKAOZKMPKLBSO-UHFFFAOYSA-N -1 3 358.397 2.725 20 30 FFEDHM C[Si](C)(C)C#Cc1ccc(C(=O)N=c2nc3[nH][n-]cc-3c(Cl)n2)cc1 ZINC001189161457 1006932627 /nfs/dbraw/zinc/93/26/27/1006932627.db2.gz FRPXMIVHMOPYPK-UHFFFAOYSA-N -1 3 369.888 2.861 20 30 FFEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1 ZINC001189316621 1007019135 /nfs/dbraw/zinc/01/91/35/1007019135.db2.gz RKJQZUVGNDVWEY-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000816758381 1007194525 /nfs/dbraw/zinc/19/45/25/1007194525.db2.gz ODZYYDAFSYNXDX-MRXNPFEDSA-N -1 3 372.808 2.681 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)ncc2F)c1 ZINC001190618019 1007704540 /nfs/dbraw/zinc/70/45/40/1007704540.db2.gz YJRZPVICOTZFJL-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCOc3cc(F)cc(F)c32)c1 ZINC001190669918 1007726083 /nfs/dbraw/zinc/72/60/83/1007726083.db2.gz BETNZEYFGCDCMP-ZDUSSCGKSA-N -1 3 368.336 2.778 20 30 FFEDHM C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183605 1009271545 /nfs/dbraw/zinc/27/15/45/1009271545.db2.gz VLYGBCBIMZELKL-QMMMGPOBSA-N -1 3 367.306 2.743 20 30 FFEDHM C=CCN1CC[C@]2(CCN(C(=O)c3ccc(C(C)(C)C)cc3[O-])C2)C1=O ZINC001274149435 1009464451 /nfs/dbraw/zinc/46/44/51/1009464451.db2.gz AEZHRRTYCRWOEI-OAQYLSRUSA-N -1 3 356.466 2.940 20 30 FFEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001274202750 1009590921 /nfs/dbraw/zinc/59/09/21/1009590921.db2.gz FZVMFAYXTPJCFA-HUUCEWRRSA-N -1 3 368.355 2.803 20 30 FFEDHM C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2c(F)ccc([O-])c2F)C1=O ZINC000794483607 1010111967 /nfs/dbraw/zinc/11/19/67/1010111967.db2.gz QRVPMDQMBRTSQV-IBGZPJMESA-N -1 3 373.359 2.948 20 30 FFEDHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2)CCO1 ZINC000794588888 1010379510 /nfs/dbraw/zinc/37/95/10/1010379510.db2.gz ADSLPXJBQHBJNI-HNNXBMFYSA-N -1 3 371.462 2.779 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(OCC(F)(F)F)cn1 ZINC000774045047 1010436452 /nfs/dbraw/zinc/43/64/52/1010436452.db2.gz WWGMOKCQZLPIKF-CYBMUJFWSA-N -1 3 363.295 2.984 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2nc(C(F)(F)F)n3c2CCCC3)c1[O-] ZINC000864348349 1010453897 /nfs/dbraw/zinc/45/38/97/1010453897.db2.gz JQWWRAZTJDHSGN-YXSASFKJSA-N -1 3 368.359 2.759 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN2C(=O)c2cc(C(F)(F)F)ccc2[O-])C1=O ZINC001274551115 1011504535 /nfs/dbraw/zinc/50/45/35/1011504535.db2.gz HONQKPDFYVOQPP-KRWDZBQOSA-N -1 3 368.355 2.804 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2OC[C@@H]1F ZINC000928090911 1018792816 /nfs/dbraw/zinc/79/28/16/1018792816.db2.gz VIUQCEASMGXYQP-QFBILLFUSA-N -1 3 369.396 2.796 20 30 FFEDHM CNS(=O)(=O)c1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC000901371086 1019012886 /nfs/dbraw/zinc/01/28/86/1019012886.db2.gz REAQQPKJNUUXRQ-UHFFFAOYSA-N -1 3 370.430 2.780 20 30 FFEDHM COc1ccc(N2C[C@@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC000901375720 1019015887 /nfs/dbraw/zinc/01/58/87/1019015887.db2.gz LAYDRODYJALGOZ-AWEZNQCLSA-N -1 3 358.369 2.605 20 30 FFEDHM CCOC(=O)[C@H](CC(C)C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000801818850 1019415857 /nfs/dbraw/zinc/41/58/57/1019415857.db2.gz XGIAMZQMIOHMEF-INIZCTEOSA-N -1 3 362.426 2.729 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000726319953 1020452800 /nfs/dbraw/zinc/45/28/00/1020452800.db2.gz QMWQFWNLSHVZOJ-AWEZNQCLSA-N -1 3 369.333 2.573 20 30 FFEDHM Cc1nc(C)c(CCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)c(=O)[n-]1 ZINC000900669018 1020574249 /nfs/dbraw/zinc/57/42/49/1020574249.db2.gz FJNQJQKDUMGDEQ-UHFFFAOYSA-N -1 3 352.438 2.741 20 30 FFEDHM O=C(C[C@@H]1CCCC1(F)F)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000900680062 1020580169 /nfs/dbraw/zinc/58/01/69/1020580169.db2.gz WVMLNFDGUQQVNS-LBPRGKRZSA-N -1 3 366.364 2.716 20 30 FFEDHM C#CCC1(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCCCC1 ZINC001116751249 1021393524 /nfs/dbraw/zinc/39/35/24/1021393524.db2.gz DFNJZDFBVLCSTO-UHFFFAOYSA-N -1 3 366.458 2.787 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)c1cccc(C#N)c1 ZINC000751650712 1022894621 /nfs/dbraw/zinc/89/46/21/1022894621.db2.gz BXYAAHDGEDRQKN-KRWDZBQOSA-N -1 3 365.345 2.921 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)c1cccc(C#N)c1 ZINC000751650712 1022894633 /nfs/dbraw/zinc/89/46/33/1022894633.db2.gz BXYAAHDGEDRQKN-KRWDZBQOSA-N -1 3 365.345 2.921 20 30 FFEDHM Cn1cc(Br)cc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001122506172 1023309212 /nfs/dbraw/zinc/30/92/12/1023309212.db2.gz IPZIGYSZGUEZND-NSHDSACASA-N -1 3 370.210 2.803 20 30 FFEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N1CCO[C@H](C#N)C1 ZINC001121586012 1023865854 /nfs/dbraw/zinc/86/58/54/1023865854.db2.gz MQRRVQAOINOSNO-MRXNPFEDSA-N -1 3 365.437 2.684 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(C)=C(Br)C1 ZINC001121652608 1023905723 /nfs/dbraw/zinc/90/57/23/1023905723.db2.gz VLAKLDITOLACQS-UHFFFAOYSA-N -1 3 366.219 2.704 20 30 FFEDHM C=CC[C@H](C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)c1ccccc1 ZINC001123961386 1024181253 /nfs/dbraw/zinc/18/12/53/1024181253.db2.gz VOKITDYXIDTTIF-SFHVURJKSA-N -1 3 366.465 2.936 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC(C)(OC)C3)n2CCOC)c1[O-] ZINC001122193247 1024421264 /nfs/dbraw/zinc/42/12/64/1024421264.db2.gz QOWLZGAMXFTAIO-UHFFFAOYSA-N -1 3 372.469 2.641 20 30 FFEDHM Cc1nc(-c2ncccn2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000193376724 1024496058 /nfs/dbraw/zinc/49/60/58/1024496058.db2.gz QUZQQWZREFUCFS-ZDUSSCGKSA-N -1 3 363.402 2.870 20 30 FFEDHM C#CCOc1ccc([C@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000759329503 1024564217 /nfs/dbraw/zinc/56/42/17/1024564217.db2.gz IGPHMXFYSOXVDO-AWEZNQCLSA-N -1 3 373.430 2.988 20 30 FFEDHM CC(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1[O-] ZINC000839604272 1026754725 /nfs/dbraw/zinc/75/47/25/1026754725.db2.gz CAMCUJMBEYDTAW-UHFFFAOYSA-N -1 3 363.417 2.865 20 30 FFEDHM CCCCOc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1OCCCC ZINC001159325066 1027353448 /nfs/dbraw/zinc/35/34/48/1027353448.db2.gz QFLGTBUVIXPTPO-OAHLLOKOSA-N -1 3 364.442 2.764 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC001159642534 1027453906 /nfs/dbraw/zinc/45/39/06/1027453906.db2.gz YFFBWIBREXFVOP-SZGZABIGSA-N -1 3 360.410 2.924 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC(C)(C)CC(=O)N2CCCC2)n1 ZINC001160288124 1027659626 /nfs/dbraw/zinc/65/96/26/1027659626.db2.gz QPDNHOAVBGZBEW-RQZCQDPDSA-N -1 3 371.894 2.863 20 30 FFEDHM N#CC1(CNC(=O)c2c[n-]c3cc(Br)ccc3c2=O)CCC1 ZINC001153877830 1028040978 /nfs/dbraw/zinc/04/09/78/1028040978.db2.gz IEWZYMISPLQIKN-UHFFFAOYSA-N -1 3 360.211 2.714 20 30 FFEDHM CC(C)C[C@@H](C#N)NC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153882025 1028044023 /nfs/dbraw/zinc/04/40/23/1028044023.db2.gz XRELPWUGOKXCFD-NSHDSACASA-N -1 3 362.227 2.959 20 30 FFEDHM Cc1ccc(C)c(CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)c1 ZINC001161802460 1028319142 /nfs/dbraw/zinc/31/91/42/1028319142.db2.gz WZFWVCUBOUNTQS-UHFFFAOYSA-N -1 3 366.417 2.750 20 30 FFEDHM O=C(CN1C(=S)N=NC1c1cccs1)N([O-])Cc1ccc(F)cc1 ZINC001161842461 1028330473 /nfs/dbraw/zinc/33/04/73/1028330473.db2.gz FOSXPSGQRORIER-UHFFFAOYSA-N -1 3 364.427 2.852 20 30 FFEDHM COc1cc2c(cc1C)C[C@H](NC(=O)c1cc(=O)c3cc(C#N)ccc3[n-]1)C2 ZINC001154559911 1028355480 /nfs/dbraw/zinc/35/54/80/1028355480.db2.gz VLYBWYWVKYXWJK-INIZCTEOSA-N -1 3 373.412 2.614 20 30 FFEDHM Cc1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc(N(C)C)n1 ZINC001155909175 1028970386 /nfs/dbraw/zinc/97/03/86/1028970386.db2.gz JQEYKLKMRMKHFT-UHFFFAOYSA-N -1 3 355.320 2.998 20 30 FFEDHM CCOC(=O)c1ccnnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163764860 1029052214 /nfs/dbraw/zinc/05/22/14/1029052214.db2.gz BRNDQRYWZFVTIB-UHFFFAOYSA-N -1 3 370.287 2.800 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(OCC#N)c1 ZINC000841342494 1030213528 /nfs/dbraw/zinc/21/35/28/1030213528.db2.gz GWBRBTCHAMVFPF-UHFFFAOYSA-N -1 3 351.362 2.716 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cn2c(n1)CCC2 ZINC000842685177 1030899034 /nfs/dbraw/zinc/89/90/34/1030899034.db2.gz AZBFFMRWMUPSFA-LLVKDONJSA-N -1 3 372.812 2.761 20 30 FFEDHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(F)cc(C#N)c1 ZINC001151648236 1032003019 /nfs/dbraw/zinc/00/30/19/1032003019.db2.gz NXSYBQBBHPYZDG-UHFFFAOYSA-N -1 3 363.352 2.745 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)[n-]n1 ZINC001137978323 1033477906 /nfs/dbraw/zinc/47/79/06/1033477906.db2.gz FLGKVTYVYUILKK-UHFFFAOYSA-N -1 3 373.438 2.509 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)n[n-]1 ZINC001137978323 1033477914 /nfs/dbraw/zinc/47/79/14/1033477914.db2.gz FLGKVTYVYUILKK-UHFFFAOYSA-N -1 3 373.438 2.509 20 30 FFEDHM CS(=O)(=O)C[C@@H](O/C(=N\[O-])c1ccccn1)c1ccccc1Cl ZINC001223976613 1033665474 /nfs/dbraw/zinc/66/54/74/1033665474.db2.gz VZLJTXPAZZCWQK-QFVIEVDGSA-N -1 3 354.815 2.673 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@@H](O/C(=N\[O-])c2ccccn2)[C@H](F)C1 ZINC001223978739 1033669468 /nfs/dbraw/zinc/66/94/68/1033669468.db2.gz ZDXVPMSOMXLBQX-AZCQJRNUSA-N -1 3 353.394 2.972 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](O/C(=N\[O-])c2ccccn2)CC1 ZINC001223978588 1033670154 /nfs/dbraw/zinc/67/01/54/1033670154.db2.gz VJZASWKYWAXLSH-BGLYEWQXSA-N -1 3 353.394 2.972 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](O/C(=N\[O-])c2ccccn2)[C@@H](F)CC1 ZINC001223978590 1033670308 /nfs/dbraw/zinc/67/03/08/1033670308.db2.gz VJZASWKYWAXLSH-VJJRLMPCSA-N -1 3 353.394 2.972 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c(=O)[n-]1 ZINC000831112760 1033951636 /nfs/dbraw/zinc/95/16/36/1033951636.db2.gz NNXVKRPULAGJAX-HNNXBMFYSA-N -1 3 364.327 2.633 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)[n-]1 ZINC001225467372 1034265583 /nfs/dbraw/zinc/26/55/83/1034265583.db2.gz BQFCYJLTSGUOAQ-XNRPHZJLSA-N -1 3 359.426 2.992 20 30 FFEDHM C=CCN1C(=O)C[C@@]2(CCCN(Cc3cc(Cl)c([O-])cc3F)C2)C1=O ZINC001277057509 1034327756 /nfs/dbraw/zinc/32/77/56/1034327756.db2.gz SPUNJQSVNRQEER-GOSISDBHSA-N -1 3 366.820 2.712 20 30 FFEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001277096695 1034510094 /nfs/dbraw/zinc/51/00/94/1034510094.db2.gz ACINKGKRIWWFPQ-AWEZNQCLSA-N -1 3 363.408 2.692 20 30 FFEDHM COc1cc(O[C@H]2C=CC(=O)C2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227641063 1035652171 /nfs/dbraw/zinc/65/21/71/1035652171.db2.gz JGIKELBKAXVYKB-JTQLQIEISA-N -1 3 354.314 2.642 20 30 FFEDHM CC[C@@H](C#CC(=O)OC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940888 1035821720 /nfs/dbraw/zinc/82/17/20/1035821720.db2.gz PICFLHXYSKIATM-AWEZNQCLSA-N -1 3 354.358 2.663 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2[n-]c(=O)nc3cc(Cl)ccc32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001227989758 1035854721 /nfs/dbraw/zinc/85/47/21/1035854721.db2.gz VVTAUTQHUGSNOR-PWNZVWSESA-N -1 3 364.785 2.799 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cc(C#N)ccc1[O-])[C@H]2C ZINC001232677946 1035936753 /nfs/dbraw/zinc/93/67/53/1035936753.db2.gz SDOTZYNXSZJMMV-HNNXBMFYSA-N -1 3 353.470 2.877 20 30 FFEDHM CN1CCO[C@@H](COc2ccccc2N=CC=Nc2ccccc2[O-])C1=O ZINC001228127422 1035948631 /nfs/dbraw/zinc/94/86/31/1035948631.db2.gz RKSFROBOMRTCBC-IBGZPJMESA-N -1 3 367.405 2.733 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2nc3cc(C)c([N+](=O)[O-])cc3[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228677085 1036249285 /nfs/dbraw/zinc/24/92/85/1036249285.db2.gz NJVDULDNJSSKLZ-AJNGGQMLSA-N -1 3 361.354 2.589 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2nc3cc([N+](=O)[O-])c(C)cc3[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228677085 1036249300 /nfs/dbraw/zinc/24/93/00/1036249300.db2.gz NJVDULDNJSSKLZ-AJNGGQMLSA-N -1 3 361.354 2.589 20 30 FFEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1ncc(Br)cc1[O-] ZINC001228956816 1036430370 /nfs/dbraw/zinc/43/03/70/1036430370.db2.gz RALCUKVNZVQBGJ-GFCCVEGCSA-N -1 3 372.291 2.741 20 30 FFEDHM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802097 1036768926 /nfs/dbraw/zinc/76/89/26/1036768926.db2.gz GKWYJAXGIFOKKA-RMRYNHRJSA-N -1 3 355.431 2.727 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001233801473 1036769254 /nfs/dbraw/zinc/76/92/54/1036769254.db2.gz AMLPNOWUCQDEKT-OGUWASHFSA-N -1 3 360.322 2.629 20 30 FFEDHM N#Cc1ccc([O-])c(CN2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277849929 1037003657 /nfs/dbraw/zinc/00/36/57/1037003657.db2.gz JSKRKZXDMGKAAL-KRWDZBQOSA-N -1 3 367.371 2.783 20 30 FFEDHM CN1CC[C@@H](Oc2cc(/C=C3\COc4cc([O-])ccc4C3=O)ccc2O)C1 ZINC001234716285 1037152011 /nfs/dbraw/zinc/15/20/11/1037152011.db2.gz DLRWVTPFDHPJEZ-FCONWMNKSA-N -1 3 367.401 2.839 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2[n-]c(=O)nc3cccc(F)c32)[C@H](C#N)C1 ZINC001231077022 1037458182 /nfs/dbraw/zinc/45/81/82/1037458182.db2.gz RFXACDWGAAHMJJ-MFKMUULPSA-N -1 3 374.372 2.612 20 30 FFEDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccccc3C#N)C2)n1 ZINC001231262800 1037515363 /nfs/dbraw/zinc/51/53/63/1037515363.db2.gz HDWMVSMXYQPZTB-OAHLLOKOSA-N -1 3 354.366 2.529 20 30 FFEDHM C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562981 1037687109 /nfs/dbraw/zinc/68/71/09/1037687109.db2.gz KXIVMKGKPYUXRZ-UYAOXDASSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562981 1037687115 /nfs/dbraw/zinc/68/71/15/1037687115.db2.gz KXIVMKGKPYUXRZ-UYAOXDASSA-N -1 3 361.438 2.664 20 30 FFEDHM N#CCCCN1CCC2(CCN(Cc3ccc(F)c([O-])c3F)CC2)C1=O ZINC001277992528 1038170641 /nfs/dbraw/zinc/17/06/41/1038170641.db2.gz JLBWHGYDODSQGD-UHFFFAOYSA-N -1 3 363.408 2.789 20 30 FFEDHM C=C[C@@H]1C[C@]1([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OCC ZINC001257293353 1038762197 /nfs/dbraw/zinc/76/21/97/1038762197.db2.gz LYEFHQOKBMQFHK-YMTOWFKASA-N -1 3 364.250 2.780 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)cc1Cl ZINC001258126194 1039202683 /nfs/dbraw/zinc/20/26/83/1039202683.db2.gz FBWGPIBWSUSQJP-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(F)cc1F ZINC001252510755 1039566785 /nfs/dbraw/zinc/56/67/85/1039566785.db2.gz DJMDROLVVWHRSB-UHFFFAOYSA-N -1 3 366.345 2.618 20 30 FFEDHM N#CCc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1F ZINC001259371271 1039950644 /nfs/dbraw/zinc/95/06/44/1039950644.db2.gz MJCLAXKLDVWQSF-UHFFFAOYSA-N -1 3 356.382 2.878 20 30 FFEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@@H](C)CC ZINC001259502872 1040069201 /nfs/dbraw/zinc/06/92/01/1040069201.db2.gz WCJFCAKQIPQGKU-XPTSAGLGSA-N -1 3 365.373 2.526 20 30 FFEDHM CCOc1cc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc(C(=O)OC)c1 ZINC001260045001 1040374266 /nfs/dbraw/zinc/37/42/66/1040374266.db2.gz VVGDGDDIFQZCMM-UHFFFAOYSA-N -1 3 374.418 2.685 20 30 FFEDHM N#Cc1cc(Br)ccc1-c1noc(-c2ccc([O-])c(=O)[nH]2)n1 ZINC001214536035 1041472992 /nfs/dbraw/zinc/47/29/92/1041472992.db2.gz UJBCPRCYKVCCPY-UHFFFAOYSA-N -1 3 359.139 2.844 20 30 FFEDHM Cc1cc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)ccc1C#N ZINC001215447956 1041785386 /nfs/dbraw/zinc/78/53/86/1041785386.db2.gz LVAKVSOXXWDVIZ-UHFFFAOYSA-N -1 3 354.391 2.955 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001276735442 1041963022 /nfs/dbraw/zinc/96/30/22/1041963022.db2.gz URMMORUCWQJDIU-AWEZNQCLSA-N -1 3 350.409 2.965 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN2Cc2cccc(C(F)(F)F)c2[O-])C1=O ZINC001276743822 1042066699 /nfs/dbraw/zinc/06/66/99/1042066699.db2.gz GFAUXNINAQKLSE-KRWDZBQOSA-N -1 3 352.356 2.611 20 30 FFEDHM C#CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(C)C)C1 ZINC001263419295 1042297123 /nfs/dbraw/zinc/29/71/23/1042297123.db2.gz GYFYIGBHQJFXRJ-HNNXBMFYSA-N -1 3 354.458 2.645 20 30 FFEDHM C#CCN(CC1CC1)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001320819773 1045474574 /nfs/dbraw/zinc/47/45/74/1045474574.db2.gz MSQSBULYWVCHKV-UHFFFAOYSA-N -1 3 364.323 2.912 20 30 FFEDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1ccc(C#N)cc1OC(F)F ZINC001323630305 1045664515 /nfs/dbraw/zinc/66/45/15/1045664515.db2.gz ALFWHOSBAADPPZ-UHFFFAOYSA-N -1 3 363.320 2.640 20 30 FFEDHM O=S1(=O)[N-]/C(=N/CCN2CCC3(CCCCC3)CC2)c2ccccc21 ZINC001321663623 1045746690 /nfs/dbraw/zinc/74/66/90/1045746690.db2.gz WDEDDMJVCPKLRG-UHFFFAOYSA-N -1 3 361.511 2.771 20 30 FFEDHM C#CCN(CC1CC1)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC001325513217 1046535408 /nfs/dbraw/zinc/53/54/08/1046535408.db2.gz RUVVCMWGJVMCHB-LBPRGKRZSA-N -1 3 373.478 2.876 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCC(F)F ZINC001332321743 1048346663 /nfs/dbraw/zinc/34/66/63/1048346663.db2.gz CCTWUIMMRQQKEW-UHFFFAOYSA-N -1 3 353.188 2.644 20 30 FFEDHM N#CC(=C([O-])c1ccc(O[C@H]2CCOC2)cc1)c1nc(N)c2ccccc2n1 ZINC001341803552 1050415904 /nfs/dbraw/zinc/41/59/04/1050415904.db2.gz AIIWNLYUKGVYGK-DOTOQJQBSA-N -1 3 374.400 2.870 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cn(C)nc1OC ZINC001342037849 1050635377 /nfs/dbraw/zinc/63/53/77/1050635377.db2.gz VVROQOZPFNJVHN-AWEZNQCLSA-N -1 3 354.410 2.515 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1scnc1C ZINC001342533676 1051138083 /nfs/dbraw/zinc/13/80/83/1051138083.db2.gz XUJKEEXDUDNMKB-UHFFFAOYSA-N -1 3 364.866 2.694 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1scnc1C ZINC001342533676 1051138088 /nfs/dbraw/zinc/13/80/88/1051138088.db2.gz XUJKEEXDUDNMKB-UHFFFAOYSA-N -1 3 364.866 2.694 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@H]3COCCO3)n2CC)c1[O-] ZINC001341309487 1051664354 /nfs/dbraw/zinc/66/43/54/1051664354.db2.gz IMXPCCDDPTUILD-INIZCTEOSA-N -1 3 372.469 2.641 20 30 FFEDHM C=CCN(CCc1ccccc1)c1nnc(-c2c[n-]oc2=O)n1CCOC ZINC001341324030 1051679949 /nfs/dbraw/zinc/67/99/49/1051679949.db2.gz VVWVTFFGPLDUJX-UHFFFAOYSA-N -1 3 369.425 2.520 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn2c(n1)CCCC2 ZINC001343470931 1052251789 /nfs/dbraw/zinc/25/17/89/1052251789.db2.gz RVBHGTCUKOZQLE-LLVKDONJSA-N -1 3 360.776 2.973 20 30 FFEDHM Cc1cnc2c(cnn2CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC001344013813 1052545812 /nfs/dbraw/zinc/54/58/12/1052545812.db2.gz UQNPHWOPOFWOAH-QGZVFWFLSA-N -1 3 358.401 2.750 20 30 FFEDHM C=C1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2cccs2)CC1 ZINC001345959363 1052685076 /nfs/dbraw/zinc/68/50/76/1052685076.db2.gz BICDZRPRPGLPML-UHFFFAOYSA-N -1 3 361.862 2.983 20 30 FFEDHM C=C1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2cccs2)CC1 ZINC001345959363 1052685077 /nfs/dbraw/zinc/68/50/77/1052685077.db2.gz BICDZRPRPGLPML-UHFFFAOYSA-N -1 3 361.862 2.983 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001345994374 1052699436 /nfs/dbraw/zinc/69/94/36/1052699436.db2.gz PVVRCRCDFCUCRK-NXEZZACHSA-N -1 3 353.883 2.623 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001345994374 1052699438 /nfs/dbraw/zinc/69/94/38/1052699438.db2.gz PVVRCRCDFCUCRK-NXEZZACHSA-N -1 3 353.883 2.623 20 30 FFEDHM Cc1coc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1C ZINC001346087965 1052741292 /nfs/dbraw/zinc/74/12/92/1052741292.db2.gz NDEMLAAPUIQLRL-HNNXBMFYSA-N -1 3 353.378 2.559 20 30 FFEDHM C=CCO[C@H]1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC001336777081 1054218924 /nfs/dbraw/zinc/21/89/24/1054218924.db2.gz JADLRSOTJFINPN-NSHDSACASA-N -1 3 353.444 2.907 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C[C@@H]1CCCO1 ZINC001347778026 1054308135 /nfs/dbraw/zinc/30/81/35/1054308135.db2.gz CWOQLVZDYSINBS-HNNXBMFYSA-N -1 3 372.473 2.721 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001351777695 1054994868 /nfs/dbraw/zinc/99/48/68/1054994868.db2.gz MHOSVDXCEKIIBA-HNNXBMFYSA-N -1 3 351.410 2.894 20 30 FFEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cccnn3)s2)cc1 ZINC001349864575 1055506908 /nfs/dbraw/zinc/50/69/08/1055506908.db2.gz FTNPGHXURXQTTI-UHFFFAOYSA-N -1 3 354.420 2.744 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001520367579 1059641116 /nfs/dbraw/zinc/64/11/16/1059641116.db2.gz HIGWQPQBXWODFV-AWEZNQCLSA-N -1 3 366.400 2.760 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCC[C@@H](SCC)C1 ZINC001520368105 1059642887 /nfs/dbraw/zinc/64/28/87/1059642887.db2.gz PSYJREYNKGRONF-CYBMUJFWSA-N -1 3 360.487 2.739 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(C#CC(=O)[N-]Oc2ccccc2F)CC1 ZINC001455478089 1059796191 /nfs/dbraw/zinc/79/61/91/1059796191.db2.gz ASCNCYDYESHLKL-UHFFFAOYSA-N -1 3 362.401 2.886 20 30 FFEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCCOCC1 ZINC001520614589 1059874511 /nfs/dbraw/zinc/87/45/11/1059874511.db2.gz AHGCOPSUMPLNIF-UHFFFAOYSA-N -1 3 362.861 2.835 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)CCCCOc2cccc(C#N)c2)[n-]n1 ZINC000543762732 1061076105 /nfs/dbraw/zinc/07/61/05/1061076105.db2.gz WAOABCPFACYLBR-UHFFFAOYSA-N -1 3 356.382 2.646 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)CCCCOc2cccc(C#N)c2)n[n-]1 ZINC000543762732 1061076111 /nfs/dbraw/zinc/07/61/11/1061076111.db2.gz WAOABCPFACYLBR-UHFFFAOYSA-N -1 3 356.382 2.646 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc(C(F)(F)F)c1 ZINC001475643362 1061180050 /nfs/dbraw/zinc/18/00/50/1061180050.db2.gz AEYPBQSUOZIEAH-ZDUSSCGKSA-N -1 3 365.373 2.805 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2ccsc2C#N)c2ccccc2n1 ZINC001463193395 1061981055 /nfs/dbraw/zinc/98/10/55/1061981055.db2.gz LDTPFYUEIOAGAQ-UHFFFAOYSA-N -1 3 359.432 2.655 20 30 FFEDHM Cc1c(C#N)c([N-]C(=O)c2cc(COc3ccccc3F)on2)nn1C ZINC001529920725 1062434328 /nfs/dbraw/zinc/43/43/28/1062434328.db2.gz VYWHANUORSETES-UHFFFAOYSA-N -1 3 355.329 2.559 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001523776977 1062618080 /nfs/dbraw/zinc/61/80/80/1062618080.db2.gz HHZJXGKMGSYYDW-HNNXBMFYSA-N -1 3 372.473 2.577 20 30 FFEDHM Cc1nsc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c1C#N ZINC001523956336 1062669585 /nfs/dbraw/zinc/66/95/85/1062669585.db2.gz FPSINZDDMAIERR-UHFFFAOYSA-N -1 3 360.351 2.645 20 30 FFEDHM O=C(Nc1cc(Cl)ccc1OC(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC001466629903 1063500732 /nfs/dbraw/zinc/50/07/32/1063500732.db2.gz CSPMYASVDKYOAP-QMMMGPOBSA-N -1 3 367.711 2.740 20 30 FFEDHM COC(=O)CCc1ccc([O-])c(NC(=O)c2cc(F)c(C#N)c(F)c2)c1 ZINC001471839426 1064817439 /nfs/dbraw/zinc/81/74/39/1064817439.db2.gz HRTPZENPOOZHCT-UHFFFAOYSA-N -1 3 360.316 2.900 20 30 FFEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=CC(=O)c1ccc(C)cc1 ZINC001579429553 1078628321 /nfs/dbraw/zinc/62/83/21/1078628321.db2.gz DZIHVROUUMHAFW-MDZDMXLPSA-N -1 3 362.393 2.594 20 30 FFEDHM COc1cc(C#N)ccc1OC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001579890423 1078709396 /nfs/dbraw/zinc/70/93/96/1078709396.db2.gz QMZVCVYEZCQVEA-LBPRGKRZSA-N -1 3 363.377 2.531 20 30 FFEDHM COc1cc(C#N)ccc1OC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579890423 1078709399 /nfs/dbraw/zinc/70/93/99/1078709399.db2.gz QMZVCVYEZCQVEA-LBPRGKRZSA-N -1 3 363.377 2.531 20 30 FFEDHM Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC001581197136 1078933323 /nfs/dbraw/zinc/93/33/23/1078933323.db2.gz OPCDCFFYUIUFTI-ZDUSSCGKSA-N -1 3 361.409 2.607 20 30 FFEDHM Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC001581197136 1078933336 /nfs/dbraw/zinc/93/33/36/1078933336.db2.gz OPCDCFFYUIUFTI-ZDUSSCGKSA-N -1 3 361.409 2.607 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001581874348 1079010392 /nfs/dbraw/zinc/01/03/92/1079010392.db2.gz NPTFZIVPUOYPOU-AWEZNQCLSA-N -1 3 350.407 2.607 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCC)C2CCC2)ccc1F ZINC001556980738 1075795186 /nfs/dbraw/zinc/79/51/86/1075795186.db2.gz NNXIYRCBYJDAIB-INIZCTEOSA-N -1 3 368.474 2.989 20 30 FFEDHM Cc1ccc(CSc2nc(NC(=O)Cc3ccc(C#N)nc3)n[n-]2)cc1 ZINC001558793445 1076077967 /nfs/dbraw/zinc/07/79/67/1076077967.db2.gz YGRSHZLLQPNXFI-UHFFFAOYSA-N -1 3 364.434 2.853 20 30 FFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001561798709 1076425054 /nfs/dbraw/zinc/42/50/54/1076425054.db2.gz SYBPLRRVJBGIAJ-CQSZACIVSA-N -1 3 350.465 2.517 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CCC1CCCCC1)C(=O)OCC ZINC001561828201 1076429461 /nfs/dbraw/zinc/42/94/61/1076429461.db2.gz HDZWDIHNDQGTOL-CQSZACIVSA-N -1 3 351.896 2.951 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C2 ZINC001561857555 1076434791 /nfs/dbraw/zinc/43/47/91/1076434791.db2.gz XTSHJDKXDWIZBO-ZDUSSCGKSA-N -1 3 350.802 2.796 20 30 FFEDHM C=CC[C@H](C(=O)[O-])N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001573350625 1077678510 /nfs/dbraw/zinc/67/85/10/1077678510.db2.gz KTZPERBBBSWJBD-CQSZACIVSA-N -1 3 371.359 2.884 20 30 FFEDHM Brc1ccc(-c2nnn[n-]2)cc1N=NC1CO[C@@H](C2CC2)C1 ZINC001588321326 1079975982 /nfs/dbraw/zinc/97/59/82/1079975982.db2.gz XMVUFDOMBVZDLI-CYBMUJFWSA-N -1 3 363.219 2.596 20 30 FFEDHM Brc1ccc(-c2nn[n-]n2)cc1N=NC1CO[C@@H](C2CC2)C1 ZINC001588321326 1079975987 /nfs/dbraw/zinc/97/59/87/1079975987.db2.gz XMVUFDOMBVZDLI-CYBMUJFWSA-N -1 3 363.219 2.596 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588334146 1079986975 /nfs/dbraw/zinc/98/69/75/1079986975.db2.gz PIAYHGYIIWYUEH-LJQANCHMSA-N -1 3 374.448 2.643 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588334146 1079986982 /nfs/dbraw/zinc/98/69/82/1079986982.db2.gz PIAYHGYIIWYUEH-LJQANCHMSA-N -1 3 374.448 2.643 20 30 FFEDHM C#CCC[C@H](C)OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC001588336728 1079988661 /nfs/dbraw/zinc/98/86/61/1079988661.db2.gz DZICSMBJNKEJPY-ZDUSSCGKSA-N -1 3 366.377 2.997 20 30 FFEDHM C#CCC[C@H](C)OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC001588336728 1079988665 /nfs/dbraw/zinc/98/86/65/1079988665.db2.gz DZICSMBJNKEJPY-ZDUSSCGKSA-N -1 3 366.377 2.997 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588334221 1079988866 /nfs/dbraw/zinc/98/88/66/1079988866.db2.gz QYJRMCCXYXUKGZ-JXFKEZNVSA-N -1 3 373.460 2.796 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588334221 1079988872 /nfs/dbraw/zinc/98/88/72/1079988872.db2.gz QYJRMCCXYXUKGZ-JXFKEZNVSA-N -1 3 373.460 2.796 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588334195 1079989263 /nfs/dbraw/zinc/98/92/63/1079989263.db2.gz QHHVQGXKRTUBSL-BEFAXECRSA-N -1 3 374.448 2.862 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588334195 1079989268 /nfs/dbraw/zinc/98/92/68/1079989268.db2.gz QHHVQGXKRTUBSL-BEFAXECRSA-N -1 3 374.448 2.862 20 30 FFEDHM C#CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001588335217 1079989286 /nfs/dbraw/zinc/98/92/86/1079989286.db2.gz COVUEQJYEFGDKE-GFCCVEGCSA-N -1 3 363.381 2.563 20 30 FFEDHM C#CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001588335217 1079989289 /nfs/dbraw/zinc/98/92/89/1079989289.db2.gz COVUEQJYEFGDKE-GFCCVEGCSA-N -1 3 363.381 2.563 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@H](C)C[C@H]2C ZINC001588362770 1079993887 /nfs/dbraw/zinc/99/38/87/1079993887.db2.gz SGSQQZXFPSWXLS-GHMZBOCLSA-N -1 3 359.455 2.592 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@H](C)C[C@H]2C ZINC001588362770 1079993892 /nfs/dbraw/zinc/99/38/92/1079993892.db2.gz SGSQQZXFPSWXLS-GHMZBOCLSA-N -1 3 359.455 2.592 20 30 FFEDHM C#CCOc1cccc(NC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC001588363004 1079994275 /nfs/dbraw/zinc/99/42/75/1079994275.db2.gz DUMRQEVHJIDPFM-UHFFFAOYSA-N -1 3 359.389 2.549 20 30 FFEDHM C#CCOc1cccc(NC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001588363004 1079994279 /nfs/dbraw/zinc/99/42/79/1079994279.db2.gz DUMRQEVHJIDPFM-UHFFFAOYSA-N -1 3 359.389 2.549 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC001588365051 1079994902 /nfs/dbraw/zinc/99/49/02/1079994902.db2.gz NGZJVNORCCZUSY-IIDMSEBBSA-N -1 3 367.453 2.578 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC001588365051 1079994906 /nfs/dbraw/zinc/99/49/06/1079994906.db2.gz NGZJVNORCCZUSY-IIDMSEBBSA-N -1 3 367.453 2.578 20 30 FFEDHM C#Cc1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC001588374825 1079997784 /nfs/dbraw/zinc/99/77/84/1079997784.db2.gz PUGHYPKTNHANRU-UHFFFAOYSA-N -1 3 371.360 2.917 20 30 FFEDHM C#Cc1cccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC001588374825 1079997788 /nfs/dbraw/zinc/99/77/88/1079997788.db2.gz PUGHYPKTNHANRU-UHFFFAOYSA-N -1 3 371.360 2.917 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588392013 1080002960 /nfs/dbraw/zinc/00/29/60/1080002960.db2.gz UDGXFOHAJTWVAZ-KBPBESRZSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588392013 1080002967 /nfs/dbraw/zinc/00/29/67/1080002967.db2.gz UDGXFOHAJTWVAZ-KBPBESRZSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588392501 1080004979 /nfs/dbraw/zinc/00/49/79/1080004979.db2.gz BNSLQXCKAIECAF-ZDUSSCGKSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588392501 1080004986 /nfs/dbraw/zinc/00/49/86/1080004986.db2.gz BNSLQXCKAIECAF-ZDUSSCGKSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588392718 1080005714 /nfs/dbraw/zinc/00/57/14/1080005714.db2.gz HCZJFUPHKYTHDW-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588392718 1080005724 /nfs/dbraw/zinc/00/57/24/1080005724.db2.gz HCZJFUPHKYTHDW-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001588393916 1080007011 /nfs/dbraw/zinc/00/70/11/1080007011.db2.gz SUWWJRPNBSUMMC-JTQLQIEISA-N -1 3 363.491 2.541 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588402974 1080009819 /nfs/dbraw/zinc/00/98/19/1080009819.db2.gz RBZQFXMGRWIBOT-SHTZXODSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588402974 1080009824 /nfs/dbraw/zinc/00/98/24/1080009824.db2.gz RBZQFXMGRWIBOT-SHTZXODSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588412005 1080016356 /nfs/dbraw/zinc/01/63/56/1080016356.db2.gz OZVUUZRDKKTYPV-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588412005 1080016365 /nfs/dbraw/zinc/01/63/65/1080016365.db2.gz OZVUUZRDKKTYPV-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](C)CCCNc1snc(C)c1-c1nnn[n-]1 ZINC001588415226 1080017765 /nfs/dbraw/zinc/01/77/65/1080017765.db2.gz GHRPYAYETGWIRQ-LLVKDONJSA-N -1 3 363.491 2.685 20 30 FFEDHM C=C(C)CN(CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC001588425932 1080023295 /nfs/dbraw/zinc/02/32/95/1080023295.db2.gz BLTRYLAASFFFKS-NSHDSACASA-N -1 3 360.487 2.642 20 30 FFEDHM C=C(C)CN(CC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001588426023 1080023349 /nfs/dbraw/zinc/02/33/49/1080023349.db2.gz HAPBDTSPTUKTCJ-UHFFFAOYSA-N -1 3 358.471 2.899 20 30 FFEDHM C=C(C)CONC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001588429377 1080026092 /nfs/dbraw/zinc/02/60/92/1080026092.db2.gz JRMXVEPFZDEUJD-UHFFFAOYSA-N -1 3 351.366 2.897 20 30 FFEDHM C=C(C)CONC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001588429377 1080026104 /nfs/dbraw/zinc/02/61/04/1080026104.db2.gz JRMXVEPFZDEUJD-UHFFFAOYSA-N -1 3 351.366 2.897 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]1C ZINC001588437439 1080026609 /nfs/dbraw/zinc/02/66/09/1080026609.db2.gz YYAZXVCEIDOMOS-ZDUSSCGKSA-N -1 3 350.430 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]1C ZINC001588437439 1080026618 /nfs/dbraw/zinc/02/66/18/1080026618.db2.gz YYAZXVCEIDOMOS-ZDUSSCGKSA-N -1 3 350.430 2.690 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588456236 1080032954 /nfs/dbraw/zinc/03/29/54/1080032954.db2.gz JWIRTIIVLVGUON-IYBDPMFKSA-N -1 3 355.467 2.810 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588456236 1080032965 /nfs/dbraw/zinc/03/29/65/1080032965.db2.gz JWIRTIIVLVGUON-IYBDPMFKSA-N -1 3 355.467 2.810 20 30 FFEDHM C=C1CCN(C(=O)N[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)CC1 ZINC001588462279 1080037417 /nfs/dbraw/zinc/03/74/17/1080037417.db2.gz ALYDHHNVRCMKLI-CYBMUJFWSA-N -1 3 366.347 2.832 20 30 FFEDHM C=C1CCN(C(=O)N[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)CC1 ZINC001588462279 1080037427 /nfs/dbraw/zinc/03/74/27/1080037427.db2.gz ALYDHHNVRCMKLI-CYBMUJFWSA-N -1 3 366.347 2.832 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC001588463056 1080037661 /nfs/dbraw/zinc/03/76/61/1080037661.db2.gz YFYLDZBLCNVYOM-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC001588463056 1080037667 /nfs/dbraw/zinc/03/76/67/1080037667.db2.gz YFYLDZBLCNVYOM-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=CC(C)(C)CCNC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588487316 1080050001 /nfs/dbraw/zinc/05/00/01/1080050001.db2.gz QBVCYHSEQGWPEA-CQSZACIVSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC(C)(C)CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001588486716 1080050655 /nfs/dbraw/zinc/05/06/55/1080050655.db2.gz JKDBEQORURYKOT-UHFFFAOYSA-N -1 3 358.402 2.976 20 30 FFEDHM C=CC(C)(C)CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001588486716 1080050666 /nfs/dbraw/zinc/05/06/66/1080050666.db2.gz JKDBEQORURYKOT-UHFFFAOYSA-N -1 3 358.402 2.976 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588489031 1080051474 /nfs/dbraw/zinc/05/14/74/1080051474.db2.gz VDJIWMSFAHQPQZ-BEFAXECRSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588489031 1080051484 /nfs/dbraw/zinc/05/14/84/1080051484.db2.gz VDJIWMSFAHQPQZ-BEFAXECRSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588519184 1080071545 /nfs/dbraw/zinc/07/15/45/1080071545.db2.gz UYISHPQMJFDVJU-LIRRHRJNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588519184 1080071554 /nfs/dbraw/zinc/07/15/54/1080071554.db2.gz UYISHPQMJFDVJU-LIRRHRJNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588532647 1080080767 /nfs/dbraw/zinc/08/07/67/1080080767.db2.gz BPOWGJFSBAEQTI-CYBMUJFWSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588533019 1080084349 /nfs/dbraw/zinc/08/43/49/1080084349.db2.gz LWBRJWKYVRRPOE-ZDUSSCGKSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588533019 1080084356 /nfs/dbraw/zinc/08/43/56/1080084356.db2.gz LWBRJWKYVRRPOE-ZDUSSCGKSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001588539393 1080086026 /nfs/dbraw/zinc/08/60/26/1080086026.db2.gz JMHPDGPUWMRSKL-UHFFFAOYSA-N -1 3 358.402 2.976 20 30 FFEDHM C=CCC(C)(C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001588539393 1080086030 /nfs/dbraw/zinc/08/60/30/1080086030.db2.gz JMHPDGPUWMRSKL-UHFFFAOYSA-N -1 3 358.402 2.976 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588541690 1080087556 /nfs/dbraw/zinc/08/75/56/1080087556.db2.gz QKVCCUNGUJHSEZ-OAHLLOKOSA-N -1 3 370.457 2.774 20 30 FFEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001588540776 1080087726 /nfs/dbraw/zinc/08/77/26/1080087726.db2.gz FNJWRDHVBWAARW-NSHDSACASA-N -1 3 373.417 2.911 20 30 FFEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001588540776 1080087731 /nfs/dbraw/zinc/08/77/31/1080087731.db2.gz FNJWRDHVBWAARW-NSHDSACASA-N -1 3 373.417 2.911 20 30 FFEDHM C=CCC1(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCC1 ZINC001588556551 1080094867 /nfs/dbraw/zinc/09/48/67/1080094867.db2.gz NAEWUJAWSHUPPV-UHFFFAOYSA-N -1 3 357.370 2.955 20 30 FFEDHM C=CCC1(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCC1 ZINC001588556551 1080094873 /nfs/dbraw/zinc/09/48/73/1080094873.db2.gz NAEWUJAWSHUPPV-UHFFFAOYSA-N -1 3 357.370 2.955 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588560430 1080098567 /nfs/dbraw/zinc/09/85/67/1080098567.db2.gz QNDPSXGFTZJNQJ-GUYCJALGSA-N -1 3 354.458 2.797 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588560430 1080098573 /nfs/dbraw/zinc/09/85/73/1080098573.db2.gz QNDPSXGFTZJNQJ-GUYCJALGSA-N -1 3 354.458 2.797 20 30 FFEDHM C=CCCC(C)(C)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588578227 1080106080 /nfs/dbraw/zinc/10/60/80/1080106080.db2.gz ZHBABRKOIQFLJZ-UHFFFAOYSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC(C)(C)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588578227 1080106084 /nfs/dbraw/zinc/10/60/84/1080106084.db2.gz ZHBABRKOIQFLJZ-UHFFFAOYSA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588588360 1080111304 /nfs/dbraw/zinc/11/13/04/1080111304.db2.gz LQROCOGWWDRNID-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588588360 1080111312 /nfs/dbraw/zinc/11/13/12/1080111312.db2.gz LQROCOGWWDRNID-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588587993 1080111666 /nfs/dbraw/zinc/11/16/66/1080111666.db2.gz BEPWEPUHCZSHQD-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588587993 1080111670 /nfs/dbraw/zinc/11/16/70/1080111670.db2.gz BEPWEPUHCZSHQD-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@](C)(C=C)CCOC ZINC001588639612 1080133166 /nfs/dbraw/zinc/13/31/66/1080133166.db2.gz VFKQNXIHEVKAAK-LJQANCHMSA-N -1 3 355.442 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@](C)(C=C)CCOC ZINC001588639612 1080133171 /nfs/dbraw/zinc/13/31/71/1080133171.db2.gz VFKQNXIHEVKAAK-LJQANCHMSA-N -1 3 355.442 2.610 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1cncc(C)c1 ZINC001588640344 1080133709 /nfs/dbraw/zinc/13/37/09/1080133709.db2.gz PLTUKIGJOKRNNK-UHFFFAOYSA-N -1 3 362.437 2.718 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1cncc(C)c1 ZINC001588640344 1080133711 /nfs/dbraw/zinc/13/37/11/1080133711.db2.gz PLTUKIGJOKRNNK-UHFFFAOYSA-N -1 3 362.437 2.718 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nc(Cl)cs1 ZINC001588648291 1080138572 /nfs/dbraw/zinc/13/85/72/1080138572.db2.gz MEUJRINQCMHATG-UHFFFAOYSA-N -1 3 360.830 2.805 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nc(Cl)cs1 ZINC001588648291 1080138574 /nfs/dbraw/zinc/13/85/74/1080138574.db2.gz MEUJRINQCMHATG-UHFFFAOYSA-N -1 3 360.830 2.805 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc(C(C)C)no1 ZINC001588649651 1080140005 /nfs/dbraw/zinc/14/00/05/1080140005.db2.gz XUFOBQBOPKZJEJ-UHFFFAOYSA-N -1 3 368.401 2.593 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc(C(C)C)no1 ZINC001588649651 1080140011 /nfs/dbraw/zinc/14/00/11/1080140011.db2.gz XUFOBQBOPKZJEJ-UHFFFAOYSA-N -1 3 368.401 2.593 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588653497 1080143163 /nfs/dbraw/zinc/14/31/63/1080143163.db2.gz JHRSEWBZZHXRNQ-UHFFFAOYSA-N -1 3 351.385 2.763 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588653497 1080143166 /nfs/dbraw/zinc/14/31/66/1080143166.db2.gz JHRSEWBZZHXRNQ-UHFFFAOYSA-N -1 3 351.385 2.763 20 30 FFEDHM C=CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588653281 1080143723 /nfs/dbraw/zinc/14/37/23/1080143723.db2.gz AZKZPAFDRWVHGU-HNNXBMFYSA-N -1 3 362.437 2.882 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC001588689423 1080156287 /nfs/dbraw/zinc/15/62/87/1080156287.db2.gz HAMZHCLVLYQVIZ-UHFFFAOYSA-N -1 3 366.377 2.667 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC001588689423 1080156294 /nfs/dbraw/zinc/15/62/94/1080156294.db2.gz HAMZHCLVLYQVIZ-UHFFFAOYSA-N -1 3 366.377 2.667 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)OC1CCCC1 ZINC001588697182 1080159035 /nfs/dbraw/zinc/15/90/35/1080159035.db2.gz SUAVHGFTVJPSHB-UHFFFAOYSA-N -1 3 366.429 2.622 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)OC1CCCC1 ZINC001588697182 1080159038 /nfs/dbraw/zinc/15/90/38/1080159038.db2.gz SUAVHGFTVJPSHB-UHFFFAOYSA-N -1 3 366.429 2.622 20 30 FFEDHM C=CCn1c([C@H](C)CC)nnc1N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588704592 1080161725 /nfs/dbraw/zinc/16/17/25/1080161725.db2.gz MQWXAIXGVPDJFX-LLVKDONJSA-N -1 3 358.475 2.856 20 30 FFEDHM C=CCn1c([C@H](C)CC)nnc1N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588704592 1080161730 /nfs/dbraw/zinc/16/17/30/1080161730.db2.gz MQWXAIXGVPDJFX-LLVKDONJSA-N -1 3 358.475 2.856 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588718282 1080168282 /nfs/dbraw/zinc/16/82/82/1080168282.db2.gz GEJILKWDPOVMEQ-OLZOCXBDSA-N -1 3 364.862 2.540 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588718282 1080168288 /nfs/dbraw/zinc/16/82/88/1080168288.db2.gz GEJILKWDPOVMEQ-OLZOCXBDSA-N -1 3 364.862 2.540 20 30 FFEDHM CC#CCCCC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588740456 1080177134 /nfs/dbraw/zinc/17/71/34/1080177134.db2.gz ODUACJZCJJJOTD-CQSZACIVSA-N -1 3 351.332 2.780 20 30 FFEDHM CC#CCCCC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588740456 1080177140 /nfs/dbraw/zinc/17/71/40/1080177140.db2.gz ODUACJZCJJJOTD-CQSZACIVSA-N -1 3 351.332 2.780 20 30 FFEDHM CC#CCCCC(=O)NC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC001588740300 1080177341 /nfs/dbraw/zinc/17/73/41/1080177341.db2.gz LGEHJMCRGXWIOT-MRXNPFEDSA-N -1 3 372.448 2.752 20 30 FFEDHM CC#CCCCC(=O)NC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC001588740300 1080177347 /nfs/dbraw/zinc/17/73/47/1080177347.db2.gz LGEHJMCRGXWIOT-MRXNPFEDSA-N -1 3 372.448 2.752 20 30 FFEDHM CC#CCCCC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588738420 1080177721 /nfs/dbraw/zinc/17/77/21/1080177721.db2.gz VHLQAHWBKXTOPG-CQSZACIVSA-N -1 3 370.432 2.602 20 30 FFEDHM CC#CCCCC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588738420 1080177723 /nfs/dbraw/zinc/17/77/23/1080177723.db2.gz VHLQAHWBKXTOPG-CQSZACIVSA-N -1 3 370.432 2.602 20 30 FFEDHM CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)c1ccccc1-c1nnn[n-]1 ZINC001588776625 1080190625 /nfs/dbraw/zinc/19/06/25/1080190625.db2.gz YEUYZAZMFYAFFC-NHYWBVRUSA-N -1 3 357.487 2.634 20 30 FFEDHM CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)c1ccccc1-c1nn[n-]n1 ZINC001588776625 1080190632 /nfs/dbraw/zinc/19/06/32/1080190632.db2.gz YEUYZAZMFYAFFC-NHYWBVRUSA-N -1 3 357.487 2.634 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC001588839373 1080214416 /nfs/dbraw/zinc/21/44/16/1080214416.db2.gz QHHRUWPWLZLHPR-UHFFFAOYSA-N -1 3 355.797 2.949 20 30 FFEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC001588901377 1080250414 /nfs/dbraw/zinc/25/04/14/1080250414.db2.gz JSPOLTMVCODLSN-UHFFFAOYSA-N -1 3 373.420 2.526 20 30 FFEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC001588901377 1080250424 /nfs/dbraw/zinc/25/04/24/1080250424.db2.gz JSPOLTMVCODLSN-UHFFFAOYSA-N -1 3 373.420 2.526 20 30 FFEDHM CC(C)(C#N)c1ccccc1CSCc1ncc(-c2nnn[n-]2)cn1 ZINC001589035970 1080317292 /nfs/dbraw/zinc/31/72/92/1080317292.db2.gz FSBKOZUYONVHDV-UHFFFAOYSA-N -1 3 351.439 2.891 20 30 FFEDHM CC(C)(C#N)c1ccccc1CSCc1ncc(-c2nn[n-]n2)cn1 ZINC001589035970 1080317295 /nfs/dbraw/zinc/31/72/95/1080317295.db2.gz FSBKOZUYONVHDV-UHFFFAOYSA-N -1 3 351.439 2.891 20 30 FFEDHM CC(C)C[C@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001589572267 1080611766 /nfs/dbraw/zinc/61/17/66/1080611766.db2.gz NOKMLMCVSIDAOM-AEFFLSMTSA-N -1 3 366.469 2.834 20 30 FFEDHM CC(C)CCC[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589596364 1080628549 /nfs/dbraw/zinc/62/85/49/1080628549.db2.gz SEAFTOHWHNMELW-YOEHRIQHSA-N -1 3 354.458 2.880 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001589897004 1080844465 /nfs/dbraw/zinc/84/44/65/1080844465.db2.gz MHXDXICREUIPQS-ZIAGYGMSSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001589897004 1080844472 /nfs/dbraw/zinc/84/44/72/1080844472.db2.gz MHXDXICREUIPQS-ZIAGYGMSSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1Cl ZINC001589989231 1080925604 /nfs/dbraw/zinc/92/56/04/1080925604.db2.gz APRCXRDBEVHOSK-QGZVFWFLSA-N -1 3 354.801 2.711 20 30 FFEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1Cl ZINC001589989231 1080925607 /nfs/dbraw/zinc/92/56/07/1080925607.db2.gz APRCXRDBEVHOSK-QGZVFWFLSA-N -1 3 354.801 2.711 20 30 FFEDHM C[C@]1(C#N)CCCN(c2cc(Br)c(-c3nnn[n-]3)cc2F)C1 ZINC001590055014 1080982722 /nfs/dbraw/zinc/98/27/22/1080982722.db2.gz OUFXFCVYBLVVNO-CQSZACIVSA-N -1 3 365.210 2.898 20 30 FFEDHM C[C@]1(C#N)CCCN(c2cc(Br)c(-c3nn[n-]n3)cc2F)C1 ZINC001590055014 1080982727 /nfs/dbraw/zinc/98/27/27/1080982727.db2.gz OUFXFCVYBLVVNO-CQSZACIVSA-N -1 3 365.210 2.898 20 30 FFEDHM CC1(C#N)CN(Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC001590056428 1080983203 /nfs/dbraw/zinc/98/32/03/1080983203.db2.gz KTZKPANGLBEOCE-UHFFFAOYSA-N -1 3 360.421 2.791 20 30 FFEDHM CC1(C#N)CN(Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)C1 ZINC001590056428 1080983208 /nfs/dbraw/zinc/98/32/08/1080983208.db2.gz KTZKPANGLBEOCE-UHFFFAOYSA-N -1 3 360.421 2.791 20 30 FFEDHM C[C@@H]1CCC[C@H](CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC001590241000 1081115615 /nfs/dbraw/zinc/11/56/15/1081115615.db2.gz FUTFOHMESVFLCR-NONVJHHQSA-N -1 3 366.469 2.737 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@H]2CCO[C@@H]21 ZINC000153357620 251128275 /nfs/dbraw/zinc/12/82/75/251128275.db2.gz ITAWLXYASYSYCB-HONMWMINSA-N -1 3 374.384 2.669 20 30 FFEDHM N#Cc1ccc(CN2CCCN(C(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC000181074748 251238555 /nfs/dbraw/zinc/23/85/55/251238555.db2.gz CVEUEPRQUWUAPM-UHFFFAOYSA-N -1 3 353.397 2.751 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000288705877 257219601 /nfs/dbraw/zinc/21/96/01/257219601.db2.gz YXUVJLIQRQDIMD-BFUOFWGJSA-N -1 3 351.406 2.847 20 30 FFEDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000289296678 257272482 /nfs/dbraw/zinc/27/24/82/257272482.db2.gz HRRSIUSCABXXID-SNVBAGLBSA-N -1 3 362.407 2.594 20 30 FFEDHM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000296928550 257768785 /nfs/dbraw/zinc/76/87/85/257768785.db2.gz GBKJFVLGVSSXBX-UHFFFAOYSA-N -1 3 353.188 2.644 20 30 FFEDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CCC2 ZINC000370954924 512151440 /nfs/dbraw/zinc/15/14/40/512151440.db2.gz WPGZWJLAMSJHCR-GFCCVEGCSA-N -1 3 364.858 2.573 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)s1 ZINC000230333904 509436672 /nfs/dbraw/zinc/43/66/72/509436672.db2.gz OVDSSJZAVQDLTM-UHFFFAOYSA-N -1 3 357.254 2.861 20 30 FFEDHM C[C@H]1Sc2ccc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)cc2NC1=O ZINC000053523854 506396582 /nfs/dbraw/zinc/39/65/82/506396582.db2.gz FXFUKBMYWRYLOM-SECBINFHSA-N -1 3 366.406 2.936 20 30 FFEDHM C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc2NC1=O ZINC000053523854 506396590 /nfs/dbraw/zinc/39/65/90/506396590.db2.gz FXFUKBMYWRYLOM-SECBINFHSA-N -1 3 366.406 2.936 20 30 FFEDHM C[C@H]1Sc2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2NC1=O ZINC000053523854 506396601 /nfs/dbraw/zinc/39/66/01/506396601.db2.gz FXFUKBMYWRYLOM-SECBINFHSA-N -1 3 366.406 2.936 20 30 FFEDHM N#CC(=C([O-])c1ccc(Cn2cccn2)cc1)c1nnc2n1CCCCC2 ZINC000041507244 506525988 /nfs/dbraw/zinc/52/59/88/506525988.db2.gz BIHLWCMNGNVJAH-KRWDZBQOSA-N -1 3 360.421 2.739 20 30 FFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000042007843 506581614 /nfs/dbraw/zinc/58/16/14/506581614.db2.gz AUPJWQHFDFMKQD-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CNc3ccc(C#N)cc3)c2)n1 ZINC000067709815 506986394 /nfs/dbraw/zinc/98/63/94/506986394.db2.gz OMTTYTFASKNVPM-UHFFFAOYSA-N -1 3 373.416 2.922 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-n2ccnc2)c1 ZINC000047514555 507349266 /nfs/dbraw/zinc/34/92/66/507349266.db2.gz IQJMHEDXSJPHOA-UHFFFAOYSA-N -1 3 361.405 2.620 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(C#N)CC3)nc(=O)c2c1C ZINC000057907805 507351240 /nfs/dbraw/zinc/35/12/40/507351240.db2.gz BSTUOVOGZSJNNB-LLVKDONJSA-N -1 3 374.466 2.766 20 30 FFEDHM Cc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000058451571 507422164 /nfs/dbraw/zinc/42/21/64/507422164.db2.gz SDGRTNPSSNPVPZ-UHFFFAOYSA-N -1 3 364.405 2.562 20 30 FFEDHM CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000071845316 507720058 /nfs/dbraw/zinc/72/00/58/507720058.db2.gz UATUAVFYIQMMMB-GFCCVEGCSA-N -1 3 369.347 2.795 20 30 FFEDHM CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000071845316 507720067 /nfs/dbraw/zinc/72/00/67/507720067.db2.gz UATUAVFYIQMMMB-GFCCVEGCSA-N -1 3 369.347 2.795 20 30 FFEDHM C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C#N)cc1 ZINC000052505472 507811261 /nfs/dbraw/zinc/81/12/61/507811261.db2.gz FACGUTNYAZVMLB-KDOFPFPSSA-N -1 3 363.417 2.746 20 30 FFEDHM Cc1nc(C)c(CCC(=O)Nc2ccccc2SCCC#N)c(=O)[n-]1 ZINC000108201564 507881087 /nfs/dbraw/zinc/88/10/87/507881087.db2.gz RHIAIHFULCTKFK-UHFFFAOYSA-N -1 3 356.451 2.964 20 30 FFEDHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c(=O)[n-]1 ZINC000075434935 508106961 /nfs/dbraw/zinc/10/69/61/508106961.db2.gz HDXHDRWUJKUFRN-UHFFFAOYSA-N -1 3 352.438 2.628 20 30 FFEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cn1 ZINC000102115728 508268135 /nfs/dbraw/zinc/26/81/35/508268135.db2.gz JAESROQSBTZEON-OAHLLOKOSA-N -1 3 364.405 2.874 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000127581614 508472665 /nfs/dbraw/zinc/47/26/65/508472665.db2.gz DFYCVRCVEAVOFV-UKRRQHHQSA-N -1 3 372.899 2.545 20 30 FFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C2CC2)s1 ZINC000122294611 508513425 /nfs/dbraw/zinc/51/34/25/508513425.db2.gz QDYMYJLKVOFDBZ-CQSZACIVSA-N -1 3 351.428 2.892 20 30 FFEDHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000122449607 508536865 /nfs/dbraw/zinc/53/68/65/508536865.db2.gz QBTZBSRNJPBJQH-JTQLQIEISA-N -1 3 352.362 2.885 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOC1CCCCCC1 ZINC000118360124 508647478 /nfs/dbraw/zinc/64/74/78/508647478.db2.gz YCWLDYIFPVRDTR-UHFFFAOYSA-N -1 3 359.470 2.652 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1c(C)nn(C)c1C ZINC000123220754 508654581 /nfs/dbraw/zinc/65/45/81/508654581.db2.gz BYIMHANXRXTVIS-AWEZNQCLSA-N -1 3 366.874 2.992 20 30 FFEDHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccn1 ZINC000118941433 508692578 /nfs/dbraw/zinc/69/25/78/508692578.db2.gz ZAYCCJQTAZZPLZ-UHFFFAOYSA-N -1 3 365.842 2.872 20 30 FFEDHM Cc1nc(Cn2cc(C(=O)[N-]c3scc(C(C)(C)C)c3C#N)nn2)no1 ZINC000410931104 512416738 /nfs/dbraw/zinc/41/67/38/512416738.db2.gz PVDNOYJGIZWIAI-UHFFFAOYSA-N -1 3 371.426 2.501 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCC3)c2)c(F)c1 ZINC000151078665 508951730 /nfs/dbraw/zinc/95/17/30/508951730.db2.gz CLNTZLHNVOHQEF-UHFFFAOYSA-N -1 3 374.441 2.561 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000120491841 509007764 /nfs/dbraw/zinc/00/77/64/509007764.db2.gz XTCWHBJXBTXQIH-GOSISDBHSA-N -1 3 358.463 2.732 20 30 FFEDHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000125714648 509020203 /nfs/dbraw/zinc/02/02/03/509020203.db2.gz DVVIMTRFDISQRQ-GXTWGEPZSA-N -1 3 369.468 2.809 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000156097014 509126113 /nfs/dbraw/zinc/12/61/13/509126113.db2.gz UUWPKFZOXALJDY-MRXNPFEDSA-N -1 3 363.870 2.793 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000156297652 509156557 /nfs/dbraw/zinc/15/65/57/509156557.db2.gz OSDFOJAHZPIZJA-UHFFFAOYSA-N -1 3 371.418 2.867 20 30 FFEDHM N#C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000182410225 509223078 /nfs/dbraw/zinc/22/30/78/509223078.db2.gz JQNZWGLPTLZXAT-RTBURBONSA-N -1 3 363.417 2.672 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000172960397 509325244 /nfs/dbraw/zinc/32/52/44/509325244.db2.gz MOUAYQNKGTXPMH-UHFFFAOYSA-N -1 3 369.078 2.984 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1 ZINC000179236041 509333922 /nfs/dbraw/zinc/33/39/22/509333922.db2.gz IZRQYVPBHSJNKT-CQSZACIVSA-N -1 3 370.858 2.877 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1Cc1ccc(F)cc1F ZINC000192195877 509398318 /nfs/dbraw/zinc/39/83/18/509398318.db2.gz ODHXZZMCQLWSHZ-CQSZACIVSA-N -1 3 353.332 2.798 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000186021097 509483836 /nfs/dbraw/zinc/48/38/36/509483836.db2.gz VQYQZEXYFJDLMJ-MRXNPFEDSA-N -1 3 363.870 2.793 20 30 FFEDHM CS(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)cs1 ZINC000179608425 509534570 /nfs/dbraw/zinc/53/45/70/509534570.db2.gz ZFUCQSNREKUPPY-UHFFFAOYSA-N -1 3 352.462 2.826 20 30 FFEDHM C=CC1CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CC1 ZINC000186282916 509621458 /nfs/dbraw/zinc/62/14/58/509621458.db2.gz YPIZFALAUVYQHI-UHFFFAOYSA-N -1 3 355.394 2.979 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000180050855 509726811 /nfs/dbraw/zinc/72/68/11/509726811.db2.gz RWWYAXBLQWHJBM-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM Cc1nc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3C#N)cc2)cn1C ZINC000180098701 509750778 /nfs/dbraw/zinc/75/07/78/509750778.db2.gz WPFJDSIIUFOKGF-UHFFFAOYSA-N -1 3 366.446 2.746 20 30 FFEDHM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180101072 509753092 /nfs/dbraw/zinc/75/30/92/509753092.db2.gz KHWJQYJMQIHRIV-SASJJMKUSA-N -1 3 374.915 2.570 20 30 FFEDHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)ccn1 ZINC000180197338 509807477 /nfs/dbraw/zinc/80/74/77/509807477.db2.gz BABGMYMXCCBXCH-LBPRGKRZSA-N -1 3 363.414 2.748 20 30 FFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000186808720 509904737 /nfs/dbraw/zinc/90/47/37/509904737.db2.gz UMFREAIVBUSQQX-GXTWGEPZSA-N -1 3 372.874 2.868 20 30 FFEDHM C=CCOc1ccccc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000171091395 509936218 /nfs/dbraw/zinc/93/62/18/509936218.db2.gz MSCXYDWXIZMWMO-UHFFFAOYSA-N -1 3 354.406 2.507 20 30 FFEDHM COCc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)n[n-]1 ZINC000268460021 509943502 /nfs/dbraw/zinc/94/35/02/509943502.db2.gz DPPWRIYOEXBOCA-ZDUSSCGKSA-N -1 3 359.455 2.687 20 30 FFEDHM COc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc(OC)c1[O-] ZINC000186912463 509945697 /nfs/dbraw/zinc/94/56/97/509945697.db2.gz BZRRZZZWKCJOPQ-FQEVSTJZSA-N -1 3 352.390 2.590 20 30 FFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187056816 510031523 /nfs/dbraw/zinc/03/15/23/510031523.db2.gz FQYTYJHMTGHFCF-QWHCGFSZSA-N -1 3 359.875 2.998 20 30 FFEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000177915782 510324613 /nfs/dbraw/zinc/32/46/13/510324613.db2.gz CGZRALSKDWRNBM-INIZCTEOSA-N -1 3 351.454 2.631 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccccc1 ZINC000184632390 510430645 /nfs/dbraw/zinc/43/06/45/510430645.db2.gz PMJFEOIARPJYDH-NSHDSACASA-N -1 3 363.826 2.517 20 30 FFEDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(F)c1 ZINC000171940179 510462782 /nfs/dbraw/zinc/46/27/82/510462782.db2.gz FRUTVGFPPYDIDH-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)nn1 ZINC000178289492 510530281 /nfs/dbraw/zinc/53/02/81/510530281.db2.gz SGMMTRMSHGJTSI-UHFFFAOYSA-N -1 3 357.439 2.567 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]CCCCC#N)c(Cl)cc1Cl ZINC000175270912 510562858 /nfs/dbraw/zinc/56/28/58/510562858.db2.gz RMOVVUROUPXVSD-UHFFFAOYSA-N -1 3 365.238 2.752 20 30 FFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000188104049 510596143 /nfs/dbraw/zinc/59/61/43/510596143.db2.gz ZGXSGKYNSXMCAX-KBPBESRZSA-N -1 3 372.874 2.868 20 30 FFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000188104095 510596221 /nfs/dbraw/zinc/59/62/21/510596221.db2.gz ZGXSGKYNSXMCAX-UONOGXRCSA-N -1 3 372.874 2.868 20 30 FFEDHM Cn1cc(Br)c(=O)c([N-]C(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000181848066 510624134 /nfs/dbraw/zinc/62/41/34/510624134.db2.gz WKLQKGXQRUGVBB-UHFFFAOYSA-N -1 3 368.137 2.550 20 30 FFEDHM C[C@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000188231907 510661221 /nfs/dbraw/zinc/66/12/21/510661221.db2.gz TVRVBVILAKNSAE-QWHCGFSZSA-N -1 3 355.891 2.610 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1[O-] ZINC000275350798 510879519 /nfs/dbraw/zinc/87/95/19/510879519.db2.gz ZCMZYIMFWKTWEC-LLLLHYHESA-N -1 3 363.458 2.652 20 30 FFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000285473236 510920730 /nfs/dbraw/zinc/92/07/30/510920730.db2.gz BHASCKGELFIBCZ-INIZCTEOSA-N -1 3 355.435 2.781 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000276402315 510937757 /nfs/dbraw/zinc/93/77/57/510937757.db2.gz OVYHJPMSBAXYPX-HNNXBMFYSA-N -1 3 359.426 2.590 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000330679067 511007511 /nfs/dbraw/zinc/00/75/11/511007511.db2.gz XHOGZTHFGVWZPK-HUUCEWRRSA-N -1 3 367.515 2.873 20 30 FFEDHM N#Cc1cc2c(nc1N1CCN(C(=O)c3cccc([O-])c3)CC1)CCCC2 ZINC000270937940 511029923 /nfs/dbraw/zinc/02/99/23/511029923.db2.gz JAWBMQVWWKLEDP-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM C=CCCCCCC[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000286728287 511031182 /nfs/dbraw/zinc/03/11/82/511031182.db2.gz NRSMNBVFNYEHQO-UHFFFAOYSA-N -1 3 358.529 2.842 20 30 FFEDHM C=CCN(C(=O)CCc1ccc2ccccc2c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000294702782 511148413 /nfs/dbraw/zinc/14/84/13/511148413.db2.gz ZCLUIHZKGZAGPR-KRWDZBQOSA-N -1 3 373.474 2.680 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000365278446 511357648 /nfs/dbraw/zinc/35/76/48/511357648.db2.gz LGSDADIXJBUAHY-LJQANCHMSA-N -1 3 365.433 2.808 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1OCCc2sccc21 ZINC000291961568 511408127 /nfs/dbraw/zinc/40/81/27/511408127.db2.gz PMXXHJORXBPGTN-HWPZZCPQSA-N -1 3 366.439 2.740 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000365430483 511447591 /nfs/dbraw/zinc/44/75/91/511447591.db2.gz WGCSTRWTAJMYTP-OAHLLOKOSA-N -1 3 371.466 2.621 20 30 FFEDHM N#CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000272753782 511506989 /nfs/dbraw/zinc/50/69/89/511506989.db2.gz KGFBXMTZKHCLJJ-IBGZPJMESA-N -1 3 363.417 2.768 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000295826955 511527510 /nfs/dbraw/zinc/52/75/10/511527510.db2.gz VJAHZNQFUUKZQK-UWVGGRQHSA-N -1 3 361.236 2.949 20 30 FFEDHM C#CCC1(C(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)CCCCC1 ZINC000365633684 511570941 /nfs/dbraw/zinc/57/09/41/511570941.db2.gz LPFYPXXQCJIHML-UHFFFAOYSA-N -1 3 372.469 2.661 20 30 FFEDHM C#CCC1(C(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)CCCCC1 ZINC000365633684 511570947 /nfs/dbraw/zinc/57/09/47/511570947.db2.gz LPFYPXXQCJIHML-UHFFFAOYSA-N -1 3 372.469 2.661 20 30 FFEDHM C=CCN(CC(F)(F)F)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000299351849 511602961 /nfs/dbraw/zinc/60/29/61/511602961.db2.gz ABUBZYZEDLBCRC-UHFFFAOYSA-N -1 3 366.343 2.672 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(C(=O)CC)ccc2Cl)CC1 ZINC000280805847 511609708 /nfs/dbraw/zinc/60/97/08/511609708.db2.gz WJYLPJXXXDKRGY-UHFFFAOYSA-N -1 3 370.902 2.861 20 30 FFEDHM C[C@]1(c2cccc(-c3noc(C4(C#N)CCCCC4)n3)c2)NC(=O)[N-]C1=O ZINC000273871200 511638622 /nfs/dbraw/zinc/63/86/22/511638622.db2.gz NIIRVOHLOAMDKJ-GOSISDBHSA-N -1 3 365.393 2.517 20 30 FFEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccccc1OCC#N ZINC000365983517 511764872 /nfs/dbraw/zinc/76/48/72/511764872.db2.gz VKWAYFIVSTWDIQ-UHFFFAOYSA-N -1 3 367.796 2.712 20 30 FFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000284767767 511860257 /nfs/dbraw/zinc/86/02/57/511860257.db2.gz VTXHBDNHOPHRMK-GFCCVEGCSA-N -1 3 374.890 2.683 20 30 FFEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)NC[C@@H](O)C(F)(F)F ZINC000274946034 511995318 /nfs/dbraw/zinc/99/53/18/511995318.db2.gz RIIDUDMDZGYWOH-APPZFPTMSA-N -1 3 366.208 2.791 20 30 FFEDHM CCCCc1cnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1 ZINC000411071005 512459564 /nfs/dbraw/zinc/45/95/64/512459564.db2.gz LJSHUJZVNGRVOS-UHFFFAOYSA-N -1 3 353.426 2.980 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(C[N-]S(=O)(=O)c3cc(F)ccc3F)n2)c1 ZINC000378437909 512758786 /nfs/dbraw/zinc/75/87/86/512758786.db2.gz HMPQGNXAUCHYNX-UHFFFAOYSA-N -1 3 374.372 2.705 20 30 FFEDHM C[C@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000440073109 513240019 /nfs/dbraw/zinc/24/00/19/513240019.db2.gz DSRLYJNXUUKTNB-CHWSQXEVSA-N -1 3 355.891 2.610 20 30 FFEDHM O=c1[n-]nc(C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)o1 ZINC000450920638 513405649 /nfs/dbraw/zinc/40/56/49/513405649.db2.gz ZGVDTTZCUYXXEK-UHFFFAOYSA-N -1 3 367.327 2.905 20 30 FFEDHM COc1cc(C(F)(F)F)cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1 ZINC000451003317 513450724 /nfs/dbraw/zinc/45/07/24/513450724.db2.gz FCOBSZZQOSBKJY-UHFFFAOYSA-N -1 3 369.258 2.893 20 30 FFEDHM N#Cc1ccc(Oc2cccc(NC(=O)C(=O)[N-]c3cnns3)c2)cc1 ZINC000430001986 513523799 /nfs/dbraw/zinc/52/37/99/513523799.db2.gz FGMXHIFLAHPHOZ-UHFFFAOYSA-N -1 3 365.374 2.779 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435428310 513581796 /nfs/dbraw/zinc/58/17/96/513581796.db2.gz RNMJQOLFKPXBDP-ZUZCIYMTSA-N -1 3 354.428 2.813 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000435433296 513584959 /nfs/dbraw/zinc/58/49/59/513584959.db2.gz NIYGJIZOBDUWDB-ZDUSSCGKSA-N -1 3 363.266 2.594 20 30 FFEDHM N#CCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430561944 513689298 /nfs/dbraw/zinc/68/92/98/513689298.db2.gz BIOHUVVPITXWIW-UHFFFAOYSA-N -1 3 368.618 2.978 20 30 FFEDHM N#CCCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430561944 513689300 /nfs/dbraw/zinc/68/93/00/513689300.db2.gz BIOHUVVPITXWIW-UHFFFAOYSA-N -1 3 368.618 2.978 20 30 FFEDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)s1 ZINC000451391719 513718784 /nfs/dbraw/zinc/71/87/84/513718784.db2.gz FDQVWPQATTWGHM-MRVPVSSYSA-N -1 3 356.860 2.606 20 30 FFEDHM CCO[C@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000451461028 513763343 /nfs/dbraw/zinc/76/33/43/513763343.db2.gz SQULGNKHHJMFRW-GOSISDBHSA-N -1 3 362.426 2.895 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c(Cl)c1 ZINC000451504207 513794276 /nfs/dbraw/zinc/79/42/76/513794276.db2.gz FMFOQAWCGCFLPF-VXGBXAGGSA-N -1 3 364.801 2.845 20 30 FFEDHM Cc1nc(C)c(CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c(=O)[n-]1 ZINC000442946009 513823221 /nfs/dbraw/zinc/82/32/21/513823221.db2.gz SVJAAQLVZXEXEI-UHFFFAOYSA-N -1 3 366.299 2.751 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N1CCC(C)CC1 ZINC000443035886 513849872 /nfs/dbraw/zinc/84/98/72/513849872.db2.gz KVSFQOQIMHQKAM-ZDUSSCGKSA-N -1 3 355.891 2.610 20 30 FFEDHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000443075551 513864817 /nfs/dbraw/zinc/86/48/17/513864817.db2.gz VIIYVZGRNACZIZ-CQSZACIVSA-N -1 3 373.434 2.993 20 30 FFEDHM COC1([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000416613407 513868388 /nfs/dbraw/zinc/86/83/88/513868388.db2.gz FMNRCNUAFWLJKW-SNVBAGLBSA-N -1 3 373.272 2.557 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccsc1 ZINC000443098276 513871252 /nfs/dbraw/zinc/87/12/52/513871252.db2.gz XLRPCWZTIDDACE-AWEZNQCLSA-N -1 3 369.899 2.854 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N1CCCC[C@H]1C ZINC000443106060 513873776 /nfs/dbraw/zinc/87/37/76/513873776.db2.gz QYZCTMJQIGYJHU-OLZOCXBDSA-N -1 3 355.891 2.753 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccs1 ZINC000443112138 513874737 /nfs/dbraw/zinc/87/47/37/513874737.db2.gz VPZAPYMIRIPUGW-ZDUSSCGKSA-N -1 3 369.899 2.854 20 30 FFEDHM C[C@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443124797 513879038 /nfs/dbraw/zinc/87/90/38/513879038.db2.gz CDOYOCGUFVOBCH-STQMWFEESA-N -1 3 351.428 2.961 20 30 FFEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436625467 513922142 /nfs/dbraw/zinc/92/21/42/513922142.db2.gz OVHHHFMQCMCOCG-UHFFFAOYSA-N -1 3 373.416 2.706 20 30 FFEDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000443345085 513944241 /nfs/dbraw/zinc/94/42/41/513944241.db2.gz QCGBVFUSZPZLCS-PWSUYJOCSA-N -1 3 364.389 2.652 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC)c(OCC(F)(F)F)c1 ZINC000416958658 514068037 /nfs/dbraw/zinc/06/80/37/514068037.db2.gz YGADMHADZJUUFK-SNVBAGLBSA-N -1 3 352.334 2.680 20 30 FFEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C1(CC(=O)OCC)CC1 ZINC000414374576 514074359 /nfs/dbraw/zinc/07/43/59/514074359.db2.gz PDUICAMAMXDBIP-UHFFFAOYSA-N -1 3 365.455 2.608 20 30 FFEDHM C=CCN(C(=O)CNC(=O)c1cccc([O-])c1)c1nc2c(s1)CCCC2 ZINC000427247208 514160642 /nfs/dbraw/zinc/16/06/42/514160642.db2.gz YLAIJXKUWGTYET-UHFFFAOYSA-N -1 3 371.462 2.677 20 30 FFEDHM COc1cc(F)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000452088387 514182860 /nfs/dbraw/zinc/18/28/60/514182860.db2.gz OBXKBHOCPFMPSX-JTQLQIEISA-N -1 3 354.428 2.677 20 30 FFEDHM N[C@](C(=O)[N-]C(CF)CF)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000452329133 514287333 /nfs/dbraw/zinc/28/73/33/514287333.db2.gz YCOFLBJUXKNLCX-NSHDSACASA-N -1 3 364.236 2.846 20 30 FFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427763582 514306727 /nfs/dbraw/zinc/30/67/27/514306727.db2.gz JZMWVAQNLYDYEM-LBPRGKRZSA-N -1 3 352.309 2.695 20 30 FFEDHM C[C@@H](COc1ccc(C(C)(C)C)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428244887 514431501 /nfs/dbraw/zinc/43/15/01/514431501.db2.gz ZWTHOESPXBLMFW-AWEZNQCLSA-N -1 3 373.478 2.997 20 30 FFEDHM CCCc1c([N-]S(=O)(=O)N2CC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000438836805 514451141 /nfs/dbraw/zinc/45/11/41/514451141.db2.gz HHKFPARRWVICKC-CQSZACIVSA-N -1 3 373.482 2.695 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000428390870 514464451 /nfs/dbraw/zinc/46/44/51/514464451.db2.gz DQOQENPYHGAELE-SNVBAGLBSA-N -1 3 371.340 2.891 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCCCC(=O)Nc1ccccc1C(C)=O ZINC000470833281 514632578 /nfs/dbraw/zinc/63/25/78/514632578.db2.gz SUHANNDUMSDHLF-UHFFFAOYSA-N -1 3 360.439 2.883 20 30 FFEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475822476 514823003 /nfs/dbraw/zinc/82/30/03/514823003.db2.gz UUCDHKMDPXDIMY-UHFFFAOYSA-N -1 3 363.826 2.566 20 30 FFEDHM COc1cccc(F)c1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000480233403 514890158 /nfs/dbraw/zinc/89/01/58/514890158.db2.gz VPQCEQWDAMUJDD-UHFFFAOYSA-N -1 3 351.341 2.598 20 30 FFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)C2CC2)s1 ZINC000489613685 514916621 /nfs/dbraw/zinc/91/66/21/514916621.db2.gz VZAMZFRNNQGYOK-AWEZNQCLSA-N -1 3 351.428 2.892 20 30 FFEDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476304829 514991533 /nfs/dbraw/zinc/99/15/33/514991533.db2.gz IFCAXGJLIVACNB-QGZVFWFLSA-N -1 3 350.484 2.638 20 30 FFEDHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503488029 515051812 /nfs/dbraw/zinc/05/18/12/515051812.db2.gz OBWVCPJJQZVQHP-LLVKDONJSA-N -1 3 350.827 2.827 20 30 FFEDHM C=CCCC1(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CC1 ZINC000476472625 515062289 /nfs/dbraw/zinc/06/22/89/515062289.db2.gz OWWODJOXBUEIJG-UHFFFAOYSA-N -1 3 350.440 2.617 20 30 FFEDHM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000467773597 515112014 /nfs/dbraw/zinc/11/20/14/515112014.db2.gz RGBNLSMMYVPNOY-UHFFFAOYSA-N -1 3 370.887 2.839 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CC1 ZINC000472111101 515128774 /nfs/dbraw/zinc/12/87/74/515128774.db2.gz SNINLERLCMBDKU-UHFFFAOYSA-N -1 3 352.431 2.809 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)c1 ZINC000503727849 515130159 /nfs/dbraw/zinc/13/01/59/515130159.db2.gz AZQIELWBNUXTFE-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM COCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccco1 ZINC000505025133 515433172 /nfs/dbraw/zinc/43/31/72/515433172.db2.gz QMCXRANBJGCIGP-INIZCTEOSA-N -1 3 357.410 2.695 20 30 FFEDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n[nH]1 ZINC000486601502 515555974 /nfs/dbraw/zinc/55/59/74/515555974.db2.gz IULNXJMEJPKDLY-VHSXEESVSA-N -1 3 367.862 2.883 20 30 FFEDHM Cc1cc2cc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)ccc2[nH]1 ZINC000510722251 515647700 /nfs/dbraw/zinc/64/77/00/515647700.db2.gz WHFWPDWSVALOKW-UHFFFAOYSA-N -1 3 370.390 2.735 20 30 FFEDHM C[C@H]1CCN(c2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccn2)C1 ZINC000478075844 515691611 /nfs/dbraw/zinc/69/16/11/515691611.db2.gz AQRJRDMJOLMSHM-GOEBONIOSA-N -1 3 364.453 2.736 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469306701 515762560 /nfs/dbraw/zinc/76/25/60/515762560.db2.gz FFVSHROEAHCUMZ-AWEZNQCLSA-N -1 3 373.902 2.982 20 30 FFEDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000464360163 515794552 /nfs/dbraw/zinc/79/45/52/515794552.db2.gz BJQVYTNKCNTNLW-ZETCQYMHSA-N -1 3 371.178 2.940 20 30 FFEDHM C=CCC1(CNC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000455067820 515935172 /nfs/dbraw/zinc/93/51/72/515935172.db2.gz YZEKNINYNCLLFD-INIZCTEOSA-N -1 3 370.453 2.695 20 30 FFEDHM CC#CCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000483416094 516078520 /nfs/dbraw/zinc/07/85/20/516078520.db2.gz GFASAENRKRSSBZ-UHFFFAOYSA-N -1 3 363.845 2.819 20 30 FFEDHM CCSCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557854562 516472182 /nfs/dbraw/zinc/47/21/82/516472182.db2.gz JHNKKPCFSTZGMO-UHFFFAOYSA-N -1 3 363.302 2.742 20 30 FFEDHM C[C@@]1(c2ccc(CNc3c(F)cc(C#N)cc3F)cc2)NC(=O)[N-]C1=O ZINC000523579149 516510789 /nfs/dbraw/zinc/51/07/89/516510789.db2.gz SMZLDOUFKSAVET-SFHVURJKSA-N -1 3 356.332 2.503 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c(F)c1 ZINC000547715393 516517145 /nfs/dbraw/zinc/51/71/45/516517145.db2.gz REEVLQRDIFNEGW-AWEZNQCLSA-N -1 3 350.346 2.639 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000561400172 516562014 /nfs/dbraw/zinc/56/20/14/516562014.db2.gz GBZIZMFFSDQVFH-CQSZACIVSA-N -1 3 355.341 2.578 20 30 FFEDHM COC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)cn1 ZINC000561517150 516628460 /nfs/dbraw/zinc/62/84/60/516628460.db2.gz DMLXOZFJKITQRR-VIFPVBQESA-N -1 3 356.407 2.573 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@](C)(CC)C(F)(F)F)c1 ZINC000548146727 516793754 /nfs/dbraw/zinc/79/37/54/516793754.db2.gz IREMIASCJGDFQT-CQSZACIVSA-N -1 3 364.389 2.612 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000562067462 516903547 /nfs/dbraw/zinc/90/35/47/516903547.db2.gz QCPFTKIGWWXWGV-AWEZNQCLSA-N -1 3 355.341 2.925 20 30 FFEDHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000532360951 516933559 /nfs/dbraw/zinc/93/35/59/516933559.db2.gz LIBGGSQVYZDDJA-CQSZACIVSA-N -1 3 370.446 2.732 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)c1 ZINC000555530059 516957623 /nfs/dbraw/zinc/95/76/23/516957623.db2.gz KJQFXKOETWIYKY-UHFFFAOYSA-N -1 3 370.217 2.765 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000533095739 517291751 /nfs/dbraw/zinc/29/17/51/517291751.db2.gz VHXKWKIWTMITEG-OAHLLOKOSA-N -1 3 370.858 2.612 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000520522617 517422037 /nfs/dbraw/zinc/42/20/37/517422037.db2.gz NXUQYTIRMANBKV-CYBMUJFWSA-N -1 3 371.528 2.593 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000527043296 517468106 /nfs/dbraw/zinc/46/81/06/517468106.db2.gz RZRLHRHDJHSWRM-YPMHNXCESA-N -1 3 360.863 2.724 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CCOCC1 ZINC000533555009 517522724 /nfs/dbraw/zinc/52/27/24/517522724.db2.gz KVAHYLYIBLFGNE-UHFFFAOYSA-N -1 3 360.410 2.682 20 30 FFEDHM Cc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c([O-])c1O ZINC000530059514 517531310 /nfs/dbraw/zinc/53/13/10/517531310.db2.gz BUFGXOKYDKJOLK-UHFFFAOYSA-N -1 3 352.390 2.714 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000553464480 517726317 /nfs/dbraw/zinc/72/63/17/517726317.db2.gz KFZLNVLZVMTXII-LLVKDONJSA-N -1 3 355.257 2.955 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4ccccc4c(=O)n3C)nc1-2 ZINC000556896418 517733892 /nfs/dbraw/zinc/73/38/92/517733892.db2.gz GBMJMRVBDBAVRH-AWEZNQCLSA-N -1 3 357.373 2.608 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000542833102 517772591 /nfs/dbraw/zinc/77/25/91/517772591.db2.gz GQAOQYXVLRSIKG-UHFFFAOYSA-N -1 3 350.387 2.775 20 30 FFEDHM COC(=O)CC1(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCCC1 ZINC000530611702 517879679 /nfs/dbraw/zinc/87/96/79/517879679.db2.gz RBPKDCUPZRPNIO-UHFFFAOYSA-N -1 3 373.453 2.591 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(OC(F)(F)F)cc1 ZINC000530877062 518026894 /nfs/dbraw/zinc/02/68/94/518026894.db2.gz ABPSFWVJLHTRGC-CQSZACIVSA-N -1 3 361.283 2.851 20 30 FFEDHM N#CC1(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CCC1 ZINC000543431890 518087121 /nfs/dbraw/zinc/08/71/21/518087121.db2.gz VLEKTDZCSXLCQZ-UHFFFAOYSA-N -1 3 351.284 2.603 20 30 FFEDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000566809879 518214005 /nfs/dbraw/zinc/21/40/05/518214005.db2.gz DMDGFMVNKVFRJW-UHFFFAOYSA-N -1 3 360.364 2.868 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(C)C)C1(CO)CCCC1 ZINC000572855029 518393923 /nfs/dbraw/zinc/39/39/23/518393923.db2.gz VEEPQPVFIIWWOY-LJQANCHMSA-N -1 3 373.497 2.902 20 30 FFEDHM CCCN(C)[C@@H](CNC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)cc1 ZINC000588258922 518762843 /nfs/dbraw/zinc/76/28/43/518762843.db2.gz OMURKICXCVCPCH-INIZCTEOSA-N -1 3 374.876 2.572 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000573796096 518838748 /nfs/dbraw/zinc/83/87/48/518838748.db2.gz IXQTZIBWPSZKKO-KBPBESRZSA-N -1 3 350.465 2.680 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000571558918 519157605 /nfs/dbraw/zinc/15/76/05/519157605.db2.gz HHJMBICAFNFDTG-GFCCVEGCSA-N -1 3 368.256 2.824 20 30 FFEDHM CSc1nc(C2CC2)cc(C(=O)[N-]c2nc3n(n2)CCCC3)c1C#N ZINC000580409373 519162288 /nfs/dbraw/zinc/16/22/88/519162288.db2.gz DOXZBPVNYRMHBT-UHFFFAOYSA-N -1 3 354.439 2.733 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1ccc2ccccc2c1 ZINC000583349567 519200449 /nfs/dbraw/zinc/20/04/49/519200449.db2.gz MXTFRIURQHRQFB-KRWDZBQOSA-N -1 3 374.462 2.913 20 30 FFEDHM N#CC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1 ZINC000581239591 519593964 /nfs/dbraw/zinc/59/39/64/519593964.db2.gz ANZWCSVIBAAFPB-UHFFFAOYSA-N -1 3 360.211 2.714 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OCC)C1 ZINC000600003717 519996439 /nfs/dbraw/zinc/99/64/39/519996439.db2.gz FCJBIPQAQSGVGD-LBPRGKRZSA-N -1 3 350.440 2.596 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)c1 ZINC000594489129 519998524 /nfs/dbraw/zinc/99/85/24/519998524.db2.gz SRGKRQIJTPAFLO-CYBMUJFWSA-N -1 3 354.859 2.982 20 30 FFEDHM COCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000591862511 520064466 /nfs/dbraw/zinc/06/44/66/520064466.db2.gz SYPICLFSQZIGLS-INIZCTEOSA-N -1 3 362.389 2.783 20 30 FFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594724813 520114313 /nfs/dbraw/zinc/11/43/13/520114313.db2.gz XZXNUENKVPUXGC-YVEFUNNKSA-N -1 3 374.422 2.894 20 30 FFEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)C#N ZINC000594760379 520140822 /nfs/dbraw/zinc/14/08/22/520140822.db2.gz YWACHQAXDMSZHN-JTQLQIEISA-N -1 3 361.261 2.676 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)Cc1cnn(C)c1 ZINC000594778980 520152976 /nfs/dbraw/zinc/15/29/76/520152976.db2.gz FSTDIMMRFDFEKR-LLVKDONJSA-N -1 3 374.491 2.724 20 30 FFEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(Br)c1 ZINC000608908909 520160454 /nfs/dbraw/zinc/16/04/54/520160454.db2.gz ASGIQOCSODWGKD-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1 ZINC000594853012 520189501 /nfs/dbraw/zinc/18/95/01/520189501.db2.gz VQAWWECQCYCEEY-MNOVXSKESA-N -1 3 373.272 2.557 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1)C(C)C ZINC000592382097 520358831 /nfs/dbraw/zinc/35/88/31/520358831.db2.gz HVJSIYCVINGBBT-UONOGXRCSA-N -1 3 364.389 2.860 20 30 FFEDHM CCO[C@H](CS(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1)C1CC1 ZINC000600653732 520377164 /nfs/dbraw/zinc/37/71/64/520377164.db2.gz OVFNVIUVJSULQS-QGZVFWFLSA-N -1 3 352.456 2.902 20 30 FFEDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000595352374 520423115 /nfs/dbraw/zinc/42/31/15/520423115.db2.gz DIRLENJCPCILMP-ROUUACIJSA-N -1 3 362.426 2.734 20 30 FFEDHM N#Cc1cccc(COc2cccc(CN[C@H](C(=O)[O-])[C@@H]3CCCO3)c2)c1 ZINC000600943030 520550123 /nfs/dbraw/zinc/55/01/23/520550123.db2.gz POCVMNCDFUELSG-PMACEKPBSA-N -1 3 366.417 2.859 20 30 FFEDHM CCN(C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1)[C@H](C)C#N ZINC000598357981 520573238 /nfs/dbraw/zinc/57/32/38/520573238.db2.gz LFGKNFDBQBDISI-GFCCVEGCSA-N -1 3 372.450 2.713 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000610269743 520616114 /nfs/dbraw/zinc/61/61/14/520616114.db2.gz RRVDXIFTKKZCDN-LLVKDONJSA-N -1 3 352.362 2.582 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)c1 ZINC000613922135 520727833 /nfs/dbraw/zinc/72/78/33/520727833.db2.gz AGGYIVMMQYTWSQ-MRXNPFEDSA-N -1 3 362.838 2.804 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598620994 520747992 /nfs/dbraw/zinc/74/79/92/520747992.db2.gz DFBVUBSENUMMAS-SNVBAGLBSA-N -1 3 354.300 2.901 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(F)c1 ZINC000614080217 520788976 /nfs/dbraw/zinc/78/89/76/520788976.db2.gz HBCYYOZKRJDROB-ZBEGNZNMSA-N -1 3 353.419 2.535 20 30 FFEDHM CC(C)(C)n1nnc(C(=O)[N-]c2nc(-c3ccc(C#N)cc3)cs2)n1 ZINC000598800393 520848165 /nfs/dbraw/zinc/84/81/65/520848165.db2.gz QXQVJYBSPCVOHS-UHFFFAOYSA-N -1 3 353.411 2.676 20 30 FFEDHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611016991 520948712 /nfs/dbraw/zinc/94/87/12/520948712.db2.gz QQEPTRBNBFYZJF-UHFFFAOYSA-N -1 3 365.842 2.711 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1OCCc2ccccc21 ZINC000611017918 520949363 /nfs/dbraw/zinc/94/93/63/520949363.db2.gz VWTOEFNSHHICRR-INIZCTEOSA-N -1 3 362.838 2.804 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000601886746 521007572 /nfs/dbraw/zinc/00/75/72/521007572.db2.gz QAGUKQXEJNRTQY-HKUYNNGSSA-N -1 3 357.454 2.672 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)CCC(=O)N2 ZINC000593532328 521054382 /nfs/dbraw/zinc/05/43/82/521054382.db2.gz NUPZDPFJTPPLAX-SNVBAGLBSA-N -1 3 361.448 2.544 20 30 FFEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000599325245 521152121 /nfs/dbraw/zinc/15/21/21/521152121.db2.gz BBPPPLSZTSHSTP-UHFFFAOYSA-N -1 3 361.236 2.869 20 30 FFEDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618716987 521197761 /nfs/dbraw/zinc/19/77/61/521197761.db2.gz RFKRWAVOIWRLCF-CYBMUJFWSA-N -1 3 363.420 2.802 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c1 ZINC000619569608 521772851 /nfs/dbraw/zinc/77/28/51/521772851.db2.gz ALSJJNUGEUPVBR-UHFFFAOYSA-N -1 3 356.382 2.878 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1Cl ZINC000619753434 521855964 /nfs/dbraw/zinc/85/59/64/521855964.db2.gz IZXALJNWBHPIMT-UHFFFAOYSA-N -1 3 357.800 2.660 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNc2nnc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000736309807 598871246 /nfs/dbraw/zinc/87/12/46/598871246.db2.gz RRTWPIOXBNDWKT-AWEZNQCLSA-N -1 3 364.413 2.567 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNc2nnc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000736309807 598871247 /nfs/dbraw/zinc/87/12/47/598871247.db2.gz RRTWPIOXBNDWKT-AWEZNQCLSA-N -1 3 364.413 2.567 20 30 FFEDHM N#Cc1cc(NC(=O)COc2ccc(F)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737709344 598919256 /nfs/dbraw/zinc/91/92/56/598919256.db2.gz NECJJJLGTLGOAZ-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1cc(NC(=O)COc2ccc(F)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737709344 598919257 /nfs/dbraw/zinc/91/92/57/598919257.db2.gz NECJJJLGTLGOAZ-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1C ZINC000819773123 607254166 /nfs/dbraw/zinc/25/41/66/607254166.db2.gz OKUROWCVJXXFAG-UHFFFAOYSA-N -1 3 351.370 2.597 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1C ZINC000819773123 607254167 /nfs/dbraw/zinc/25/41/67/607254167.db2.gz OKUROWCVJXXFAG-UHFFFAOYSA-N -1 3 351.370 2.597 20 30 FFEDHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1F)C1(C#N)CCCCC1 ZINC000736739087 599065766 /nfs/dbraw/zinc/06/57/66/599065766.db2.gz JDMZNTMNYISPJS-UHFFFAOYSA-N -1 3 374.445 2.783 20 30 FFEDHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1F)C1(C#N)CCCCC1 ZINC000736739087 599065769 /nfs/dbraw/zinc/06/57/69/599065769.db2.gz JDMZNTMNYISPJS-UHFFFAOYSA-N -1 3 374.445 2.783 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735380532 599094481 /nfs/dbraw/zinc/09/44/81/599094481.db2.gz IQYXOWIWPZOFES-JXMROGBWSA-N -1 3 363.352 2.670 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735380532 599094484 /nfs/dbraw/zinc/09/44/84/599094484.db2.gz IQYXOWIWPZOFES-JXMROGBWSA-N -1 3 363.352 2.670 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000737081256 599150616 /nfs/dbraw/zinc/15/06/16/599150616.db2.gz MHCMGQJZCHJQBL-WAPJZHGLSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000737081256 599150618 /nfs/dbraw/zinc/15/06/18/599150618.db2.gz MHCMGQJZCHJQBL-WAPJZHGLSA-N -1 3 351.322 2.680 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735977404 599153026 /nfs/dbraw/zinc/15/30/26/599153026.db2.gz VMRAXWHZTWERQK-CYBMUJFWSA-N -1 3 363.377 2.905 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735977404 599153027 /nfs/dbraw/zinc/15/30/27/599153027.db2.gz VMRAXWHZTWERQK-CYBMUJFWSA-N -1 3 363.377 2.905 20 30 FFEDHM N#Cc1cccc(-c2nnc(COc3ccc(-c4nnn[n-]4)c(F)c3)o2)c1 ZINC000737721651 599167589 /nfs/dbraw/zinc/16/75/89/599167589.db2.gz BIIIKWYNCNKBEO-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1cccc(-c2nnc(COc3ccc(-c4nn[n-]n4)c(F)c3)o2)c1 ZINC000737721651 599167591 /nfs/dbraw/zinc/16/75/91/599167591.db2.gz BIIIKWYNCNKBEO-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)ccc1-c1nnn[n-]1 ZINC000737706287 599196054 /nfs/dbraw/zinc/19/60/54/599196054.db2.gz XAFCDKCEEMYQRH-KGLIPLIRSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)ccc1-c1nn[n-]n1 ZINC000737706287 599196057 /nfs/dbraw/zinc/19/60/57/599196057.db2.gz XAFCDKCEEMYQRH-KGLIPLIRSA-N -1 3 366.331 2.759 20 30 FFEDHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000737308781 599199963 /nfs/dbraw/zinc/19/99/63/599199963.db2.gz OKVIWQHSEUTNHO-UHFFFAOYSA-N -1 3 366.406 2.710 20 30 FFEDHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000737308781 599199965 /nfs/dbraw/zinc/19/99/65/599199965.db2.gz OKVIWQHSEUTNHO-UHFFFAOYSA-N -1 3 366.406 2.710 20 30 FFEDHM Cc1c(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822061635 607321653 /nfs/dbraw/zinc/32/16/53/607321653.db2.gz SRBRMFMGFIFXAH-GOSISDBHSA-N -1 3 373.420 2.654 20 30 FFEDHM Cc1c(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822061635 607321654 /nfs/dbraw/zinc/32/16/54/607321654.db2.gz SRBRMFMGFIFXAH-GOSISDBHSA-N -1 3 373.420 2.654 20 30 FFEDHM C=C(Br)CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735399255 598323406 /nfs/dbraw/zinc/32/34/06/598323406.db2.gz RAZSSOGVCFJPLG-UHFFFAOYSA-N -1 3 373.667 2.715 20 30 FFEDHM C=C(Br)CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735399255 598323408 /nfs/dbraw/zinc/32/34/08/598323408.db2.gz RAZSSOGVCFJPLG-UHFFFAOYSA-N -1 3 373.667 2.715 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000735402022 598444664 /nfs/dbraw/zinc/44/46/64/598444664.db2.gz FCNIGFJSFBPUEM-UHFFFAOYSA-N -1 3 365.393 2.839 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000735402022 598444665 /nfs/dbraw/zinc/44/46/65/598444665.db2.gz FCNIGFJSFBPUEM-UHFFFAOYSA-N -1 3 365.393 2.839 20 30 FFEDHM C=C1CCN(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000735403253 598504374 /nfs/dbraw/zinc/50/43/74/598504374.db2.gz SPZUDVLQYGAIIU-UHFFFAOYSA-N -1 3 372.498 2.788 20 30 FFEDHM C=C1CCN(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000735403253 598504375 /nfs/dbraw/zinc/50/43/75/598504375.db2.gz SPZUDVLQYGAIIU-UHFFFAOYSA-N -1 3 372.498 2.788 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000736676921 598517750 /nfs/dbraw/zinc/51/77/50/598517750.db2.gz VWXWOMSYRLGNOH-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000736676921 598517751 /nfs/dbraw/zinc/51/77/51/598517751.db2.gz VWXWOMSYRLGNOH-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM N#CCOc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000737696665 598648666 /nfs/dbraw/zinc/64/86/66/598648666.db2.gz UKLXOZYRDLGHRS-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM N#CCOc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000737696665 598648667 /nfs/dbraw/zinc/64/86/67/598648667.db2.gz UKLXOZYRDLGHRS-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM C=CCN(CC(F)(F)F)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735416251 598654588 /nfs/dbraw/zinc/65/45/88/598654588.db2.gz FTIWIHULXXBRCV-UHFFFAOYSA-N -1 3 357.361 2.536 20 30 FFEDHM C=CCN(CC(F)(F)F)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735416251 598654590 /nfs/dbraw/zinc/65/45/90/598654590.db2.gz FTIWIHULXXBRCV-UHFFFAOYSA-N -1 3 357.361 2.536 20 30 FFEDHM N#CCCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000737685293 598690028 /nfs/dbraw/zinc/69/00/28/598690028.db2.gz BZQNFBVVOMOTRM-IZZDOVSWSA-N -1 3 362.368 2.966 20 30 FFEDHM N#CCCN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000737685293 598690030 /nfs/dbraw/zinc/69/00/30/598690030.db2.gz BZQNFBVVOMOTRM-IZZDOVSWSA-N -1 3 362.368 2.966 20 30 FFEDHM C=CC1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000735402470 598704305 /nfs/dbraw/zinc/70/43/05/598704305.db2.gz BPBIEVGFDXMDRS-LLVKDONJSA-N -1 3 372.498 2.642 20 30 FFEDHM N#Cc1ccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737718172 598714251 /nfs/dbraw/zinc/71/42/51/598714251.db2.gz KSIFGRMZIQLIKX-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737718172 598714253 /nfs/dbraw/zinc/71/42/53/598714253.db2.gz KSIFGRMZIQLIKX-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)nc1 ZINC000735390184 598734536 /nfs/dbraw/zinc/73/45/36/598734536.db2.gz RLFLIBKWXJBXLM-UHFFFAOYSA-N -1 3 373.401 2.619 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)nc1 ZINC000735390184 598734538 /nfs/dbraw/zinc/73/45/38/598734538.db2.gz RLFLIBKWXJBXLM-UHFFFAOYSA-N -1 3 373.401 2.619 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000737015533 598802219 /nfs/dbraw/zinc/80/22/19/598802219.db2.gz QGKXOWJQAGNDNO-CMDGGOBGSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000737015533 598802220 /nfs/dbraw/zinc/80/22/20/598802220.db2.gz QGKXOWJQAGNDNO-CMDGGOBGSA-N -1 3 368.368 2.927 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000819743725 599317784 /nfs/dbraw/zinc/31/77/84/599317784.db2.gz PDILWPJAOROXHZ-PBHICJAKSA-N -1 3 355.442 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000819743725 599317786 /nfs/dbraw/zinc/31/77/86/599317786.db2.gz PDILWPJAOROXHZ-PBHICJAKSA-N -1 3 355.442 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CCCC)COC ZINC000735421007 599505580 /nfs/dbraw/zinc/50/55/80/599505580.db2.gz WRGNGSRRDKTGMI-QGZVFWFLSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CCCC)COC ZINC000735421007 599505583 /nfs/dbraw/zinc/50/55/83/599505583.db2.gz WRGNGSRRDKTGMI-QGZVFWFLSA-N -1 3 372.473 2.770 20 30 FFEDHM N#CC1(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000737678977 599568318 /nfs/dbraw/zinc/56/83/18/599568318.db2.gz NIAVGKIVULXBMX-UHFFFAOYSA-N -1 3 359.393 2.786 20 30 FFEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000737416096 599911894 /nfs/dbraw/zinc/91/18/94/599911894.db2.gz YJEJHPSFVLEWTH-JTQLQIEISA-N -1 3 355.753 2.516 20 30 FFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000819817750 607456027 /nfs/dbraw/zinc/45/60/27/607456027.db2.gz LCXKHFQNIZQHOK-FPLPWBNLSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000819817750 607456028 /nfs/dbraw/zinc/45/60/28/607456028.db2.gz LCXKHFQNIZQHOK-FPLPWBNLSA-N -1 3 351.341 2.860 20 30 FFEDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1cccc(Cl)c1 ZINC000823009807 607504412 /nfs/dbraw/zinc/50/44/12/607504412.db2.gz VLJDYAHYNPSMMG-UHFFFAOYSA-N -1 3 367.796 2.527 20 30 FFEDHM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)sc1SCC#N ZINC000826250466 607678270 /nfs/dbraw/zinc/67/82/70/607678270.db2.gz CDPFRDHPCYFTCB-UHFFFAOYSA-N -1 3 371.451 2.808 20 30 FFEDHM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)sc1SCC#N ZINC000826250466 607678272 /nfs/dbraw/zinc/67/82/72/607678272.db2.gz CDPFRDHPCYFTCB-UHFFFAOYSA-N -1 3 371.451 2.808 20 30 FFEDHM CCOC(=O)Nc1ccc(N=Cc2ccccc2O)cc1-c1nnn[n-]1 ZINC000825523113 607679547 /nfs/dbraw/zinc/67/95/47/607679547.db2.gz MRDQUHTVZRSTHN-UHFFFAOYSA-N -1 3 352.354 2.891 20 30 FFEDHM CCOC(=O)Nc1ccc(N=Cc2ccccc2O)cc1-c1nn[n-]n1 ZINC000825523113 607679549 /nfs/dbraw/zinc/67/95/49/607679549.db2.gz MRDQUHTVZRSTHN-UHFFFAOYSA-N -1 3 352.354 2.891 20 30 FFEDHM C#CCCSc1nc2ccccc2c(=O)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823845451 607711289 /nfs/dbraw/zinc/71/12/89/607711289.db2.gz SPNKNCDLBYHICK-UHFFFAOYSA-N -1 3 374.429 2.681 20 30 FFEDHM C#CCCSc1nc2ccccc2c(=O)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823845451 607711291 /nfs/dbraw/zinc/71/12/91/607711291.db2.gz SPNKNCDLBYHICK-UHFFFAOYSA-N -1 3 374.429 2.681 20 30 FFEDHM C#CCCCCCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833361737 605623923 /nfs/dbraw/zinc/62/39/23/605623923.db2.gz JOOYJNZXBANCNG-OAQYLSRUSA-N -1 3 356.466 2.806 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822829826 606127852 /nfs/dbraw/zinc/12/78/52/606127852.db2.gz KXPNHXHPMBZJAF-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822829826 606127853 /nfs/dbraw/zinc/12/78/53/606127853.db2.gz KXPNHXHPMBZJAF-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#C[C@@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1ccccc1 ZINC000822801945 606183648 /nfs/dbraw/zinc/18/36/48/606183648.db2.gz RYMCAUIOJFDYQC-SNGWPZLWSA-N -1 3 359.389 2.806 20 30 FFEDHM N#C[C@@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1ccccc1 ZINC000822801945 606183649 /nfs/dbraw/zinc/18/36/49/606183649.db2.gz RYMCAUIOJFDYQC-SNGWPZLWSA-N -1 3 359.389 2.806 20 30 FFEDHM S=C(NN=Cc1cc(-c2nnn[n-]2)cs1)Nc1cccc(Cl)c1 ZINC000823733025 606205013 /nfs/dbraw/zinc/20/50/13/606205013.db2.gz RWRVLZOBRPOUQQ-UHFFFAOYSA-N -1 3 363.859 2.902 20 30 FFEDHM S=C(NN=Cc1cc(-c2nn[n-]n2)cs1)Nc1cccc(Cl)c1 ZINC000823733025 606205015 /nfs/dbraw/zinc/20/50/15/606205015.db2.gz RWRVLZOBRPOUQQ-UHFFFAOYSA-N -1 3 363.859 2.902 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000819855585 606249523 /nfs/dbraw/zinc/24/95/23/606249523.db2.gz FJOKKBODYIUBEX-LLVKDONJSA-N -1 3 367.438 2.709 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000819855585 606249524 /nfs/dbraw/zinc/24/95/24/606249524.db2.gz FJOKKBODYIUBEX-LLVKDONJSA-N -1 3 367.438 2.709 20 30 FFEDHM COc1ccc2c(c1)OC(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)C2=O ZINC000821849431 606429171 /nfs/dbraw/zinc/42/91/71/606429171.db2.gz IIEUYPDCFFNIOD-LZYBPNLTSA-N -1 3 350.334 2.500 20 30 FFEDHM COc1ccc2c(c1)OC(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)C2=O ZINC000821849431 606429173 /nfs/dbraw/zinc/42/91/73/606429173.db2.gz IIEUYPDCFFNIOD-LZYBPNLTSA-N -1 3 350.334 2.500 20 30 FFEDHM N#Cc1c(F)cccc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822818494 606481249 /nfs/dbraw/zinc/48/12/49/606481249.db2.gz ABXFCQOVHDJOAP-UHFFFAOYSA-N -1 3 363.400 2.958 20 30 FFEDHM N#Cc1c(F)cccc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822818494 606481250 /nfs/dbraw/zinc/48/12/50/606481250.db2.gz ABXFCQOVHDJOAP-UHFFFAOYSA-N -1 3 363.400 2.958 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000819745453 606629408 /nfs/dbraw/zinc/62/94/08/606629408.db2.gz DLGUZHLAAOGFCS-ROUUACIJSA-N -1 3 366.469 2.603 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000819745453 606629409 /nfs/dbraw/zinc/62/94/09/606629409.db2.gz DLGUZHLAAOGFCS-ROUUACIJSA-N -1 3 366.469 2.603 20 30 FFEDHM C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502400 606684892 /nfs/dbraw/zinc/68/48/92/606684892.db2.gz QTSRFHGMVAKEGM-VIFPVBQESA-N -1 3 355.304 2.935 20 30 FFEDHM C[C@H](OC(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502400 606684893 /nfs/dbraw/zinc/68/48/93/606684893.db2.gz QTSRFHGMVAKEGM-VIFPVBQESA-N -1 3 355.304 2.935 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)CCC#N)cc1 ZINC000822136133 606787970 /nfs/dbraw/zinc/78/79/70/606787970.db2.gz JHJRPKQSTNYGBE-UHFFFAOYSA-N -1 3 362.393 2.953 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(C)CCC#N)cc1 ZINC000822136133 606787972 /nfs/dbraw/zinc/78/79/72/606787972.db2.gz JHJRPKQSTNYGBE-UHFFFAOYSA-N -1 3 362.393 2.953 20 30 FFEDHM CC[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820841786 606788726 /nfs/dbraw/zinc/78/87/26/606788726.db2.gz DNURQVZRMAZIOE-HNNXBMFYSA-N -1 3 362.393 2.999 20 30 FFEDHM CC[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820841786 606788729 /nfs/dbraw/zinc/78/87/29/606788729.db2.gz DNURQVZRMAZIOE-HNNXBMFYSA-N -1 3 362.393 2.999 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000822829822 606957737 /nfs/dbraw/zinc/95/77/37/606957737.db2.gz KRQBZQPYRSPIIO-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000822829822 606957739 /nfs/dbraw/zinc/95/77/39/606957739.db2.gz KRQBZQPYRSPIIO-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM CN(C(=O)Cc1cccc(C#N)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571840 606965055 /nfs/dbraw/zinc/96/50/55/606965055.db2.gz HUZQSDSPUFZPGG-UHFFFAOYSA-N -1 3 352.785 2.597 20 30 FFEDHM CN(C(=O)Cc1cccc(C#N)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571840 606965056 /nfs/dbraw/zinc/96/50/56/606965056.db2.gz HUZQSDSPUFZPGG-UHFFFAOYSA-N -1 3 352.785 2.597 20 30 FFEDHM C#CCCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000819692967 606988053 /nfs/dbraw/zinc/98/80/53/606988053.db2.gz LNHOQTLPSJKYHZ-UHFFFAOYSA-N -1 3 354.458 2.838 20 30 FFEDHM C#CCCCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000819692967 606988055 /nfs/dbraw/zinc/98/80/55/606988055.db2.gz LNHOQTLPSJKYHZ-UHFFFAOYSA-N -1 3 354.458 2.838 20 30 FFEDHM Fc1ccc(CNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1F ZINC000822772177 607147578 /nfs/dbraw/zinc/14/75/78/607147578.db2.gz SEQUXNJNLGSQFU-UHFFFAOYSA-N -1 3 353.336 2.750 20 30 FFEDHM Fc1ccc(CNN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1F ZINC000822772177 607147580 /nfs/dbraw/zinc/14/75/80/607147580.db2.gz SEQUXNJNLGSQFU-UHFFFAOYSA-N -1 3 353.336 2.750 20 30 FFEDHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000821772486 607238173 /nfs/dbraw/zinc/23/81/73/607238173.db2.gz BGXFKGYSMWCMBF-UHFFFAOYSA-N -1 3 362.393 2.663 20 30 FFEDHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000821772486 607238174 /nfs/dbraw/zinc/23/81/74/607238174.db2.gz BGXFKGYSMWCMBF-UHFFFAOYSA-N -1 3 362.393 2.663 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000823909375 607837090 /nfs/dbraw/zinc/83/70/90/607837090.db2.gz ATWAHFRZPOXJDD-MRXNPFEDSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000823909375 607837091 /nfs/dbraw/zinc/83/70/91/607837091.db2.gz ATWAHFRZPOXJDD-MRXNPFEDSA-N -1 3 370.457 2.522 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000826177062 607883504 /nfs/dbraw/zinc/88/35/04/607883504.db2.gz PYIJSTSSFJSLRB-HJWRWDBZSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000826177062 607883505 /nfs/dbraw/zinc/88/35/05/607883505.db2.gz PYIJSTSSFJSLRB-HJWRWDBZSA-N -1 3 366.377 2.789 20 30 FFEDHM C=C(C)[C@H](CC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC)OCC ZINC000823873464 607921017 /nfs/dbraw/zinc/92/10/17/607921017.db2.gz MJAMZICUHQSHKZ-LBPRGKRZSA-N -1 3 366.805 2.805 20 30 FFEDHM C=C(C)[C@H](CC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC)OCC ZINC000823873464 607921018 /nfs/dbraw/zinc/92/10/18/607921018.db2.gz MJAMZICUHQSHKZ-LBPRGKRZSA-N -1 3 366.805 2.805 20 30 FFEDHM COc1ccc(CON=C2CCOc3ccccc32)cc1-c1nnn[n-]1 ZINC000826206638 607972670 /nfs/dbraw/zinc/97/26/70/607972670.db2.gz FLSGFFVQSRKVEP-UHFFFAOYSA-N -1 3 351.366 2.579 20 30 FFEDHM COc1ccc(CON=C2CCOc3ccccc32)cc1-c1nn[n-]n1 ZINC000826206638 607972671 /nfs/dbraw/zinc/97/26/71/607972671.db2.gz FLSGFFVQSRKVEP-UHFFFAOYSA-N -1 3 351.366 2.579 20 30 FFEDHM N#Cc1ccc(Cl)cc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826385219 608053436 /nfs/dbraw/zinc/05/34/36/608053436.db2.gz BWSBUADWVJLLTG-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1ccc(Cl)cc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826385219 608053437 /nfs/dbraw/zinc/05/34/37/608053437.db2.gz BWSBUADWVJLLTG-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1-c1nnn[n-]1 ZINC000826385383 608064982 /nfs/dbraw/zinc/06/49/82/608064982.db2.gz JRBZHZJTIPXBOO-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1-c1nn[n-]n1 ZINC000826385383 608064983 /nfs/dbraw/zinc/06/49/83/608064983.db2.gz JRBZHZJTIPXBOO-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM CC(=NNC(=S)Nc1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823953755 608091808 /nfs/dbraw/zinc/09/18/08/608091808.db2.gz ONAQZYBNGQHVGZ-UHFFFAOYSA-N -1 3 361.431 2.778 20 30 FFEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000823961996 608094693 /nfs/dbraw/zinc/09/46/93/608094693.db2.gz CPNIRWZKIFRWOA-UHFFFAOYSA-N -1 3 356.415 2.822 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cccc(F)c1Cl ZINC000826383714 608219580 /nfs/dbraw/zinc/21/95/80/608219580.db2.gz NABXBHZLWOGZAI-UHFFFAOYSA-N -1 3 361.793 2.800 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1cccc(F)c1Cl ZINC000826383714 608219581 /nfs/dbraw/zinc/21/95/81/608219581.db2.gz NABXBHZLWOGZAI-UHFFFAOYSA-N -1 3 361.793 2.800 20 30 FFEDHM N#CCOc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826382222 608227453 /nfs/dbraw/zinc/22/74/53/608227453.db2.gz UMPQITUSUCXMIN-UHFFFAOYSA-N -1 3 357.377 2.929 20 30 FFEDHM N#CCOc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826382222 608227454 /nfs/dbraw/zinc/22/74/54/608227454.db2.gz UMPQITUSUCXMIN-UHFFFAOYSA-N -1 3 357.377 2.929 20 30 FFEDHM Clc1ccc2ncc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)n2c1 ZINC000826352666 608536750 /nfs/dbraw/zinc/53/67/50/608536750.db2.gz JPRJNHQVGOLOPV-UHFFFAOYSA-N -1 3 374.195 2.662 20 30 FFEDHM Clc1ccc2ncc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)n2c1 ZINC000826352666 608536752 /nfs/dbraw/zinc/53/67/52/608536752.db2.gz JPRJNHQVGOLOPV-UHFFFAOYSA-N -1 3 374.195 2.662 20 30 FFEDHM C#CCN(CC#C)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823844583 608708155 /nfs/dbraw/zinc/70/81/55/608708155.db2.gz BWDOHJSSWKNIEA-UHFFFAOYSA-N -1 3 357.417 2.514 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccccc1CC#N ZINC000823909571 609179420 /nfs/dbraw/zinc/17/94/20/609179420.db2.gz JOVGNUDZQATYDM-UHFFFAOYSA-N -1 3 372.432 2.690 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccccc1CC#N ZINC000823909571 609179421 /nfs/dbraw/zinc/17/94/21/609179421.db2.gz JOVGNUDZQATYDM-UHFFFAOYSA-N -1 3 372.432 2.690 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H]1CCCCO1 ZINC000823909801 609210285 /nfs/dbraw/zinc/21/02/85/609210285.db2.gz RCWHVAKWFDXASO-KRWDZBQOSA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H]1CCCCO1 ZINC000823909801 609210286 /nfs/dbraw/zinc/21/02/86/609210286.db2.gz RCWHVAKWFDXASO-KRWDZBQOSA-N -1 3 370.457 2.524 20 30 FFEDHM N#CC1(c2ccc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)cc2)CC1 ZINC000826379982 609234569 /nfs/dbraw/zinc/23/45/69/609234569.db2.gz JBNDWSPVEKOGMV-UHFFFAOYSA-N -1 3 356.389 2.625 20 30 FFEDHM N#CC1(c2ccc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)cc2)CC1 ZINC000826379982 609234570 /nfs/dbraw/zinc/23/45/70/609234570.db2.gz JBNDWSPVEKOGMV-UHFFFAOYSA-N -1 3 356.389 2.625 20 30 FFEDHM C=CC[C@H](C)[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823888725 609241820 /nfs/dbraw/zinc/24/18/20/609241820.db2.gz UXYOEFYEPYLSNV-UONOGXRCSA-N -1 3 356.474 2.840 20 30 FFEDHM C=CC[C@H](C)[C@@H](C)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823888725 609241821 /nfs/dbraw/zinc/24/18/21/609241821.db2.gz UXYOEFYEPYLSNV-UONOGXRCSA-N -1 3 356.474 2.840 20 30 FFEDHM C=C(C)CN(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823873923 609334763 /nfs/dbraw/zinc/33/47/63/609334763.db2.gz QHOSZIQWTFQTEW-UHFFFAOYSA-N -1 3 369.454 2.954 20 30 FFEDHM C=C(C)CN(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823873923 609334765 /nfs/dbraw/zinc/33/47/65/609334765.db2.gz QHOSZIQWTFQTEW-UHFFFAOYSA-N -1 3 369.454 2.954 20 30 FFEDHM N#CCC1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000826380745 609385624 /nfs/dbraw/zinc/38/56/24/609385624.db2.gz LGDIAOGWPIMRRC-UHFFFAOYSA-N -1 3 355.352 2.823 20 30 FFEDHM N#CCC1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000826380745 609385626 /nfs/dbraw/zinc/38/56/26/609385626.db2.gz LGDIAOGWPIMRRC-UHFFFAOYSA-N -1 3 355.352 2.823 20 30 FFEDHM C[C@H]1CC(=NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)NO1 ZINC000824894268 609392605 /nfs/dbraw/zinc/39/26/05/609392605.db2.gz XGUFKZCEPCSMAJ-NSHDSACASA-N -1 3 364.365 2.511 20 30 FFEDHM C[C@H]1CC(=NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)NO1 ZINC000824894268 609392606 /nfs/dbraw/zinc/39/26/06/609392606.db2.gz XGUFKZCEPCSMAJ-NSHDSACASA-N -1 3 364.365 2.511 20 30 FFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826456673 609424086 /nfs/dbraw/zinc/42/40/86/609424086.db2.gz RFGSSBAXWUIUAN-UHFFFAOYSA-N -1 3 360.402 2.908 20 30 FFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826456673 609424087 /nfs/dbraw/zinc/42/40/87/609424087.db2.gz RFGSSBAXWUIUAN-UHFFFAOYSA-N -1 3 360.402 2.908 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sccc1COC ZINC000823914344 609450252 /nfs/dbraw/zinc/45/02/52/609450252.db2.gz GUIDJQRRMWDYRR-UHFFFAOYSA-N -1 3 369.450 2.903 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sccc1COC ZINC000823914344 609450253 /nfs/dbraw/zinc/45/02/53/609450253.db2.gz GUIDJQRRMWDYRR-UHFFFAOYSA-N -1 3 369.450 2.903 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826333711 609474259 /nfs/dbraw/zinc/47/42/59/609474259.db2.gz RTLJUARLEMLBFT-UHFFFAOYSA-N -1 3 351.201 2.661 20 30 FFEDHM Cc1nn(C)c(Cl)c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826333711 609474261 /nfs/dbraw/zinc/47/42/61/609474261.db2.gz RTLJUARLEMLBFT-UHFFFAOYSA-N -1 3 351.201 2.661 20 30 FFEDHM Cc1ccc(CCCSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000826287214 609484603 /nfs/dbraw/zinc/48/46/03/609484603.db2.gz HNIMSVFPBUOKCI-UHFFFAOYSA-N -1 3 351.439 2.749 20 30 FFEDHM Cc1ccc(CCCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000826287214 609484606 /nfs/dbraw/zinc/48/46/06/609484606.db2.gz HNIMSVFPBUOKCI-UHFFFAOYSA-N -1 3 351.439 2.749 20 30 FFEDHM Cc1ccnc(NCCSCc2ccccc2C#N)c1-c1nnn[n-]1 ZINC000826314490 609523941 /nfs/dbraw/zinc/52/39/41/609523941.db2.gz ZLLMHVVTARNKRI-UHFFFAOYSA-N -1 3 351.439 2.787 20 30 FFEDHM Cc1ccnc(NCCSCc2ccccc2C#N)c1-c1nn[n-]n1 ZINC000826314490 609523942 /nfs/dbraw/zinc/52/39/42/609523942.db2.gz ZLLMHVVTARNKRI-UHFFFAOYSA-N -1 3 351.439 2.787 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000824777628 609602139 /nfs/dbraw/zinc/60/21/39/609602139.db2.gz KVVGSMKWQGBPNE-UHFFFAOYSA-N -1 3 356.434 2.581 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC(C)(C#N)CC1 ZINC000824777628 609602143 /nfs/dbraw/zinc/60/21/43/609602143.db2.gz KVVGSMKWQGBPNE-UHFFFAOYSA-N -1 3 356.434 2.581 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823894209 609611661 /nfs/dbraw/zinc/61/16/61/609611661.db2.gz KCLHJJGKOYWUHG-CYBMUJFWSA-N -1 3 365.441 2.835 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823894209 609611662 /nfs/dbraw/zinc/61/16/62/609611662.db2.gz KCLHJJGKOYWUHG-CYBMUJFWSA-N -1 3 365.441 2.835 20 30 FFEDHM C=CCOc1cccnc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823931673 609616563 /nfs/dbraw/zinc/61/65/63/609616563.db2.gz CWIYAEHJLRDDEL-UHFFFAOYSA-N -1 3 371.784 2.837 20 30 FFEDHM C=CCOc1cccnc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823931673 609616564 /nfs/dbraw/zinc/61/65/64/609616564.db2.gz CWIYAEHJLRDDEL-UHFFFAOYSA-N -1 3 371.784 2.837 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC2=CCCC2)ccc1F ZINC000160184936 728918498 /nfs/dbraw/zinc/91/84/98/728918498.db2.gz ZHFDRVOTMUEHJM-UHFFFAOYSA-N -1 3 352.431 2.520 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)cc(F)c2)ccc1F ZINC000029010621 727889120 /nfs/dbraw/zinc/88/91/20/727889120.db2.gz FYATXLWCLRXFMO-UHFFFAOYSA-N -1 3 370.352 2.821 20 30 FFEDHM CC(=O)[C@@H]1CC(C([O-])=C(C#N)c2nc(C)cs2)=NN1c1ccccc1 ZINC000073087284 728217621 /nfs/dbraw/zinc/21/76/21/728217621.db2.gz OADZWHXUOXIZCZ-ZBFHGGJFSA-N -1 3 352.419 2.852 20 30 FFEDHM C=CCn1c(-c2sc(NC(=O)c3cn[nH]c3C)nc2C)n[n-]c1=S ZINC000171827234 729014120 /nfs/dbraw/zinc/01/41/20/729014120.db2.gz IZMQWRDWNYJNQG-UHFFFAOYSA-N -1 3 361.456 2.842 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC2(CC#N)CC2)ccc1F ZINC000174744782 729078146 /nfs/dbraw/zinc/07/81/46/729078146.db2.gz OOXXHAXGDZNFIK-UHFFFAOYSA-N -1 3 368.430 2.753 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC2(C)C)ccc1F ZINC000174945809 729083349 /nfs/dbraw/zinc/08/33/49/729083349.db2.gz QWKUIJWWOQWVGZ-HNNXBMFYSA-N -1 3 354.447 2.599 20 30 FFEDHM O=c1[nH]c2ccccc2n1CC/N=C/c1cc(Br)ccc1[O-] ZINC000175900847 729103857 /nfs/dbraw/zinc/10/38/57/729103857.db2.gz ZPGVLYGZPVKKHJ-VCHYOVAHSA-N -1 3 360.211 2.917 20 30 FFEDHM C=CCC1(NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCOCC1 ZINC000640301654 730141143 /nfs/dbraw/zinc/14/11/43/730141143.db2.gz DXBXHTMFPMLQCQ-UHFFFAOYSA-N -1 3 366.771 2.768 20 30 FFEDHM C#CC[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000859426560 730454417 /nfs/dbraw/zinc/45/44/17/730454417.db2.gz JGHNDBKPYLWCAD-SNVBAGLBSA-N -1 3 355.765 2.675 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651747101 731124989 /nfs/dbraw/zinc/12/49/89/731124989.db2.gz QTRBQYPDPBXMRD-UWVGGRQHSA-N -1 3 366.302 2.688 20 30 FFEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)C[C@H](C)CC(F)(F)F)C(=O)OCC ZINC000867588592 731203428 /nfs/dbraw/zinc/20/34/28/731203428.db2.gz FNIKSLKCEUHPTR-SCZZXKLOSA-N -1 3 365.801 2.569 20 30 FFEDHM COc1cccc(Br)c1CS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000872004893 731716691 /nfs/dbraw/zinc/71/66/91/731716691.db2.gz OMMIOBDKMJJKQB-CQSZACIVSA-N -1 3 373.272 2.569 20 30 FFEDHM Cc1cc(C)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1Br ZINC000879288206 732678795 /nfs/dbraw/zinc/67/87/95/732678795.db2.gz SXLIVBUFXQLPEV-LLVKDONJSA-N -1 3 356.220 2.568 20 30 FFEDHM C=CCC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000883215422 733351817 /nfs/dbraw/zinc/35/18/17/733351817.db2.gz YKFOSYKLYSXGFU-WMLDXEAASA-N -1 3 354.472 2.992 20 30 FFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(N)cc1Cl ZINC000782906601 738762791 /nfs/dbraw/zinc/76/27/91/738762791.db2.gz MYSJWAFDBXMVDJ-UHFFFAOYSA-N -1 3 351.859 2.808 20 30 FFEDHM COC(=O)[C@@H](CC1CCOCC1)/N=C/c1cc(Br)ccc1[O-] ZINC000887268091 733902638 /nfs/dbraw/zinc/90/26/38/733902638.db2.gz BSYPDGXXHXLHDF-YFEUJDIGSA-N -1 3 370.243 2.932 20 30 FFEDHM C=CCN(CC=C)C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730364483 734633684 /nfs/dbraw/zinc/63/36/84/734633684.db2.gz HEMNHTVZPRPYLK-UHFFFAOYSA-N -1 3 354.200 2.512 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1F ZINC000784064193 738859421 /nfs/dbraw/zinc/85/94/21/738859421.db2.gz JWBMMPHNBMLKJZ-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cn1 ZINC000906984958 736568602 /nfs/dbraw/zinc/56/86/02/736568602.db2.gz BRKRESVCENAFHY-UHFFFAOYSA-N -1 3 360.464 2.720 20 30 FFEDHM CC(C)(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000908403432 736771163 /nfs/dbraw/zinc/77/11/63/736771163.db2.gz OZTRUBUXPACBFL-CYBMUJFWSA-N -1 3 369.259 2.514 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908752018 736826023 /nfs/dbraw/zinc/82/60/23/736826023.db2.gz INXJKGYISGGFDS-CVEARBPZSA-N -1 3 367.877 2.747 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C1CC1 ZINC000764587314 737032589 /nfs/dbraw/zinc/03/25/89/737032589.db2.gz GBITWJUARPYMFC-WFASDCNBSA-N -1 3 364.467 2.626 20 30 FFEDHM [O-]c1ccc(Br)cc1C=NNC(=S)Nc1ccccn1 ZINC000767804744 737370124 /nfs/dbraw/zinc/37/01/24/737370124.db2.gz WWKQQHQTPMKPJM-UHFFFAOYSA-N -1 3 351.229 2.870 20 30 FFEDHM CCOc1cc(C=NNS(=O)(=O)Cc2ccccc2)cc(Cl)c1[O-] ZINC000920384104 737904315 /nfs/dbraw/zinc/90/43/15/737904315.db2.gz VACKOKZDSILPKN-UHFFFAOYSA-N -1 3 368.842 2.898 20 30 FFEDHM COc1cc(C)cc2c1OCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920384602 737904406 /nfs/dbraw/zinc/90/44/06/737904406.db2.gz YSSJFFMZVWKDQB-UHFFFAOYSA-N -1 3 360.435 2.610 20 30 FFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000773836438 737938407 /nfs/dbraw/zinc/93/84/07/737938407.db2.gz NJPWKEZUGRZMMB-HNNXBMFYSA-N -1 3 361.394 2.599 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(CC(F)F)n1 ZINC000789403321 739348946 /nfs/dbraw/zinc/34/89/46/739348946.db2.gz LDXOGRPGJOLASE-SECBINFHSA-N -1 3 352.728 2.763 20 30 FFEDHM C[C@@H](NC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1Cl ZINC000811188401 741492145 /nfs/dbraw/zinc/49/21/45/741492145.db2.gz IRFXJHGXARUPNJ-LLVKDONJSA-N -1 3 358.781 2.951 20 30 FFEDHM C=CCCCS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000813670113 741746589 /nfs/dbraw/zinc/74/65/89/741746589.db2.gz OZWQSYAPFSDOSG-ZDUSSCGKSA-N -1 3 371.808 2.976 20 30 FFEDHM CCC(CC)N(CC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813857482 741769081 /nfs/dbraw/zinc/76/90/81/741769081.db2.gz VCCKYCRUKUSECV-ZDUSSCGKSA-N -1 3 365.499 2.541 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1COc2cccc(Cl)c21 ZINC000814858996 741870332 /nfs/dbraw/zinc/87/03/32/741870332.db2.gz LAXQRCBPHBYVNX-UHFFFAOYSA-N -1 3 350.827 2.599 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCC[C@H]1[C@H]1CCOC1 ZINC000814859003 741870542 /nfs/dbraw/zinc/87/05/42/741870542.db2.gz LHNMIEJRHNBDKA-IRXDYDNUSA-N -1 3 350.484 2.731 20 30 FFEDHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820143947 742467543 /nfs/dbraw/zinc/46/75/43/742467543.db2.gz PLDKWKARXYJQRW-NSHDSACASA-N -1 3 370.192 2.677 20 30 FFEDHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820482517 742510605 /nfs/dbraw/zinc/51/06/05/742510605.db2.gz MCFDTKISUKSEGX-OCCSQVGLSA-N -1 3 358.360 2.771 20 30 FFEDHM CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820482854 742510709 /nfs/dbraw/zinc/51/07/09/742510709.db2.gz SNVOHNLBBAZVAW-RISCZKNCSA-N -1 3 369.259 2.514 20 30 FFEDHM C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001041756663 743057017 /nfs/dbraw/zinc/05/70/17/743057017.db2.gz HRPOMDJEDROJNR-MWLCHTKSSA-N -1 3 362.842 2.628 20 30 FFEDHM C#CCOc1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000827851397 744990550 /nfs/dbraw/zinc/99/05/50/744990550.db2.gz UJPUZOMPGGHGOZ-CJNGLKHVSA-N -1 3 354.372 2.588 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn(C2CCC2)nn1 ZINC000842689842 747660047 /nfs/dbraw/zinc/66/00/47/747660047.db2.gz IHSCPFNDYDXISM-LLVKDONJSA-N -1 3 361.764 2.757 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CCC(C)(C)C)ccc1F ZINC000843684014 747875619 /nfs/dbraw/zinc/87/56/19/747875619.db2.gz QZKMNAIDHQFULK-UHFFFAOYSA-N -1 3 356.463 2.798 20 30 FFEDHM Cc1cc(OCc2ccccc2)c(C(=O)N[C@@H]2CCCN([O-])C2=O)s1 ZINC000848131558 748850272 /nfs/dbraw/zinc/85/02/72/748850272.db2.gz IQDJPRSMEKENKI-CQSZACIVSA-N -1 3 360.435 2.746 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Br)c2ccccc2c1 ZINC000848131501 748850549 /nfs/dbraw/zinc/85/05/49/748850549.db2.gz HREQZPQXFKLNNA-AWEZNQCLSA-N -1 3 363.211 2.712 20 30 FFEDHM CCOc1cc(C=NNCCCn2ccnc2)cc(Br)c1[O-] ZINC000848418320 748921434 /nfs/dbraw/zinc/92/14/34/748921434.db2.gz IJQTUUJMDNSJDA-UHFFFAOYSA-N -1 3 367.247 2.764 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)n2)c(F)c1 ZINC000502863487 814302613 /nfs/dbraw/zinc/30/26/13/814302613.db2.gz RCYRVWFNURIJNJ-UHFFFAOYSA-N -1 3 365.303 2.546 20 30 FFEDHM C=CCOc1ccc(C=CC(=O)N2CCCc3c(=O)[n-]cnc32)cc1OC ZINC000893214361 970979885 /nfs/dbraw/zinc/97/98/85/970979885.db2.gz NGBYJRPJCGWWEJ-VQHVLOKHSA-N -1 3 367.405 2.748 20 30 FFEDHM CCc1cccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c[nH]c21 ZINC000736695832 944871218 /nfs/dbraw/zinc/87/12/18/944871218.db2.gz PSQFBCQMAICAEK-UHFFFAOYSA-N -1 3 371.404 2.963 20 30 FFEDHM CCc1cccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c[nH]c21 ZINC000736695832 944871229 /nfs/dbraw/zinc/87/12/29/944871229.db2.gz PSQFBCQMAICAEK-UHFFFAOYSA-N -1 3 371.404 2.963 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823894113 946501032 /nfs/dbraw/zinc/50/10/32/946501032.db2.gz HURGRXSYFNAYTF-WMLDXEAASA-N -1 3 370.457 2.694 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823894113 946501043 /nfs/dbraw/zinc/50/10/43/946501043.db2.gz HURGRXSYFNAYTF-WMLDXEAASA-N -1 3 370.457 2.694 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823903469 946509749 /nfs/dbraw/zinc/50/97/49/946509749.db2.gz BIHZNJPESCRBIX-UHFFFAOYSA-N -1 3 356.361 2.861 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823903469 946509759 /nfs/dbraw/zinc/50/97/59/946509759.db2.gz BIHZNJPESCRBIX-UHFFFAOYSA-N -1 3 356.361 2.861 20 30 FFEDHM C#CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573287732 946848059 /nfs/dbraw/zinc/84/80/59/946848059.db2.gz FAQYGIAHJSZKGO-ZWKOTPCHSA-N -1 3 359.389 2.621 20 30 FFEDHM C#CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573287732 946848074 /nfs/dbraw/zinc/84/80/74/946848074.db2.gz FAQYGIAHJSZKGO-ZWKOTPCHSA-N -1 3 359.389 2.621 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573293150 946949379 /nfs/dbraw/zinc/94/93/79/946949379.db2.gz NDZKCHIUTKNJMV-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573293150 946949385 /nfs/dbraw/zinc/94/93/85/946949385.db2.gz NDZKCHIUTKNJMV-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573305243 947151959 /nfs/dbraw/zinc/15/19/59/947151959.db2.gz OHCVTXHLOBXGGD-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573305243 947151966 /nfs/dbraw/zinc/15/19/66/947151966.db2.gz OHCVTXHLOBXGGD-HNNXBMFYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573306304 947170542 /nfs/dbraw/zinc/17/05/42/947170542.db2.gz JNXMMOHXFXQAFF-RBUKOAKNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573306304 947170548 /nfs/dbraw/zinc/17/05/48/947170548.db2.gz JNXMMOHXFXQAFF-RBUKOAKNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCC1(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CCC1 ZINC001573326652 947378100 /nfs/dbraw/zinc/37/81/00/947378100.db2.gz SRUSGFQGXAXCSY-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CCC1 ZINC001573326652 947378114 /nfs/dbraw/zinc/37/81/14/947378114.db2.gz SRUSGFQGXAXCSY-CYBMUJFWSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(O)CCN(c2cc(Br)ccc2-c2nnn[n-]2)CC1 ZINC001573329509 947420491 /nfs/dbraw/zinc/42/04/91/947420491.db2.gz KLPFOSWEFYHQFM-UHFFFAOYSA-N -1 3 364.247 2.537 20 30 FFEDHM C=CCC1(O)CCN(c2cc(Br)ccc2-c2nn[n-]n2)CC1 ZINC001573329509 947420494 /nfs/dbraw/zinc/42/04/94/947420494.db2.gz KLPFOSWEFYHQFM-UHFFFAOYSA-N -1 3 364.247 2.537 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001573350764 947604092 /nfs/dbraw/zinc/60/40/92/947604092.db2.gz GDXOYMHWPKEIGY-ZJUUUORDSA-N -1 3 359.455 2.682 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001573350764 947604096 /nfs/dbraw/zinc/60/40/96/947604096.db2.gz GDXOYMHWPKEIGY-ZJUUUORDSA-N -1 3 359.455 2.682 20 30 FFEDHM CC#CCN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001573358144 947658118 /nfs/dbraw/zinc/65/81/18/947658118.db2.gz GPHRDOUHNVGZQF-UHFFFAOYSA-N -1 3 366.450 2.760 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000127042636 971918058 /nfs/dbraw/zinc/91/80/58/971918058.db2.gz QHZIOQWRQOVSDP-OAHLLOKOSA-N -1 3 353.334 2.873 20 30 FFEDHM COc1cc(C(=O)/C=C\c2cnc3c(c2)c(C)nn3C)c(OC)cc1[O-] ZINC000254949585 959584609 /nfs/dbraw/zinc/58/46/09/959584609.db2.gz SAUZESOFHQNSHZ-WAYWQWQTSA-N -1 3 353.378 2.896 20 30 FFEDHM N#CCc1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000785163896 967240639 /nfs/dbraw/zinc/24/06/39/967240639.db2.gz FIXVPPVJNSNFCV-GOSISDBHSA-N -1 3 364.401 2.806 20 30 FFEDHM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(OCC)cc1[O-] ZINC001271003093 967937588 /nfs/dbraw/zinc/93/75/88/967937588.db2.gz ZFPYNNBHTOVHFF-HXUWFJFHSA-N -1 3 358.438 2.574 20 30 FFEDHM C=C(Cl)CN1CC[C@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)[C@H]1CC ZINC001087681583 968587441 /nfs/dbraw/zinc/58/74/41/968587441.db2.gz FBUSJRAOWOYHOV-UONOGXRCSA-N -1 3 366.893 2.949 20 30 FFEDHM C=C(C)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001087426064 975373112 /nfs/dbraw/zinc/37/31/12/975373112.db2.gz JJJQKYKUZYYBFS-QZTJIDSGSA-N -1 3 351.450 2.951 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)ccc1C#N ZINC001211769270 977859321 /nfs/dbraw/zinc/85/93/21/977859321.db2.gz LCTHGWGYTQGZMV-UHFFFAOYSA-N -1 3 372.233 2.747 20 30 FFEDHM C=CCN1CC[C@@]2(CCN(C(=O)c3ccc([O-])c4ccccc34)C2)C1=O ZINC001271970853 979378456 /nfs/dbraw/zinc/37/84/56/979378456.db2.gz OUMVHQPZUKCVIU-NRFANRHFSA-N -1 3 350.418 2.796 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000985751601 979411260 /nfs/dbraw/zinc/41/12/60/979411260.db2.gz XCBNLIMXWYDSSI-CVEARBPZSA-N -1 3 356.466 2.915 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2 ZINC000763930843 983948526 /nfs/dbraw/zinc/94/85/26/983948526.db2.gz OLYMQQBYGLNUGK-HNNXBMFYSA-N -1 3 366.421 2.752 20 30 FFEDHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1cccc(C#N)c1 ZINC000913296128 984234547 /nfs/dbraw/zinc/23/45/47/984234547.db2.gz KPLDHANYZGICRK-LLVKDONJSA-N -1 3 350.334 2.725 20 30 FFEDHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000913296128 984234553 /nfs/dbraw/zinc/23/45/53/984234553.db2.gz KPLDHANYZGICRK-LLVKDONJSA-N -1 3 350.334 2.725 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCOC12CCCCC2 ZINC000888301333 985051577 /nfs/dbraw/zinc/05/15/77/985051577.db2.gz OVOQYWORIUTMMH-QGZVFWFLSA-N -1 3 357.454 2.816 20 30 FFEDHM COc1ccccc1-c1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000878693919 1015171483 /nfs/dbraw/zinc/17/14/83/1015171483.db2.gz JUCDPLRPDMQOKC-MRXNPFEDSA-N -1 3 355.394 2.864 20 30 FFEDHM CCCCc1nc(NC(=O)c2cnn(CCC#N)c2C)c(C(=O)OCC)[n-]1 ZINC001128073057 986444176 /nfs/dbraw/zinc/44/41/76/986444176.db2.gz DGNOTUZVDGXNAO-UHFFFAOYSA-N -1 3 372.429 2.600 20 30 FFEDHM CCOC(=O)c1ccc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nc1 ZINC001127332150 988064898 /nfs/dbraw/zinc/06/48/98/988064898.db2.gz WTWDPRMWURUKPQ-UHFFFAOYSA-N -1 3 374.740 2.944 20 30 FFEDHM COc1cc(C=NNCc2cccc3cccnc32)c([N+](=O)[O-])cc1[O-] ZINC000915963034 989721364 /nfs/dbraw/zinc/72/13/64/989721364.db2.gz MECSETNJHFSLQJ-UHFFFAOYSA-N -1 3 352.350 2.981 20 30 FFEDHM CCCc1c(NC(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1cccc(C)c1 ZINC000879387346 1015507411 /nfs/dbraw/zinc/50/74/11/1015507411.db2.gz LYVOYZKGLQLYNX-HNNXBMFYSA-N -1 3 371.441 2.635 20 30 FFEDHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cnn(-c3ncccc3C#N)c2)cc1 ZINC000763383096 989845443 /nfs/dbraw/zinc/84/54/43/989845443.db2.gz VITFWJIVRRCNRH-NTMALXAHSA-N -1 3 365.418 2.860 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000154539663 990282812 /nfs/dbraw/zinc/28/28/12/990282812.db2.gz TVSFCUUHUBIVIP-HNNXBMFYSA-N -1 3 371.462 2.893 20 30 FFEDHM C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001079433030 992113728 /nfs/dbraw/zinc/11/37/28/992113728.db2.gz FYZSFZZTANFRJK-FZKQIMNGSA-N -1 3 353.397 2.653 20 30 FFEDHM CC(C)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000811188028 995052623 /nfs/dbraw/zinc/05/26/23/995052623.db2.gz SXEGQIITSXRIQE-LBTNJELSSA-N -1 3 358.438 2.950 20 30 FFEDHM CCCC[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cc(C)on1 ZINC000811188600 995053322 /nfs/dbraw/zinc/05/33/22/995053322.db2.gz PVGVYCKWNKQXHB-OAHLLOKOSA-N -1 3 357.366 2.915 20 30 FFEDHM C#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000812747765 995523321 /nfs/dbraw/zinc/52/33/21/995523321.db2.gz HMDCREHTNXNMBD-MSOLQXFVSA-N -1 3 366.392 2.627 20 30 FFEDHM C[C@H]1CCCN(c2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)ccn2)C1 ZINC000813061185 995608026 /nfs/dbraw/zinc/60/80/26/995608026.db2.gz DLQXSBDQAUQRMK-HOCLYGCPSA-N -1 3 363.421 2.674 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2ccc(-c3nnc4n3CCCC4)cc2)c1[O-] ZINC000731318599 997836192 /nfs/dbraw/zinc/83/61/92/997836192.db2.gz IVTHITIDISFMAS-UHFFFAOYSA-N -1 3 363.421 2.933 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(N)c3)no2)ccc1F ZINC000731797604 998240924 /nfs/dbraw/zinc/24/09/24/998240924.db2.gz CBOLPCGZHXGECA-UHFFFAOYSA-N -1 3 374.397 2.589 20 30 FFEDHM C[C@H](NC(=O)c1cccs1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845837603 998670432 /nfs/dbraw/zinc/67/04/32/998670432.db2.gz BCYPNEYTVJCQQZ-DZGCQCFKSA-N -1 3 366.442 2.876 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000733809714 999074964 /nfs/dbraw/zinc/07/49/64/999074964.db2.gz FJVJDOWTQOWNRC-CYBMUJFWSA-N -1 3 354.362 2.732 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CC2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000737443295 999601256 /nfs/dbraw/zinc/60/12/56/999601256.db2.gz JDZXYJLYYLKSFH-XKZIYDEJSA-N -1 3 367.449 2.559 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(C#N)cc1 ZINC000740212045 999663944 /nfs/dbraw/zinc/66/39/44/999663944.db2.gz GFZWAGRQBDHEEW-MRXNPFEDSA-N -1 3 351.318 2.612 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(C#N)cc1 ZINC000740212045 999663945 /nfs/dbraw/zinc/66/39/45/999663945.db2.gz GFZWAGRQBDHEEW-MRXNPFEDSA-N -1 3 351.318 2.612 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]CC=C)c2)c1 ZINC000103031489 1000010408 /nfs/dbraw/zinc/01/04/08/1000010408.db2.gz DMKAMCBCZWGPGM-UHFFFAOYSA-N -1 3 372.421 2.548 20 30 FFEDHM CCOc1cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)ccc1O ZINC000769811704 1000610155 /nfs/dbraw/zinc/61/01/55/1000610155.db2.gz CLVVNUIKDTZIPQ-UHFFFAOYSA-N -1 3 370.413 2.837 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(cc[nH]c2=O)c1 ZINC001146644475 1000722293 /nfs/dbraw/zinc/72/22/93/1000722293.db2.gz VBQHEYRWZAPNFT-UHFFFAOYSA-N -1 3 362.389 2.689 20 30 FFEDHM Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001148043084 1001029306 /nfs/dbraw/zinc/02/93/06/1001029306.db2.gz JAXZZSKKFCWMOQ-UHFFFAOYSA-N -1 3 357.370 2.597 20 30 FFEDHM CCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000771262746 1001065235 /nfs/dbraw/zinc/06/52/35/1001065235.db2.gz WGQAHJFZYJJHID-LLVKDONJSA-N -1 3 374.828 2.914 20 30 FFEDHM CCc1cc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc(CC)c1C#N ZINC001182972713 1002123292 /nfs/dbraw/zinc/12/32/92/1002123292.db2.gz YKIUYFZFIABHEZ-UHFFFAOYSA-N -1 3 351.406 2.757 20 30 FFEDHM Cc1cc(S(N)(=O)=O)cc(C(=O)N([O-])Cc2ccccc2Cl)c1C ZINC001184283805 1002562143 /nfs/dbraw/zinc/56/21/43/1002562143.db2.gz QVBFYNMUKKEPES-UHFFFAOYSA-N -1 3 368.842 2.636 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CC[C@H]2CCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000780150733 1016679791 /nfs/dbraw/zinc/67/97/91/1016679791.db2.gz YKAAYCMCDOBQAP-PZUDMAOCSA-N -1 3 363.458 2.796 20 30 FFEDHM N#Cc1cc(NC(=O)c2ncccc2I)ccc1[O-] ZINC001191691340 1003931454 /nfs/dbraw/zinc/93/14/54/1003931454.db2.gz RSDBLNHGNPJUGY-UHFFFAOYSA-N -1 3 365.130 2.516 20 30 FFEDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2F)c1 ZINC001197107742 1004087220 /nfs/dbraw/zinc/08/72/20/1004087220.db2.gz WIYSIIZYPHFOET-CMDGGOBGSA-N -1 3 360.366 2.684 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)C(O)(c1ccccc1)c1ccccc1 ZINC001193170176 1004396592 /nfs/dbraw/zinc/39/65/92/1004396592.db2.gz GYOMRHICQIUGHP-LPHOPBHVSA-N -1 3 372.490 2.779 20 30 FFEDHM N#Cc1cc(C(=O)NCCN2CCC(Cc3ccccc3)CC2)ccc1[O-] ZINC001193512602 1004507148 /nfs/dbraw/zinc/50/71/48/1004507148.db2.gz PKRWHUWTCHDADI-UHFFFAOYSA-N -1 3 363.461 2.948 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC001198244406 1004549087 /nfs/dbraw/zinc/54/90/87/1004549087.db2.gz JQJPJUGASFEBKT-WKEGUHRASA-N -1 3 367.780 2.881 20 30 FFEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cnc(OCC2CCOCC2)nc1 ZINC001198936250 1004786092 /nfs/dbraw/zinc/78/60/92/1004786092.db2.gz HPHMLPVVDJKXSX-UHFFFAOYSA-N -1 3 374.347 2.684 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(C(F)(F)F)nn1CC1CC1 ZINC001199594721 1004980796 /nfs/dbraw/zinc/98/07/96/1004980796.db2.gz ZWOBQOCWMKWOTO-UHFFFAOYSA-N -1 3 367.331 2.751 20 30 FFEDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(F)c1F ZINC001201322291 1005200089 /nfs/dbraw/zinc/20/00/89/1005200089.db2.gz HYHACHCXBKZWOZ-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1cc2cccn2cn1 ZINC001201381275 1005207818 /nfs/dbraw/zinc/20/78/18/1005207818.db2.gz BNJIKICDJSACQG-UHFFFAOYSA-N -1 3 364.283 2.799 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2ncccc2OCc2ccccc2)CCCC1 ZINC001201899534 1005281205 /nfs/dbraw/zinc/28/12/05/1005281205.db2.gz JHQRNGBXEZGYPD-UHFFFAOYSA-N -1 3 357.435 2.775 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cccc2ncccc21 ZINC000776273554 1005339977 /nfs/dbraw/zinc/33/99/77/1005339977.db2.gz HUBDTSIRMUFTQN-LBPRGKRZSA-N -1 3 361.357 2.996 20 30 FFEDHM C[C@H](NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000776274412 1005340191 /nfs/dbraw/zinc/34/01/91/1005340191.db2.gz NJVMPOUGIJKJAR-RYUDHWBXSA-N -1 3 356.353 2.826 20 30 FFEDHM COCc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000850759872 1005837254 /nfs/dbraw/zinc/83/72/54/1005837254.db2.gz SCJWYNNBAZESEK-CYBMUJFWSA-N -1 3 374.418 2.873 20 30 FFEDHM N#CC(C(=O)C=Cc1ccc(C(N)=O)o1)=C([O-])c1cc2c(s1)CCCC2 ZINC000853131512 1006308365 /nfs/dbraw/zinc/30/83/65/1006308365.db2.gz JDVRLGKAGFKVCQ-VGVVRCBHSA-N -1 3 368.414 2.924 20 30 FFEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1ccc(C(N)=O)o1 ZINC000853131512 1006308375 /nfs/dbraw/zinc/30/83/75/1006308375.db2.gz JDVRLGKAGFKVCQ-VGVVRCBHSA-N -1 3 368.414 2.924 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ncn(-c3ccccc3)n2)cc1 ZINC000131212055 1006702595 /nfs/dbraw/zinc/70/25/95/1006702595.db2.gz JQGXNWPOFNWGCG-KRWDZBQOSA-N -1 3 359.389 2.791 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc(C(F)(F)F)c(C#N)c1 ZINC000815907710 1006819957 /nfs/dbraw/zinc/81/99/57/1006819957.db2.gz IEWUKQNGNUOMMY-CYBMUJFWSA-N -1 3 358.279 2.933 20 30 FFEDHM C#CCC1(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])CCCCC1 ZINC000854456455 1006838860 /nfs/dbraw/zinc/83/88/60/1006838860.db2.gz UTAOFSJIJOULEO-CABCVRRESA-N -1 3 357.454 2.840 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC001189135045 1006920288 /nfs/dbraw/zinc/92/02/88/1006920288.db2.gz UOSYHUAADDAYHD-WKEGUHRASA-N -1 3 351.712 2.716 20 30 FFEDHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1-c1cccc(C(C)C)c1 ZINC000816697217 1007169075 /nfs/dbraw/zinc/16/90/75/1007169075.db2.gz USAHAXWCQHHAJW-GOSISDBHSA-N -1 3 355.438 2.937 20 30 FFEDHM Cn1ncc2c1nc(SCc1ccc(C#N)cc1OC(F)F)[n-]c2=O ZINC001189738118 1007256653 /nfs/dbraw/zinc/25/66/53/1007256653.db2.gz PCXCOIQQVWVPSZ-UHFFFAOYSA-N -1 3 363.349 2.834 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCN(c3c(C#N)cnc4c(C)cccc43)CC2)n1 ZINC000884704494 1007512726 /nfs/dbraw/zinc/51/27/26/1007512726.db2.gz JAKUMOOLUONILJ-UHFFFAOYSA-N -1 3 360.421 2.546 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)n1 ZINC000884703960 1007513996 /nfs/dbraw/zinc/51/39/96/1007513996.db2.gz QFLOIWJEQHQVOI-UHFFFAOYSA-N -1 3 363.343 2.708 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)c1 ZINC001190664120 1007723219 /nfs/dbraw/zinc/72/32/19/1007723219.db2.gz BYNPHPHTVKLQHB-UHFFFAOYSA-N -1 3 359.426 2.645 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccccc3Cl)COC2)c1 ZINC001190678049 1007746241 /nfs/dbraw/zinc/74/62/41/1007746241.db2.gz ZHYQTDSWRGHJDT-UHFFFAOYSA-N -1 3 366.801 2.555 20 30 FFEDHM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)N[C@H]1CCN([O-])C1=O ZINC000820157474 1008294447 /nfs/dbraw/zinc/29/44/47/1008294447.db2.gz XZKBXORKUPTYJS-KRWDZBQOSA-N -1 3 374.824 2.568 20 30 FFEDHM COc1cccc(Nc2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000820482472 1008339830 /nfs/dbraw/zinc/33/98/30/1008339830.db2.gz KTGVCRICTQESFM-QGZVFWFLSA-N -1 3 355.394 2.549 20 30 FFEDHM N#Cc1cc(NC(=O)C2CCN(c3cc(Cl)ncn3)CC2)ccc1[O-] ZINC001177681491 1008703560 /nfs/dbraw/zinc/70/35/60/1008703560.db2.gz FMPAAOYYEBQNGR-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM N#Cc1cc(NC(=O)COc2c(F)c(F)c(F)c(F)c2F)ccc1[O-] ZINC001180159498 1009584037 /nfs/dbraw/zinc/58/40/37/1009584037.db2.gz XOSJTOAEVDQPJO-UHFFFAOYSA-N -1 3 358.222 2.977 20 30 FFEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001275351419 1012347317 /nfs/dbraw/zinc/34/73/17/1012347317.db2.gz QBOKTKHXRFOZHO-CQSZACIVSA-N -1 3 363.408 2.692 20 30 FFEDHM Cc1nsc(N2C[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@]3(C)C2)c1C#N ZINC001052186007 1017335636 /nfs/dbraw/zinc/33/56/36/1017335636.db2.gz WNIBPZPIPYECNS-ORAYPTAESA-N -1 3 368.462 2.627 20 30 FFEDHM CCOCc1nc(Cl)cc([N-]N=C2CCN(Cc3ccccc3)C2=O)n1 ZINC000901313310 1018944398 /nfs/dbraw/zinc/94/43/98/1018944398.db2.gz MAXYFOZYIVKVTR-UHFFFAOYSA-N -1 3 373.844 2.867 20 30 FFEDHM C#Cc1cccc(NC(=S)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000726465747 1020469948 /nfs/dbraw/zinc/46/99/48/1020469948.db2.gz QHSGTXMSQFFOHP-UHFFFAOYSA-N -1 3 365.458 2.528 20 30 FFEDHM Cc1nsc(N2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@@H]3C2)c1C#N ZINC001049221626 1020802139 /nfs/dbraw/zinc/80/21/39/1020802139.db2.gz YIANFSDPPCJREE-KGLIPLIRSA-N -1 3 368.462 2.627 20 30 FFEDHM Cc1c([O-])ccc2c(CN3CCC4(CC3)CC(=O)C=CO4)cc(=O)oc12 ZINC000933650540 1021059072 /nfs/dbraw/zinc/05/90/72/1021059072.db2.gz RAVHKCWTRVYZNB-UHFFFAOYSA-N -1 3 355.390 2.645 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCc2cc(F)ccc2C1 ZINC001122566111 1023342553 /nfs/dbraw/zinc/34/25/53/1023342553.db2.gz BUFDNIOGRVAGOV-UHFFFAOYSA-N -1 3 366.400 2.719 20 30 FFEDHM C=CCCCCCN(C)c1nnc(-c2c[n-]oc2=O)n1C[C@H]1CCOC1 ZINC001123057194 1023613635 /nfs/dbraw/zinc/61/36/35/1023613635.db2.gz YINUUUPELNYURC-CQSZACIVSA-N -1 3 361.446 2.858 20 30 FFEDHM COc1cccc(OCC2N=NC(=S)N2N=Cc2cc(F)ccc2[O-])c1 ZINC000755606842 1023614483 /nfs/dbraw/zinc/61/44/83/1023614483.db2.gz SBYXWJRZTDHVPD-UHFFFAOYSA-N -1 3 374.397 2.881 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)CC#Cc1cccnc1 ZINC001123061414 1023616273 /nfs/dbraw/zinc/61/62/73/1023616273.db2.gz HZHHJBXDKNNNLV-AWEZNQCLSA-N -1 3 363.417 2.977 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3cnn(C)c3C)n2C)c1[O-] ZINC001121439310 1023777063 /nfs/dbraw/zinc/77/70/63/1023777063.db2.gz ZKDVZVVRSUAJBH-UHFFFAOYSA-N -1 3 366.469 2.985 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001121601984 1023874524 /nfs/dbraw/zinc/87/45/24/1023874524.db2.gz LJRAMCFLSGXKIA-QGZVFWFLSA-N -1 3 374.395 2.740 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC[C@@H](SC)C1 ZINC001121606592 1023877242 /nfs/dbraw/zinc/87/72/42/1023877242.db2.gz AAIQKUWXZXXQJN-CYBMUJFWSA-N -1 3 360.487 2.657 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001121652686 1023905732 /nfs/dbraw/zinc/90/57/32/1023905732.db2.gz YGAGWYYAFFUSFY-MRXNPFEDSA-N -1 3 367.409 2.711 20 30 FFEDHM C=CCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000837043330 1025532315 /nfs/dbraw/zinc/53/23/15/1025532315.db2.gz OTJALLUKYIYKTJ-OAHLLOKOSA-N -1 3 368.433 2.934 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccn3c(Br)cnc23)ccc1[O-] ZINC001153227816 1027806126 /nfs/dbraw/zinc/80/61/26/1027806126.db2.gz SJFYMSAKWKKHKH-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3cc(F)c(C#N)cc3C)[n-]nc21 ZINC001154147316 1028165170 /nfs/dbraw/zinc/16/51/70/1028165170.db2.gz SNZSGQLUARVVMD-UHFFFAOYSA-N -1 3 352.325 2.921 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3cc(F)c(C#N)cc3C)n[n-]c21 ZINC001154147316 1028165178 /nfs/dbraw/zinc/16/51/78/1028165178.db2.gz SNZSGQLUARVVMD-UHFFFAOYSA-N -1 3 352.325 2.921 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3cc(C(F)(F)F)ccn3)cc(=O)c2c1 ZINC001154559462 1028353552 /nfs/dbraw/zinc/35/35/52/1028353552.db2.gz MKIQPYQRPIKSTB-UHFFFAOYSA-N -1 3 372.306 2.744 20 30 FFEDHM C=CCN(C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)C(C)C ZINC000783394588 1030076189 /nfs/dbraw/zinc/07/61/89/1030076189.db2.gz MIQWFAOXMAGQMP-UHFFFAOYSA-N -1 3 368.437 2.773 20 30 FFEDHM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nc1 ZINC000842686458 1030898757 /nfs/dbraw/zinc/89/87/57/1030898757.db2.gz NEMLMDBOZJPFCL-HNNXBMFYSA-N -1 3 365.389 2.998 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc2cc(Br)ncc2[nH]1 ZINC001151316130 1031918253 /nfs/dbraw/zinc/91/82/53/1031918253.db2.gz UQPDQKZAEJDERE-UHFFFAOYSA-N -1 3 374.198 2.765 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccn3ccnc3c2)c(C)c1[O-] ZINC001151330251 1031924252 /nfs/dbraw/zinc/92/42/52/1031924252.db2.gz MHIXOXUKUHKXDF-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)OC3=C(C)O[C@@H](C)C3=O)nc21 ZINC001223404062 1033430305 /nfs/dbraw/zinc/43/03/05/1033430305.db2.gz QDTJJRRUNYJFOK-HYORBCNSSA-N -1 3 368.748 2.904 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2[n-]c(=S)ncc2C2CC2)C1 ZINC001226117423 1034533152 /nfs/dbraw/zinc/53/31/52/1034533152.db2.gz MUFVKLJVTCLFDR-DGCLKSJQSA-N -1 3 362.455 2.781 20 30 FFEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119372 1034534886 /nfs/dbraw/zinc/53/48/86/1034534886.db2.gz NKFQPNVRBWUEMX-ZDUSSCGKSA-N -1 3 350.516 2.834 20 30 FFEDHM C=C(C)CN1CCC2(CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)C1=O ZINC001277107608 1034569227 /nfs/dbraw/zinc/56/92/27/1034569227.db2.gz OZEWIESPDPDSDJ-UHFFFAOYSA-N -1 3 360.429 2.915 20 30 FFEDHM CCOC(=O)C1(C#N)CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140103526 1035343260 /nfs/dbraw/zinc/34/32/60/1035343260.db2.gz NJWJPEVJBXWHPK-UHFFFAOYSA-N -1 3 367.243 2.824 20 30 FFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227695029 1035679590 /nfs/dbraw/zinc/67/95/90/1035679590.db2.gz KITZKDPAMNBCEZ-LLVKDONJSA-N -1 3 358.741 2.979 20 30 FFEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743325 1035711191 /nfs/dbraw/zinc/71/11/91/1035711191.db2.gz LROHJNJAZXSENL-AWEZNQCLSA-N -1 3 361.430 2.662 20 30 FFEDHM C=CCn1c(=O)c2ccc(C(=O)Nc3n[nH]c(C(C)C)n3)cc2[n-]c1=S ZINC000120958256 1036352900 /nfs/dbraw/zinc/35/29/00/1036352900.db2.gz HVFZATIAZJPPFQ-UHFFFAOYSA-N -1 3 370.438 2.739 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2cc(O)cc([O-])c2Br)[C@H]2OC(C)(C)O[C@@H]12 ZINC001229096517 1036495410 /nfs/dbraw/zinc/49/54/10/1036495410.db2.gz FAVHOPYGFGLOAT-NZPIUUIZSA-N -1 3 373.199 2.670 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(C#N)cc1[O-])[C@@H]2C ZINC001233384798 1036585124 /nfs/dbraw/zinc/58/51/24/1036585124.db2.gz ITTFUDWZVAULSS-OAHLLOKOSA-N -1 3 353.470 2.877 20 30 FFEDHM CC(C)(C)OC(=O)N1CCN(Cc2c(F)ccc([O-])c2F)C[C@H]1C#N ZINC001233396150 1036595735 /nfs/dbraw/zinc/59/57/35/1036595735.db2.gz MFTJSXBYOSXDLA-LLVKDONJSA-N -1 3 353.369 2.615 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001233801469 1036769423 /nfs/dbraw/zinc/76/94/23/1036769423.db2.gz AMLPNOWUCQDEKT-MGABJAEBSA-N -1 3 360.322 2.629 20 30 FFEDHM N#CCc1cccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000836763376 1036815906 /nfs/dbraw/zinc/81/59/06/1036815906.db2.gz QJEFKZIHFKMEQY-ZDUSSCGKSA-N -1 3 368.359 2.675 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)OCC[C@@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234140944 1036937763 /nfs/dbraw/zinc/93/77/63/1036937763.db2.gz MSNWWHUIKMRDOZ-LPHOPBHVSA-N -1 3 360.410 2.811 20 30 FFEDHM C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450609 1037590083 /nfs/dbraw/zinc/59/00/83/1037590083.db2.gz TXFVUADAHNPBEY-FQEVSTJZSA-N -1 3 358.438 2.624 20 30 FFEDHM C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450609 1037590100 /nfs/dbraw/zinc/59/01/00/1037590100.db2.gz TXFVUADAHNPBEY-FQEVSTJZSA-N -1 3 358.438 2.624 20 30 FFEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001276567471 1038236263 /nfs/dbraw/zinc/23/62/63/1038236263.db2.gz ZTFHSUASDOXPFR-CQSZACIVSA-N -1 3 363.408 2.692 20 30 FFEDHM C=C(C)CN1C[C@@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278022843 1038327194 /nfs/dbraw/zinc/32/71/94/1038327194.db2.gz AUNLRLKOPVXLCI-SFHVURJKSA-N -1 3 368.836 2.564 20 30 FFEDHM C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1Cl ZINC001278023047 1038329865 /nfs/dbraw/zinc/32/98/65/1038329865.db2.gz IFEHEHOHVGVXJC-SFHVURJKSA-N -1 3 350.821 2.775 20 30 FFEDHM N#Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC001256101821 1038387421 /nfs/dbraw/zinc/38/74/21/1038387421.db2.gz DLFYDMWKKSQDLD-UHFFFAOYSA-N -1 3 352.362 2.584 20 30 FFEDHM COc1cccc(N2CCC(/N=C\c3c([O-])c(C)ncc3CO)CC2)c1 ZINC001251326537 1039070168 /nfs/dbraw/zinc/07/01/68/1039070168.db2.gz XXWBBHIAXWFPFT-UUYOSTAYSA-N -1 3 355.438 2.684 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Br)cc1 ZINC001258116259 1039187289 /nfs/dbraw/zinc/18/72/89/1039187289.db2.gz GPLFFXVRMPSRQR-UHFFFAOYSA-N -1 3 353.197 2.827 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cccc3c2CN(C2CC2)C3=O)cc1 ZINC001260045146 1040375124 /nfs/dbraw/zinc/37/51/24/1040375124.db2.gz CXEDFFZVKIUHEL-UHFFFAOYSA-N -1 3 367.430 2.618 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)cc1 ZINC001260240151 1040483076 /nfs/dbraw/zinc/48/30/76/1040483076.db2.gz HLBOJQJIMDHGAH-UHFFFAOYSA-N -1 3 370.308 2.563 20 30 FFEDHM C=CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260289520 1040514458 /nfs/dbraw/zinc/51/44/58/1040514458.db2.gz ALEUEFNQQIIFRF-JTQLQIEISA-N -1 3 350.818 2.547 20 30 FFEDHM O=S(=O)([N-]CCS)c1ccc(Br)cc1C(F)(F)F ZINC001260887645 1040867928 /nfs/dbraw/zinc/86/79/28/1040867928.db2.gz NDFSEFJTBNICAS-UHFFFAOYSA-N -1 3 364.208 2.676 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@@H]3C3OCCO3)n2C)c1[O-] ZINC001262918490 1041959898 /nfs/dbraw/zinc/95/98/98/1041959898.db2.gz QBKRUPDQSHRFHU-MRXNPFEDSA-N -1 3 370.453 2.648 20 30 FFEDHM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001309746938 1043506474 /nfs/dbraw/zinc/50/64/74/1043506474.db2.gz NQFRZQINCDLRTP-UHFFFAOYSA-N -1 3 369.878 2.791 20 30 FFEDHM C=CCCC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001309746938 1043506486 /nfs/dbraw/zinc/50/64/86/1043506486.db2.gz NQFRZQINCDLRTP-UHFFFAOYSA-N -1 3 369.878 2.791 20 30 FFEDHM C#CCCCN1Cc2[nH]nc(C(=O)Nc3nc4c(cccc4[O-])s3)c2C1 ZINC001279750002 1043582929 /nfs/dbraw/zinc/58/29/29/1043582929.db2.gz PYZGOVXFSDOMFU-UHFFFAOYSA-N -1 3 367.434 2.706 20 30 FFEDHM COc1c(C(=O)[O-])cccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242920512 1044824802 /nfs/dbraw/zinc/82/48/02/1044824802.db2.gz RTUXBDWFZJVRJL-CYBMUJFWSA-N -1 3 369.377 2.799 20 30 FFEDHM C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nccn1-c1ccccc1 ZINC001323678474 1045680650 /nfs/dbraw/zinc/68/06/50/1045680650.db2.gz UGUJJZGBCUBYQA-ZDUSSCGKSA-N -1 3 352.419 2.672 20 30 FFEDHM Cc1ccc(C)c2c1OCCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC001322145085 1045967821 /nfs/dbraw/zinc/96/78/21/1045967821.db2.gz QVOLPEKNFSFHIY-UHFFFAOYSA-N -1 3 358.463 2.952 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1c(C)nn(CC)c1C ZINC001342187337 1050779618 /nfs/dbraw/zinc/77/96/18/1050779618.db2.gz IPFSCNXMKISEGP-UHFFFAOYSA-N -1 3 371.445 2.684 20 30 FFEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1CCC[C@H]1c1cccs1 ZINC001342205964 1050798215 /nfs/dbraw/zinc/79/82/15/1050798215.db2.gz ZJSCPNYGIPBJFK-ZDUSSCGKSA-N -1 3 370.486 2.556 20 30 FFEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1CCC[C@H]1c1cccs1 ZINC001342205964 1050798231 /nfs/dbraw/zinc/79/82/31/1050798231.db2.gz ZJSCPNYGIPBJFK-ZDUSSCGKSA-N -1 3 370.486 2.556 20 30 FFEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001342316572 1050911418 /nfs/dbraw/zinc/91/14/18/1050911418.db2.gz SIUKERTXLGUHAK-OAHLLOKOSA-N -1 3 366.473 2.658 20 30 FFEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001342316572 1050911421 /nfs/dbraw/zinc/91/14/21/1050911421.db2.gz SIUKERTXLGUHAK-OAHLLOKOSA-N -1 3 366.473 2.658 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(c2ccco2)CC1 ZINC001340570645 1050957682 /nfs/dbraw/zinc/95/76/82/1050957682.db2.gz KFUZECUJQFODJR-UHFFFAOYSA-N -1 3 366.425 2.912 20 30 FFEDHM C=CCN(CCc1ccco1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC ZINC001340893847 1051222288 /nfs/dbraw/zinc/22/22/88/1051222288.db2.gz ZZQQRXVNUQDLGY-UHFFFAOYSA-N -1 3 354.414 2.597 20 30 FFEDHM C=CCNc1ncc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)s1 ZINC001304820974 1051722228 /nfs/dbraw/zinc/72/22/28/1051722228.db2.gz WHCUHYVDFRLANN-HAQNSBGRSA-N -1 3 359.455 2.693 20 30 FFEDHM CC(C)c1cccc(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)n1 ZINC001306892787 1052213637 /nfs/dbraw/zinc/21/36/37/1052213637.db2.gz MRLWZKHOGJJEGB-UHFFFAOYSA-N -1 3 367.405 2.723 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)OCC ZINC001309390355 1052610585 /nfs/dbraw/zinc/61/05/85/1052610585.db2.gz KGOYEAQVKGKFSX-JTQLQIEISA-N -1 3 374.871 2.736 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)OCC ZINC001309390356 1052610758 /nfs/dbraw/zinc/61/07/58/1052610758.db2.gz KGOYEAQVKGKFSX-SNVBAGLBSA-N -1 3 374.871 2.736 20 30 FFEDHM C#C[C@H]1CCCCN1c1nnc(-c2cnc[n-]c2=O)n1Cc1cccs1 ZINC001348447219 1054700221 /nfs/dbraw/zinc/70/02/21/1054700221.db2.gz DZQFDBGNKJFBSF-ZDUSSCGKSA-N -1 3 366.450 2.543 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2OC)cc1 ZINC001356101239 1055288955 /nfs/dbraw/zinc/28/89/55/1055288955.db2.gz OADYDPLNLHAFEF-OAHLLOKOSA-N -1 3 354.410 2.732 20 30 FFEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cccnc1OCC(F)(F)F ZINC001349701910 1055421872 /nfs/dbraw/zinc/42/18/72/1055421872.db2.gz KWYDHMWVVGBXAA-SECBINFHSA-N -1 3 358.707 2.900 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001338834550 1055858374 /nfs/dbraw/zinc/85/83/74/1055858374.db2.gz PBXLPCIVLMJKDN-UHFFFAOYSA-N -1 3 368.363 2.796 20 30 FFEDHM N#CC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CCN(Cc2ccccc2)CC1 ZINC000847745294 1056513990 /nfs/dbraw/zinc/51/39/90/1056513990.db2.gz FTQFFXQLXOWXCT-UHFFFAOYSA-N -1 3 368.393 2.886 20 30 FFEDHM C=C(C)CN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C[C@H]1CCCCO1 ZINC001519830649 1059112955 /nfs/dbraw/zinc/11/29/55/1059112955.db2.gz CMIMQFQUSNDYQA-OAHLLOKOSA-N -1 3 372.473 2.721 20 30 FFEDHM C=C[C@@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC001520152889 1059432323 /nfs/dbraw/zinc/43/23/23/1059432323.db2.gz MEJZSYQZEGPSPU-OAHLLOKOSA-N -1 3 354.372 2.873 20 30 FFEDHM C=CCc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc(OC)c1OC ZINC001454420140 1059535928 /nfs/dbraw/zinc/53/59/28/1059535928.db2.gz ZMVIABUWMNYCEX-UHFFFAOYSA-N -1 3 365.393 2.865 20 30 FFEDHM C=CCc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc(OC)c1OC ZINC001454420140 1059535949 /nfs/dbraw/zinc/53/59/49/1059535949.db2.gz ZMVIABUWMNYCEX-UHFFFAOYSA-N -1 3 365.393 2.865 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCOC2(C1)CCCCCC2 ZINC001356007722 1060804621 /nfs/dbraw/zinc/80/46/21/1060804621.db2.gz MQWBALNKTZCJOP-UHFFFAOYSA-N -1 3 359.430 2.754 20 30 FFEDHM CC(=O)c1ccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC001546115874 1060980493 /nfs/dbraw/zinc/98/04/93/1060980493.db2.gz YDPHQTWUIWTLJL-UHFFFAOYSA-N -1 3 365.433 2.770 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCCN(Cc3ccccc3)C2)o1 ZINC001475572977 1061144314 /nfs/dbraw/zinc/14/43/14/1061144314.db2.gz WONCFPSEKPKDDY-QGZVFWFLSA-N -1 3 373.478 2.874 20 30 FFEDHM C=CCCC[C@H]([N-]S(=O)(=O)C[C@H]1CCCC(F)(F)C1)C(=O)OC ZINC001475688767 1061207238 /nfs/dbraw/zinc/20/72/38/1061207238.db2.gz NRCYAPCRMMLJEV-STQMWFEESA-N -1 3 353.431 2.629 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2)OCC ZINC001522231504 1061773205 /nfs/dbraw/zinc/77/32/05/1061773205.db2.gz FOZFWOTXSQVIFQ-VYCZESIESA-N -1 3 372.465 2.625 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)nn1 ZINC001360081947 1061891073 /nfs/dbraw/zinc/89/10/73/1061891073.db2.gz MOMCPTDLJZNTON-UHFFFAOYSA-N -1 3 358.402 2.688 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001524188643 1062747886 /nfs/dbraw/zinc/74/78/86/1062747886.db2.gz HBYKWACDBSWLHQ-UHFFFAOYSA-N -1 3 369.381 2.580 20 30 FFEDHM N#CCCn1ncc(C(=O)N2CCCc3c(=O)[n-]cnc32)c1-c1ccccc1 ZINC001532769949 1063168002 /nfs/dbraw/zinc/16/80/02/1063168002.db2.gz GBLYRBKDNIPEBM-UHFFFAOYSA-N -1 3 374.404 2.552 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)ccc1F ZINC001533832052 1063419295 /nfs/dbraw/zinc/41/92/95/1063419295.db2.gz NCWTWUBEHNEPDB-DUVNUKRYSA-N -1 3 366.458 2.599 20 30 FFEDHM CC(C)[C@@H](C#N)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001467331386 1063712575 /nfs/dbraw/zinc/71/25/75/1063712575.db2.gz FJQWLVXOCIBSFP-LLVKDONJSA-N -1 3 353.300 2.705 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C#N)ccc1F ZINC001575187384 1078114113 /nfs/dbraw/zinc/11/41/13/1078114113.db2.gz BZBPOKLOVULNBS-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C#N)ccc1F ZINC001575187384 1078114115 /nfs/dbraw/zinc/11/41/15/1078114115.db2.gz BZBPOKLOVULNBS-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 ZINC001472621064 1065113173 /nfs/dbraw/zinc/11/31/73/1065113173.db2.gz FOOFEYKNQUTSFF-WBVHZDCISA-N -1 3 364.490 2.906 20 30 FFEDHM C=CCC[C@@H](O)CN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001473727541 1065335964 /nfs/dbraw/zinc/33/59/64/1065335964.db2.gz KEUUXYJYJLFMQQ-ZIAGYGMSSA-N -1 3 356.388 2.986 20 30 FFEDHM CCOC(=O)c1nc([C@@H](CC(C)C)NCc2cccc(F)c2C#N)n[n-]1 ZINC001474606685 1065560594 /nfs/dbraw/zinc/56/05/94/1065560594.db2.gz OBEWWGKYKJPXBS-OAHLLOKOSA-N -1 3 359.405 2.869 20 30 FFEDHM CCOC(=O)c1nnc([C@@H](CC(C)C)NCc2cccc(F)c2C#N)[n-]1 ZINC001474606685 1065560606 /nfs/dbraw/zinc/56/06/06/1065560606.db2.gz OBEWWGKYKJPXBS-OAHLLOKOSA-N -1 3 359.405 2.869 20 30 FFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cc(C#N)ccc1C ZINC001578736137 1078525240 /nfs/dbraw/zinc/52/52/40/1078525240.db2.gz RAFIZLKSMGVKLV-UHFFFAOYSA-N -1 3 372.392 2.669 20 30 FFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cc(C#N)ccc1C ZINC001578736137 1078525249 /nfs/dbraw/zinc/52/52/49/1078525249.db2.gz RAFIZLKSMGVKLV-UHFFFAOYSA-N -1 3 372.392 2.669 20 30 FFEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccc(F)cc1C#N ZINC001579241273 1078598785 /nfs/dbraw/zinc/59/87/85/1078598785.db2.gz JKESUIVABYSVTA-UHFFFAOYSA-N -1 3 357.374 2.603 20 30 FFEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccc(F)cc1C#N ZINC001579241273 1078598792 /nfs/dbraw/zinc/59/87/92/1078598792.db2.gz JKESUIVABYSVTA-UHFFFAOYSA-N -1 3 357.374 2.603 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC001579886788 1078708350 /nfs/dbraw/zinc/70/83/50/1078708350.db2.gz UPMFNNUWEOHCTB-UHFFFAOYSA-N -1 3 363.377 2.630 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC001579886788 1078708356 /nfs/dbraw/zinc/70/83/56/1078708356.db2.gz UPMFNNUWEOHCTB-UHFFFAOYSA-N -1 3 363.377 2.630 20 30 FFEDHM Cc1cc(F)ccc1N(CC#N)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001580940126 1078896594 /nfs/dbraw/zinc/89/65/94/1078896594.db2.gz NFCDGIBKHBPNFB-UHFFFAOYSA-N -1 3 372.310 2.763 20 30 FFEDHM Cc1cc(F)ccc1N(CC#N)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001580940126 1078896600 /nfs/dbraw/zinc/89/66/00/1078896600.db2.gz NFCDGIBKHBPNFB-UHFFFAOYSA-N -1 3 372.310 2.763 20 30 FFEDHM Cn1c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC001581752615 1078998971 /nfs/dbraw/zinc/99/89/71/1078998971.db2.gz OLUCCJVCNOEBFH-UHFFFAOYSA-N -1 3 368.400 2.857 20 30 FFEDHM Cn1c(C(=O)Nc2cccc(C#Cc3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC001581752615 1078998977 /nfs/dbraw/zinc/99/89/77/1078998977.db2.gz OLUCCJVCNOEBFH-UHFFFAOYSA-N -1 3 368.400 2.857 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC001581873250 1079011399 /nfs/dbraw/zinc/01/13/99/1079011399.db2.gz UVMMVZIXNUYPKM-UHFFFAOYSA-N -1 3 359.802 2.775 20 30 FFEDHM N#Cc1ccc(OCC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001581873720 1079011514 /nfs/dbraw/zinc/01/15/14/1079011514.db2.gz NCLAEQSTCGJFHP-UHFFFAOYSA-N -1 3 353.769 2.582 20 30 FFEDHM N#Cc1ccc(OCC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001581873720 1079011520 /nfs/dbraw/zinc/01/15/20/1079011520.db2.gz NCLAEQSTCGJFHP-UHFFFAOYSA-N -1 3 353.769 2.582 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001581873544 1079011578 /nfs/dbraw/zinc/01/15/78/1079011578.db2.gz GEPZXIMPPCINAQ-UHFFFAOYSA-N -1 3 374.282 2.731 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001581873544 1079011584 /nfs/dbraw/zinc/01/15/84/1079011584.db2.gz GEPZXIMPPCINAQ-UHFFFAOYSA-N -1 3 374.282 2.731 20 30 FFEDHM N#Cc1cccc([C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC001581875090 1079012473 /nfs/dbraw/zinc/01/24/73/1079012473.db2.gz VEROXYXTUJHKBE-CQSZACIVSA-N -1 3 372.310 2.772 20 30 FFEDHM N#Cc1cccc([C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC001581875090 1079012480 /nfs/dbraw/zinc/01/24/80/1079012480.db2.gz VEROXYXTUJHKBE-CQSZACIVSA-N -1 3 372.310 2.772 20 30 FFEDHM O=C(c1ccn(CCn2cccn2)n1)N([O-])CCCCc1ccccc1 ZINC001559033949 1076118039 /nfs/dbraw/zinc/11/80/39/1076118039.db2.gz GOCPMNGPWYPIBM-UHFFFAOYSA-N -1 3 353.426 2.634 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC001559034536 1076118114 /nfs/dbraw/zinc/11/81/14/1076118114.db2.gz FFCVFZFCLUBRIE-MRXNPFEDSA-N -1 3 354.472 2.638 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1ccc(N(C)C)cc1 ZINC001561486333 1076383350 /nfs/dbraw/zinc/38/33/50/1076383350.db2.gz YGHMGKMYJXTULM-GFCCVEGCSA-N -1 3 374.422 2.572 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3OC[C@@H]2F)c(Cl)c1 ZINC001561913565 1076444110 /nfs/dbraw/zinc/44/41/10/1076444110.db2.gz YZXCDQAIUDYPSY-BBRMVZONSA-N -1 3 366.801 2.962 20 30 FFEDHM Brc1cc(NN=Cc2ccc(-c3nnn[n-]3)s2)ccn1 ZINC001588318627 1079973964 /nfs/dbraw/zinc/97/39/64/1079973964.db2.gz WKLBHXOJKFKSAD-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM C#CC(C)(C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001588325936 1079983650 /nfs/dbraw/zinc/98/36/50/1079983650.db2.gz ZYQRLLJDXZVMIK-UHFFFAOYSA-N -1 3 363.381 2.587 20 30 FFEDHM C#C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329241 1079984920 /nfs/dbraw/zinc/98/49/20/1079984920.db2.gz BCMKTPHPFBLIHA-KSSFIOAISA-N -1 3 360.421 2.944 20 30 FFEDHM C#C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329241 1079984923 /nfs/dbraw/zinc/98/49/23/1079984923.db2.gz BCMKTPHPFBLIHA-KSSFIOAISA-N -1 3 360.421 2.944 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001588333801 1079987729 /nfs/dbraw/zinc/98/77/29/1079987729.db2.gz DYWHLTRDTRABBT-MRXNPFEDSA-N -1 3 350.357 2.892 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001588333801 1079987732 /nfs/dbraw/zinc/98/77/32/1079987732.db2.gz DYWHLTRDTRABBT-MRXNPFEDSA-N -1 3 350.357 2.892 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001588393085 1080005382 /nfs/dbraw/zinc/00/53/82/1080005382.db2.gz NHEBIBNHAXOROG-UHFFFAOYSA-N -1 3 374.876 2.771 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001588404113 1080012222 /nfs/dbraw/zinc/01/22/22/1080012222.db2.gz DBUVGQKRCXRLDY-LLVKDONJSA-N -1 3 358.402 2.976 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001588404113 1080012235 /nfs/dbraw/zinc/01/22/35/1080012235.db2.gz DBUVGQKRCXRLDY-LLVKDONJSA-N -1 3 358.402 2.976 20 30 FFEDHM C=C(C)C(C)(C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001588403090 1080012710 /nfs/dbraw/zinc/01/27/10/1080012710.db2.gz UUULIXRBCGEYOT-UHFFFAOYSA-N -1 3 367.409 2.939 20 30 FFEDHM C=C(C)C(C)(C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC001588403090 1080012713 /nfs/dbraw/zinc/01/27/13/1080012713.db2.gz UUULIXRBCGEYOT-UHFFFAOYSA-N -1 3 367.409 2.939 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588412064 1080015671 /nfs/dbraw/zinc/01/56/71/1080015671.db2.gz QTNXTKHYPJBLRJ-GJZGRUSLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588412064 1080015680 /nfs/dbraw/zinc/01/56/80/1080015680.db2.gz QTNXTKHYPJBLRJ-GJZGRUSLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)NCCN(CCC)c1cccc(F)c1-c1nnn[n-]1 ZINC001588418001 1080021245 /nfs/dbraw/zinc/02/12/45/1080021245.db2.gz NOVCPPGWBQKMAZ-UHFFFAOYSA-N -1 3 360.437 2.695 20 30 FFEDHM C=C(C)CCC(=O)NCCN(CCC)c1cccc(F)c1-c1nn[n-]n1 ZINC001588418001 1080021254 /nfs/dbraw/zinc/02/12/54/1080021254.db2.gz NOVCPPGWBQKMAZ-UHFFFAOYSA-N -1 3 360.437 2.695 20 30 FFEDHM C=C(CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588444211 1080029144 /nfs/dbraw/zinc/02/91/44/1080029144.db2.gz QRUVCSOTVNJRFR-UHFFFAOYSA-N -1 3 351.435 2.788 20 30 FFEDHM C=C(CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588444211 1080029151 /nfs/dbraw/zinc/02/91/51/1080029151.db2.gz QRUVCSOTVNJRFR-UHFFFAOYSA-N -1 3 351.435 2.788 20 30 FFEDHM C=C1CC(C)(C(=O)N(CC)CCNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588447308 1080029460 /nfs/dbraw/zinc/02/94/60/1080029460.db2.gz CXHSRDABVAXLDY-UHFFFAOYSA-N -1 3 358.421 2.623 20 30 FFEDHM C=C1CC(C)(C(=O)N(CC)CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588447308 1080029465 /nfs/dbraw/zinc/02/94/65/1080029465.db2.gz CXHSRDABVAXLDY-UHFFFAOYSA-N -1 3 358.421 2.623 20 30 FFEDHM C=C1CC(C)(C(=O)NC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C2CC2)C1 ZINC001588456173 1080033283 /nfs/dbraw/zinc/03/32/83/1080033283.db2.gz URYPHPCWFFDROP-HNNXBMFYSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)NC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001588456173 1080033292 /nfs/dbraw/zinc/03/32/92/1080033292.db2.gz URYPHPCWFFDROP-HNNXBMFYSA-N -1 3 370.432 2.669 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC(CC)(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588468681 1080038388 /nfs/dbraw/zinc/03/83/88/1080038388.db2.gz NFSOGQHWMNLAMM-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC(CC)(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588468681 1080038397 /nfs/dbraw/zinc/03/83/97/1080038397.db2.gz NFSOGQHWMNLAMM-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001588480898 1080044127 /nfs/dbraw/zinc/04/41/27/1080044127.db2.gz FGXRTJBRYSAJPE-TZMCWYRMSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001588480898 1080044135 /nfs/dbraw/zinc/04/41/35/1080044135.db2.gz FGXRTJBRYSAJPE-TZMCWYRMSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588484487 1080048550 /nfs/dbraw/zinc/04/85/50/1080048550.db2.gz FLZAJWAVYPSZTK-IBGZPJMESA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588484487 1080048557 /nfs/dbraw/zinc/04/85/57/1080048557.db2.gz FLZAJWAVYPSZTK-IBGZPJMESA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@@H]1C ZINC001588484719 1080049229 /nfs/dbraw/zinc/04/92/29/1080049229.db2.gz LBHYCXWEDVCKBR-KBPBESRZSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@@H]1C ZINC001588484719 1080049238 /nfs/dbraw/zinc/04/92/38/1080049238.db2.gz LBHYCXWEDVCKBR-KBPBESRZSA-N -1 3 369.473 2.655 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588492583 1080054500 /nfs/dbraw/zinc/05/45/00/1080054500.db2.gz UMLSRGFFWXNAOP-AUUYWEPGSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588492583 1080054505 /nfs/dbraw/zinc/05/45/05/1080054505.db2.gz UMLSRGFFWXNAOP-AUUYWEPGSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001588492268 1080054594 /nfs/dbraw/zinc/05/45/94/1080054594.db2.gz QEPHNTPUCYOQGY-IFXJQAMLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001588492268 1080054598 /nfs/dbraw/zinc/05/45/98/1080054598.db2.gz QEPHNTPUCYOQGY-IFXJQAMLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588492993 1080055498 /nfs/dbraw/zinc/05/54/98/1080055498.db2.gz YOZWCSQGSYPZFR-KUHUBIRLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588492993 1080055511 /nfs/dbraw/zinc/05/55/11/1080055511.db2.gz YOZWCSQGSYPZFR-KUHUBIRLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC001588525864 1080077853 /nfs/dbraw/zinc/07/78/53/1080077853.db2.gz MEFASYIPELKBQR-SNVBAGLBSA-N -1 3 363.443 2.954 20 30 FFEDHM C=C[C@H](CC)CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC001588525864 1080077862 /nfs/dbraw/zinc/07/78/62/1080077862.db2.gz MEFASYIPELKBQR-SNVBAGLBSA-N -1 3 363.443 2.954 20 30 FFEDHM C=CC[C@@H](C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588530418 1080079835 /nfs/dbraw/zinc/07/98/35/1080079835.db2.gz LOPQLYSIKCMMAH-MRXNPFEDSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CC[C@@H](C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588530418 1080079844 /nfs/dbraw/zinc/07/98/44/1080079844.db2.gz LOPQLYSIKCMMAH-MRXNPFEDSA-N -1 3 363.421 2.851 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588531795 1080081917 /nfs/dbraw/zinc/08/19/17/1080081917.db2.gz IPBOREGOGDQVRD-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588531795 1080081925 /nfs/dbraw/zinc/08/19/25/1080081925.db2.gz IPBOREGOGDQVRD-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001588539705 1080086119 /nfs/dbraw/zinc/08/61/19/1080086119.db2.gz VWJLWYQFVZGSJN-ZDUSSCGKSA-N -1 3 363.425 2.568 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001588539705 1080086129 /nfs/dbraw/zinc/08/61/29/1080086129.db2.gz VWJLWYQFVZGSJN-ZDUSSCGKSA-N -1 3 363.425 2.568 20 30 FFEDHM C=CCC(C)(C)CNC(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588539178 1080086304 /nfs/dbraw/zinc/08/63/04/1080086304.db2.gz AZBZGAHVHKKVJY-MRXNPFEDSA-N -1 3 370.457 2.552 20 30 FFEDHM C=CCC(C)(C)CNC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588539178 1080086316 /nfs/dbraw/zinc/08/63/16/1080086316.db2.gz AZBZGAHVHKKVJY-MRXNPFEDSA-N -1 3 370.457 2.552 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001588541333 1080087885 /nfs/dbraw/zinc/08/78/85/1080087885.db2.gz MOPHPIIWFWMSIZ-LLVKDONJSA-N -1 3 370.392 2.668 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588545306 1080088669 /nfs/dbraw/zinc/08/86/69/1080088669.db2.gz FACYYBKUKXWROY-GOSISDBHSA-N -1 3 362.437 2.582 20 30 FFEDHM C=CCC1(C(=O)N(C)CCOCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588548486 1080090172 /nfs/dbraw/zinc/09/01/72/1080090172.db2.gz DQZPPYHEZJRKQT-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C=CCC1(C(=O)N(C)CCOCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588548486 1080090182 /nfs/dbraw/zinc/09/01/82/1080090182.db2.gz DQZPPYHEZJRKQT-UHFFFAOYSA-N -1 3 369.469 2.978 20 30 FFEDHM C=CCC1(C(=O)N(CC)CCNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588549390 1080090420 /nfs/dbraw/zinc/09/04/20/1080090420.db2.gz PTTBNLOGXDTSIE-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCC1(C(=O)N(CC)CCNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588549390 1080090430 /nfs/dbraw/zinc/09/04/30/1080090430.db2.gz PTTBNLOGXDTSIE-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001588560016 1080096947 /nfs/dbraw/zinc/09/69/47/1080096947.db2.gz NDXRTVPTBMHYTL-KGLIPLIRSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001588560016 1080096957 /nfs/dbraw/zinc/09/69/57/1080096957.db2.gz NDXRTVPTBMHYTL-KGLIPLIRSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@H]1N(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCC1(C)C ZINC001588565274 1080099933 /nfs/dbraw/zinc/09/99/33/1080099933.db2.gz YCRWUHNOPIJHNM-MRXNPFEDSA-N -1 3 355.442 2.839 20 30 FFEDHM C=CCCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@H](CC)C1 ZINC001588566208 1080101174 /nfs/dbraw/zinc/10/11/74/1080101174.db2.gz CDPQERPCEGZALO-ZBFHGGJFSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@H](CC)C1 ZINC001588566208 1080101178 /nfs/dbraw/zinc/10/11/78/1080101178.db2.gz CDPQERPCEGZALO-ZBFHGGJFSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588585968 1080109500 /nfs/dbraw/zinc/10/95/00/1080109500.db2.gz AKEGHGAHQPOTFJ-UHFFFAOYSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588585968 1080109502 /nfs/dbraw/zinc/10/95/02/1080109502.db2.gz AKEGHGAHQPOTFJ-UHFFFAOYSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001588586368 1080109938 /nfs/dbraw/zinc/10/99/38/1080109938.db2.gz HBTBOORTXDSTJO-MRXNPFEDSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001588586368 1080109942 /nfs/dbraw/zinc/10/99/42/1080109942.db2.gz HBTBOORTXDSTJO-MRXNPFEDSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588587235 1080111511 /nfs/dbraw/zinc/11/15/11/1080111511.db2.gz RRMPMZVTLRGKIQ-LSDHHAIUSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588587235 1080111518 /nfs/dbraw/zinc/11/15/18/1080111518.db2.gz RRMPMZVTLRGKIQ-LSDHHAIUSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588594734 1080116796 /nfs/dbraw/zinc/11/67/96/1080116796.db2.gz RSMCYOPRLLYGAJ-HIFRSBDPSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588594732 1080117551 /nfs/dbraw/zinc/11/75/51/1080117551.db2.gz RSMCYOPRLLYGAJ-DZGCQCFKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCN(C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001588603495 1080120664 /nfs/dbraw/zinc/12/06/64/1080120664.db2.gz PCZPDFYUFYTZCB-UHFFFAOYSA-N -1 3 372.820 2.746 20 30 FFEDHM C=CCCOCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1C(C)=O ZINC001588618157 1080123698 /nfs/dbraw/zinc/12/36/98/1080123698.db2.gz VZCFVPAVKMDKHB-UHFFFAOYSA-N -1 3 357.414 2.771 20 30 FFEDHM C=CCCOCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1C(C)=O ZINC001588618157 1080123705 /nfs/dbraw/zinc/12/37/05/1080123705.db2.gz VZCFVPAVKMDKHB-UHFFFAOYSA-N -1 3 357.414 2.771 20 30 FFEDHM C=CCN(CCc1ccco1)[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588635767 1080130456 /nfs/dbraw/zinc/13/04/56/1080130456.db2.gz URRQMNWYFNQTLQ-CQSZACIVSA-N -1 3 366.425 2.517 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccccc1C#N ZINC001588639441 1080132128 /nfs/dbraw/zinc/13/21/28/1080132128.db2.gz AEDVRPBIVALCBA-ZHACJKMWSA-N -1 3 370.416 2.966 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccccc1C#N ZINC001588639441 1080132134 /nfs/dbraw/zinc/13/21/34/1080132134.db2.gz AEDVRPBIVALCBA-ZHACJKMWSA-N -1 3 370.416 2.966 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CC2(CC2(F)F)C1 ZINC001588638963 1080132211 /nfs/dbraw/zinc/13/22/11/1080132211.db2.gz KOVNPLZVDWKAPE-UHFFFAOYSA-N -1 3 359.380 2.817 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CC2(CC2(F)F)C1 ZINC001588638963 1080132218 /nfs/dbraw/zinc/13/22/18/1080132218.db2.gz KOVNPLZVDWKAPE-UHFFFAOYSA-N -1 3 359.380 2.817 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C(C)(C)C)n1CC ZINC001588652040 1080141752 /nfs/dbraw/zinc/14/17/52/1080141752.db2.gz GBSICDALTCZMBR-UHFFFAOYSA-N -1 3 366.473 2.968 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C(C)(C)C)n1CC ZINC001588652040 1080141753 /nfs/dbraw/zinc/14/17/53/1080141753.db2.gz GBSICDALTCZMBR-UHFFFAOYSA-N -1 3 366.473 2.968 20 30 FFEDHM C=CCOCCCC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588682701 1080152540 /nfs/dbraw/zinc/15/25/40/1080152540.db2.gz PQKIEVGTQQATAI-UHFFFAOYSA-N -1 3 371.319 2.687 20 30 FFEDHM C=CCOCCCC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588682701 1080152542 /nfs/dbraw/zinc/15/25/42/1080152542.db2.gz PQKIEVGTQQATAI-UHFFFAOYSA-N -1 3 371.319 2.687 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC(C)(C)C[C@H]1C ZINC001588700831 1080161128 /nfs/dbraw/zinc/16/11/28/1080161128.db2.gz YRFPJFZUKZNJTI-CYBMUJFWSA-N -1 3 364.457 2.936 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC(C)(C)C[C@H]1C ZINC001588700831 1080161131 /nfs/dbraw/zinc/16/11/31/1080161131.db2.gz YRFPJFZUKZNJTI-CYBMUJFWSA-N -1 3 364.457 2.936 20 30 FFEDHM C=CCn1c(Cc2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]1CC ZINC001588708869 1080165411 /nfs/dbraw/zinc/16/54/11/1080165411.db2.gz LEYOUZXMMOKISQ-INIZCTEOSA-N -1 3 364.457 2.614 20 30 FFEDHM C=CCn1c(Cc2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]1CC ZINC001588708869 1080165413 /nfs/dbraw/zinc/16/54/13/1080165413.db2.gz LEYOUZXMMOKISQ-INIZCTEOSA-N -1 3 364.457 2.614 20 30 FFEDHM C=CCn1c(N(CC)CC)nnc1C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001588709851 1080166571 /nfs/dbraw/zinc/16/65/71/1080166571.db2.gz WRZIPZXIPKZCEH-UHFFFAOYSA-N -1 3 374.399 2.631 20 30 FFEDHM C=CCn1c(N(CC)CC)nnc1C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001588709851 1080166574 /nfs/dbraw/zinc/16/65/74/1080166574.db2.gz WRZIPZXIPKZCEH-UHFFFAOYSA-N -1 3 374.399 2.631 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3cscc3-c3nnn[n-]3)cc21 ZINC001588716441 1080167792 /nfs/dbraw/zinc/16/77/92/1080167792.db2.gz FNTIOYLKYNVNSE-UHFFFAOYSA-N -1 3 351.395 2.716 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3cscc3-c3nn[n-]n3)cc21 ZINC001588716441 1080167796 /nfs/dbraw/zinc/16/77/96/1080167796.db2.gz FNTIOYLKYNVNSE-UHFFFAOYSA-N -1 3 351.395 2.716 20 30 FFEDHM CC(=O)Nc1ccc(C(C)=NOCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588874402 1080225056 /nfs/dbraw/zinc/22/50/56/1080225056.db2.gz JLHJAQBGWFMYGE-UHFFFAOYSA-N -1 3 350.382 2.766 20 30 FFEDHM CC(=O)Nc1ccc(C(C)=NOCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588874402 1080225064 /nfs/dbraw/zinc/22/50/64/1080225064.db2.gz JLHJAQBGWFMYGE-UHFFFAOYSA-N -1 3 350.382 2.766 20 30 FFEDHM C[C@@H](C#N)OCCNc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001588934009 1080271499 /nfs/dbraw/zinc/27/14/99/1080271499.db2.gz CYAOMQRBYLVQKX-ZDUSSCGKSA-N -1 3 350.382 3.000 20 30 FFEDHM C[C@@H](C#N)OCCNc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001588934009 1080271512 /nfs/dbraw/zinc/27/15/12/1080271512.db2.gz CYAOMQRBYLVQKX-ZDUSSCGKSA-N -1 3 350.382 3.000 20 30 FFEDHM CC(C)(C(=O)NCC1(C#N)CCCCC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589046794 1080322606 /nfs/dbraw/zinc/32/26/06/1080322606.db2.gz ASDPDQVJAVKRCM-UHFFFAOYSA-N -1 3 370.432 2.874 20 30 FFEDHM CC(C)(C(=O)NCC1(C#N)CCCCC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589046794 1080322615 /nfs/dbraw/zinc/32/26/15/1080322615.db2.gz ASDPDQVJAVKRCM-UHFFFAOYSA-N -1 3 370.432 2.874 20 30 FFEDHM CC(C)(C)CN(CCC#N)c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001589128883 1080378586 /nfs/dbraw/zinc/37/85/86/1080378586.db2.gz KDMYOFVGFMWOHO-UHFFFAOYSA-N -1 3 364.251 2.790 20 30 FFEDHM CC(C)(C)CN(CCC#N)c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001589128883 1080378593 /nfs/dbraw/zinc/37/85/93/1080378593.db2.gz KDMYOFVGFMWOHO-UHFFFAOYSA-N -1 3 364.251 2.790 20 30 FFEDHM CC(C)(NC(=O)NCC1(C#N)CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589315537 1080478624 /nfs/dbraw/zinc/47/86/24/1080478624.db2.gz CVAXUHOBKGFQDW-UHFFFAOYSA-N -1 3 367.457 2.875 20 30 FFEDHM CC(C)(NC(=O)NCC1(C#N)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589315537 1080478629 /nfs/dbraw/zinc/47/86/29/1080478629.db2.gz CVAXUHOBKGFQDW-UHFFFAOYSA-N -1 3 367.457 2.875 20 30 FFEDHM CC(C)[C@@](C)(O)CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589430457 1080528364 /nfs/dbraw/zinc/52/83/64/1080528364.db2.gz ZDIHSLDBOJFQOV-IBGZPJMESA-N -1 3 369.473 2.611 20 30 FFEDHM CC(C)[C@@](C)(O)CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589430457 1080528367 /nfs/dbraw/zinc/52/83/67/1080528367.db2.gz ZDIHSLDBOJFQOV-IBGZPJMESA-N -1 3 369.473 2.611 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC001589896386 1080842801 /nfs/dbraw/zinc/84/28/01/1080842801.db2.gz XPLYQAOFDFPNNE-KGLIPLIRSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC001589896386 1080842804 /nfs/dbraw/zinc/84/28/04/1080842804.db2.gz XPLYQAOFDFPNNE-KGLIPLIRSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589895868 1080843486 /nfs/dbraw/zinc/84/34/86/1080843486.db2.gz BEZYNYOTMNDXMY-KGLIPLIRSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589895868 1080843493 /nfs/dbraw/zinc/84/34/93/1080843493.db2.gz BEZYNYOTMNDXMY-KGLIPLIRSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001589937373 1080882081 /nfs/dbraw/zinc/88/20/81/1080882081.db2.gz CVBHLQXHQOHVMN-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12)c1cccc(C#N)c1 ZINC001589941648 1080885739 /nfs/dbraw/zinc/88/57/39/1080885739.db2.gz SSMJUXNKJVHMJD-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12)c1cccc(C#N)c1 ZINC001589941648 1080885746 /nfs/dbraw/zinc/88/57/46/1080885746.db2.gz SSMJUXNKJVHMJD-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](ON=Cc1ccc(-n2cncn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590021011 1080948064 /nfs/dbraw/zinc/94/80/64/1080948064.db2.gz RLCGHMZLQHFGKA-CYBMUJFWSA-N -1 3 360.381 2.559 20 30 FFEDHM C[C@@H](ON=Cc1ccc(-n2cncn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590021011 1080948068 /nfs/dbraw/zinc/94/80/68/1080948068.db2.gz RLCGHMZLQHFGKA-CYBMUJFWSA-N -1 3 360.381 2.559 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001590030828 1080956251 /nfs/dbraw/zinc/95/62/51/1080956251.db2.gz IAZWPYUTULGIEA-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001590030828 1080956254 /nfs/dbraw/zinc/95/62/54/1080956254.db2.gz IAZWPYUTULGIEA-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM CC1(C#N)CCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)CC1 ZINC001590054477 1080981915 /nfs/dbraw/zinc/98/19/15/1080981915.db2.gz KOUMYOPGJRTBSM-UHFFFAOYSA-N -1 3 364.453 2.831 20 30 FFEDHM CC1(C#N)CCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)CC1 ZINC001590054477 1080981921 /nfs/dbraw/zinc/98/19/21/1080981921.db2.gz KOUMYOPGJRTBSM-UHFFFAOYSA-N -1 3 364.453 2.831 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2cc(Br)c(-c3nnn[n-]3)cc2F)C1 ZINC001590055010 1080982508 /nfs/dbraw/zinc/98/25/08/1080982508.db2.gz OUFXFCVYBLVVNO-AWEZNQCLSA-N -1 3 365.210 2.898 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2cc(Br)c(-c3nn[n-]n3)cc2F)C1 ZINC001590055010 1080982511 /nfs/dbraw/zinc/98/25/11/1080982511.db2.gz OUFXFCVYBLVVNO-AWEZNQCLSA-N -1 3 365.210 2.898 20 30 FFEDHM CC1(C)CCCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)[C@H]1C#N ZINC001590095854 1081007681 /nfs/dbraw/zinc/00/76/81/1081007681.db2.gz BTZRIZKUECRSFO-AWEZNQCLSA-N -1 3 362.384 2.982 20 30 FFEDHM CC1(C)CCCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)[C@H]1C#N ZINC001590095854 1081007687 /nfs/dbraw/zinc/00/76/87/1081007687.db2.gz BTZRIZKUECRSFO-AWEZNQCLSA-N -1 3 362.384 2.982 20 30 FFEDHM C[C@@H]1CCC[C@H](CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC001590240998 1081115347 /nfs/dbraw/zinc/11/53/47/1081115347.db2.gz FUTFOHMESVFLCR-LTCOOKNTSA-N -1 3 366.469 2.737 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1F ZINC000105921132 210137737 /nfs/dbraw/zinc/13/77/37/210137737.db2.gz LDSNGDPMBCFADH-WOSRLPQWSA-N -1 3 368.474 2.845 20 30 FFEDHM N#Cc1cc(Oc2ccc(NC(=O)[N-]OC[C@@H]3CCOC3)cc2)ccn1 ZINC000289655212 257292355 /nfs/dbraw/zinc/29/23/55/257292355.db2.gz DFVAMRUAQFCYIA-CYBMUJFWSA-N -1 3 354.366 2.835 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]c3ncc(C#N)cc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000295638375 257640558 /nfs/dbraw/zinc/64/05/58/257640558.db2.gz XZOKPZVYCPPUHD-VXGBXAGGSA-N -1 3 354.370 2.614 20 30 FFEDHM CCC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCOCC1 ZINC000330671758 258167956 /nfs/dbraw/zinc/16/79/56/258167956.db2.gz CLHWFBNSDPYWBD-UHFFFAOYSA-N -1 3 373.272 2.558 20 30 FFEDHM CC[C@](C)([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1nc(C)cs1 ZINC000331124104 258177939 /nfs/dbraw/zinc/17/79/39/258177939.db2.gz HDTLKEBEBWFAFE-HNNXBMFYSA-N -1 3 350.469 2.630 20 30 FFEDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000032592157 506267866 /nfs/dbraw/zinc/26/78/66/506267866.db2.gz FAWSTVLZCGQMKS-UHFFFAOYSA-N -1 3 363.826 2.714 20 30 FFEDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410199014 512221436 /nfs/dbraw/zinc/22/14/36/512221436.db2.gz NJFPAZQSAXCJOW-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM Cc1sc2[n-]c(Cn3cnnc3C#N)nc(=O)c2c1-c1ccc(C)cc1 ZINC000054746887 506611467 /nfs/dbraw/zinc/61/14/67/506611467.db2.gz RIIGCFLARHBKES-UHFFFAOYSA-N -1 3 362.418 2.780 20 30 FFEDHM CC1CCC(N2C[C@H](C(=O)Nc3nnc(-c4ccccn4)[n-]3)CC2=O)CC1 ZINC000066827429 506654320 /nfs/dbraw/zinc/65/43/20/506654320.db2.gz WDEXKWBYVMSXSW-ROKHWSDSSA-N -1 3 368.441 2.882 20 30 FFEDHM CC1CCC(N2C[C@H](C(=O)Nc3nc(-c4ccccn4)n[n-]3)CC2=O)CC1 ZINC000066827429 506654326 /nfs/dbraw/zinc/65/43/26/506654326.db2.gz WDEXKWBYVMSXSW-ROKHWSDSSA-N -1 3 368.441 2.882 20 30 FFEDHM CC1CCC(N2C[C@H](C(=O)Nc3n[n-]c(-c4ccccn4)n3)CC2=O)CC1 ZINC000066827429 506654333 /nfs/dbraw/zinc/65/43/33/506654333.db2.gz WDEXKWBYVMSXSW-ROKHWSDSSA-N -1 3 368.441 2.882 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)ccc1Cl ZINC000055583368 506787972 /nfs/dbraw/zinc/78/79/72/506787972.db2.gz JRTKYSHFWRMFGF-UHFFFAOYSA-N -1 3 370.217 2.765 20 30 FFEDHM C=CCOc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000056645026 507065435 /nfs/dbraw/zinc/06/54/35/507065435.db2.gz PVCYMKDWJKZQEH-UHFFFAOYSA-N -1 3 355.394 2.509 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1cccc(F)c1 ZINC000068180105 507139810 /nfs/dbraw/zinc/13/98/10/507139810.db2.gz SLKRDVLKRIEUCM-UHFFFAOYSA-N -1 3 355.413 2.684 20 30 FFEDHM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000047372323 507317252 /nfs/dbraw/zinc/31/72/52/507317252.db2.gz DQFROXBUEJKHHM-ZDUSSCGKSA-N -1 3 358.283 2.566 20 30 FFEDHM COc1ccc([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000061241285 507604580 /nfs/dbraw/zinc/60/45/80/507604580.db2.gz WRHHVYKWFDLUAM-GFCCVEGCSA-N -1 3 371.412 2.821 20 30 FFEDHM C=CCNC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028261991 507717706 /nfs/dbraw/zinc/71/77/06/507717706.db2.gz YPLNXNNVPTVEAA-UHFFFAOYSA-N -1 3 361.448 2.780 20 30 FFEDHM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000063803307 507772219 /nfs/dbraw/zinc/77/22/19/507772219.db2.gz UCZLTMDAVBGQED-UHFFFAOYSA-N -1 3 366.826 2.762 20 30 FFEDHM C[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000064333102 507790749 /nfs/dbraw/zinc/79/07/49/507790749.db2.gz OXHIXEFODLSOJX-LBPRGKRZSA-N -1 3 361.398 2.658 20 30 FFEDHM C=CCOc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000081323634 508162242 /nfs/dbraw/zinc/16/22/42/508162242.db2.gz ITXKOILKKMJFHQ-UHFFFAOYSA-N -1 3 352.390 2.966 20 30 FFEDHM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731358 508206855 /nfs/dbraw/zinc/20/68/55/508206855.db2.gz DVGKEEHXVZICGP-QMMMGPOBSA-N -1 3 351.357 2.889 20 30 FFEDHM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731358 508206857 /nfs/dbraw/zinc/20/68/57/508206857.db2.gz DVGKEEHXVZICGP-QMMMGPOBSA-N -1 3 351.357 2.889 20 30 FFEDHM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731358 508206861 /nfs/dbraw/zinc/20/68/61/508206861.db2.gz DVGKEEHXVZICGP-QMMMGPOBSA-N -1 3 351.357 2.889 20 30 FFEDHM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081730945 508207192 /nfs/dbraw/zinc/20/71/92/508207192.db2.gz KXDDNMSGSHKHMV-MRVPVSSYSA-N -1 3 361.308 2.749 20 30 FFEDHM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081730945 508207194 /nfs/dbraw/zinc/20/71/94/508207194.db2.gz KXDDNMSGSHKHMV-MRVPVSSYSA-N -1 3 361.308 2.749 20 30 FFEDHM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081730945 508207196 /nfs/dbraw/zinc/20/71/96/508207196.db2.gz KXDDNMSGSHKHMV-MRVPVSSYSA-N -1 3 361.308 2.749 20 30 FFEDHM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000103799892 508322440 /nfs/dbraw/zinc/32/24/40/508322440.db2.gz GCAZFHGKEMUYPY-MRXNPFEDSA-N -1 3 365.437 2.586 20 30 FFEDHM Cc1nc(C)c(CCC(=O)Nc2cccc(OCCCC#N)c2)c(=O)[n-]1 ZINC000077702081 508354149 /nfs/dbraw/zinc/35/41/49/508354149.db2.gz QDBMIBTUAJHMKU-UHFFFAOYSA-N -1 3 354.410 2.641 20 30 FFEDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000156443124 508422211 /nfs/dbraw/zinc/42/22/11/508422211.db2.gz XPSVHKVIBJYAOF-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCCC2)c1 ZINC000156579220 508443722 /nfs/dbraw/zinc/44/37/22/508443722.db2.gz BYPFSYMORSMIFG-UHFFFAOYSA-N -1 3 374.441 2.561 20 30 FFEDHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156618698 508451688 /nfs/dbraw/zinc/45/16/88/508451688.db2.gz CKESBCTWJYSCLO-ZDUSSCGKSA-N -1 3 359.407 2.684 20 30 FFEDHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156695161 508463949 /nfs/dbraw/zinc/46/39/49/508463949.db2.gz YNJNOYRFWAIRQQ-LLVKDONJSA-N -1 3 363.370 2.515 20 30 FFEDHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000156788168 508476901 /nfs/dbraw/zinc/47/69/01/508476901.db2.gz STQZXJQDFXLDGZ-UHFFFAOYSA-N -1 3 359.407 2.604 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000127831921 508507001 /nfs/dbraw/zinc/50/70/01/508507001.db2.gz MANCHIPLIPLUMI-WFASDCNBSA-N -1 3 356.875 2.821 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000157185535 508534399 /nfs/dbraw/zinc/53/43/99/508534399.db2.gz PJUYMILIOHGJDE-UHFFFAOYSA-N -1 3 357.391 2.691 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000157835681 508620334 /nfs/dbraw/zinc/62/03/34/508620334.db2.gz JFEYXWBJPLRHLM-QWHCGFSZSA-N -1 3 362.373 2.813 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1c(C)nn(C)c1C ZINC000123221619 508654185 /nfs/dbraw/zinc/65/41/85/508654185.db2.gz GNJFXBBPEFUGLE-AWEZNQCLSA-N -1 3 366.874 2.992 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c1 ZINC000153960649 508686416 /nfs/dbraw/zinc/68/64/16/508686416.db2.gz VQAYBHLRHZZQAK-UHFFFAOYSA-N -1 3 373.503 2.908 20 30 FFEDHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000119162835 508739016 /nfs/dbraw/zinc/73/90/16/508739016.db2.gz SUXOUPBQPZZOLI-CYBMUJFWSA-N -1 3 364.389 2.652 20 30 FFEDHM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000119237927 508754995 /nfs/dbraw/zinc/75/49/95/508754995.db2.gz RSAGMARCSMCCGZ-QMTHXVAHSA-N -1 3 364.389 2.652 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1n1cccn1 ZINC000124330241 508816617 /nfs/dbraw/zinc/81/66/17/508816617.db2.gz FYJTWSVGYPBPDH-GJZGRUSLSA-N -1 3 364.858 2.870 20 30 FFEDHM C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000124726457 508875613 /nfs/dbraw/zinc/87/56/13/508875613.db2.gz VWVSDTQATWRWGS-CJNGLKHVSA-N -1 3 362.426 2.530 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cccc(C#N)c2)C1=O ZINC000119894171 508885464 /nfs/dbraw/zinc/88/54/64/508885464.db2.gz FRFRCNMDTGYFHL-IBGZPJMESA-N -1 3 356.426 2.874 20 30 FFEDHM CCn1c2ccccc2nc1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151112920 508959214 /nfs/dbraw/zinc/95/92/14/508959214.db2.gz GAWNEMTVLXBJEQ-UHFFFAOYSA-N -1 3 372.425 2.588 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000126838912 509136059 /nfs/dbraw/zinc/13/60/59/509136059.db2.gz YSYNKLXVKKWBGS-UHFFFAOYSA-N -1 3 363.395 2.892 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192225168 509413633 /nfs/dbraw/zinc/41/36/33/509413633.db2.gz FFHOMHWUOFRRQD-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM CCCOc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1 ZINC000264428633 509523205 /nfs/dbraw/zinc/52/32/05/509523205.db2.gz KCWQKMOFKJVHTM-UHFFFAOYSA-N -1 3 368.437 2.709 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c1 ZINC000164700496 509527087 /nfs/dbraw/zinc/52/70/87/509527087.db2.gz VWHIZRHXBWBPNU-UHFFFAOYSA-N -1 3 351.428 2.651 20 30 FFEDHM COc1ccc(OCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000186147299 509546758 /nfs/dbraw/zinc/54/67/58/509546758.db2.gz HZJGZPQGHSPWCU-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)cn1 ZINC000186174381 509560271 /nfs/dbraw/zinc/56/02/71/509560271.db2.gz IROGGXJZXOMMFK-UHFFFAOYSA-N -1 3 368.393 2.633 20 30 FFEDHM Cc1csc([C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)n1 ZINC000173409467 509581427 /nfs/dbraw/zinc/58/14/27/509581427.db2.gz ORLZAZQXWKPFOL-KRWDZBQOSA-N -1 3 370.478 2.828 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(CCO)CCCCC1 ZINC000186276493 509618987 /nfs/dbraw/zinc/61/89/87/509618987.db2.gz BEWOMDIBQVVLMZ-UHFFFAOYSA-N -1 3 356.875 2.823 20 30 FFEDHM C=CC[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000186862871 509919284 /nfs/dbraw/zinc/91/92/84/509919284.db2.gz HSQXMOTYIFYGEY-IBGZPJMESA-N -1 3 352.434 2.988 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)c1 ZINC000184497386 510356794 /nfs/dbraw/zinc/35/67/94/510356794.db2.gz OLDDEYCPLBCQMD-UHFFFAOYSA-N -1 3 372.780 2.847 20 30 FFEDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246219683 510373106 /nfs/dbraw/zinc/37/31/06/510373106.db2.gz UPLPRMGJEHEXNA-QLEMLULZSA-N -1 3 374.915 2.570 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Oc1ccccc1 ZINC000184708327 510474780 /nfs/dbraw/zinc/47/47/80/510474780.db2.gz MOZSQJQVFJUXEN-GFCCVEGCSA-N -1 3 350.827 2.957 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000191092560 510501570 /nfs/dbraw/zinc/50/15/70/510501570.db2.gz NZSHCUFQXVONCF-BMIGLBTASA-N -1 3 356.469 2.594 20 30 FFEDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184818285 510528653 /nfs/dbraw/zinc/52/86/53/510528653.db2.gz OXEWMHQAPHWACW-SECBINFHSA-N -1 3 353.831 2.726 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000178532491 510649585 /nfs/dbraw/zinc/64/95/85/510649585.db2.gz QDSFXCWTMUWQCK-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000182216599 510818839 /nfs/dbraw/zinc/81/88/39/510818839.db2.gz HJCLJZAWNGIVGJ-ORAYPTAESA-N -1 3 364.449 2.801 20 30 FFEDHM Cc1cc(C)c(N2CC[C@@H](/N=C/c3c([O-])c(C)ncc3CO)C2=O)c(C)c1 ZINC000276432569 510938255 /nfs/dbraw/zinc/93/82/55/510938255.db2.gz LDTYXMHYOLOTEG-ZICLHRSZSA-N -1 3 367.449 2.738 20 30 FFEDHM COC(=O)c1cnc(SCC(=O)N(CCC#N)c2cccc(C)c2C)[n-]1 ZINC000278675789 511003307 /nfs/dbraw/zinc/00/33/07/511003307.db2.gz ORBZJQLQESZOMB-UHFFFAOYSA-N -1 3 372.450 2.852 20 30 FFEDHM Cc1c(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)nnn1-c1ccn(C)n1 ZINC000297661402 511026068 /nfs/dbraw/zinc/02/60/68/511026068.db2.gz FFINYSSTQFAEIG-UHFFFAOYSA-N -1 3 369.454 2.792 20 30 FFEDHM C[C@H](N=Cc1ccc(O)c([O-])c1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291035617 511156608 /nfs/dbraw/zinc/15/66/08/511156608.db2.gz XQOSZNBGMAKIJK-OVMKCGGTSA-N -1 3 355.394 2.903 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCSC2)c(C(F)(F)F)c1 ZINC000279709942 511185938 /nfs/dbraw/zinc/18/59/38/511185938.db2.gz HWFJCZZEDQBQII-SNVBAGLBSA-N -1 3 350.387 2.608 20 30 FFEDHM C=CCN1CC[C@H](N(C)C(=O)CCc2ccc3ccccc3c2[O-])C1=O ZINC000295095530 511280426 /nfs/dbraw/zinc/28/04/26/511280426.db2.gz GMADOYPTBWQKFJ-SFHVURJKSA-N -1 3 352.434 2.723 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc1Br ZINC000295158263 511303371 /nfs/dbraw/zinc/30/33/71/511303371.db2.gz CXVVTYXJERHVIG-GFCCVEGCSA-N -1 3 359.245 2.632 20 30 FFEDHM C#C[C@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C(C)(C)C ZINC000291808108 511346584 /nfs/dbraw/zinc/34/65/84/511346584.db2.gz XZDRYLJGRJLRCQ-INIZCTEOSA-N -1 3 355.394 2.719 20 30 FFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)o1 ZINC000291833291 511356784 /nfs/dbraw/zinc/35/67/84/511356784.db2.gz GDWBHQBRARGXMT-UHFFFAOYSA-N -1 3 353.831 2.939 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(C)o1 ZINC000272149396 511447393 /nfs/dbraw/zinc/44/73/93/511447393.db2.gz LVQLZPCLGDEUEX-HNNXBMFYSA-N -1 3 352.387 2.655 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2O[C@H](C)C#N)c([O-])c1 ZINC000273478656 511527697 /nfs/dbraw/zinc/52/76/97/511527697.db2.gz KEXRMAPAZGHHLY-CQSZACIVSA-N -1 3 367.405 2.750 20 30 FFEDHM O=C(c1ccc2c(c1)COC2)C(C(=S)[N-]C1CCC1)[n+]1cccc([O-])c1 ZINC000292389674 511579128 /nfs/dbraw/zinc/57/91/28/511579128.db2.gz VLUAQJKVSZXGJB-UHFFFAOYSA-O -1 3 369.466 2.791 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1 ZINC000292433720 511595949 /nfs/dbraw/zinc/59/59/49/511595949.db2.gz WIOWMCLVWHZYKA-UHFFFAOYSA-N -1 3 365.199 2.644 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)C[C@@H](C)C#N)cs2)c1 ZINC000274148465 511733905 /nfs/dbraw/zinc/73/39/05/511733905.db2.gz FCDLAYWFQUTFTB-LBPRGKRZSA-N -1 3 372.450 2.570 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc3cc[nH]c3n2)no1 ZINC000350900660 511903581 /nfs/dbraw/zinc/90/35/81/511903581.db2.gz BSTZYWPGDZBAOL-UHFFFAOYSA-N -1 3 360.377 2.987 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC2CCC(F)(F)CC2)NC(=O)[N-]C1=O ZINC000329365269 512034534 /nfs/dbraw/zinc/03/45/34/512034534.db2.gz GIDLOMHHFOKFMY-XHDPSFHLSA-N -1 3 358.389 2.976 20 30 FFEDHM C=CCCc1noc(-c2cc(C3CC3)nc3c2c(=O)[n-]c(=O)n3CCC)n1 ZINC000297211792 512063089 /nfs/dbraw/zinc/06/30/89/512063089.db2.gz GRJHCCZPTDHFDU-UHFFFAOYSA-N -1 3 367.409 2.953 20 30 FFEDHM COCCCOc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1OC ZINC000285314393 512074960 /nfs/dbraw/zinc/07/49/60/512074960.db2.gz KKHZMSCYJIAQLP-SRZZPIQSSA-N -1 3 360.410 2.762 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)s1 ZINC000366615676 512102880 /nfs/dbraw/zinc/10/28/80/512102880.db2.gz CGYZHDQVKWIPEM-UHFFFAOYSA-N -1 3 356.432 2.555 20 30 FFEDHM COCCCO[N-]C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000367761068 512650582 /nfs/dbraw/zinc/65/05/82/512650582.db2.gz OUGJUSOLIAYFOI-UHFFFAOYSA-N -1 3 365.861 2.902 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(C[N-]S(=O)(=O)c3cccc(F)c3F)n2)c1 ZINC000378437127 512758750 /nfs/dbraw/zinc/75/87/50/512758750.db2.gz FKQVXDXBANEGCG-UHFFFAOYSA-N -1 3 374.372 2.705 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN2Cc2ccccc2)s1 ZINC000390783347 512910453 /nfs/dbraw/zinc/91/04/53/512910453.db2.gz LVIRAPHMWZMYJW-HNNXBMFYSA-N -1 3 361.492 2.563 20 30 FFEDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CCC2 ZINC000370437937 512933781 /nfs/dbraw/zinc/93/37/81/512933781.db2.gz DHSPQOOOBJDWMP-CYBMUJFWSA-N -1 3 364.858 2.573 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c(F)c1 ZINC000440055235 513237270 /nfs/dbraw/zinc/23/72/70/513237270.db2.gz UKYKKJDBCVYVQY-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM N#Cc1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)c(OC(F)F)c1 ZINC000450919903 513405515 /nfs/dbraw/zinc/40/55/15/513405515.db2.gz QWAZKSQYKLUHGT-UHFFFAOYSA-N -1 3 350.325 2.628 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000425178670 513439542 /nfs/dbraw/zinc/43/95/42/513439542.db2.gz MRGUEZJEQHMZNM-ONGXEEELSA-N -1 3 369.336 2.594 20 30 FFEDHM CCOC(=O)c1ccc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000450993540 513445391 /nfs/dbraw/zinc/44/53/91/513445391.db2.gz VYCMJSANUJVCHS-KSSFIOAISA-N -1 3 364.467 2.755 20 30 FFEDHM C=CCCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000441385923 513557411 /nfs/dbraw/zinc/55/74/11/513557411.db2.gz NWPRZQOOECNXBX-UHFFFAOYSA-N -1 3 374.865 2.620 20 30 FFEDHM C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCC1 ZINC000441392455 513559451 /nfs/dbraw/zinc/55/94/51/513559451.db2.gz JHXHSJBPNIBIGL-UHFFFAOYSA-N -1 3 374.865 2.620 20 30 FFEDHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)N2CCCC2)o1 ZINC000435421551 513578528 /nfs/dbraw/zinc/57/85/28/513578528.db2.gz JZNSTBYKGGWRAE-AWEZNQCLSA-N -1 3 365.480 2.637 20 30 FFEDHM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416384592 513744104 /nfs/dbraw/zinc/74/41/04/513744104.db2.gz IWMGLYXERUUSOV-GWCFXTLKSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416465112 513787126 /nfs/dbraw/zinc/78/71/26/513787126.db2.gz KOBCXUREWKKWGS-ZETCQYMHSA-N -1 3 371.178 2.940 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1-n1ccnc1 ZINC000443010115 513841157 /nfs/dbraw/zinc/84/11/57/513841157.db2.gz AOKQGEDHCLAWOW-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM CN(c1ccc([O-])cc1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000436478997 513867564 /nfs/dbraw/zinc/86/75/64/513867564.db2.gz SSUBTISYCHTKSE-UHFFFAOYSA-N -1 3 367.224 2.851 20 30 FFEDHM COC(=O)C1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCCCC1 ZINC000443094843 513869179 /nfs/dbraw/zinc/86/91/79/513869179.db2.gz PWWIKQQCLGNDGR-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM COC1([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000416624584 513873271 /nfs/dbraw/zinc/87/32/71/513873271.db2.gz ZPSDICXZGBFXCS-JTQLQIEISA-N -1 3 362.373 2.813 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)oc1C ZINC000416654924 513891406 /nfs/dbraw/zinc/89/14/06/513891406.db2.gz ARJFHOWPZXNDPO-MRXNPFEDSA-N -1 3 374.418 2.602 20 30 FFEDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000451654114 513891459 /nfs/dbraw/zinc/89/14/59/513891459.db2.gz NWUAPPDQBJLLSX-SNVBAGLBSA-N -1 3 370.780 2.847 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C1CC1 ZINC000431587243 513937322 /nfs/dbraw/zinc/93/73/22/513937322.db2.gz VUHMIAGACVGJAK-MRXNPFEDSA-N -1 3 371.418 2.939 20 30 FFEDHM CNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436680127 513940644 /nfs/dbraw/zinc/94/06/44/513940644.db2.gz IIZMKOWATUOGKQ-QGZVFWFLSA-N -1 3 364.405 2.549 20 30 FFEDHM N#Cc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000436758528 513969153 /nfs/dbraw/zinc/96/91/53/513969153.db2.gz YOTNQNWNOIGNRK-UHFFFAOYSA-N -1 3 369.808 2.515 20 30 FFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000451810462 513995168 /nfs/dbraw/zinc/99/51/68/513995168.db2.gz LNFBGUZZPRWHHJ-UHFFFAOYSA-N -1 3 361.847 2.626 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(OCC2CCOCC2)c1 ZINC000416942553 514058396 /nfs/dbraw/zinc/05/83/96/514058396.db2.gz BGOWTVKPHSBCIF-INIZCTEOSA-N -1 3 352.456 2.844 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 ZINC000416941846 514058860 /nfs/dbraw/zinc/05/88/60/514058860.db2.gz QTOAROAHZOVDBI-ZDUSSCGKSA-N -1 3 365.455 2.502 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000451911749 514064864 /nfs/dbraw/zinc/06/48/64/514064864.db2.gz QRPHQEFPXIPSME-OLZOCXBDSA-N -1 3 364.236 2.600 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC)c(Oc2ccc(C)nn2)c1 ZINC000416955916 514066665 /nfs/dbraw/zinc/06/66/65/514066665.db2.gz MOUVEGVMUIUBPM-CYBMUJFWSA-N -1 3 362.411 2.630 20 30 FFEDHM C=CCOC[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)OC ZINC000436994390 514068501 /nfs/dbraw/zinc/06/85/01/514068501.db2.gz MLJIATFNBBLIFZ-QGZVFWFLSA-N -1 3 371.389 2.659 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)cc1F ZINC000427760422 514305038 /nfs/dbraw/zinc/30/50/38/514305038.db2.gz CVNFWGUSCWASHN-UHFFFAOYSA-N -1 3 361.276 2.618 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000428400282 514466349 /nfs/dbraw/zinc/46/63/49/514466349.db2.gz CUMCRQFWBHJMDT-ZDUSSCGKSA-N -1 3 363.826 2.799 20 30 FFEDHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000507965030 514627064 /nfs/dbraw/zinc/62/70/64/514627064.db2.gz BETZKGBVGJBMOL-UHFFFAOYSA-N -1 3 362.382 2.604 20 30 FFEDHM C=CC[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000461611513 514664804 /nfs/dbraw/zinc/66/48/04/514664804.db2.gz TXLWBTGKHASGHW-CQSZACIVSA-N -1 3 351.406 2.881 20 30 FFEDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475578630 514719548 /nfs/dbraw/zinc/71/95/48/514719548.db2.gz PULIJSLOTQIAKL-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM CSc1ccc(-c2nsc([N-]C(=O)c3cnn(C)c3C#N)n2)cc1 ZINC000480195525 514874669 /nfs/dbraw/zinc/87/46/69/514874669.db2.gz JBANQNVEESIHBZ-UHFFFAOYSA-N -1 3 356.436 2.784 20 30 FFEDHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000476331476 515006474 /nfs/dbraw/zinc/00/64/74/515006474.db2.gz CRYHJRNTCNLIOT-OAHLLOKOSA-N -1 3 366.483 2.856 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(=O)NC(C)C)cc3)nc1-2 ZINC000503407988 515022163 /nfs/dbraw/zinc/02/21/63/515022163.db2.gz SJTWABVRDWTIBT-HNNXBMFYSA-N -1 3 361.405 2.895 20 30 FFEDHM COCCCC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000480627184 515024547 /nfs/dbraw/zinc/02/45/47/515024547.db2.gz SCGXHXFMQCCYFJ-MRXNPFEDSA-N -1 3 359.451 2.790 20 30 FFEDHM O=C(CCOCC(F)(F)C(F)(F)F)[N-]C1(C(F)(F)F)CCOCC1 ZINC000485624308 515116842 /nfs/dbraw/zinc/11/68/42/515116842.db2.gz IMSIIBPFKOAHTH-UHFFFAOYSA-N -1 3 373.240 2.818 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCOC1 ZINC000503844307 515151306 /nfs/dbraw/zinc/15/13/06/515151306.db2.gz IUKNPVRNUNWITQ-PWSUYJOCSA-N -1 3 362.373 2.670 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1C#N ZINC000476845132 515215763 /nfs/dbraw/zinc/21/57/63/515215763.db2.gz AQQGNTJQKGDXFX-UHFFFAOYSA-N -1 3 358.814 2.640 20 30 FFEDHM Cn1nc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)cc1OC(F)F ZINC000468815782 515531780 /nfs/dbraw/zinc/53/17/80/515531780.db2.gz CQDUJOGTBBETHZ-UHFFFAOYSA-N -1 3 359.292 2.800 20 30 FFEDHM CC(C)(C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1cc(F)cc(C#N)c1 ZINC000483013373 515883247 /nfs/dbraw/zinc/88/32/47/515883247.db2.gz STWFYCBXMAVRBY-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1cc(F)cc(C#N)c1 ZINC000483013373 515883258 /nfs/dbraw/zinc/88/32/58/515883258.db2.gz STWFYCBXMAVRBY-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1cc(F)cc(C#N)c1 ZINC000483013373 515883267 /nfs/dbraw/zinc/88/32/67/515883267.db2.gz STWFYCBXMAVRBY-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511380105 515884369 /nfs/dbraw/zinc/88/43/69/515884369.db2.gz DZTVNUYXTRJXBR-OAHLLOKOSA-N -1 3 352.232 2.686 20 30 FFEDHM C=CCNC(=O)c1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000483152112 515954366 /nfs/dbraw/zinc/95/43/66/515954366.db2.gz DEPPJYRHUBHGHI-UHFFFAOYSA-N -1 3 356.378 2.578 20 30 FFEDHM CN1C(=O)c2ccc(C([O-])=C(C#N)c3nccc4ccccc43)cc2C1=O ZINC000483219160 515989252 /nfs/dbraw/zinc/98/92/52/515989252.db2.gz ROEXYAHTTABOCZ-QGZVFWFLSA-N -1 3 355.353 2.951 20 30 FFEDHM Cn1nc(C([O-])=C(C#N)c2nccc3ccccc32)c(=O)c2ccccc21 ZINC000483219019 515989996 /nfs/dbraw/zinc/98/99/96/515989996.db2.gz JFVPGSFCCKUHOE-MRXNPFEDSA-N -1 3 354.369 2.972 20 30 FFEDHM C=CCCN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000469892211 516019422 /nfs/dbraw/zinc/01/94/22/516019422.db2.gz IGJOYXCEOJZKFI-UHFFFAOYSA-N -1 3 365.282 2.696 20 30 FFEDHM Cn1ncc2c1ncc(C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1)c2[O-] ZINC000512050148 516131302 /nfs/dbraw/zinc/13/13/02/516131302.db2.gz RRMSVBSFUOEYNO-MRXNPFEDSA-N -1 3 363.421 2.966 20 30 FFEDHM N#Cc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000535465580 516364419 /nfs/dbraw/zinc/36/44/19/516364419.db2.gz BAITVKYTCZDRQK-UHFFFAOYSA-N -1 3 363.417 2.684 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)s1 ZINC000528460528 516454369 /nfs/dbraw/zinc/45/43/69/516454369.db2.gz DSXLWUDBUAKZBM-NWANDNLSSA-N -1 3 350.852 2.890 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000557844722 516467284 /nfs/dbraw/zinc/46/72/84/516467284.db2.gz RKONXADMQCZWTD-UHFFFAOYSA-N -1 3 366.240 2.579 20 30 FFEDHM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCCC2)c(F)c1 ZINC000528479574 516469620 /nfs/dbraw/zinc/46/96/20/516469620.db2.gz WTCVTMYMTIKPCJ-CQSZACIVSA-N -1 3 369.437 2.522 20 30 FFEDHM CN1Cc2ccccc2[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000536023842 516596121 /nfs/dbraw/zinc/59/61/21/516596121.db2.gz ZLUNJQHPGTXENM-INIZCTEOSA-N -1 3 361.854 2.677 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000513407992 516610795 /nfs/dbraw/zinc/61/07/95/516610795.db2.gz JQUVCWDJOKUQMS-UHFFFAOYSA-N -1 3 359.382 2.691 20 30 FFEDHM CCc1cccc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1[O-] ZINC000536686494 516894186 /nfs/dbraw/zinc/89/41/86/516894186.db2.gz PJOVPKJLOZDLCF-OAHLLOKOSA-N -1 3 370.405 2.975 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)c1 ZINC000555413560 516916459 /nfs/dbraw/zinc/91/64/59/516916459.db2.gz SNUZCTVNVUOGRK-CQSZACIVSA-N -1 3 356.875 2.679 20 30 FFEDHM COCCOc1ccc(C#N)cc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000541354125 517007716 /nfs/dbraw/zinc/00/77/16/517007716.db2.gz YZQWHVMDLYSNRP-UHFFFAOYSA-N -1 3 364.361 2.886 20 30 FFEDHM CC(C#N)C(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000532830400 517162383 /nfs/dbraw/zinc/16/23/83/517162383.db2.gz NICUEALFZJQNKC-RYUDHWBXSA-N -1 3 363.464 2.886 20 30 FFEDHM CC(C)(C)C1CCC(O)(C[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000545366840 517201771 /nfs/dbraw/zinc/20/17/71/517201771.db2.gz UWGDTRVBNFAJQP-UHFFFAOYSA-N -1 3 356.532 2.957 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-][C@]1(C#N)CCc2ccccc2C1)c1ccccc1 ZINC000562706670 517321440 /nfs/dbraw/zinc/32/14/40/517321440.db2.gz BRBDZDBJHKYNJB-VQTJNVASSA-N -1 3 370.474 2.745 20 30 FFEDHM COCc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C#N ZINC000529816834 517361705 /nfs/dbraw/zinc/36/17/05/517361705.db2.gz TVCDJGBZLMCOQZ-UHFFFAOYSA-N -1 3 364.405 2.865 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO[C@H]1C1CC1 ZINC000545927997 517440672 /nfs/dbraw/zinc/44/06/72/517440672.db2.gz WZFJPEZXWNUJAI-HOTGVXAUSA-N -1 3 354.859 2.695 20 30 FFEDHM Cc1cc(=NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[nH]n1[C@@H](C)C1CC1 ZINC000542227818 517448594 /nfs/dbraw/zinc/44/85/94/517448594.db2.gz BIOHMIBKAXKIAU-AWEZNQCLSA-N -1 3 367.453 2.745 20 30 FFEDHM C=CCN(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OCC ZINC000527095756 517502386 /nfs/dbraw/zinc/50/23/86/517502386.db2.gz OHTOFHPIHWMOOI-UHFFFAOYSA-N -1 3 352.456 2.706 20 30 FFEDHM Cc1ncc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)c(=O)[n-]1 ZINC000542371534 517525167 /nfs/dbraw/zinc/52/51/67/517525167.db2.gz AIOPCDVLYJERQP-UHFFFAOYSA-N -1 3 359.389 2.607 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)c2=O ZINC000538323632 517565346 /nfs/dbraw/zinc/56/53/46/517565346.db2.gz QEVBESIDHQBLRK-WYRIXSBYSA-N -1 3 357.385 2.878 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(Br)cc1 ZINC000527355830 517656002 /nfs/dbraw/zinc/65/60/02/517656002.db2.gz RDHMVBAHZYTDMD-CYBMUJFWSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(Br)cc1 ZINC000527355830 517656012 /nfs/dbraw/zinc/65/60/12/517656012.db2.gz RDHMVBAHZYTDMD-CYBMUJFWSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Br)cc1 ZINC000527355830 517656021 /nfs/dbraw/zinc/65/60/21/517656021.db2.gz RDHMVBAHZYTDMD-CYBMUJFWSA-N -1 3 356.183 2.715 20 30 FFEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000521248067 517668242 /nfs/dbraw/zinc/66/82/42/517668242.db2.gz PSAIKNWTFVXGNN-MRXNPFEDSA-N -1 3 360.211 2.713 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc2ccccc2n1C(F)F ZINC000553774423 517897596 /nfs/dbraw/zinc/89/75/96/517897596.db2.gz RWUNVAKGMDGLQI-SECBINFHSA-N -1 3 366.349 2.936 20 30 FFEDHM CC(C)(C)c1csc([N-]C(=O)c2cn(CC3(C)COC3)nn2)c1C#N ZINC000560667976 517961102 /nfs/dbraw/zinc/96/11/02/517961102.db2.gz DQVLHYRHQWJRKJ-UHFFFAOYSA-N -1 3 359.455 2.798 20 30 FFEDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000575998074 518381051 /nfs/dbraw/zinc/38/10/51/518381051.db2.gz IDDDOTUCURAWRT-UHFFFAOYSA-N -1 3 359.407 2.604 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccccn1 ZINC000585708280 518569148 /nfs/dbraw/zinc/56/91/48/518569148.db2.gz PLOQQOHKINUGBA-JTQLQIEISA-N -1 3 366.240 2.755 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNCc3ccc(C#N)s3)c2)[n-]1 ZINC000570622101 518696757 /nfs/dbraw/zinc/69/67/57/518696757.db2.gz VUMWHGPSALOEGL-UHFFFAOYSA-N -1 3 367.434 2.871 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNCc3ccc(C#N)s3)c2)n[n-]1 ZINC000570622101 518696764 /nfs/dbraw/zinc/69/67/64/518696764.db2.gz VUMWHGPSALOEGL-UHFFFAOYSA-N -1 3 367.434 2.871 20 30 FFEDHM CCOC(=O)c1n[n-]c(-c2cccc(CNCc3ccc(C#N)s3)c2)n1 ZINC000570622101 518696768 /nfs/dbraw/zinc/69/67/68/518696768.db2.gz VUMWHGPSALOEGL-UHFFFAOYSA-N -1 3 367.434 2.871 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000564971922 518721477 /nfs/dbraw/zinc/72/14/77/518721477.db2.gz DJZLVYNCLFKBSS-KGLIPLIRSA-N -1 3 362.373 2.614 20 30 FFEDHM COCC1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCC1 ZINC000576768049 518754795 /nfs/dbraw/zinc/75/47/95/518754795.db2.gz LYTORJGUULLMRE-UHFFFAOYSA-N -1 3 373.272 2.558 20 30 FFEDHM N#C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCN1Cc1ccccc1 ZINC000577329268 519023569 /nfs/dbraw/zinc/02/35/69/519023569.db2.gz OPDFRRFOUPUEEK-HNNXBMFYSA-N -1 3 355.825 2.896 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(O[C@H]4CCOC4)cc3)nc1-2 ZINC000577578419 519147473 /nfs/dbraw/zinc/14/74/73/519147473.db2.gz IIHMSBINNMLKLX-HOTGVXAUSA-N -1 3 362.389 2.924 20 30 FFEDHM Cc1nc([N-]C(=O)c2cc(CN3CCCC3)on2)sc1SCC#N ZINC000574461008 519166144 /nfs/dbraw/zinc/16/61/44/519166144.db2.gz ZPOUEIGCCAUZJC-UHFFFAOYSA-N -1 3 363.468 2.903 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000577699070 519208366 /nfs/dbraw/zinc/20/83/66/519208366.db2.gz JEXYSNUNHJGUOX-AWEZNQCLSA-N -1 3 361.492 2.815 20 30 FFEDHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000568808870 519223662 /nfs/dbraw/zinc/22/36/62/519223662.db2.gz SCTJVSHIWLVFEI-AWEZNQCLSA-N -1 3 373.862 2.524 20 30 FFEDHM C[C@@]1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCN(Cc2ccccc2)C1 ZINC000580573878 519247466 /nfs/dbraw/zinc/24/74/66/519247466.db2.gz QDYTVYDKMZZNBF-LJQANCHMSA-N -1 3 373.453 2.640 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000583806646 519443097 /nfs/dbraw/zinc/44/30/97/519443097.db2.gz LSVSVOXFBZPALJ-YOEHRIQHSA-N -1 3 354.410 2.870 20 30 FFEDHM N#CCCN1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000591020559 519480148 /nfs/dbraw/zinc/48/01/48/519480148.db2.gz OACMMXPIKSXJBT-UHFFFAOYSA-N -1 3 369.450 2.688 20 30 FFEDHM C[C@@]1(c2ccc(-c3noc(-c4cccc(CC#N)c4)n3)cc2)NC(=O)[N-]C1=O ZINC000584025260 519551700 /nfs/dbraw/zinc/55/17/00/519551700.db2.gz XJXQBUAGTSXXLP-FQEVSTJZSA-N -1 3 373.372 2.524 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1C#N ZINC000572335022 519559481 /nfs/dbraw/zinc/55/94/81/519559481.db2.gz SWNQRJLRBCMUAT-UHFFFAOYSA-N -1 3 367.405 2.810 20 30 FFEDHM N#Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ncn1 ZINC000572361223 519576641 /nfs/dbraw/zinc/57/66/41/519576641.db2.gz ZEKRBGLZXOLESL-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000612377628 519927974 /nfs/dbraw/zinc/92/79/74/519927974.db2.gz PYGSBPOEAHAWNG-OAHLLOKOSA-N -1 3 352.232 2.990 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000594390487 519935654 /nfs/dbraw/zinc/93/56/54/519935654.db2.gz XCJJZERNNSYCFQ-MRXNPFEDSA-N -1 3 357.454 2.768 20 30 FFEDHM N#CC1(CC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CCCCC1 ZINC000597368494 519982483 /nfs/dbraw/zinc/98/24/83/519982483.db2.gz VCZJIZPKVYWOKR-UHFFFAOYSA-N -1 3 355.438 2.541 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594482721 519991220 /nfs/dbraw/zinc/99/12/20/519991220.db2.gz DLOILGKYDHXRKG-CABCVRRESA-N -1 3 353.875 2.507 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1C#N ZINC000594489403 519998684 /nfs/dbraw/zinc/99/86/84/519998684.db2.gz OJHOVULSOKKTJX-GXTWGEPZSA-N -1 3 362.373 2.645 20 30 FFEDHM CC(C)(CCC#N)CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603040588 520042081 /nfs/dbraw/zinc/04/20/81/520042081.db2.gz APGRHFYDWOCDGT-UHFFFAOYSA-N -1 3 351.760 2.972 20 30 FFEDHM COc1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c([O-])c1 ZINC000603161557 520126515 /nfs/dbraw/zinc/12/65/15/520126515.db2.gz OXODGCDDHNUPEY-INIZCTEOSA-N -1 3 351.406 2.623 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000594790660 520157673 /nfs/dbraw/zinc/15/76/73/520157673.db2.gz WBLSZAUDSVBCGT-RYUDHWBXSA-N -1 3 373.496 2.957 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592107182 520189106 /nfs/dbraw/zinc/18/91/06/520189106.db2.gz BZPJFOLGASMURJ-IRUJWGPZSA-N -1 3 355.257 2.788 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1(F)F ZINC000594858592 520194320 /nfs/dbraw/zinc/19/43/20/520194320.db2.gz SZGWYVAUNPBWKP-NSHDSACASA-N -1 3 365.199 2.644 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(CNc3ccc(C#N)cc3)n2)cc1 ZINC000612878971 520200423 /nfs/dbraw/zinc/20/04/23/520200423.db2.gz LUIDDSLJCWBDGL-UHFFFAOYSA-N -1 3 369.406 2.592 20 30 FFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2ccccc2n1CC#N ZINC000609161114 520214735 /nfs/dbraw/zinc/21/47/35/520214735.db2.gz LHIOKBAJZBYVHA-UHFFFAOYSA-N -1 3 368.418 2.789 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 ZINC000592352760 520344865 /nfs/dbraw/zinc/34/48/65/520344865.db2.gz NHOUXLCBZQTSTP-ZDUSSCGKSA-N -1 3 364.345 2.624 20 30 FFEDHM CCO[C@H](CS(=O)(=O)[N-]c1cccc(C#N)c1Br)C1CC1 ZINC000600654537 520376902 /nfs/dbraw/zinc/37/69/02/520376902.db2.gz ZGDFBOBKOQJJFH-CYBMUJFWSA-N -1 3 373.272 2.878 20 30 FFEDHM CCO[C@@H](CS(=O)(=O)[N-]c1cccc(C#N)c1Br)C1CC1 ZINC000600654538 520378697 /nfs/dbraw/zinc/37/86/97/520378697.db2.gz ZGDFBOBKOQJJFH-ZDUSSCGKSA-N -1 3 373.272 2.878 20 30 FFEDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000595352978 520423333 /nfs/dbraw/zinc/42/33/33/520423333.db2.gz HCWXNSKBSYTMIQ-MSOLQXFVSA-N -1 3 362.426 2.734 20 30 FFEDHM N#Cc1cnccc1[N-]C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000609786065 520431521 /nfs/dbraw/zinc/43/15/21/520431521.db2.gz HKBQVQKOPHBCSE-UHFFFAOYSA-N -1 3 364.386 2.522 20 30 FFEDHM COc1ccc(-c2nc([N-]C(=O)c3sccc3C#N)n[nH]2)cc1OC ZINC000609879616 520465839 /nfs/dbraw/zinc/46/58/39/520465839.db2.gz JNUBNBJJCGPWBT-UHFFFAOYSA-N -1 3 355.379 2.674 20 30 FFEDHM CN(CCC[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1F ZINC000610083100 520533233 /nfs/dbraw/zinc/53/32/33/520533233.db2.gz GFCHVTYVAVUXHY-UHFFFAOYSA-N -1 3 365.405 2.641 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@](C)(C#N)C3)nc(=O)c2c1C ZINC000595837975 520757068 /nfs/dbraw/zinc/75/70/68/520757068.db2.gz ORJJWCVDSVTGNG-BBATYDOGSA-N -1 3 374.466 2.766 20 30 FFEDHM N#CC1(CC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)CCOCC1 ZINC000598698643 520793811 /nfs/dbraw/zinc/79/38/11/520793811.db2.gz ARVBDKTUUSUMOK-UHFFFAOYSA-N -1 3 351.366 2.867 20 30 FFEDHM N#CC1(CC(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)CCOCC1 ZINC000598698643 520793817 /nfs/dbraw/zinc/79/38/17/520793817.db2.gz ARVBDKTUUSUMOK-UHFFFAOYSA-N -1 3 351.366 2.867 20 30 FFEDHM N#CC1(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CCOCC1 ZINC000598698643 520793823 /nfs/dbraw/zinc/79/38/23/520793823.db2.gz ARVBDKTUUSUMOK-UHFFFAOYSA-N -1 3 351.366 2.867 20 30 FFEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)CCCCC4)nn2c1 ZINC000598801921 520849611 /nfs/dbraw/zinc/84/96/11/520849611.db2.gz PSWMGCNOEXJUJU-UHFFFAOYSA-N -1 3 352.423 2.887 20 30 FFEDHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293425 520894592 /nfs/dbraw/zinc/89/45/92/520894592.db2.gz GNROULVWEIZCTB-UHFFFAOYSA-N -1 3 350.422 2.576 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000614297209 520896734 /nfs/dbraw/zinc/89/67/34/520896734.db2.gz WWYPBXOVNSCLPI-UHFFFAOYSA-N -1 3 371.387 2.936 20 30 FFEDHM CCc1onc(C)c1C(=O)[N-]c1sc2c(c1C#N)CCN(C(C)=O)C2 ZINC000598888841 520902894 /nfs/dbraw/zinc/90/28/94/520902894.db2.gz QVFFKEAWOWZMBS-UHFFFAOYSA-N -1 3 358.423 2.636 20 30 FFEDHM N#Cc1nc(NCCCCN=c2[n-]c(C#N)c(Cl)s2)sc1Cl ZINC000596165057 520947178 /nfs/dbraw/zinc/94/71/78/520947178.db2.gz JAPJGZKLCRMIBU-UHFFFAOYSA-N -1 3 373.294 2.798 20 30 FFEDHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000611016785 520948020 /nfs/dbraw/zinc/94/80/20/520948020.db2.gz SRQRBJYBAPSMRX-AWEZNQCLSA-N -1 3 362.382 2.508 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1OCCc2ccccc21 ZINC000611017889 520949102 /nfs/dbraw/zinc/94/91/02/520949102.db2.gz KBYMOQJBZXWOGR-INIZCTEOSA-N -1 3 362.838 2.804 20 30 FFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C12CCC2 ZINC000611023243 520950162 /nfs/dbraw/zinc/95/01/62/520950162.db2.gz FBDJRJPZPCGSKL-HUUCEWRRSA-N -1 3 354.859 2.838 20 30 FFEDHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593541366 521062412 /nfs/dbraw/zinc/06/24/12/521062412.db2.gz AIRKNDXTSPKTBR-UHFFFAOYSA-N -1 3 350.465 2.928 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593589713 521094442 /nfs/dbraw/zinc/09/44/42/521094442.db2.gz WVSMEQZAKNAKQW-OAHLLOKOSA-N -1 3 350.465 2.658 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c1 ZINC000593631713 521119801 /nfs/dbraw/zinc/11/98/01/521119801.db2.gz MFBNIPZZXIDAFY-MRXNPFEDSA-N -1 3 354.859 2.695 20 30 FFEDHM CC(C)(C)OC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCC1 ZINC000593633842 521122121 /nfs/dbraw/zinc/12/21/21/521122121.db2.gz UCLVWAQWHVIVMZ-UHFFFAOYSA-N -1 3 368.430 2.630 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000599306460 521141001 /nfs/dbraw/zinc/14/10/01/521141001.db2.gz XZQAEUFIFAJTSB-UHFFFAOYSA-N -1 3 364.345 2.566 20 30 FFEDHM COc1cccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1[O-] ZINC000602183785 521195213 /nfs/dbraw/zinc/19/52/13/521195213.db2.gz BAYHWACPTHFYIA-UHFFFAOYSA-N -1 3 351.406 2.989 20 30 FFEDHM N#C[C@@H](CCc1ccccc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000602194683 521202378 /nfs/dbraw/zinc/20/23/78/521202378.db2.gz LGMWJCVKDDUZPB-MRXNPFEDSA-N -1 3 350.422 2.838 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000599409124 521204575 /nfs/dbraw/zinc/20/45/75/521204575.db2.gz HHZPPYQKOSOPII-KBPBESRZSA-N -1 3 371.466 2.961 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599481727 521249588 /nfs/dbraw/zinc/24/95/88/521249588.db2.gz ILYNAXNGMNBXIH-DZGCQCFKSA-N -1 3 362.476 2.927 20 30 FFEDHM CC1(C)CN(C2(CNC(=O)c3ccc(C#N)c([O-])c3)CCCCC2)CCO1 ZINC000615477571 521417542 /nfs/dbraw/zinc/41/75/42/521417542.db2.gz SSHNTDUVSTUSGC-UHFFFAOYSA-N -1 3 371.481 2.807 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000612172714 521519383 /nfs/dbraw/zinc/51/93/83/521519383.db2.gz GIZUKJXMXGMMCM-LBPRGKRZSA-N -1 3 370.764 2.902 20 30 FFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccnn1C ZINC000615946627 521584292 /nfs/dbraw/zinc/58/42/92/521584292.db2.gz DLFOLWLSJUJDBU-AWEZNQCLSA-N -1 3 366.874 2.663 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000619488302 521593692 /nfs/dbraw/zinc/59/36/92/521593692.db2.gz NPBZNUDPNKAMSD-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM N#CC(=C([O-])c1ccnn1CCc1ccccc1)c1nnc2n1CCCCC2 ZINC000621707309 523031989 /nfs/dbraw/zinc/03/19/89/523031989.db2.gz SNKUBHIKKAWYIZ-QGZVFWFLSA-N -1 3 374.448 2.934 20 30 FFEDHM C=C(C)Cn1c(C2CCC2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634373111 523378159 /nfs/dbraw/zinc/37/81/59/523378159.db2.gz OSMXILNIQWINHS-UHFFFAOYSA-N -1 3 355.490 2.750 20 30 FFEDHM C=CCOc1ccc(CNC(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1 ZINC000482471774 561254526 /nfs/dbraw/zinc/25/45/26/561254526.db2.gz CPCOSVWUFJFICW-UHFFFAOYSA-N -1 3 352.341 2.908 20 30 FFEDHM C=CCc1ccc(OCC(=O)N=c2cc(OC(F)F)n(C)[n-]2)c(OC)c1 ZINC000490986739 561441267 /nfs/dbraw/zinc/44/12/67/561441267.db2.gz IHZIXPPQTXVEPU-UHFFFAOYSA-N -1 3 367.352 2.776 20 30 FFEDHM N#CC1(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCC1 ZINC000737676686 598834043 /nfs/dbraw/zinc/83/40/43/598834043.db2.gz XEURHUGJPZPUBV-UHFFFAOYSA-N -1 3 364.434 2.905 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2ccccn2c1 ZINC000735418157 598904029 /nfs/dbraw/zinc/90/40/29/598904029.db2.gz COLQYIAYCXCKCZ-UHFFFAOYSA-N -1 3 358.405 2.948 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2ccccn2c1 ZINC000735418157 598904030 /nfs/dbraw/zinc/90/40/30/598904030.db2.gz COLQYIAYCXCKCZ-UHFFFAOYSA-N -1 3 358.405 2.948 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3)no2)ccc1-c1nnn[n-]1 ZINC000737709424 598917147 /nfs/dbraw/zinc/91/71/47/598917147.db2.gz NZGJCCMVZGLSOU-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3)no2)ccc1-c1nn[n-]n1 ZINC000737709424 598917148 /nfs/dbraw/zinc/91/71/48/598917148.db2.gz NZGJCCMVZGLSOU-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735679862 598919692 /nfs/dbraw/zinc/91/96/92/598919692.db2.gz PTVBGGNPNIJKJZ-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735679862 598919694 /nfs/dbraw/zinc/91/96/94/598919694.db2.gz PTVBGGNPNIJKJZ-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM Cc1ccccc1SCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737432286 598921600 /nfs/dbraw/zinc/92/16/00/598921600.db2.gz UCCPKGFDGNHGOT-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM Cc1ccccc1SCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737432286 598921601 /nfs/dbraw/zinc/92/16/01/598921601.db2.gz UCCPKGFDGNHGOT-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736186886 598925115 /nfs/dbraw/zinc/92/51/15/598925115.db2.gz FXBKTECEQJZHTG-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736186886 598925116 /nfs/dbraw/zinc/92/51/16/598925116.db2.gz FXBKTECEQJZHTG-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cn1 ZINC000737711883 598980421 /nfs/dbraw/zinc/98/04/21/598980421.db2.gz MPTJYEYNBMXBDI-UHFFFAOYSA-N -1 3 365.422 2.716 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cn1 ZINC000737711883 598980423 /nfs/dbraw/zinc/98/04/23/598980423.db2.gz MPTJYEYNBMXBDI-UHFFFAOYSA-N -1 3 365.422 2.716 20 30 FFEDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000736194192 599109024 /nfs/dbraw/zinc/10/90/24/599109024.db2.gz XLASTELLAOAHBF-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(C#N)c1 ZINC000736194192 599109026 /nfs/dbraw/zinc/10/90/26/599109026.db2.gz XLASTELLAOAHBF-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CC2 ZINC000737113722 599157276 /nfs/dbraw/zinc/15/72/76/599157276.db2.gz FJKKULBZWGRBGG-MDWZMJQESA-N -1 3 372.388 2.736 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CC2 ZINC000737113722 599157278 /nfs/dbraw/zinc/15/72/78/599157278.db2.gz FJKKULBZWGRBGG-MDWZMJQESA-N -1 3 372.388 2.736 20 30 FFEDHM Cc1ccc2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2n1 ZINC000737377776 599193551 /nfs/dbraw/zinc/19/35/51/599193551.db2.gz OLGOXOZUIDXXHT-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1ccc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2n1 ZINC000737377776 599193554 /nfs/dbraw/zinc/19/35/54/599193554.db2.gz OLGOXOZUIDXXHT-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM C[C@H](OC(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820519107 607263631 /nfs/dbraw/zinc/26/36/31/607263631.db2.gz PJNRILQZLMLOAJ-VIFPVBQESA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@H](OC(=O)c1ncc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820519107 607263632 /nfs/dbraw/zinc/26/36/32/607263632.db2.gz PJNRILQZLMLOAJ-VIFPVBQESA-N -1 3 354.757 2.705 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819701366 607285308 /nfs/dbraw/zinc/28/53/08/607285308.db2.gz DXQGXJMORFFYAC-UHFFFAOYSA-N -1 3 366.356 2.970 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819701366 607285309 /nfs/dbraw/zinc/28/53/09/607285309.db2.gz DXQGXJMORFFYAC-UHFFFAOYSA-N -1 3 366.356 2.970 20 30 FFEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1NC(C)=O ZINC000737072598 598314176 /nfs/dbraw/zinc/31/41/76/598314176.db2.gz NIFCAJZJVJUVKM-UHFFFAOYSA-N -1 3 365.397 2.670 20 30 FFEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000736189927 598419484 /nfs/dbraw/zinc/41/94/84/598419484.db2.gz DENXENGDVOJOLN-LBPRGKRZSA-N -1 3 356.455 2.690 20 30 FFEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000736189927 598419486 /nfs/dbraw/zinc/41/94/86/598419486.db2.gz DENXENGDVOJOLN-LBPRGKRZSA-N -1 3 356.455 2.690 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000736191213 598489507 /nfs/dbraw/zinc/48/95/07/598489507.db2.gz YFEJZWXZUOKBOD-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000736191213 598489509 /nfs/dbraw/zinc/48/95/09/598489509.db2.gz YFEJZWXZUOKBOD-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM N#CCCSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737695027 598495489 /nfs/dbraw/zinc/49/54/89/598495489.db2.gz SGLHFQFJQUZANR-UHFFFAOYSA-N -1 3 351.395 2.520 20 30 FFEDHM N#CCCSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737695027 598495490 /nfs/dbraw/zinc/49/54/90/598495490.db2.gz SGLHFQFJQUZANR-UHFFFAOYSA-N -1 3 351.395 2.520 20 30 FFEDHM N#Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737712160 598544215 /nfs/dbraw/zinc/54/42/15/598544215.db2.gz ONXQUVAXTQVBML-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737712160 598544216 /nfs/dbraw/zinc/54/42/16/598544216.db2.gz ONXQUVAXTQVBML-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735977627 598554923 /nfs/dbraw/zinc/55/49/23/598554923.db2.gz VZOHIYAJYJWGRX-NSHDSACASA-N -1 3 365.422 2.908 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735977627 598554925 /nfs/dbraw/zinc/55/49/25/598554925.db2.gz VZOHIYAJYJWGRX-NSHDSACASA-N -1 3 365.422 2.908 20 30 FFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(OCC#N)cc2)s1 ZINC000736678262 598654691 /nfs/dbraw/zinc/65/46/91/598654691.db2.gz BBOPFJLRLJLCPY-UHFFFAOYSA-N -1 3 368.422 2.574 20 30 FFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(OCC#N)cc2)s1 ZINC000736678262 598654692 /nfs/dbraw/zinc/65/46/92/598654692.db2.gz BBOPFJLRLJLCPY-UHFFFAOYSA-N -1 3 368.422 2.574 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735506006 598691357 /nfs/dbraw/zinc/69/13/57/598691357.db2.gz YISAHDFCAUGNBE-RJRNSMGGSA-N -1 3 372.432 2.911 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735506006 598691359 /nfs/dbraw/zinc/69/13/59/598691359.db2.gz YISAHDFCAUGNBE-RJRNSMGGSA-N -1 3 372.432 2.911 20 30 FFEDHM N#CCCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737688836 598726526 /nfs/dbraw/zinc/72/65/26/598726526.db2.gz YSHIXLXRCNTMLN-UHFFFAOYSA-N -1 3 350.338 2.515 20 30 FFEDHM N#CCCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737688836 598726527 /nfs/dbraw/zinc/72/65/27/598726527.db2.gz YSHIXLXRCNTMLN-UHFFFAOYSA-N -1 3 350.338 2.515 20 30 FFEDHM N#Cc1ccc(-c2ccn(Cc3cn4ccccc4c3-c3nnn[n-]3)n2)cc1 ZINC000737709266 598802684 /nfs/dbraw/zinc/80/26/84/598802684.db2.gz JYTXYEAPMSCPJM-UHFFFAOYSA-N -1 3 366.388 2.903 20 30 FFEDHM N#Cc1ccc(-c2ccn(Cc3cn4ccccc4c3-c3nn[n-]n3)n2)cc1 ZINC000737709266 598802685 /nfs/dbraw/zinc/80/26/85/598802685.db2.gz JYTXYEAPMSCPJM-UHFFFAOYSA-N -1 3 366.388 2.903 20 30 FFEDHM C=C(Br)CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000819718434 599496969 /nfs/dbraw/zinc/49/69/69/599496969.db2.gz GUJJCKYYESGQLT-UHFFFAOYSA-N -1 3 365.622 2.811 20 30 FFEDHM C=C(Br)CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000819718434 599496971 /nfs/dbraw/zinc/49/69/71/599496971.db2.gz GUJJCKYYESGQLT-UHFFFAOYSA-N -1 3 365.622 2.811 20 30 FFEDHM C#CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000819709312 599558251 /nfs/dbraw/zinc/55/82/51/599558251.db2.gz BXWKKIKJBZGRNZ-UHFFFAOYSA-N -1 3 370.416 2.769 20 30 FFEDHM C#CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000819709312 599558254 /nfs/dbraw/zinc/55/82/54/599558254.db2.gz BXWKKIKJBZGRNZ-UHFFFAOYSA-N -1 3 370.416 2.769 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000826252140 607399954 /nfs/dbraw/zinc/39/99/54/607399954.db2.gz QNOHHNDHGYGBQE-CQSZACIVSA-N -1 3 365.368 2.854 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000826252140 607399955 /nfs/dbraw/zinc/39/99/55/607399955.db2.gz QNOHHNDHGYGBQE-CQSZACIVSA-N -1 3 365.368 2.854 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820166679 607400104 /nfs/dbraw/zinc/40/01/04/607400104.db2.gz ZSRLVIMEARFWPB-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820166679 607400106 /nfs/dbraw/zinc/40/01/06/607400106.db2.gz ZSRLVIMEARFWPB-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826257230 607445690 /nfs/dbraw/zinc/44/56/90/607445690.db2.gz TYYYAWSILZGKFW-UHFFFAOYSA-N -1 3 365.418 2.882 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826257230 607445691 /nfs/dbraw/zinc/44/56/91/607445691.db2.gz TYYYAWSILZGKFW-UHFFFAOYSA-N -1 3 365.418 2.882 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821769466 607456354 /nfs/dbraw/zinc/45/63/54/607456354.db2.gz HULNNCXWQSHURW-FNORWQNLSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000821769466 607456356 /nfs/dbraw/zinc/45/63/56/607456356.db2.gz HULNNCXWQSHURW-FNORWQNLSA-N -1 3 354.341 2.919 20 30 FFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000833074138 601318439 /nfs/dbraw/zinc/31/84/39/601318439.db2.gz PVBRYGRDUUZEIA-HXUWFJFHSA-N -1 3 369.465 2.845 20 30 FFEDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000826045421 601655382 /nfs/dbraw/zinc/65/53/82/601655382.db2.gz TVVQHSUJFVBDPB-OXQOHEQNSA-N -1 3 365.433 2.985 20 30 FFEDHM COCCN(CC(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000739813296 603170047 /nfs/dbraw/zinc/17/00/47/603170047.db2.gz NGSOGDAHCFXPML-JTQLQIEISA-N -1 3 367.814 2.752 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000826245514 607686527 /nfs/dbraw/zinc/68/65/27/607686527.db2.gz AHCSFYRTVGWZEA-HNNXBMFYSA-N -1 3 352.785 2.823 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000826245514 607686528 /nfs/dbraw/zinc/68/65/28/607686528.db2.gz AHCSFYRTVGWZEA-HNNXBMFYSA-N -1 3 352.785 2.823 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)[nH]1 ZINC000826384068 607699779 /nfs/dbraw/zinc/69/97/79/607699779.db2.gz FTKLKAACDAPFNR-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000833420584 604945788 /nfs/dbraw/zinc/94/57/88/604945788.db2.gz UWVOZIICPOHPJJ-HNNXBMFYSA-N -1 3 354.410 2.931 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(C#N)c2n1CCC2 ZINC000822015342 606390419 /nfs/dbraw/zinc/39/04/19/606390419.db2.gz JANQKNSTVHGAIP-XQRVVYSFSA-N -1 3 350.407 2.752 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821692931 606390471 /nfs/dbraw/zinc/39/04/71/606390471.db2.gz JZTFVNNKMKWXSU-VURMDHGXSA-N -1 3 356.407 2.850 20 30 FFEDHM C=CCNC(=O)c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819751581 606446246 /nfs/dbraw/zinc/44/62/46/606446246.db2.gz XFRZGLMKALIFFM-UHFFFAOYSA-N -1 3 352.373 2.534 20 30 FFEDHM C=CCNC(=O)c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819751581 606446248 /nfs/dbraw/zinc/44/62/48/606446248.db2.gz XFRZGLMKALIFFM-UHFFFAOYSA-N -1 3 352.373 2.534 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820842599 606614412 /nfs/dbraw/zinc/61/44/12/606614412.db2.gz ODOXUCJCRPFCKI-INIZCTEOSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820939534 606732540 /nfs/dbraw/zinc/73/25/40/606732540.db2.gz WASDBGACGYPQDS-MRXNPFEDSA-N -1 3 354.414 2.805 20 30 FFEDHM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820939534 606732541 /nfs/dbraw/zinc/73/25/41/606732541.db2.gz WASDBGACGYPQDS-MRXNPFEDSA-N -1 3 354.414 2.805 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000822819239 606759499 /nfs/dbraw/zinc/75/94/99/606759499.db2.gz NFCPQGPGUBVKJC-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000822819239 606759501 /nfs/dbraw/zinc/75/95/01/606759501.db2.gz NFCPQGPGUBVKJC-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@@H](C)C#N)cc1 ZINC000822146323 606793794 /nfs/dbraw/zinc/79/37/94/606793794.db2.gz XRIXSHBDZCRAHJ-LBPRGKRZSA-N -1 3 362.393 2.857 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@@H](C)C#N)cc1 ZINC000822146323 606793796 /nfs/dbraw/zinc/79/37/96/606793796.db2.gz XRIXSHBDZCRAHJ-LBPRGKRZSA-N -1 3 362.393 2.857 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000821850222 606836370 /nfs/dbraw/zinc/83/63/70/606836370.db2.gz ZQKIGVVDKZUZTO-NTMALXAHSA-N -1 3 354.391 2.986 20 30 FFEDHM C=CCC(CC=C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819733975 607004246 /nfs/dbraw/zinc/00/42/46/607004246.db2.gz GLQVHBUSIQRPIN-GFCCVEGCSA-N -1 3 355.398 2.505 20 30 FFEDHM C=CCC(CC=C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819733975 607004247 /nfs/dbraw/zinc/00/42/47/607004247.db2.gz GLQVHBUSIQRPIN-GFCCVEGCSA-N -1 3 355.398 2.505 20 30 FFEDHM Cc1ccc(C#N)cc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822224902 607029933 /nfs/dbraw/zinc/02/99/33/607029933.db2.gz FKZXTXQOMXMMKD-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM Cc1ccc(C#N)cc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822224902 607029934 /nfs/dbraw/zinc/02/99/34/607029934.db2.gz FKZXTXQOMXMMKD-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM COc1ccc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000821835387 607123688 /nfs/dbraw/zinc/12/36/88/607123688.db2.gz JDCQDWGLLJSRLQ-UHFFFAOYSA-N -1 3 353.342 2.620 20 30 FFEDHM CCc1cc(N=NCc2ccccc2-c2nn[n-]n2)nc(-c2ccccn2)n1 ZINC000825700461 607888513 /nfs/dbraw/zinc/88/85/13/607888513.db2.gz GLFNZDLLMSXDDG-UHFFFAOYSA-N -1 3 371.408 2.727 20 30 FFEDHM C=CCCOCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823899076 607940280 /nfs/dbraw/zinc/94/02/80/607940280.db2.gz KIZWZEZCSIRTHW-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM C=CCCOCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823899076 607940281 /nfs/dbraw/zinc/94/02/81/607940281.db2.gz KIZWZEZCSIRTHW-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM N#CCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826382343 608060634 /nfs/dbraw/zinc/06/06/34/608060634.db2.gz ZQMJVZZHYRANAA-UHFFFAOYSA-N -1 3 354.757 2.566 20 30 FFEDHM N#CCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826382343 608060635 /nfs/dbraw/zinc/06/06/35/608060635.db2.gz ZQMJVZZHYRANAA-UHFFFAOYSA-N -1 3 354.757 2.566 20 30 FFEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(-c2nnn[n-]2)s1 ZINC000823962003 608094816 /nfs/dbraw/zinc/09/48/16/608094816.db2.gz CWOHWPOTAUDGIO-UHFFFAOYSA-N -1 3 356.415 2.921 20 30 FFEDHM C=CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000823903848 608277696 /nfs/dbraw/zinc/27/76/96/608277696.db2.gz MGWVXCRFGZGHTK-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM C=CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000823903848 608277698 /nfs/dbraw/zinc/27/76/98/608277698.db2.gz MGWVXCRFGZGHTK-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM COc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1C#N ZINC000826204349 608298115 /nfs/dbraw/zinc/29/81/15/608298115.db2.gz HXCZKFMEMGETON-UHFFFAOYSA-N -1 3 361.409 2.633 20 30 FFEDHM COc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1C#N ZINC000826204349 608298118 /nfs/dbraw/zinc/29/81/18/608298118.db2.gz HXCZKFMEMGETON-UHFFFAOYSA-N -1 3 361.409 2.633 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccccc1C#N ZINC000826171826 608347085 /nfs/dbraw/zinc/34/70/85/608347085.db2.gz ZXFJSOOZZAXAAD-HJWRWDBZSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccccc1C#N ZINC000826171826 608347086 /nfs/dbraw/zinc/34/70/86/608347086.db2.gz ZXFJSOOZZAXAAD-HJWRWDBZSA-N -1 3 361.361 2.504 20 30 FFEDHM N#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384441 608480245 /nfs/dbraw/zinc/48/02/45/608480245.db2.gz WAUNMJYFPUWZSC-UHFFFAOYSA-N -1 3 356.389 2.668 20 30 FFEDHM N#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384441 608480247 /nfs/dbraw/zinc/48/02/47/608480247.db2.gz WAUNMJYFPUWZSC-UHFFFAOYSA-N -1 3 356.389 2.668 20 30 FFEDHM C#CC[C@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1 ZINC000823838232 608516941 /nfs/dbraw/zinc/51/69/41/608516941.db2.gz MLWGGJJRHJZQSY-KRWDZBQOSA-N -1 3 371.404 2.771 20 30 FFEDHM C#CC[C@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000823838232 608516942 /nfs/dbraw/zinc/51/69/42/608516942.db2.gz MLWGGJJRHJZQSY-KRWDZBQOSA-N -1 3 371.404 2.771 20 30 FFEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(-c2cccs2)n1 ZINC000826360606 608753008 /nfs/dbraw/zinc/75/30/08/608753008.db2.gz QXPYZBSVYLZDFS-UHFFFAOYSA-N -1 3 350.411 2.775 20 30 FFEDHM Cc1cc(C)c(C#N)c(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)n1 ZINC000826263219 609166315 /nfs/dbraw/zinc/16/63/15/609166315.db2.gz QHUWIAAFKDOFMT-UHFFFAOYSA-N -1 3 371.408 2.752 20 30 FFEDHM Cc1cc(C)c(C#N)c(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)n1 ZINC000826263219 609166317 /nfs/dbraw/zinc/16/63/17/609166317.db2.gz QHUWIAAFKDOFMT-UHFFFAOYSA-N -1 3 371.408 2.752 20 30 FFEDHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccn1 ZINC000825074381 609186277 /nfs/dbraw/zinc/18/62/77/609186277.db2.gz HLDRHLGBQWFQIJ-LLVKDONJSA-N -1 3 363.381 2.563 20 30 FFEDHM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccn1 ZINC000825074381 609186279 /nfs/dbraw/zinc/18/62/79/609186279.db2.gz HLDRHLGBQWFQIJ-LLVKDONJSA-N -1 3 363.381 2.563 20 30 FFEDHM N#CC1(c2ccc(COC(=O)c3sccc3-c3nnn[n-]3)cc2)CC1 ZINC000826381118 609244553 /nfs/dbraw/zinc/24/45/53/609244553.db2.gz XVRRFHSXEAPZSL-UHFFFAOYSA-N -1 3 351.391 2.840 20 30 FFEDHM CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825265685 609248878 /nfs/dbraw/zinc/24/88/78/609248878.db2.gz AATISBJGPGGMKE-HNNXBMFYSA-N -1 3 362.409 2.593 20 30 FFEDHM CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825265685 609248879 /nfs/dbraw/zinc/24/88/79/609248879.db2.gz AATISBJGPGGMKE-HNNXBMFYSA-N -1 3 362.409 2.593 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(C#N)cc1F ZINC000823953932 609276903 /nfs/dbraw/zinc/27/69/03/609276903.db2.gz WAQJAFOEBLGBBC-UHFFFAOYSA-N -1 3 356.752 2.762 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(C#N)cc1F ZINC000823953932 609276902 /nfs/dbraw/zinc/27/69/02/609276902.db2.gz WAQJAFOEBLGBBC-UHFFFAOYSA-N -1 3 356.752 2.762 20 30 FFEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1nc2ccccc2o1 ZINC000824762541 609307347 /nfs/dbraw/zinc/30/73/47/609307347.db2.gz HCMVUBQSZDZIKL-QMMMGPOBSA-N -1 3 364.394 2.710 20 30 FFEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1nc2ccccc2o1 ZINC000824762541 609307349 /nfs/dbraw/zinc/30/73/49/609307349.db2.gz HCMVUBQSZDZIKL-QMMMGPOBSA-N -1 3 364.394 2.710 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824033750 609374442 /nfs/dbraw/zinc/37/44/42/609374442.db2.gz AHGWGCVSOFTBRW-CYBMUJFWSA-N -1 3 362.393 2.891 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824033750 609374446 /nfs/dbraw/zinc/37/44/46/609374446.db2.gz AHGWGCVSOFTBRW-CYBMUJFWSA-N -1 3 362.393 2.891 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2F)cc1-c1nnn[n-]1 ZINC000826385655 609384483 /nfs/dbraw/zinc/38/44/83/609384483.db2.gz VULFTHKQZQFNAI-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2F)cc1-c1nn[n-]n1 ZINC000826385655 609384485 /nfs/dbraw/zinc/38/44/85/609384485.db2.gz VULFTHKQZQFNAI-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#CCC1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826380507 609423830 /nfs/dbraw/zinc/42/38/30/609423830.db2.gz COXRSDXKFVPTLG-UHFFFAOYSA-N -1 3 368.441 2.568 20 30 FFEDHM N#CCC1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826380507 609423832 /nfs/dbraw/zinc/42/38/32/609423832.db2.gz COXRSDXKFVPTLG-UHFFFAOYSA-N -1 3 368.441 2.568 20 30 FFEDHM C#CCNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823850999 609442682 /nfs/dbraw/zinc/44/26/82/609442682.db2.gz XLFHOPLCCIXSOY-CYBMUJFWSA-N -1 3 362.462 2.692 20 30 FFEDHM C#CCNC(=S)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823850999 609442686 /nfs/dbraw/zinc/44/26/86/609442686.db2.gz XLFHOPLCCIXSOY-CYBMUJFWSA-N -1 3 362.462 2.692 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824035247 609456355 /nfs/dbraw/zinc/45/63/55/609456355.db2.gz VADGIQSZCWJPDV-SNVBAGLBSA-N -1 3 353.411 2.699 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824035247 609456358 /nfs/dbraw/zinc/45/63/58/609456358.db2.gz VADGIQSZCWJPDV-SNVBAGLBSA-N -1 3 353.411 2.699 20 30 FFEDHM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000826178911 609474275 /nfs/dbraw/zinc/47/42/75/609474275.db2.gz QSKWJGUJQRSBOF-UHFFFAOYSA-N -1 3 373.760 2.883 20 30 FFEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000826178911 609474278 /nfs/dbraw/zinc/47/42/78/609474278.db2.gz QSKWJGUJQRSBOF-UHFFFAOYSA-N -1 3 373.760 2.883 20 30 FFEDHM CC(C)Oc1ccc(NCc2cnc3ccc(C#N)cn23)cc1-c1nnn[n-]1 ZINC000824329092 609490000 /nfs/dbraw/zinc/49/00/00/609490000.db2.gz ICMDZLHMENINBZ-UHFFFAOYSA-N -1 3 374.408 2.785 20 30 FFEDHM CC(C)Oc1ccc(NCc2cnc3ccc(C#N)cn23)cc1-c1nn[n-]n1 ZINC000824329092 609490001 /nfs/dbraw/zinc/49/00/01/609490001.db2.gz ICMDZLHMENINBZ-UHFFFAOYSA-N -1 3 374.408 2.785 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1O[C@@H](C)C#N ZINC000826184478 609512655 /nfs/dbraw/zinc/51/26/55/609512655.db2.gz YQIXOIPRVFOGER-LBPRGKRZSA-N -1 3 350.382 2.778 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1O[C@@H](C)C#N ZINC000826184478 609512657 /nfs/dbraw/zinc/51/26/57/609512657.db2.gz YQIXOIPRVFOGER-LBPRGKRZSA-N -1 3 350.382 2.778 20 30 FFEDHM N#Cc1cccc(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826386688 609618953 /nfs/dbraw/zinc/61/89/53/609618953.db2.gz OQFNPGXFFNDUSN-UHFFFAOYSA-N -1 3 353.769 2.678 20 30 FFEDHM N#Cc1cccc(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826386688 609618954 /nfs/dbraw/zinc/61/89/54/609618954.db2.gz OQFNPGXFFNDUSN-UHFFFAOYSA-N -1 3 353.769 2.678 20 30 FFEDHM COc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1OC ZINC000743448228 735298141 /nfs/dbraw/zinc/29/81/41/735298141.db2.gz FRRHVYPIRKEDBJ-UHFFFAOYSA-N -1 3 362.451 2.590 20 30 FFEDHM C#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000172940706 729036153 /nfs/dbraw/zinc/03/61/53/729036153.db2.gz RCSLWGFKYYEILL-UHFFFAOYSA-N -1 3 360.410 2.770 20 30 FFEDHM C=CCN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H](C)COC ZINC000640302354 730141302 /nfs/dbraw/zinc/14/13/02/730141302.db2.gz LLDXMUWFEWDVQK-VIFPVBQESA-N -1 3 354.760 2.576 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](C(=O)[N-]OCCCC(F)(F)F)C2)c(F)c1 ZINC000871216274 731607864 /nfs/dbraw/zinc/60/78/64/731607864.db2.gz QENJNPUHAQPNKP-LBPRGKRZSA-N -1 3 359.323 2.914 20 30 FFEDHM C=CCOCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000671179723 733397027 /nfs/dbraw/zinc/39/70/27/733397027.db2.gz FCUBEGBYVGTBTI-UHFFFAOYSA-N -1 3 354.653 2.583 20 30 FFEDHM C=CCNc1nc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cs1 ZINC000782330438 738711093 /nfs/dbraw/zinc/71/10/93/738711093.db2.gz ZFXHNFRHQVRJMD-UHFFFAOYSA-N -1 3 358.379 2.854 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000927402735 738735102 /nfs/dbraw/zinc/73/51/02/738735102.db2.gz UGDAFIWTHAMYJH-GOOCMWNKSA-N -1 3 359.495 2.999 20 30 FFEDHM N#CCn1cc([N-]S(=O)(=O)/C=C\c2ccccc2Br)cn1 ZINC000727359669 734479722 /nfs/dbraw/zinc/47/97/22/734479722.db2.gz RNMUNVMZDKZUGM-YVMONPNESA-N -1 3 367.228 2.582 20 30 FFEDHM N#C[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000928219602 738841882 /nfs/dbraw/zinc/84/18/82/738841882.db2.gz AKOZRUPXJOYSGS-JTQLQIEISA-N -1 3 360.211 2.666 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccn2)ccc1F ZINC000733955441 734862644 /nfs/dbraw/zinc/86/26/44/734862644.db2.gz QKXNNXDYXPOXJD-UHFFFAOYSA-N -1 3 369.805 2.591 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H]2CC=CCC2)ccc1F ZINC000784317521 738878486 /nfs/dbraw/zinc/87/84/86/738878486.db2.gz IDICEISJIVIHRJ-AWEZNQCLSA-N -1 3 366.458 2.718 20 30 FFEDHM CCC[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000748101489 735617400 /nfs/dbraw/zinc/61/74/00/735617400.db2.gz GUUNWENUUVOHFA-DZGCQCFKSA-N -1 3 366.483 2.872 20 30 FFEDHM N#CCN(C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000748476317 735648504 /nfs/dbraw/zinc/64/85/04/735648504.db2.gz OSJQOPACLVWDLH-UHFFFAOYSA-N -1 3 362.744 2.898 20 30 FFEDHM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374880 735771941 /nfs/dbraw/zinc/77/19/41/735771941.db2.gz VIKDONTZYVOTDZ-INIZCTEOSA-N -1 3 362.426 2.839 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)CCC(C)(C)C#N)cc(F)c1Cl ZINC000901988807 735887916 /nfs/dbraw/zinc/88/79/16/735887916.db2.gz GGXCTYTWTOTYLZ-UHFFFAOYSA-N -1 3 362.810 2.947 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnc(-c2ccncc2)s1 ZINC000753165608 736042585 /nfs/dbraw/zinc/04/25/85/736042585.db2.gz INBGURKUYHNUAI-UHFFFAOYSA-N -1 3 358.448 2.659 20 30 FFEDHM NC(=O)[C@@H]1CC[C@H](CCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)O1 ZINC000904179151 736230724 /nfs/dbraw/zinc/23/07/24/736230724.db2.gz ZXIIHWGQIRIKIY-OLZOCXBDSA-N -1 3 361.225 2.524 20 30 FFEDHM CC(N=Nc1ncnc2c1cnn2C)c1ccc(Br)cc1[O-] ZINC000756825689 736364742 /nfs/dbraw/zinc/36/47/42/736364742.db2.gz IUQIGISUOZHHKQ-UHFFFAOYSA-N -1 3 361.203 2.668 20 30 FFEDHM COc1ccc(C=NNC(=S)N[C@@H](C)C2CC2)c(Br)c1[O-] ZINC000761011972 736687767 /nfs/dbraw/zinc/68/77/67/736687767.db2.gz LGJVFUXJNSGUHM-QMMMGPOBSA-N -1 3 372.288 2.760 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908995722 736869374 /nfs/dbraw/zinc/86/93/74/736869374.db2.gz BQUGIKJXAZKGOF-HZPDHXFCSA-N -1 3 365.861 2.546 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC=CC23CCCC3)ccc1F ZINC000913199136 737385650 /nfs/dbraw/zinc/38/56/50/737385650.db2.gz MZRLDRYLFYTTSW-UHFFFAOYSA-N -1 3 364.442 2.615 20 30 FFEDHM C#CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)c1ccccc1 ZINC000785512275 738972597 /nfs/dbraw/zinc/97/25/97/738972597.db2.gz PYBHRHJNXVABDV-AWEZNQCLSA-N -1 3 363.460 2.886 20 30 FFEDHM CC(=NNC(=S)NC[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000916311746 737695698 /nfs/dbraw/zinc/69/56/98/737695698.db2.gz QKDRUPALLSPNAI-NSHDSACASA-N -1 3 372.288 2.522 20 30 FFEDHM COc1cc(C=NN2C(=O)NC3(CCCCC3)C2=O)cc(Cl)c1[O-] ZINC000916325707 737697234 /nfs/dbraw/zinc/69/72/34/737697234.db2.gz DJEWUJJFSOGONF-UHFFFAOYSA-N -1 3 351.790 2.643 20 30 FFEDHM COc1cc(C=NNC(=S)NC(C)(C)C)cc(Br)c1[O-] ZINC000916343546 737697618 /nfs/dbraw/zinc/69/76/18/737697618.db2.gz HQTBDXQRBYQLLE-UHFFFAOYSA-N -1 3 360.277 2.760 20 30 FFEDHM COc1ccc(Br)c(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000917556403 737764446 /nfs/dbraw/zinc/76/44/46/737764446.db2.gz ABXFNMTTYLBZLV-QGMBQPNBSA-N -1 3 365.227 2.978 20 30 FFEDHM CCC(CC)CCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772782664 737842838 /nfs/dbraw/zinc/84/28/38/737842838.db2.gz XEWJQMSEPPZZTP-CYBMUJFWSA-N -1 3 366.483 2.873 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cccc(Cl)c2[O-])C1=O ZINC000775928348 738143187 /nfs/dbraw/zinc/14/31/87/738143187.db2.gz CDMKMEZFLHCZIV-GFCCVEGCSA-N -1 3 362.794 2.941 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](OC(=O)c3cccc(Cl)c3[O-])C2=O)cc1 ZINC000775935082 738144517 /nfs/dbraw/zinc/14/45/17/738144517.db2.gz UHVYWHNQCZNLOZ-HNNXBMFYSA-N -1 3 356.765 2.880 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CC(C)(C)C2)ccc1F ZINC000784712382 738913663 /nfs/dbraw/zinc/91/36/63/738913663.db2.gz IRYLSEOILRFSJT-ZDUSSCGKSA-N -1 3 368.474 2.798 20 30 FFEDHM CN(C)S(=O)(=O)c1ccccc1NN=Cc1c([O-])cccc1Cl ZINC000793193812 739750827 /nfs/dbraw/zinc/75/08/27/739750827.db2.gz RJOGTUCFSLUPLQ-UHFFFAOYSA-N -1 3 353.831 2.742 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000793965415 739831771 /nfs/dbraw/zinc/83/17/71/739831771.db2.gz YBOFQVMRMXHMHQ-UHFFFAOYSA-N -1 3 351.284 2.595 20 30 FFEDHM Cc1ccncc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000794471295 739895136 /nfs/dbraw/zinc/89/51/36/739895136.db2.gz PNJZUHBNVPOUIG-HNNXBMFYSA-N -1 3 353.407 2.665 20 30 FFEDHM CNC(=O)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1Br ZINC000794675968 739918687 /nfs/dbraw/zinc/91/86/87/739918687.db2.gz HRHPZSXEQZJYBD-UHFFFAOYSA-N -1 3 365.183 2.676 20 30 FFEDHM CC[C@H](CC#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796893560 740193916 /nfs/dbraw/zinc/19/39/16/740193916.db2.gz RQFSUYAUHVYLLZ-GFCCVEGCSA-N -1 3 364.345 2.926 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000797841034 740279288 /nfs/dbraw/zinc/27/92/88/740279288.db2.gz HRIHAAMDEUUQKH-JOYOIKCWSA-N -1 3 351.255 2.648 20 30 FFEDHM CCCC1N=NC(=S)N1N=Cc1cc(Br)c([O-])c(OC)c1 ZINC000808007405 741177466 /nfs/dbraw/zinc/17/74/66/741177466.db2.gz BWKPUCKESUZWLE-UHFFFAOYSA-N -1 3 371.260 2.878 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000813369562 741706422 /nfs/dbraw/zinc/70/64/22/741706422.db2.gz ODSQUYBEIJPVPE-UHFFFAOYSA-N -1 3 361.814 2.829 20 30 FFEDHM CC1(C)Cc2nc(N)sc2C(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000814815373 741867284 /nfs/dbraw/zinc/86/72/84/741867284.db2.gz VSOOFPBWFJSJBO-UHFFFAOYSA-N -1 3 364.496 2.521 20 30 FFEDHM COCc1nc(Cl)cc([N-]N=C2C(=O)Nc3c2c(Cl)ccc3F)n1 ZINC000814975630 741877389 /nfs/dbraw/zinc/87/73/89/741877389.db2.gz NSRQTSSHTJIUSD-UHFFFAOYSA-N -1 3 370.171 2.837 20 30 FFEDHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816754357 742058755 /nfs/dbraw/zinc/05/87/55/742058755.db2.gz BSAFWBKRGGPYPL-CQSZACIVSA-N -1 3 359.451 2.845 20 30 FFEDHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)N[C@@H]1CCCN([O-])C1=O ZINC000816757923 742059423 /nfs/dbraw/zinc/05/94/23/742059423.db2.gz FASAZWWWIMNBQV-SECBINFHSA-N -1 3 371.871 2.564 20 30 FFEDHM CC1(C)Cc2cc(C(=O)N[C@H]3CCN([O-])C3=O)sc2-c2ccccc21 ZINC000820179135 742471287 /nfs/dbraw/zinc/47/12/87/742471287.db2.gz GOMQINLZRJLMDW-AWEZNQCLSA-N -1 3 356.447 2.969 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccnc1SCC1CCCCC1 ZINC000820470807 742508829 /nfs/dbraw/zinc/50/88/29/742508829.db2.gz GOAKASSCDAMNDF-HNNXBMFYSA-N -1 3 363.483 2.864 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824776605 743146280 /nfs/dbraw/zinc/14/62/80/743146280.db2.gz CVRGHWWLZZXGCZ-OAHLLOKOSA-N -1 3 361.862 2.843 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824776605 743146283 /nfs/dbraw/zinc/14/62/83/743146283.db2.gz CVRGHWWLZZXGCZ-OAHLLOKOSA-N -1 3 361.862 2.843 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1nc(Cl)c(C#N)s1 ZINC001050047615 743492815 /nfs/dbraw/zinc/49/28/15/743492815.db2.gz RVKGMDKUUFEZKE-KOLCDFICSA-N -1 3 362.842 2.771 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000829700027 745246897 /nfs/dbraw/zinc/24/68/97/745246897.db2.gz MIPVAKRMDKKXBR-VIFPVBQESA-N -1 3 366.668 2.714 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCCC(C)(C)C#N)cc1 ZINC000847902258 748807689 /nfs/dbraw/zinc/80/76/89/748807689.db2.gz NDMWTYPAEPLVIJ-UHFFFAOYSA-N -1 3 368.455 2.699 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2ccc(Br)cc2s1 ZINC000848132259 748850108 /nfs/dbraw/zinc/85/01/08/748850108.db2.gz PCUOVRWBWVRVHT-SNVBAGLBSA-N -1 3 369.240 2.774 20 30 FFEDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135785 748851266 /nfs/dbraw/zinc/85/12/66/748851266.db2.gz QNAVNXIAOXLHIE-CYBMUJFWSA-N -1 3 367.427 2.597 20 30 FFEDHM CCN(CC)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000046439718 845117130 /nfs/dbraw/zinc/11/71/30/845117130.db2.gz SMLFRJMNMJEYLK-INIZCTEOSA-N -1 3 357.435 2.602 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000078234023 944607403 /nfs/dbraw/zinc/60/74/03/944607403.db2.gz BJTQLNJNCDXANO-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000078234023 944607409 /nfs/dbraw/zinc/60/74/09/944607409.db2.gz BJTQLNJNCDXANO-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000823999642 946538048 /nfs/dbraw/zinc/53/80/48/946538048.db2.gz FUQPWTIVXYSEEO-RUDMXATFSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000823999642 946538057 /nfs/dbraw/zinc/53/80/57/946538057.db2.gz FUQPWTIVXYSEEO-RUDMXATFSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCC(C)(C)C#N ZINC000824206932 946620813 /nfs/dbraw/zinc/62/08/13/946620813.db2.gz MBUHKHRIHSTDPC-HNNXBMFYSA-N -1 3 357.414 2.753 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCC(C)(C)C#N ZINC000824206932 946620821 /nfs/dbraw/zinc/62/08/21/946620821.db2.gz MBUHKHRIHSTDPC-HNNXBMFYSA-N -1 3 357.414 2.753 20 30 FFEDHM CC(=O)c1cc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC001573554094 946894745 /nfs/dbraw/zinc/89/47/45/946894745.db2.gz MHOTUSZLOOXKIX-INIZCTEOSA-N -1 3 374.404 2.699 20 30 FFEDHM CC(=O)c1cc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC001573554094 946894755 /nfs/dbraw/zinc/89/47/55/946894755.db2.gz MHOTUSZLOOXKIX-INIZCTEOSA-N -1 3 374.404 2.699 20 30 FFEDHM C=C1CCC(C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)CC1 ZINC001573296104 947039469 /nfs/dbraw/zinc/03/94/69/947039469.db2.gz KLCRUXOWMYQWAM-UHFFFAOYSA-N -1 3 351.414 2.921 20 30 FFEDHM C=C1CCC(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)CC1 ZINC001573296104 947039481 /nfs/dbraw/zinc/03/94/81/947039481.db2.gz KLCRUXOWMYQWAM-UHFFFAOYSA-N -1 3 351.414 2.921 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573298709 947079082 /nfs/dbraw/zinc/07/90/82/947079082.db2.gz FVWNZCOWGIHJTA-LSDHHAIUSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573298709 947079090 /nfs/dbraw/zinc/07/90/90/947079090.db2.gz FVWNZCOWGIHJTA-LSDHHAIUSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573305712 947158852 /nfs/dbraw/zinc/15/88/52/947158852.db2.gz TXEUIDWCQLBSDE-ZIAGYGMSSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573305712 947158856 /nfs/dbraw/zinc/15/88/56/947158856.db2.gz TXEUIDWCQLBSDE-ZIAGYGMSSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CCCCN(CC)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001573334957 947466406 /nfs/dbraw/zinc/46/64/06/947466406.db2.gz JZILNMPXSBWFIW-QGZVFWFLSA-N -1 3 354.458 2.650 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCOc1cccc(C#N)c1 ZINC000826167705 947529238 /nfs/dbraw/zinc/52/92/38/947529238.db2.gz OADBDDKYSXXHLM-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCCOc1cccc(C#N)c1 ZINC000826167705 947529242 /nfs/dbraw/zinc/52/92/42/947529242.db2.gz OADBDDKYSXXHLM-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001573349158 947591177 /nfs/dbraw/zinc/59/11/77/947591177.db2.gz ZLQSFAXGTFCWOZ-KBPBESRZSA-N -1 3 364.457 2.794 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001573349158 947591180 /nfs/dbraw/zinc/59/11/80/947591180.db2.gz ZLQSFAXGTFCWOZ-KBPBESRZSA-N -1 3 364.457 2.794 20 30 FFEDHM CC(C)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC001573787802 949187934 /nfs/dbraw/zinc/18/79/34/949187934.db2.gz ATSZNXIFPSORAV-UHFFFAOYSA-N -1 3 351.341 2.761 20 30 FFEDHM CC(C)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC001573787802 949187942 /nfs/dbraw/zinc/18/79/42/949187942.db2.gz ATSZNXIFPSORAV-UHFFFAOYSA-N -1 3 351.341 2.761 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001594367674 958504259 /nfs/dbraw/zinc/50/42/59/958504259.db2.gz WKYMAUUWDANYDI-IRXDYDNUSA-N -1 3 357.454 2.817 20 30 FFEDHM O=C1Nc2cc3c(cc2C1=N[N-]c1nncc2ccccc21)OCCCO3 ZINC000017414421 965109821 /nfs/dbraw/zinc/10/98/21/965109821.db2.gz JRGYLQUYNSBJNV-UHFFFAOYSA-N -1 3 361.361 2.559 20 30 FFEDHM COc1cnc([C@H]2CCCN2CCCOc2ccc(C#N)cc2)[n-]c1=O ZINC000934276371 966189499 /nfs/dbraw/zinc/18/94/99/966189499.db2.gz MDJCEBUAAQFVQV-MRXNPFEDSA-N -1 3 354.410 2.668 20 30 FFEDHM N#Cc1c(N)cc(=N)n(-c2ccc([O-])cc2C(F)(F)F)c1Br ZINC001176339342 1013678064 /nfs/dbraw/zinc/67/80/64/1013678064.db2.gz FBMJEXZNHOQKRQ-UHFFFAOYSA-N -1 3 373.132 2.898 20 30 FFEDHM C=C[C@@H](C)ONC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875699914 1014064230 /nfs/dbraw/zinc/06/42/30/1014064230.db2.gz BWHHPTJUECASNV-VXGBXAGGSA-N -1 3 371.359 2.875 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1C ZINC001605284496 973080326 /nfs/dbraw/zinc/08/03/26/973080326.db2.gz BVHMZTWHNMJKRN-RBUKOAKNSA-N -1 3 369.465 2.593 20 30 FFEDHM COC(=O)c1cc([N-]C(=O)c2ncc(C#N)cc2Cl)cc([N+](=O)[O-])c1 ZINC001126373018 977925262 /nfs/dbraw/zinc/92/52/62/977925262.db2.gz ORIZGJUUQAYZFT-UHFFFAOYSA-N -1 3 360.713 2.554 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2cccc(Cl)c2)n1 ZINC000126338793 1014475934 /nfs/dbraw/zinc/47/59/34/1014475934.db2.gz VEXAPVARGNYYBA-AWEZNQCLSA-N -1 3 365.780 2.882 20 30 FFEDHM C#CCN1CC[C@]2(CCCN(C(=O)c3cc([O-])ccc3Cl)CC2)C1=O ZINC001271914559 979267998 /nfs/dbraw/zinc/26/79/98/979267998.db2.gz GFAYBZUJBSSJCS-LJQANCHMSA-N -1 3 360.841 2.524 20 30 FFEDHM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(C(C)(C)C)ccc1[O-] ZINC001271971327 979377288 /nfs/dbraw/zinc/37/72/88/979377288.db2.gz UCFXOGCKHFSCOD-IAGOWNOFSA-N -1 3 354.450 2.528 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000905002103 980365482 /nfs/dbraw/zinc/36/54/82/980365482.db2.gz LNQLSXAQEJQGFV-NVYFXCSXSA-N -1 3 363.458 2.510 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000128983110 980435156 /nfs/dbraw/zinc/43/51/56/980435156.db2.gz AJGUDEMTVKKKQU-CQSZACIVSA-N -1 3 353.334 2.955 20 30 FFEDHM CN(Cc1ccccc1)c1ccccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878489833 1015067852 /nfs/dbraw/zinc/06/78/52/1015067852.db2.gz VVVVMMZZNOFMQD-KRWDZBQOSA-N -1 3 368.437 2.825 20 30 FFEDHM N#CC(=C([O-])c1cccc2c1OCCCO2)c1nnc2n1CCCCC2 ZINC000651268204 1015093395 /nfs/dbraw/zinc/09/33/95/1015093395.db2.gz AJNGOPXEJCWIBQ-CQSZACIVSA-N -1 3 352.394 2.656 20 30 FFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1nnc2ccccc2c1[O-] ZINC000171860970 985420664 /nfs/dbraw/zinc/42/06/64/985420664.db2.gz GAXPOWNLCXUBMD-UHFFFAOYSA-N -1 3 371.318 2.723 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC000992626657 987218462 /nfs/dbraw/zinc/21/84/62/987218462.db2.gz RWZSDZNOMWLNCZ-IWMITWMQSA-N -1 3 356.466 2.915 20 30 FFEDHM CC(=NNc1ccc(C#N)cc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000915963193 989721510 /nfs/dbraw/zinc/72/15/10/989721510.db2.gz UZCAVVTZVKTHOH-UHFFFAOYSA-N -1 3 350.422 2.932 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCC(OC(F)F)CC1 ZINC001129083187 990400344 /nfs/dbraw/zinc/40/03/44/990400344.db2.gz GQQBONQPQXRBBW-UHFFFAOYSA-N -1 3 367.396 2.875 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)[C@@H](C)CO ZINC000921464390 991086705 /nfs/dbraw/zinc/08/67/05/991086705.db2.gz ISMZMVWAVWNNLJ-AWEZNQCLSA-N -1 3 367.449 2.618 20 30 FFEDHM C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001079432490 992111673 /nfs/dbraw/zinc/11/16/73/992111673.db2.gz NFIMMMFWANGEDZ-DNVCBOLYSA-N -1 3 352.409 2.633 20 30 FFEDHM Cc1c(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cccc1[N+](=O)[O-] ZINC000811184973 995051180 /nfs/dbraw/zinc/05/11/80/995051180.db2.gz GECIWJQNYXZPNT-NSHDSACASA-N -1 3 369.333 2.665 20 30 FFEDHM COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187008 995052175 /nfs/dbraw/zinc/05/21/75/995052175.db2.gz GUTNENFYEYJKEJ-STQMWFEESA-N -1 3 368.389 2.695 20 30 FFEDHM C[C@H](OC[C@H]1CCCCO1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845839836 998672035 /nfs/dbraw/zinc/67/20/35/998672035.db2.gz XJLRZWWOTCSEQV-JQHSSLGASA-N -1 3 355.434 2.970 20 30 FFEDHM CC#CC(=O)N1CCC2(C[C@H]2C(=O)Nc2nc3c(cccc3[O-])s2)CC1 ZINC001273361786 999631732 /nfs/dbraw/zinc/63/17/32/999631732.db2.gz QPAVSKJLAHXZHR-LBPRGKRZSA-N -1 3 369.446 2.592 20 30 FFEDHM C#C[C@@H](C)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000769658646 1000570961 /nfs/dbraw/zinc/57/09/61/1000570961.db2.gz ORTPYUZOPGJJNU-BEFAXECRSA-N -1 3 350.418 2.734 20 30 FFEDHM C[C@@H](C#N)c1cccc(C(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c1 ZINC001148615650 1001180799 /nfs/dbraw/zinc/18/07/99/1001180799.db2.gz PVRDVHJWFBDFKB-BBRMVZONSA-N -1 3 371.437 2.970 20 30 FFEDHM N#Cc1cccc(CNC(=O)COC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786138652 1001544507 /nfs/dbraw/zinc/54/45/07/1001544507.db2.gz WZJDIWJVCHROQZ-UHFFFAOYSA-N -1 3 366.398 2.952 20 30 FFEDHM N#Cc1cccnc1N1CC[C@@]2(CNC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001054706814 1016508242 /nfs/dbraw/zinc/50/82/42/1016508242.db2.gz YSTXUADIJHQCFA-WIYYLYMNSA-N -1 3 362.433 2.838 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2ccc(C(F)(F)F)cc2)nn1 ZINC001171363051 1001718551 /nfs/dbraw/zinc/71/85/51/1001718551.db2.gz PDQYJFVFIVXUNZ-XPTSAGLGSA-N -1 3 352.316 2.810 20 30 FFEDHM Cc1ccc(-c2noc(-c3ccnc(N[C@@H]4C(=O)N([O-])C[C@@H]4C)c3)n2)cc1 ZINC001171363069 1001719355 /nfs/dbraw/zinc/71/93/55/1001719355.db2.gz PZYFORRBGJLNHD-LRDDRELGSA-N -1 3 365.393 2.755 20 30 FFEDHM C#CCN1CC[C@]2(CCCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)C1=O ZINC001276200533 1016526689 /nfs/dbraw/zinc/52/66/89/1016526689.db2.gz ZJGYPACENLXRPI-HXUWFJFHSA-N -1 3 374.868 2.876 20 30 FFEDHM CC(=O)N/C(=C\c1cc(F)ccc1F)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001185733789 1003045260 /nfs/dbraw/zinc/04/52/60/1003045260.db2.gz SNHUAAUVXFWKNR-PXNMLYILSA-N -1 3 357.316 2.658 20 30 FFEDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1nc(C#N)c(Cl)s1 ZINC001186853819 1003433675 /nfs/dbraw/zinc/43/36/75/1003433675.db2.gz GPJJBRKLYRJALP-SFYZADRCSA-N -1 3 351.819 2.844 20 30 FFEDHM CC1(COc2ccc(C(=O)N([O-])C(=N)c3ccccc3N)cc2)COC1 ZINC001196036270 1003653671 /nfs/dbraw/zinc/65/36/71/1003653671.db2.gz STGOYHMIUFJYKE-UHFFFAOYSA-N -1 3 355.394 2.541 20 30 FFEDHM COC(=O)c1cc(Cl)cc(NC(=O)C#Cc2ccc3c(c2)OCO3)c1[O-] ZINC000804902427 1003904810 /nfs/dbraw/zinc/90/48/10/1003904810.db2.gz GBEFZEWMAJUAFV-UHFFFAOYSA-N -1 3 373.748 2.551 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC001192440666 1004170695 /nfs/dbraw/zinc/17/06/95/1004170695.db2.gz OYGGUHPKOIUITR-UHFFFAOYSA-N -1 3 351.409 2.742 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccc(OC(F)(F)F)cn1 ZINC001192840084 1004299717 /nfs/dbraw/zinc/29/97/17/1004299717.db2.gz UVHKWMAXBBOFSV-UHFFFAOYSA-N -1 3 371.296 2.952 20 30 FFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(C)c1 ZINC001193980142 1004624543 /nfs/dbraw/zinc/62/45/43/1004624543.db2.gz SQAMHSQUZPHSDQ-ZDUSSCGKSA-N -1 3 364.448 2.511 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C)c2)cc1C#N ZINC001201317355 1005198724 /nfs/dbraw/zinc/19/87/24/1005198724.db2.gz QNGCIXZYTQBHEA-UHFFFAOYSA-N -1 3 371.462 2.813 20 30 FFEDHM COC(=O)c1cncc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2Cl)c1 ZINC001201852453 1005274994 /nfs/dbraw/zinc/27/49/94/1005274994.db2.gz FVZMFQMUFAJYBR-UHFFFAOYSA-N -1 3 365.798 2.503 20 30 FFEDHM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000776275553 1005341831 /nfs/dbraw/zinc/34/18/31/1005341831.db2.gz TUXANMHUDGEOEX-LBPRGKRZSA-N -1 3 352.346 2.650 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)NCCCSc2ccccc2)c1 ZINC000776279441 1005345251 /nfs/dbraw/zinc/34/52/51/1005345251.db2.gz KEMHLNZTMMRAAR-UHFFFAOYSA-N -1 3 370.430 2.719 20 30 FFEDHM N#Cc1ccncc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000813489040 1005962577 /nfs/dbraw/zinc/96/25/77/1005962577.db2.gz MFCWTLWAAGSGBF-INIZCTEOSA-N -1 3 370.840 2.707 20 30 FFEDHM N#Cc1ccncc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000813489041 1005962967 /nfs/dbraw/zinc/96/29/67/1005962967.db2.gz MFCWTLWAAGSGBF-MRXNPFEDSA-N -1 3 370.840 2.707 20 30 FFEDHM Cc1ccccc1[C@H](CO)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000923731337 1017023049 /nfs/dbraw/zinc/02/30/49/1017023049.db2.gz KZKCFWRPVMFQHM-IBGZPJMESA-N -1 3 367.449 2.709 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc(Cl)cc(Cl)c1OC ZINC001188154115 1006432494 /nfs/dbraw/zinc/43/24/94/1006432494.db2.gz XBSXRSZBAQCYHP-UHFFFAOYSA-N -1 3 369.164 2.937 20 30 FFEDHM C#CCCN(CCOC)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000853873097 1006565301 /nfs/dbraw/zinc/56/53/01/1006565301.db2.gz SUKCFLIRTJVENF-UHFFFAOYSA-N -1 3 354.410 2.661 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581881 1006905493 /nfs/dbraw/zinc/90/54/93/1006905493.db2.gz BEQLQSZIALAHKP-ZDUSSCGKSA-N -1 3 373.413 2.794 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H](C)c2cccnc2)c(C)c1[O-] ZINC001177791620 1008750537 /nfs/dbraw/zinc/75/05/37/1008750537.db2.gz MVDIEFKWBSFKSW-NSHDSACASA-N -1 3 353.378 2.886 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc2cc[nH]c2n1 ZINC000861027667 1009237845 /nfs/dbraw/zinc/23/78/45/1009237845.db2.gz HEAWLZJLZUEDCQ-UHFFFAOYSA-N -1 3 350.378 2.828 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@]23c2ccccc2N(CC2CC2)C3=O)ccc1[O-] ZINC001179726564 1009425576 /nfs/dbraw/zinc/42/55/76/1009425576.db2.gz JJMXZTWFBZXOCT-JTSKRJEESA-N -1 3 373.412 2.917 20 30 FFEDHM COc1c([O-])ccc(C=NNCCCOCc2ccccc2)c1[N+](=O)[O-] ZINC000863176996 1010120985 /nfs/dbraw/zinc/12/09/85/1010120985.db2.gz DSDTZEAEWYBRRI-UHFFFAOYSA-N -1 3 359.382 2.839 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)c1 ZINC000794580878 1010374894 /nfs/dbraw/zinc/37/48/94/1010374894.db2.gz DYXSUAIOFANXJJ-UHFFFAOYSA-N -1 3 373.409 2.819 20 30 FFEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc([O-])c1Br ZINC001275210396 1012087664 /nfs/dbraw/zinc/08/76/64/1012087664.db2.gz SPHHACVLXSWPNE-ZIAGYGMSSA-N -1 3 365.271 2.906 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001275350559 1012345635 /nfs/dbraw/zinc/34/56/35/1012345635.db2.gz BSKYDTZUHWACES-AWEZNQCLSA-N -1 3 350.409 2.965 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000871288276 1012826599 /nfs/dbraw/zinc/82/65/99/1012826599.db2.gz CZWWREMLLMIDDY-DNVCBOLYSA-N -1 3 357.454 2.530 20 30 FFEDHM C=C[C@](C)(O)CC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316822 1012855356 /nfs/dbraw/zinc/85/53/56/1012855356.db2.gz ZAMWZEUBPGDWKV-SJCJKPOMSA-N -1 3 370.371 2.513 20 30 FFEDHM Cc1cc(C#N)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])n1 ZINC001045346399 1019946700 /nfs/dbraw/zinc/94/67/00/1019946700.db2.gz VKEPMWXQVGPMCE-HZPDHXFCSA-N -1 3 351.410 2.515 20 30 FFEDHM COc1ccc2nc(NN=Cc3c([O-])c(C)ncc3CO)c(C)cc2c1 ZINC000777911497 1020042735 /nfs/dbraw/zinc/04/27/35/1020042735.db2.gz MDASXPKMYUYFQW-UHFFFAOYSA-N -1 3 352.394 2.899 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000900030010 1020148583 /nfs/dbraw/zinc/14/85/83/1020148583.db2.gz KDLSGKDTYVDQTL-INIZCTEOSA-N -1 3 369.396 2.563 20 30 FFEDHM C=C(C)C[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001119001542 1022518661 /nfs/dbraw/zinc/51/86/61/1022518661.db2.gz ROTJZISKHYZGTE-NSHDSACASA-N -1 3 363.170 2.939 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049395083 1022913134 /nfs/dbraw/zinc/91/31/34/1022913134.db2.gz JMUGNEARWSFRDM-OAHLLOKOSA-N -1 3 372.388 2.622 20 30 FFEDHM C#C[C@@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2CCc2ccccc2)C1 ZINC001122217903 1023122042 /nfs/dbraw/zinc/12/20/42/1023122042.db2.gz RGEDXRCFXXMNID-OAHLLOKOSA-N -1 3 363.421 2.731 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001122395294 1023240939 /nfs/dbraw/zinc/24/09/39/1023240939.db2.gz LUFFZMFRBBITOZ-OAHLLOKOSA-N -1 3 374.514 2.903 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC2(CC2(F)F)CC1 ZINC001122567622 1023343567 /nfs/dbraw/zinc/34/35/67/1023343567.db2.gz QZFRYHKSIBZJHV-UHFFFAOYSA-N -1 3 362.384 2.642 20 30 FFEDHM O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1c([O-])cccc1Cl ZINC000755529606 1023607014 /nfs/dbraw/zinc/60/70/14/1023607014.db2.gz AYRXOLKHIQBYAC-UHFFFAOYSA-N -1 3 365.780 2.823 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001121545697 1023839768 /nfs/dbraw/zinc/83/97/68/1023839768.db2.gz HIJMMQOYXMKMKH-OAHLLOKOSA-N -1 3 371.372 2.542 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)C2)c(F)c1 ZINC001141302084 1025812252 /nfs/dbraw/zinc/81/22/52/1025812252.db2.gz OFAYJTNXFZZGBD-GFCCVEGCSA-N -1 3 365.368 2.744 20 30 FFEDHM CCN(CC)[C@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)c1ccsc1 ZINC001141610171 1026666073 /nfs/dbraw/zinc/66/60/73/1026666073.db2.gz FREAUMMAUAKQTE-OAHLLOKOSA-N -1 3 358.467 2.842 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC2(CO)Cc3ccccc3C2)n1 ZINC001160038953 1027568503 /nfs/dbraw/zinc/56/85/03/1027568503.db2.gz QEZWMNSFBVOVCA-QGMBQPNBSA-N -1 3 364.858 2.602 20 30 FFEDHM COCc1cc(O)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001161483620 1028194818 /nfs/dbraw/zinc/19/48/18/1028194818.db2.gz XLPARODUXUQWMO-UHFFFAOYSA-N -1 3 355.394 2.699 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](C)c2nnc3ccccn32)n1 ZINC001154808085 1028464107 /nfs/dbraw/zinc/46/41/07/1028464107.db2.gz WRKPPHWNKFUZKQ-LBBJYAOWSA-N -1 3 363.834 2.876 20 30 FFEDHM COC(=O)Cc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001163765760 1029054629 /nfs/dbraw/zinc/05/46/29/1029054629.db2.gz XSIKJIPMPFCXNK-UHFFFAOYSA-N -1 3 369.299 2.944 20 30 FFEDHM N#Cc1ccc(Oc2nc(Cl)ncc2NCCCc2c[n-][nH]c2=O)cc1 ZINC001156286000 1029128645 /nfs/dbraw/zinc/12/86/45/1029128645.db2.gz UIRFYFGKUCKUQN-LBPRGKRZSA-N -1 3 370.800 2.718 20 30 FFEDHM COC(=O)c1ccc2c(C)c(C(=O)N([O-])C(=N)c3ccccc3N)[nH]c2c1 ZINC001156524557 1029231955 /nfs/dbraw/zinc/23/19/55/1029231955.db2.gz FDWJMMQFEPAJFD-UHFFFAOYSA-N -1 3 366.377 2.702 20 30 FFEDHM COC(=O)COc1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000782185853 1029602573 /nfs/dbraw/zinc/60/25/73/1029602573.db2.gz UNLHANHNMXKCMB-RMKNXTFCSA-N -1 3 372.373 2.857 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001142076230 1029975645 /nfs/dbraw/zinc/97/56/45/1029975645.db2.gz YPKDEDOTEXZBHA-HNNXBMFYSA-N -1 3 374.462 2.681 20 30 FFEDHM CCCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000798816471 1031554173 /nfs/dbraw/zinc/55/41/73/1031554173.db2.gz MNSKOCXFPKMJQH-INIZCTEOSA-N -1 3 367.405 2.895 20 30 FFEDHM CCOC(=O)c1[nH]c2ccccc2c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001151373309 1031937406 /nfs/dbraw/zinc/93/74/06/1031937406.db2.gz RSGAPERBUYDVCX-UHFFFAOYSA-N -1 3 366.377 2.784 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](O/C(=N\[O-])c2ccccn2)C1 ZINC001223982761 1033670290 /nfs/dbraw/zinc/67/02/90/1033670290.db2.gz YELWDBSEXSRWGW-IDJNSLICSA-N -1 3 357.357 2.879 20 30 FFEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138198656 1033944568 /nfs/dbraw/zinc/94/45/68/1033944568.db2.gz KLMWWAMKXIIQRB-MRXNPFEDSA-N -1 3 371.437 2.603 20 30 FFEDHM CCOC(=O)[C@@H]1C[C@H](Oc2[n-]c(C)cc(=O)c2C#N)c2ccccc2O1 ZINC001225468045 1034265516 /nfs/dbraw/zinc/26/55/16/1034265516.db2.gz IULPZQVMGAIUCS-IRXDYDNUSA-N -1 3 354.362 2.802 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)[n-]1 ZINC001225468480 1034265998 /nfs/dbraw/zinc/26/59/98/1034265998.db2.gz ACLPHYKYHDMYBZ-LLVKDONJSA-N -1 3 369.368 2.991 20 30 FFEDHM C=CCOCc1nn(CC2CC2)c2c1CN(Cc1ccncc1[O-])CC2 ZINC001140274644 1035413505 /nfs/dbraw/zinc/41/35/05/1035413505.db2.gz KJOFPDVVZATJNO-UHFFFAOYSA-N -1 3 354.454 2.655 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(CC3CC3)nn2)cc1 ZINC000835060579 1035496197 /nfs/dbraw/zinc/49/61/97/1035496197.db2.gz BLLSCEFLLYCJPT-KRWDZBQOSA-N -1 3 365.437 2.992 20 30 FFEDHM COc1cc(O[C@H]2C=CC(=O)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227393871 1035531195 /nfs/dbraw/zinc/53/11/95/1035531195.db2.gz YSGYKODUEOZSHG-LBPRGKRZSA-N -1 3 364.353 2.761 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)[C@H](C#N)C1 ZINC001227585788 1035621605 /nfs/dbraw/zinc/62/16/05/1035621605.db2.gz FIZUORYWKVSGBG-KOLCDFICSA-N -1 3 373.331 2.944 20 30 FFEDHM COc1cc(O[C@@H]2C=CC(=O)C2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227641066 1035650949 /nfs/dbraw/zinc/65/09/49/1035650949.db2.gz JGIKELBKAXVYKB-SNVBAGLBSA-N -1 3 354.314 2.642 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2[n-]c(=O)nc3cc(Cl)ccc32)[C@H]2OC(C)(C)O[C@@H]12 ZINC001227989757 1035853228 /nfs/dbraw/zinc/85/32/28/1035853228.db2.gz VVTAUTQHUGSNOR-ABHRYQDASA-N -1 3 364.785 2.799 20 30 FFEDHM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228853312 1036361505 /nfs/dbraw/zinc/36/15/05/1036361505.db2.gz HAVAGVIFKCQKLM-UHFFFAOYSA-N -1 3 374.389 2.507 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCn2c1nc1ccccc1c2=O ZINC001233802956 1036769697 /nfs/dbraw/zinc/76/96/97/1036769697.db2.gz KIMODRYJGKYFIU-YODDIOPGSA-N -1 3 351.362 2.737 20 30 FFEDHM C#CCN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1Cl ZINC001278023046 1038331449 /nfs/dbraw/zinc/33/14/49/1038331449.db2.gz IFEHEHOHVGVXJC-GOSISDBHSA-N -1 3 350.821 2.775 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)[N-]CCC(C(F)(F)F)C(F)(F)F ZINC001258334769 1039317616 /nfs/dbraw/zinc/31/76/16/1039317616.db2.gz JIFPPWUMKZSLRM-UHFFFAOYSA-N -1 3 360.279 2.967 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(F)c1Cl ZINC001259345485 1039925637 /nfs/dbraw/zinc/92/56/37/1039925637.db2.gz NNKCVECJHYKJEX-UHFFFAOYSA-N -1 3 368.773 2.923 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(F)c1Cl ZINC001259850557 1040243686 /nfs/dbraw/zinc/24/36/86/1040243686.db2.gz NWBZURXCBYYTBG-UHFFFAOYSA-N -1 3 354.746 2.880 20 30 FFEDHM COc1cc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC001260048189 1040379037 /nfs/dbraw/zinc/37/90/37/1040379037.db2.gz PWVVQIFZSPSASI-UHFFFAOYSA-N -1 3 366.826 2.545 20 30 FFEDHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001213519784 1040634435 /nfs/dbraw/zinc/63/44/35/1040634435.db2.gz SFAMEXHXNWDLBH-JTQLQIEISA-N -1 3 357.781 2.964 20 30 FFEDHM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]/C=C/C(=O)C(F)(F)F ZINC001260789999 1040799730 /nfs/dbraw/zinc/79/97/30/1040799730.db2.gz PBWJGTKUDLTIFW-ONEGZZNKSA-N -1 3 357.737 2.580 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cc(F)cc(C#N)c3)no2)cc1 ZINC001215447759 1041785753 /nfs/dbraw/zinc/78/57/53/1041785753.db2.gz FUTQZJHLHNEEPC-UHFFFAOYSA-N -1 3 358.354 2.786 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001262962049 1041991799 /nfs/dbraw/zinc/99/17/99/1041991799.db2.gz CJPYEVJAZUDRQR-GFCCVEGCSA-N -1 3 353.382 2.612 20 30 FFEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@H](OC)C1 ZINC001262992870 1042016806 /nfs/dbraw/zinc/01/68/06/1042016806.db2.gz JMEDGCMZMIGXIK-AWEZNQCLSA-N -1 3 362.861 2.833 20 30 FFEDHM C#CC[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2Cc2ccccc2)C1 ZINC001263134318 1042124617 /nfs/dbraw/zinc/12/46/17/1042124617.db2.gz QLBVGFPUJYMRMF-HNNXBMFYSA-N -1 3 363.421 2.927 20 30 FFEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(F)(F)C1 ZINC001263336393 1042247772 /nfs/dbraw/zinc/24/77/72/1042247772.db2.gz FTGGKIKXLCOLMZ-UHFFFAOYSA-N -1 3 362.384 2.740 20 30 FFEDHM CC(C)Cc1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001265999581 1042889866 /nfs/dbraw/zinc/88/98/66/1042889866.db2.gz DACMEROMIDMEFN-UHFFFAOYSA-N -1 3 371.462 2.562 20 30 FFEDHM COC(=O)C1(C#N)CCN(Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001237687123 1043315397 /nfs/dbraw/zinc/31/53/97/1043315397.db2.gz ZUTNYNHHNTXJPF-UHFFFAOYSA-N -1 3 367.243 2.742 20 30 FFEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001309516755 1043418277 /nfs/dbraw/zinc/41/82/77/1043418277.db2.gz XKGCUPZDWUCWON-GFCCVEGCSA-N -1 3 350.318 2.694 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1nc(C(F)(F)F)n[n-]1 ZINC001310431717 1043687578 /nfs/dbraw/zinc/68/75/78/1043687578.db2.gz XQABDTJMXHDPST-SSDOTTSWSA-N -1 3 372.282 2.748 20 30 FFEDHM COc1ccc(C(=O)[O-])cc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242390196 1044729303 /nfs/dbraw/zinc/72/93/03/1044729303.db2.gz YOYZVBYCUOUWNN-CYBMUJFWSA-N -1 3 369.377 2.799 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OCC ZINC001320265310 1045378102 /nfs/dbraw/zinc/37/81/02/1045378102.db2.gz HEXXCBLZYYSTSB-ZDUSSCGKSA-N -1 3 365.373 2.633 20 30 FFEDHM CC(=O)c1ccc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)s1 ZINC001539478658 1070645723 /nfs/dbraw/zinc/64/57/23/1070645723.db2.gz FXLRGUFMXABZPF-UHFFFAOYSA-N -1 3 351.391 2.714 20 30 FFEDHM CC[C@@]([N-]S(=O)(=O)c1ccc(CC#N)cc1)(C(=O)OC)c1ccccc1 ZINC001327872595 1048075101 /nfs/dbraw/zinc/07/51/01/1048075101.db2.gz SEQDBPZRJIDKCG-IBGZPJMESA-N -1 3 372.446 2.509 20 30 FFEDHM C=CC[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC001334182532 1049295689 /nfs/dbraw/zinc/29/56/89/1049295689.db2.gz NGUCGRVOLKSPKE-CABCVRRESA-N -1 3 365.499 2.850 20 30 FFEDHM C=CCCCN(CC)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001341612098 1050240912 /nfs/dbraw/zinc/24/09/12/1050240912.db2.gz JBYINQACHHNSGW-UHFFFAOYSA-N -1 3 357.451 2.695 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn2c(n1)CCCC2 ZINC001341818193 1050431462 /nfs/dbraw/zinc/43/14/62/1050431462.db2.gz RCVDDSMAZASVGU-ZDUSSCGKSA-N -1 3 352.394 2.579 20 30 FFEDHM C=CCC[C@@H]1CCCN1C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001340122042 1050526518 /nfs/dbraw/zinc/52/65/18/1050526518.db2.gz NIDVIHPUHGLONB-CYBMUJFWSA-N -1 3 369.462 2.837 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(CCOC)Cc1ccccc1 ZINC001342089223 1050684167 /nfs/dbraw/zinc/68/41/67/1050684167.db2.gz SSAJCCUNLWVBJH-UHFFFAOYSA-N -1 3 369.425 2.868 20 30 FFEDHM N#C[C@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2ccccc2)C1 ZINC001342189997 1050781900 /nfs/dbraw/zinc/78/19/00/1050781900.db2.gz PGRYIXSLZRKDBF-CYBMUJFWSA-N -1 3 368.832 2.505 20 30 FFEDHM N#C[C@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2ccccc2)C1 ZINC001342189997 1050781915 /nfs/dbraw/zinc/78/19/15/1050781915.db2.gz PGRYIXSLZRKDBF-CYBMUJFWSA-N -1 3 368.832 2.505 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccsc2C1 ZINC001340572617 1050958642 /nfs/dbraw/zinc/95/86/42/1050958642.db2.gz UBESHZYPYZAIIM-UHFFFAOYSA-N -1 3 354.439 2.559 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(F)(F)CC[C@H]1C ZINC001342387386 1050982154 /nfs/dbraw/zinc/98/21/54/1050982154.db2.gz ZWIBQHJJEMKNOE-SNVBAGLBSA-N -1 3 350.373 2.559 20 30 FFEDHM C=CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001304869696 1051738876 /nfs/dbraw/zinc/73/88/76/1051738876.db2.gz BHLVSGXTPGORFZ-UHFFFAOYSA-N -1 3 365.282 2.743 20 30 FFEDHM C#CCCCCCC(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001343942663 1052502329 /nfs/dbraw/zinc/50/23/29/1052502329.db2.gz OAYHPYDGVVXUJA-SJLPKXTDSA-N -1 3 354.450 2.649 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)c(O)c1 ZINC001309439505 1052619724 /nfs/dbraw/zinc/61/97/24/1052619724.db2.gz PXATUPCYZYAZKE-UHFFFAOYSA-N -1 3 374.443 2.966 20 30 FFEDHM C#CC1CCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)CC1 ZINC001344722990 1052903761 /nfs/dbraw/zinc/90/37/61/1052903761.db2.gz NPFKACWVZXFHMF-UHFFFAOYSA-N -1 3 355.423 2.598 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001339108428 1056099212 /nfs/dbraw/zinc/09/92/12/1056099212.db2.gz ZUUUGJYTZGUCKY-SECBINFHSA-N -1 3 366.219 2.549 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001339108428 1056099227 /nfs/dbraw/zinc/09/92/27/1056099227.db2.gz ZUUUGJYTZGUCKY-SECBINFHSA-N -1 3 366.219 2.549 20 30 FFEDHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2ncc3c(c2C#N)COCC3)s1 ZINC001353478880 1056440216 /nfs/dbraw/zinc/44/02/16/1056440216.db2.gz YIRUTGGTQZISPK-JTQLQIEISA-N -1 3 358.423 2.832 20 30 FFEDHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CC[C@H](CF)C1 ZINC001339568330 1056593752 /nfs/dbraw/zinc/59/37/52/1056593752.db2.gz SCNGWRLVNKLSHO-CQSZACIVSA-N -1 3 368.416 2.818 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C#N)ccc2C)cc1OC ZINC001544824303 1071698307 /nfs/dbraw/zinc/69/83/07/1071698307.db2.gz GTVRWWYXBRHNNG-UHFFFAOYSA-N -1 3 373.434 2.889 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CCc2cccnc21 ZINC000847834424 1058194704 /nfs/dbraw/zinc/19/47/04/1058194704.db2.gz OAEAHJYXFRAUGZ-OAHLLOKOSA-N -1 3 351.406 2.877 20 30 FFEDHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848133423 1059102324 /nfs/dbraw/zinc/10/23/24/1059102324.db2.gz YQGIFNZWOMIJFU-KBXCAEBGSA-N -1 3 354.406 2.617 20 30 FFEDHM Cc1ccccc1COc1ccccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848138198 1059113741 /nfs/dbraw/zinc/11/37/41/1059113741.db2.gz OAHKHEJSJYHMGW-KRWDZBQOSA-N -1 3 354.406 2.684 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C2 ZINC001455040260 1059678856 /nfs/dbraw/zinc/67/88/56/1059678856.db2.gz VNQGPAVCUZJRHE-HNNXBMFYSA-N -1 3 357.207 2.924 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001515691893 1059750190 /nfs/dbraw/zinc/75/01/90/1059750190.db2.gz XNXWEBLIMBPHCZ-OAHLLOKOSA-N -1 3 351.357 2.840 20 30 FFEDHM Cn1nnc2cc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)cnc21 ZINC001457994290 1060486347 /nfs/dbraw/zinc/48/63/47/1060486347.db2.gz JJKYFVOXYHTGGR-UHFFFAOYSA-N -1 3 352.181 2.702 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC2(CCSCC2)CC1 ZINC001356007792 1060803751 /nfs/dbraw/zinc/80/37/51/1060803751.db2.gz ORDRORNCQINOOC-UHFFFAOYSA-N -1 3 361.471 2.938 20 30 FFEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(C)cc1)C(=O)OCC ZINC001464257683 1062509986 /nfs/dbraw/zinc/50/99/86/1062509986.db2.gz PADQQGSNAUAQLK-KVPUOBJLSA-N -1 3 357.859 2.959 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(C)cc1)C(=O)OCC ZINC001464257677 1062511106 /nfs/dbraw/zinc/51/11/06/1062511106.db2.gz PADQQGSNAUAQLK-FJVVXJACSA-N -1 3 357.859 2.959 20 30 FFEDHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccnc(C#N)c2)s1 ZINC001464833616 1062855266 /nfs/dbraw/zinc/85/52/66/1062855266.db2.gz BSDVGPSFMWHBGD-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001472241660 1064987191 /nfs/dbraw/zinc/98/71/91/1064987191.db2.gz WNDGDTZTEBOWTG-LJQANCHMSA-N -1 3 357.410 2.934 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001472241660 1064987208 /nfs/dbraw/zinc/98/72/08/1064987208.db2.gz WNDGDTZTEBOWTG-LJQANCHMSA-N -1 3 357.410 2.934 20 30 FFEDHM CCCCCCN(O)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001577506163 1078370572 /nfs/dbraw/zinc/37/05/72/1078370572.db2.gz SQXJZQFRGFOIEE-UHFFFAOYSA-N -1 3 358.402 2.971 20 30 FFEDHM C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001556527791 1075749767 /nfs/dbraw/zinc/74/97/67/1075749767.db2.gz GBYVWLRTIKNOMH-OFQRWUPVSA-N -1 3 366.421 2.564 20 30 FFEDHM CS(=O)(=O)Nc1ccccc1CC(=O)N([O-])Cc1ccccc1Cl ZINC001559033513 1076117968 /nfs/dbraw/zinc/11/79/68/1076117968.db2.gz LUBKSLJMHVJMJO-UHFFFAOYSA-N -1 3 368.842 2.672 20 30 FFEDHM N#Cc1ccccc1Sc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC001569676264 1077158414 /nfs/dbraw/zinc/15/84/14/1077158414.db2.gz QQDLNWPBFRWTEO-INIZCTEOSA-N -1 3 367.430 2.819 20 30 FFEDHM C[C@@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001573630482 1077759397 /nfs/dbraw/zinc/75/93/97/1077759397.db2.gz KLUXRDITMLSSDH-AUUYWEPGSA-N -1 3 363.417 2.561 20 30 FFEDHM C#C[C@H](Nc1ncc(Br)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588329115 1079985061 /nfs/dbraw/zinc/98/50/61/1079985061.db2.gz YELVWHVJYOTNCL-ZDUSSCGKSA-N -1 3 373.189 2.950 20 30 FFEDHM C#C[C@H](Nc1ncc(Br)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588329115 1079985069 /nfs/dbraw/zinc/98/50/69/1079985069.db2.gz YELVWHVJYOTNCL-ZDUSSCGKSA-N -1 3 373.189 2.950 20 30 FFEDHM C#C[C@@H](NCc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)cc1 ZINC001588328962 1079985362 /nfs/dbraw/zinc/98/53/62/1079985362.db2.gz UVQGPLHSNBQORE-MRXNPFEDSA-N -1 3 363.812 2.632 20 30 FFEDHM C#C[C@@H](NCc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)cc1 ZINC001588328962 1079985367 /nfs/dbraw/zinc/98/53/67/1079985367.db2.gz UVQGPLHSNBQORE-MRXNPFEDSA-N -1 3 363.812 2.632 20 30 FFEDHM C#CCC(CC#C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001588330850 1079987120 /nfs/dbraw/zinc/98/71/20/1079987120.db2.gz GGAAFQLQWBXNJN-UHFFFAOYSA-N -1 3 372.388 2.655 20 30 FFEDHM C#CCC(C)(C)C(=O)O[C@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001588331058 1079987387 /nfs/dbraw/zinc/98/73/87/1079987387.db2.gz NTNAIIPOPZYPHY-AWEZNQCLSA-N -1 3 371.416 2.567 20 30 FFEDHM C#CCC(C)(C)C(=O)O[C@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001588331058 1079987392 /nfs/dbraw/zinc/98/73/92/1079987392.db2.gz NTNAIIPOPZYPHY-AWEZNQCLSA-N -1 3 371.416 2.567 20 30 FFEDHM C#CCC1(NC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001588335156 1079988425 /nfs/dbraw/zinc/98/84/25/1079988425.db2.gz ZTUDTYWWRFLFTE-QGZVFWFLSA-N -1 3 364.453 2.879 20 30 FFEDHM C#CCC1(NC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001588335156 1079988431 /nfs/dbraw/zinc/98/84/31/1079988431.db2.gz ZTUDTYWWRFLFTE-QGZVFWFLSA-N -1 3 364.453 2.879 20 30 FFEDHM C#CC[C@H](NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588334358 1079988613 /nfs/dbraw/zinc/98/86/13/1079988613.db2.gz UUHKFLDQEMJHEE-SFHVURJKSA-N -1 3 358.405 2.657 20 30 FFEDHM C#CC[C@H](NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588334358 1079988621 /nfs/dbraw/zinc/98/86/21/1079988621.db2.gz UUHKFLDQEMJHEE-SFHVURJKSA-N -1 3 358.405 2.657 20 30 FFEDHM C#CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001588335218 1079989298 /nfs/dbraw/zinc/98/92/98/1079989298.db2.gz COVUEQJYEFGDKE-LBPRGKRZSA-N -1 3 363.381 2.563 20 30 FFEDHM C#CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001588335218 1079989301 /nfs/dbraw/zinc/98/93/01/1079989301.db2.gz COVUEQJYEFGDKE-LBPRGKRZSA-N -1 3 363.381 2.563 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588352161 1079991507 /nfs/dbraw/zinc/99/15/07/1079991507.db2.gz VCNXCIMTTJMPHD-UHFFFAOYSA-N -1 3 359.433 2.688 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588352161 1079991513 /nfs/dbraw/zinc/99/15/13/1079991513.db2.gz VCNXCIMTTJMPHD-UHFFFAOYSA-N -1 3 359.433 2.688 20 30 FFEDHM C#CCSCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC001588363058 1079993176 /nfs/dbraw/zinc/99/31/76/1079993176.db2.gz HYIDSFCJWBLMLR-UHFFFAOYSA-N -1 3 366.450 2.579 20 30 FFEDHM C#CCSCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC001588363058 1079993179 /nfs/dbraw/zinc/99/31/79/1079993179.db2.gz HYIDSFCJWBLMLR-UHFFFAOYSA-N -1 3 366.450 2.579 20 30 FFEDHM C#CCOc1ccccc1-c1noc(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001588363171 1079993593 /nfs/dbraw/zinc/99/35/93/1079993593.db2.gz OEPTZPKYHNBYLE-UHFFFAOYSA-N -1 3 358.361 2.520 20 30 FFEDHM C#CCOc1ccccc1-c1noc(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001588363171 1079993596 /nfs/dbraw/zinc/99/35/96/1079993596.db2.gz OEPTZPKYHNBYLE-UHFFFAOYSA-N -1 3 358.361 2.520 20 30 FFEDHM C#Cc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001588377538 1079998866 /nfs/dbraw/zinc/99/88/66/1079998866.db2.gz ZJHPDCMIEQRYKF-UHFFFAOYSA-N -1 3 354.373 2.577 20 30 FFEDHM C#Cc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001588377538 1079998874 /nfs/dbraw/zinc/99/88/74/1079998874.db2.gz ZJHPDCMIEQRYKF-UHFFFAOYSA-N -1 3 354.373 2.577 20 30 FFEDHM C=C(Br)COC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588391793 1080002584 /nfs/dbraw/zinc/00/25/84/1080002584.db2.gz QAYNGRYNAOHBIX-UHFFFAOYSA-N -1 3 351.204 2.596 20 30 FFEDHM C=C(Br)COC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588391793 1080002595 /nfs/dbraw/zinc/00/25/95/1080002595.db2.gz QAYNGRYNAOHBIX-UHFFFAOYSA-N -1 3 351.204 2.596 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001588392686 1080005084 /nfs/dbraw/zinc/00/50/84/1080005084.db2.gz GASJPECOFOJRBQ-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001588392686 1080005095 /nfs/dbraw/zinc/00/50/95/1080005095.db2.gz GASJPECOFOJRBQ-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(CC)(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588409462 1080013553 /nfs/dbraw/zinc/01/35/53/1080013553.db2.gz DESDKDPWZIRTAV-UHFFFAOYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(CC)(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588409462 1080013564 /nfs/dbraw/zinc/01/35/64/1080013564.db2.gz DESDKDPWZIRTAV-UHFFFAOYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588410908 1080013849 /nfs/dbraw/zinc/01/38/49/1080013849.db2.gz ZKDWOCCYPRUMSV-OAHLLOKOSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588410908 1080013860 /nfs/dbraw/zinc/01/38/60/1080013860.db2.gz ZKDWOCCYPRUMSV-OAHLLOKOSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(CC)C(=O)Nc1cnn(-c2cccc(-c3nnn[n-]3)c2)c1CCC ZINC001588443079 1080029061 /nfs/dbraw/zinc/02/90/61/1080029061.db2.gz UUQHCIKKYGZJOU-UHFFFAOYSA-N -1 3 351.414 2.910 20 30 FFEDHM C=C(CC)C(=O)Nc1cnn(-c2cccc(-c3nn[n-]n3)c2)c1CCC ZINC001588443079 1080029069 /nfs/dbraw/zinc/02/90/69/1080029069.db2.gz UUQHCIKKYGZJOU-UHFFFAOYSA-N -1 3 351.414 2.910 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cc1COCCOC ZINC001588456902 1080033086 /nfs/dbraw/zinc/03/30/86/1080033086.db2.gz ZLLUGHJIGMEFPF-CALCHBBNSA-N -1 3 355.442 2.717 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588462045 1080036893 /nfs/dbraw/zinc/03/68/93/1080036893.db2.gz BCSKTWFSBVMJIO-LBPRGKRZSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588462045 1080036897 /nfs/dbraw/zinc/03/68/97/1080036897.db2.gz BCSKTWFSBVMJIO-LBPRGKRZSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588475097 1080041434 /nfs/dbraw/zinc/04/14/34/1080041434.db2.gz MLPPNTANEWNCHU-OLZOCXBDSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588475097 1080041443 /nfs/dbraw/zinc/04/14/43/1080041443.db2.gz MLPPNTANEWNCHU-OLZOCXBDSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001588483214 1080045995 /nfs/dbraw/zinc/04/59/95/1080045995.db2.gz BXYSUVUMEGSTEM-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001588483214 1080046003 /nfs/dbraw/zinc/04/60/03/1080046003.db2.gz BXYSUVUMEGSTEM-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588484504 1080047861 /nfs/dbraw/zinc/04/78/61/1080047861.db2.gz FVGCPRMBUOMQIO-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588484504 1080047867 /nfs/dbraw/zinc/04/78/67/1080047867.db2.gz FVGCPRMBUOMQIO-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=C[C@@H](C)ONC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001588518875 1080070090 /nfs/dbraw/zinc/07/00/90/1080070090.db2.gz MMIPRYBZYASFDP-CYBMUJFWSA-N -1 3 365.393 2.682 20 30 FFEDHM C=C[C@@H](C)ONC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001588518875 1080070091 /nfs/dbraw/zinc/07/00/91/1080070091.db2.gz MMIPRYBZYASFDP-CYBMUJFWSA-N -1 3 365.393 2.682 20 30 FFEDHM C=C[C@@H](CC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588519270 1080071353 /nfs/dbraw/zinc/07/13/53/1080071353.db2.gz WPUCOSUPCDEVND-LBPRGKRZSA-N -1 3 350.382 2.569 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588521449 1080073409 /nfs/dbraw/zinc/07/34/09/1080073409.db2.gz NMFIJTHAMHJORH-CHWSQXEVSA-N -1 3 360.437 2.772 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588521449 1080073417 /nfs/dbraw/zinc/07/34/17/1080073417.db2.gz NMFIJTHAMHJORH-CHWSQXEVSA-N -1 3 360.437 2.772 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588520757 1080073924 /nfs/dbraw/zinc/07/39/24/1080073924.db2.gz DJGWXUXEPNVBSA-HUUCEWRRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588520757 1080073933 /nfs/dbraw/zinc/07/39/33/1080073933.db2.gz DJGWXUXEPNVBSA-HUUCEWRRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588521859 1080074741 /nfs/dbraw/zinc/07/47/41/1080074741.db2.gz VATWMKDIKBWPLK-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588521859 1080074747 /nfs/dbraw/zinc/07/47/47/1080074747.db2.gz VATWMKDIKBWPLK-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588524078 1080076850 /nfs/dbraw/zinc/07/68/50/1080076850.db2.gz OKXGOJRMOXZNKH-NUEKZKHPSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588524078 1080076858 /nfs/dbraw/zinc/07/68/58/1080076858.db2.gz OKXGOJRMOXZNKH-NUEKZKHPSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588531870 1080082382 /nfs/dbraw/zinc/08/23/82/1080082382.db2.gz LEKQPQYAKKKTAU-ZDUSSCGKSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588531870 1080082390 /nfs/dbraw/zinc/08/23/90/1080082390.db2.gz LEKQPQYAKKKTAU-ZDUSSCGKSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588533411 1080082984 /nfs/dbraw/zinc/08/29/84/1080082984.db2.gz XKIHZDBLVFPXJY-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588533411 1080082993 /nfs/dbraw/zinc/08/29/93/1080082993.db2.gz XKIHZDBLVFPXJY-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=CCC(CC=C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588540627 1080087781 /nfs/dbraw/zinc/08/77/81/1080087781.db2.gz DFXWJRRTLCPLQU-CYBMUJFWSA-N -1 3 369.473 2.597 20 30 FFEDHM C=CCC(CC=C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588540627 1080087789 /nfs/dbraw/zinc/08/77/89/1080087789.db2.gz DFXWJRRTLCPLQU-CYBMUJFWSA-N -1 3 369.473 2.597 20 30 FFEDHM C=CCC1(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CCC1 ZINC001588551865 1080091688 /nfs/dbraw/zinc/09/16/88/1080091688.db2.gz JZFBDIDSNBPSPY-INIZCTEOSA-N -1 3 353.426 2.513 20 30 FFEDHM C=CCC1(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CCC1 ZINC001588551865 1080091696 /nfs/dbraw/zinc/09/16/96/1080091696.db2.gz JZFBDIDSNBPSPY-INIZCTEOSA-N -1 3 353.426 2.513 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](CC)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588553861 1080093937 /nfs/dbraw/zinc/09/39/37/1080093937.db2.gz VSNFJLPXTWSVNN-HNNXBMFYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](CC)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588553861 1080093947 /nfs/dbraw/zinc/09/39/47/1080093947.db2.gz VSNFJLPXTWSVNN-HNNXBMFYSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001588564551 1080099728 /nfs/dbraw/zinc/09/97/28/1080099728.db2.gz NZSCJIWFRYYDEB-OAHLLOKOSA-N -1 3 353.426 2.623 20 30 FFEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001588564551 1080099735 /nfs/dbraw/zinc/09/97/35/1080099735.db2.gz NZSCJIWFRYYDEB-OAHLLOKOSA-N -1 3 353.426 2.623 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588566298 1080101801 /nfs/dbraw/zinc/10/18/01/1080101801.db2.gz FFRVKUWUSSORBS-ZDUSSCGKSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCC(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588566298 1080101804 /nfs/dbraw/zinc/10/18/04/1080101804.db2.gz FFRVKUWUSSORBS-ZDUSSCGKSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588588344 1080111653 /nfs/dbraw/zinc/11/16/53/1080111653.db2.gz LCQKJOLOODOGKG-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588588344 1080111658 /nfs/dbraw/zinc/11/16/58/1080111658.db2.gz LCQKJOLOODOGKG-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588610379 1080121755 /nfs/dbraw/zinc/12/17/55/1080121755.db2.gz CTRGLPUSSYBFNB-GFCCVEGCSA-N -1 3 359.430 2.964 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588610379 1080121762 /nfs/dbraw/zinc/12/17/62/1080121762.db2.gz CTRGLPUSSYBFNB-GFCCVEGCSA-N -1 3 359.430 2.964 20 30 FFEDHM C=CCCc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588621081 1080125130 /nfs/dbraw/zinc/12/51/30/1080125130.db2.gz UPBSYUPSKZSWAJ-UHFFFAOYSA-N -1 3 356.407 2.753 20 30 FFEDHM C=CCCc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588621081 1080125136 /nfs/dbraw/zinc/12/51/36/1080125136.db2.gz UPBSYUPSKZSWAJ-UHFFFAOYSA-N -1 3 356.407 2.753 20 30 FFEDHM C=CCN(CC(=O)N1[C@H](C)CCC[C@H]1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588627581 1080127294 /nfs/dbraw/zinc/12/72/94/1080127294.db2.gz ADFGTYZRQRIUHK-HZPDHXFCSA-N -1 3 368.485 2.644 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1ccc(C#N)cc1 ZINC001588639568 1080131744 /nfs/dbraw/zinc/13/17/44/1080131744.db2.gz CFBHBUXQKAAKEC-UHFFFAOYSA-N -1 3 372.432 2.886 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1ccc(C#N)cc1 ZINC001588639568 1080131753 /nfs/dbraw/zinc/13/17/53/1080131753.db2.gz CFBHBUXQKAAKEC-UHFFFAOYSA-N -1 3 372.432 2.886 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC12CC(OCC)C2 ZINC001588638700 1080132228 /nfs/dbraw/zinc/13/22/28/1080132228.db2.gz HQDRHNFDBVYPEY-GNZRSQJKSA-N -1 3 367.453 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC12CC(OCC)C2 ZINC001588638700 1080132232 /nfs/dbraw/zinc/13/22/32/1080132232.db2.gz HQDRHNFDBVYPEY-GNZRSQJKSA-N -1 3 367.453 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1C[C@H]1C(C)C ZINC001588641548 1080134686 /nfs/dbraw/zinc/13/46/86/1080134686.db2.gz HTASYVJLSASQOI-IRXDYDNUSA-N -1 3 354.458 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1C[C@H]1C(C)C ZINC001588641548 1080134689 /nfs/dbraw/zinc/13/46/89/1080134689.db2.gz HTASYVJLSASQOI-IRXDYDNUSA-N -1 3 354.458 2.856 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC=CCC1 ZINC001588641353 1080134726 /nfs/dbraw/zinc/13/47/26/1080134726.db2.gz CZURHPNHKXWXSG-OAHLLOKOSA-N -1 3 352.442 2.921 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC=CCC1 ZINC001588641353 1080134728 /nfs/dbraw/zinc/13/47/28/1080134728.db2.gz CZURHPNHKXWXSG-OAHLLOKOSA-N -1 3 352.442 2.921 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)ccc(F)c1N ZINC001588649159 1080139706 /nfs/dbraw/zinc/13/97/06/1080139706.db2.gz JSOOJCVWEPFKRD-UHFFFAOYSA-N -1 3 366.400 2.725 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)ccc(F)c1N ZINC001588649159 1080139710 /nfs/dbraw/zinc/13/97/10/1080139710.db2.gz JSOOJCVWEPFKRD-UHFFFAOYSA-N -1 3 366.400 2.725 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)ccc1OC ZINC001588649644 1080139886 /nfs/dbraw/zinc/13/98/86/1080139886.db2.gz XCMGWJWBQGFMAQ-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)ccc1OC ZINC001588649644 1080139889 /nfs/dbraw/zinc/13/98/89/1080139889.db2.gz XCMGWJWBQGFMAQ-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCN(Cc1nc(C(C)(C)C)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588651969 1080142048 /nfs/dbraw/zinc/14/20/48/1080142048.db2.gz BPFRBMNRXZODBW-UHFFFAOYSA-N -1 3 353.430 2.735 20 30 FFEDHM C=CCN(Cc1nc(C(C)(C)C)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588651969 1080142053 /nfs/dbraw/zinc/14/20/53/1080142053.db2.gz BPFRBMNRXZODBW-UHFFFAOYSA-N -1 3 353.430 2.735 20 30 FFEDHM C=CCN(Cc1csc(NCC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652047 1080142287 /nfs/dbraw/zinc/14/22/87/1080142287.db2.gz GKRREGTZQSEWQR-UHFFFAOYSA-N -1 3 355.471 2.943 20 30 FFEDHM C=CCN(Cc1csc(NCC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652047 1080142290 /nfs/dbraw/zinc/14/22/90/1080142290.db2.gz GKRREGTZQSEWQR-UHFFFAOYSA-N -1 3 355.471 2.943 20 30 FFEDHM C=CCOCC(=O)OCc1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001588680801 1080152663 /nfs/dbraw/zinc/15/26/63/1080152663.db2.gz DXGOIBTWIWJHSH-UHFFFAOYSA-N -1 3 366.377 2.905 20 30 FFEDHM C=CCOCC(=O)OCc1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001588680801 1080152666 /nfs/dbraw/zinc/15/26/66/1080152666.db2.gz DXGOIBTWIWJHSH-UHFFFAOYSA-N -1 3 366.377 2.905 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CC(C)(C)C ZINC001588696390 1080159858 /nfs/dbraw/zinc/15/98/58/1080159858.db2.gz LXBJNKVANBMICV-UHFFFAOYSA-N -1 3 352.446 2.794 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CC(C)(C)C ZINC001588696390 1080159862 /nfs/dbraw/zinc/15/98/62/1080159862.db2.gz LXBJNKVANBMICV-UHFFFAOYSA-N -1 3 352.446 2.794 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)[nH]2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001588697156 1080159915 /nfs/dbraw/zinc/15/99/15/1080159915.db2.gz SIBRFWFIRWRJDU-GFCCVEGCSA-N -1 3 367.461 2.512 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)[nH]2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001588697156 1080159918 /nfs/dbraw/zinc/15/99/18/1080159918.db2.gz SIBRFWFIRWRJDU-GFCCVEGCSA-N -1 3 367.461 2.512 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001588699189 1080161141 /nfs/dbraw/zinc/16/11/41/1080161141.db2.gz FLYZSMILJDDYLV-BBRMVZONSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001588699189 1080161143 /nfs/dbraw/zinc/16/11/43/1080161143.db2.gz FLYZSMILJDDYLV-BBRMVZONSA-N -1 3 362.441 2.690 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776507 1080191116 /nfs/dbraw/zinc/19/11/16/1080191116.db2.gz PRNXZYBNDXYHSF-MQIPJXDCSA-N -1 3 371.514 2.880 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776507 1080191120 /nfs/dbraw/zinc/19/11/20/1080191120.db2.gz PRNXZYBNDXYHSF-MQIPJXDCSA-N -1 3 371.514 2.880 20 30 FFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NCCCC1(C#N)CCOCC1 ZINC001588894018 1080242927 /nfs/dbraw/zinc/24/29/27/1080242927.db2.gz BCWMGNCCRSSNCV-UHFFFAOYSA-N -1 3 354.414 2.582 20 30 FFEDHM C[C@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001588934385 1080270865 /nfs/dbraw/zinc/27/08/65/1080270865.db2.gz KMVACXLFAFVLHY-PWDRSIHYSA-N -1 3 372.388 2.765 20 30 FFEDHM C[C@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001588934385 1080270872 /nfs/dbraw/zinc/27/08/72/1080270872.db2.gz KMVACXLFAFVLHY-PWDRSIHYSA-N -1 3 372.388 2.765 20 30 FFEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CC(Nc3cccc(C#N)c3)C2)n1 ZINC001589215283 1080424619 /nfs/dbraw/zinc/42/46/19/1080424619.db2.gz RUZSOZWNAZKCIP-UHFFFAOYSA-N -1 3 374.452 2.732 20 30 FFEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CC(Nc3cccc(C#N)c3)C2)n1 ZINC001589215283 1080424630 /nfs/dbraw/zinc/42/46/30/1080424630.db2.gz RUZSOZWNAZKCIP-UHFFFAOYSA-N -1 3 374.452 2.732 20 30 FFEDHM CC(C)(NC(=O)Nc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589317258 1080480111 /nfs/dbraw/zinc/48/01/11/1080480111.db2.gz LBAZUOKZGHIJHN-UHFFFAOYSA-N -1 3 361.409 2.990 20 30 FFEDHM CC(C)(NC(=O)Nc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589317258 1080480114 /nfs/dbraw/zinc/48/01/14/1080480114.db2.gz LBAZUOKZGHIJHN-UHFFFAOYSA-N -1 3 361.409 2.990 20 30 FFEDHM CC(C)[C@@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589507270 1080572218 /nfs/dbraw/zinc/57/22/18/1080572218.db2.gz GFPHSQGEUKLHPA-SJLPKXTDSA-N -1 3 366.469 2.834 20 30 FFEDHM CC(C)c1cccc(CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001589771591 1080726957 /nfs/dbraw/zinc/72/69/57/1080726957.db2.gz WTWSFJOYGLAHHO-LJQANCHMSA-N -1 3 374.448 2.989 20 30 FFEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCN(Cc3ccccc3)C2)o1 ZINC001589773440 1080729343 /nfs/dbraw/zinc/72/93/43/1080729343.db2.gz CKBVCRWEBFBTIZ-UHFFFAOYSA-N -1 3 366.429 2.652 20 30 FFEDHM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCN(Cc3ccccc3)C2)o1 ZINC001589773440 1080729352 /nfs/dbraw/zinc/72/93/52/1080729352.db2.gz CKBVCRWEBFBTIZ-UHFFFAOYSA-N -1 3 366.429 2.652 20 30 FFEDHM C[C@H](C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1)NC(=O)C#CC(C)(C)C ZINC001589800277 1080755738 /nfs/dbraw/zinc/75/57/38/1080755738.db2.gz XORVEXXAOWJFBQ-QWHCGFSZSA-N -1 3 372.448 2.751 20 30 FFEDHM C[C@H](C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1)NC(=O)C#CC(C)(C)C ZINC001589800277 1080755742 /nfs/dbraw/zinc/75/57/42/1080755742.db2.gz XORVEXXAOWJFBQ-QWHCGFSZSA-N -1 3 372.448 2.751 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](CC#N)c1ccco1 ZINC001589894881 1080841732 /nfs/dbraw/zinc/84/17/32/1080841732.db2.gz NLRCJWWMFFTLFV-BLLLJJGKSA-N -1 3 351.366 2.836 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](CC#N)c1ccco1 ZINC001589894881 1080841736 /nfs/dbraw/zinc/84/17/36/1080841736.db2.gz NLRCJWWMFFTLFV-BLLLJJGKSA-N -1 3 351.366 2.836 20 30 FFEDHM C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589915576 1080857526 /nfs/dbraw/zinc/85/75/26/1080857526.db2.gz KTEXJPFPIDTHRS-YZVOILCLSA-N -1 3 374.448 2.857 20 30 FFEDHM C[C@@H](NC(=O)NCCC#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001589932762 1080875494 /nfs/dbraw/zinc/87/54/94/1080875494.db2.gz DEVZEZWBMNSFQX-CYBMUJFWSA-N -1 3 361.409 2.808 20 30 FFEDHM C[C@@H](NC(=O)NCCC#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001589932762 1080875500 /nfs/dbraw/zinc/87/55/00/1080875500.db2.gz DEVZEZWBMNSFQX-CYBMUJFWSA-N -1 3 361.409 2.808 20 30 FFEDHM C[C@@H](NN=Cc1cc(-c2nnn[n-]2)ccc1Br)C(F)(F)F ZINC001589976200 1080916157 /nfs/dbraw/zinc/91/61/57/1080916157.db2.gz KVOGWSMVBVUKMX-ZCFIWIBFSA-N -1 3 363.141 2.504 20 30 FFEDHM C[C@@H](NN=Cc1cc(-c2nn[n-]n2)ccc1Br)C(F)(F)F ZINC001589976200 1080916161 /nfs/dbraw/zinc/91/61/61/1080916161.db2.gz KVOGWSMVBVUKMX-ZCFIWIBFSA-N -1 3 363.141 2.504 20 30 FFEDHM C[C@@]1(C#N)CCN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)C1 ZINC001590056655 1080983080 /nfs/dbraw/zinc/98/30/80/1080983080.db2.gz PFMPRMGGTUOGJV-IBGZPJMESA-N -1 3 362.441 2.532 20 30 FFEDHM C[C@@]1(C#N)CCN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)C1 ZINC001590056655 1080983083 /nfs/dbraw/zinc/98/30/83/1080983083.db2.gz PFMPRMGGTUOGJV-IBGZPJMESA-N -1 3 362.441 2.532 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1(C)C ZINC001590146811 1081049446 /nfs/dbraw/zinc/04/94/46/1081049446.db2.gz GDDZWCSWRXMVRQ-CVEARBPZSA-N -1 3 373.453 2.919 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2F)ccc1F ZINC000029009214 210165150 /nfs/dbraw/zinc/16/51/50/210165150.db2.gz ABQKMDOIVMXHSA-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM CO[C@H]1Cc2ccccc2N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000283446983 256875734 /nfs/dbraw/zinc/87/57/34/256875734.db2.gz XXERMJXXHRZSGT-INIZCTEOSA-N -1 3 365.433 2.813 20 30 FFEDHM Cc1cccc2c1OC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000290600597 257345392 /nfs/dbraw/zinc/34/53/92/257345392.db2.gz DKWYIOJTKOPAAP-INIZCTEOSA-N -1 3 365.433 2.637 20 30 FFEDHM Cc1nsc(N2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c1C#N ZINC000291226263 257392383 /nfs/dbraw/zinc/39/23/83/257392383.db2.gz WLYVVJLEUXOVKT-UHFFFAOYSA-N -1 3 362.842 2.645 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000330875124 258172519 /nfs/dbraw/zinc/17/25/19/258172519.db2.gz UDBWBGZQLUAECI-ZSEKCTLFSA-N -1 3 373.497 2.902 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000329396907 258137642 /nfs/dbraw/zinc/13/76/42/258137642.db2.gz XPKDZLMMUFLHOB-SFHVURJKSA-N -1 3 357.454 2.626 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000032632529 506272500 /nfs/dbraw/zinc/27/25/00/506272500.db2.gz MKOGXGYDOTXTDY-UHFFFAOYSA-N -1 3 350.783 2.784 20 30 FFEDHM C=CCOc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000056337584 506989528 /nfs/dbraw/zinc/98/95/28/506989528.db2.gz XTKOMVWBWZAWLI-LBPRGKRZSA-N -1 3 366.464 2.618 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCCc1ccccc1 ZINC000046639321 507165382 /nfs/dbraw/zinc/16/53/82/507165382.db2.gz OBHAAPSNCSJIKI-UHFFFAOYSA-N -1 3 351.450 2.887 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(C#N)CC3)nc(=O)c2c1C ZINC000057907806 507351361 /nfs/dbraw/zinc/35/13/61/507351361.db2.gz BSTUOVOGZSJNNB-NSHDSACASA-N -1 3 374.466 2.766 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000030359892 507807223 /nfs/dbraw/zinc/80/72/23/507807223.db2.gz ADBGKOGCVZWBKT-LLVKDONJSA-N -1 3 364.398 2.754 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052512231 507811612 /nfs/dbraw/zinc/81/16/12/507811612.db2.gz JICVJDQHXIJFAW-GOSISDBHSA-N -1 3 363.417 2.527 20 30 FFEDHM COc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1N1CCCCC1=O ZINC000031643008 507820806 /nfs/dbraw/zinc/82/08/06/507820806.db2.gz OOQMKWDJSQALGY-SSDVNMTOSA-N -1 3 369.421 2.864 20 30 FFEDHM CCC1(CC)[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@H](C)[C@@H]1OC ZINC000092556664 508081718 /nfs/dbraw/zinc/08/17/18/508081718.db2.gz IVMXMGVDZIZCNZ-BKTGTZMESA-N -1 3 373.497 2.752 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000156356308 508407463 /nfs/dbraw/zinc/40/74/63/508407463.db2.gz LRCHZSLYDIDDFD-AWEZNQCLSA-N -1 3 371.418 2.865 20 30 FFEDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1F ZINC000135367818 508595436 /nfs/dbraw/zinc/59/54/36/508595436.db2.gz LOBJPMXPTOUKGQ-UHFFFAOYSA-N -1 3 351.334 2.596 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2cnc3c(cnn3C)c2[O-])cc1C#N ZINC000119397899 508787921 /nfs/dbraw/zinc/78/79/21/508787921.db2.gz VGVZYTSSABDITE-UHFFFAOYSA-N -1 3 351.366 2.585 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000139422575 508788401 /nfs/dbraw/zinc/78/84/01/508788401.db2.gz PUFLMWDVJNTMNI-CYBMUJFWSA-N -1 3 363.421 2.550 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1C(F)(F)F ZINC000130800736 508848482 /nfs/dbraw/zinc/84/84/82/508848482.db2.gz OIIUKBJVWBLSNV-UHFFFAOYSA-N -1 3 367.312 2.649 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1C(F)(F)F ZINC000130800736 508848484 /nfs/dbraw/zinc/84/84/84/508848484.db2.gz OIIUKBJVWBLSNV-UHFFFAOYSA-N -1 3 367.312 2.649 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccncc1Br ZINC000147583587 508858709 /nfs/dbraw/zinc/85/87/09/508858709.db2.gz KIXNWJSIIAOXHJ-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000125309355 508963196 /nfs/dbraw/zinc/96/31/96/508963196.db2.gz JQOSGMDVHNFABC-ZDUSSCGKSA-N -1 3 356.856 2.594 20 30 FFEDHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151170432 508971328 /nfs/dbraw/zinc/97/13/28/508971328.db2.gz FNEBALGACPDLCV-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1C1CCOCC1 ZINC000155509809 509016388 /nfs/dbraw/zinc/01/63/88/509016388.db2.gz PDFRACATEOKNHK-OAHLLOKOSA-N -1 3 363.421 2.920 20 30 FFEDHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000125715067 509020416 /nfs/dbraw/zinc/02/04/16/509020416.db2.gz DVVIMTRFDISQRQ-TZMCWYRMSA-N -1 3 369.468 2.809 20 30 FFEDHM COc1ccc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)cc1C#N ZINC000161172658 509080459 /nfs/dbraw/zinc/08/04/59/509080459.db2.gz GABMQXSAZIPDJI-UHFFFAOYSA-N -1 3 374.466 2.782 20 30 FFEDHM COc1ccc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)cc1C#N ZINC000161172658 509080461 /nfs/dbraw/zinc/08/04/61/509080461.db2.gz GABMQXSAZIPDJI-UHFFFAOYSA-N -1 3 374.466 2.782 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000132899382 509089417 /nfs/dbraw/zinc/08/94/17/509089417.db2.gz STXWRWHBRXWTPF-JTQLQIEISA-N -1 3 362.373 2.670 20 30 FFEDHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000151844667 509095177 /nfs/dbraw/zinc/09/51/77/509095177.db2.gz ZVDUFRVPWOQUIH-DLBZAZTESA-N -1 3 359.470 2.506 20 30 FFEDHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156020715 509111873 /nfs/dbraw/zinc/11/18/73/509111873.db2.gz OBPFVOKIQXQOOK-ZDUSSCGKSA-N -1 3 359.407 2.766 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000133382585 509153429 /nfs/dbraw/zinc/15/34/29/509153429.db2.gz KNQNYJVUHIMTFC-UHFFFAOYSA-N -1 3 364.327 2.849 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000161999516 509168945 /nfs/dbraw/zinc/16/89/45/509168945.db2.gz XVMKPLVGNIKQHX-OAHLLOKOSA-N -1 3 356.875 2.821 20 30 FFEDHM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000192133960 509363785 /nfs/dbraw/zinc/36/37/85/509363785.db2.gz SLDQLIXQPYMWGW-UHFFFAOYSA-N -1 3 355.231 2.764 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cs1 ZINC000267629399 509572948 /nfs/dbraw/zinc/57/29/48/509572948.db2.gz NGNFQIJLSRJKAO-SECBINFHSA-N -1 3 371.871 2.854 20 30 FFEDHM C[C@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000192834420 509664751 /nfs/dbraw/zinc/66/47/51/509664751.db2.gz LHKQSMZIYAIGCG-ZCFIWIBFSA-N -1 3 357.151 2.658 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000180050845 509726430 /nfs/dbraw/zinc/72/64/30/509726430.db2.gz RWWYAXBLQWHJBM-HNNXBMFYSA-N -1 3 350.827 2.878 20 30 FFEDHM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CCCCC#N)n2)cc1 ZINC000268530956 509992461 /nfs/dbraw/zinc/99/24/61/509992461.db2.gz XMMWPYFACOOMEE-ZDUSSCGKSA-N -1 3 362.455 2.973 20 30 FFEDHM CC(=O)Nc1ccc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000187288076 510172104 /nfs/dbraw/zinc/17/21/04/510172104.db2.gz QPIJSXCYTVZKJM-INIZCTEOSA-N -1 3 351.410 2.761 20 30 FFEDHM CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1(CC)CC ZINC000177713748 510211526 /nfs/dbraw/zinc/21/15/26/510211526.db2.gz PASFEAUATDIFMD-ZWKOTPCHSA-N -1 3 373.497 2.896 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccc(C)c(C)c1 ZINC000184259187 510224330 /nfs/dbraw/zinc/22/43/30/510224330.db2.gz KLIKIXFPPFYVBY-SFHVURJKSA-N -1 3 372.446 2.509 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000194545449 510417756 /nfs/dbraw/zinc/41/77/56/510417756.db2.gz PQHRTOISSJLPMF-UHFFFAOYSA-N -1 3 366.302 2.655 20 30 FFEDHM C=CCNc1ncc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000178505802 510636259 /nfs/dbraw/zinc/63/62/59/510636259.db2.gz WXSXIOQTYHPCGL-UHFFFAOYSA-N -1 3 370.431 2.504 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)OCC ZINC000270073197 510663076 /nfs/dbraw/zinc/66/30/76/510663076.db2.gz XZCRDHNSZVEGPC-OAHLLOKOSA-N -1 3 370.471 2.767 20 30 FFEDHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185072773 510669508 /nfs/dbraw/zinc/66/95/08/510669508.db2.gz JJGPXRBHEWFWTC-CJNGLKHVSA-N -1 3 356.875 2.941 20 30 FFEDHM CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188374570 510735273 /nfs/dbraw/zinc/73/52/73/510735273.db2.gz MZEIXYPXBVEMER-LJQANCHMSA-N -1 3 364.449 2.786 20 30 FFEDHM N#Cc1ccc(Br)c(CSc2nc3n[nH]cc3c(=O)[n-]2)c1 ZINC000191680108 510783233 /nfs/dbraw/zinc/78/32/33/510783233.db2.gz VFUVSRZUIOTPIX-UHFFFAOYSA-N -1 3 362.212 2.573 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000185282801 510789664 /nfs/dbraw/zinc/78/96/64/510789664.db2.gz CODYPBBJMQSLKS-SWLSCSKDSA-N -1 3 372.899 2.545 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000275968687 510921402 /nfs/dbraw/zinc/92/14/02/510921402.db2.gz CWWPNPNDILMMMP-UHFFFAOYSA-N -1 3 365.455 2.652 20 30 FFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)o1 ZINC000294099000 510955719 /nfs/dbraw/zinc/95/57/19/510955719.db2.gz BSKLCULCRRWIGE-INIZCTEOSA-N -1 3 366.414 2.660 20 30 FFEDHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000331347318 511062411 /nfs/dbraw/zinc/06/24/11/511062411.db2.gz SDVCFEIMTYKITQ-KCJUWKMLSA-N -1 3 363.317 2.584 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000271048128 511067947 /nfs/dbraw/zinc/06/79/47/511067947.db2.gz RYZKFNOEXCLIJS-YOEHRIQHSA-N -1 3 359.470 2.918 20 30 FFEDHM C#CCCCC[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000271215635 511124771 /nfs/dbraw/zinc/12/47/71/511124771.db2.gz NFRJQZILFPCCOT-UHFFFAOYSA-N -1 3 370.540 2.535 20 30 FFEDHM C#CCn1ccc(CN(CC)Cc2cc(=O)oc3cc([O-])c(CC)cc23)n1 ZINC000279694579 511180717 /nfs/dbraw/zinc/18/07/17/511180717.db2.gz ICDAFFCGWCSHSV-UHFFFAOYSA-N -1 3 365.433 2.913 20 30 FFEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@]3(C#N)CCc4ccccc4C3)cn21 ZINC000333165799 511181054 /nfs/dbraw/zinc/18/10/54/511181054.db2.gz MSOJJMWYYDFSQK-KUHUBIRLSA-N -1 3 370.478 2.510 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@H]1OCCc2sccc21 ZINC000291961589 511407538 /nfs/dbraw/zinc/40/75/38/511407538.db2.gz PMXXHJORXBPGTN-QLJPJBMISA-N -1 3 366.439 2.740 20 30 FFEDHM C=CCN(Cc1cc(Cl)c([O-])c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000283937127 511549565 /nfs/dbraw/zinc/54/95/65/511549565.db2.gz HQYKAJXYKWVQCB-CYBMUJFWSA-N -1 3 359.875 2.619 20 30 FFEDHM CCS(=O)(=O)c1ccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000284096558 511603535 /nfs/dbraw/zinc/60/35/35/511603535.db2.gz VWFJREUXQSCCJO-HMASQMOLSA-N -1 3 362.451 2.562 20 30 FFEDHM COc1ccc(CC/N=C/c2c([O-])c(C)ncc2CO)cc1OC(F)F ZINC000299579930 511664652 /nfs/dbraw/zinc/66/46/52/511664652.db2.gz COJDUBLJAUKQFK-ZVBGSRNCSA-N -1 3 366.364 2.860 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC3(C#N)CCC3)cs2)c1 ZINC000274162343 511739080 /nfs/dbraw/zinc/73/90/80/511739080.db2.gz GSEOAENMDOAGRH-UHFFFAOYSA-N -1 3 370.434 2.514 20 30 FFEDHM C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328902389 511947893 /nfs/dbraw/zinc/94/78/93/511947893.db2.gz GOFDFGVTJNHDAL-LRDDRELGSA-N -1 3 352.394 2.893 20 30 FFEDHM C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCC1=O ZINC000328936300 511953158 /nfs/dbraw/zinc/95/31/58/511953158.db2.gz FVDSZXCQEUIETG-RYUDHWBXSA-N -1 3 366.439 2.525 20 30 FFEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000329140120 511991460 /nfs/dbraw/zinc/99/14/60/511991460.db2.gz FQVOTUONKKKTLF-LBPRGKRZSA-N -1 3 351.790 2.945 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000364302606 512075775 /nfs/dbraw/zinc/07/57/75/512075775.db2.gz LPMNFXVVIMUBJF-SJORKVTESA-N -1 3 371.481 2.874 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000368746762 513086112 /nfs/dbraw/zinc/08/61/12/513086112.db2.gz STTGYCQODMTLLD-INIZCTEOSA-N -1 3 357.454 2.626 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1F ZINC000446635145 513301420 /nfs/dbraw/zinc/30/14/20/513301420.db2.gz SKXUDOOZBXERNX-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000425179862 513439654 /nfs/dbraw/zinc/43/96/54/513439654.db2.gz QMNPTNCJCBYEBE-CABZTGNLSA-N -1 3 353.337 2.714 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000425180622 513439676 /nfs/dbraw/zinc/43/96/76/513439676.db2.gz SXBYMYZXNZISQL-CABZTGNLSA-N -1 3 353.337 2.714 20 30 FFEDHM C=CCn1cc(CNCc2cc(Br)c([O-])c(OCC)c2)nn1 ZINC000425349072 513521940 /nfs/dbraw/zinc/52/19/40/513521940.db2.gz FSEQCLWHAYDSPY-UHFFFAOYSA-N -1 3 367.247 2.621 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000435425424 513580296 /nfs/dbraw/zinc/58/02/96/513580296.db2.gz CRJVYCPUXPMXCV-LBPRGKRZSA-N -1 3 367.883 2.830 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)s1 ZINC000435429040 513583017 /nfs/dbraw/zinc/58/30/17/513583017.db2.gz UQSVIFGXMPBEDK-UHFFFAOYSA-N -1 3 350.318 2.655 20 30 FFEDHM C[C@H]1C[C@H](C)CN(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435433470 513584249 /nfs/dbraw/zinc/58/42/49/513584249.db2.gz SDVUXIFNTTZQQF-STQMWFEESA-N -1 3 355.529 2.655 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)s1 ZINC000435435239 513586739 /nfs/dbraw/zinc/58/67/39/513586739.db2.gz XMOKFEARLIQOES-UHFFFAOYSA-N -1 3 358.391 2.742 20 30 FFEDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435438805 513587784 /nfs/dbraw/zinc/58/77/84/513587784.db2.gz RNBWGHDGWDXCGN-UHFFFAOYSA-N -1 3 350.465 2.884 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000435442982 513592040 /nfs/dbraw/zinc/59/20/40/513592040.db2.gz OBKPFWWBJNRJCT-ZDUSSCGKSA-N -1 3 356.856 2.939 20 30 FFEDHM C=CCCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000447986572 513649100 /nfs/dbraw/zinc/64/91/00/513649100.db2.gz JFXKNMRIBBJCSE-UHFFFAOYSA-N -1 3 357.451 2.990 20 30 FFEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1OC ZINC000435727578 513669361 /nfs/dbraw/zinc/66/93/61/513669361.db2.gz ZGDASVNLNDQASZ-UHFFFAOYSA-N -1 3 350.371 2.824 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(-n2cccn2)cc1 ZINC000443090976 513869735 /nfs/dbraw/zinc/86/97/35/513869735.db2.gz DDJUYKJCYODCRH-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM C[C@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443124796 513879218 /nfs/dbraw/zinc/87/92/18/513879218.db2.gz CDOYOCGUFVOBCH-QWHCGFSZSA-N -1 3 351.428 2.961 20 30 FFEDHM Cc1cccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1[O-] ZINC000436541979 513891757 /nfs/dbraw/zinc/89/17/57/513891757.db2.gz BIPNCICXRZUHJG-MRXNPFEDSA-N -1 3 367.430 2.726 20 30 FFEDHM COc1cc([C@@H](C#N)NC(=O)c2cc(C)ccc2[O-])cc(OC)c1OC ZINC000436607123 513914498 /nfs/dbraw/zinc/91/44/98/513914498.db2.gz OEHHZJNVIBYLII-CQSZACIVSA-N -1 3 356.378 2.721 20 30 FFEDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cccc(Cl)c3C#N)nc2c1 ZINC000443329870 513938033 /nfs/dbraw/zinc/93/80/33/513938033.db2.gz AWYODELVNBJHQF-UHFFFAOYSA-N -1 3 360.826 2.875 20 30 FFEDHM C=CCNS(=O)(=O)c1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436778432 513975622 /nfs/dbraw/zinc/97/56/22/513975622.db2.gz RVYRBSUDBNDFAB-UHFFFAOYSA-N -1 3 357.391 2.574 20 30 FFEDHM O=C(CN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F)[N-]CC(F)(F)F ZINC000451835984 514012879 /nfs/dbraw/zinc/01/28/79/514012879.db2.gz GZPILTVALVVMIS-POYBYMJQSA-N -1 3 360.220 2.870 20 30 FFEDHM CC(=O)c1sc2[n-]c(Cn3nc(C#N)c4ccccc43)nc(=O)c2c1C ZINC000432458418 514201676 /nfs/dbraw/zinc/20/16/76/514201676.db2.gz VCFQDJBDQUDEEL-UHFFFAOYSA-N -1 3 363.402 2.765 20 30 FFEDHM C=CCN(CCOC)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444415772 514223606 /nfs/dbraw/zinc/22/36/06/514223606.db2.gz VMYVNZXOYBKDDO-UHFFFAOYSA-N -1 3 370.327 2.701 20 30 FFEDHM CCc1ccccc1[C@@H](N)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000423985172 514322309 /nfs/dbraw/zinc/32/23/09/514322309.db2.gz URPYXHRBUCBXRW-IBGZPJMESA-N -1 3 366.465 2.587 20 30 FFEDHM CCCCOc1ccc(CC[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428230868 514427716 /nfs/dbraw/zinc/42/77/16/514427716.db2.gz TVJPKACTJOHALU-UHFFFAOYSA-N -1 3 359.451 2.653 20 30 FFEDHM N#CCN1CCC(CNC(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000449937048 514431968 /nfs/dbraw/zinc/43/19/68/514431968.db2.gz ASXNNIUNWUBHHJ-UHFFFAOYSA-N -1 3 351.450 2.830 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1cc(Cl)cc(Cl)c1 ZINC000428268684 514437687 /nfs/dbraw/zinc/43/76/87/514437687.db2.gz RNSZIVDGXFJZQA-UHFFFAOYSA-N -1 3 356.234 2.781 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000470822242 514627568 /nfs/dbraw/zinc/62/75/68/514627568.db2.gz QFRRBIDAHMIHKQ-UHFFFAOYSA-N -1 3 365.415 2.649 20 30 FFEDHM Cc1ccc(F)c(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1 ZINC000466417007 514641608 /nfs/dbraw/zinc/64/16/08/514641608.db2.gz MVUSOTXXBDKFPI-VIFPVBQESA-N -1 3 356.279 2.834 20 30 FFEDHM C=CCn1cccc1C(=O)Nc1n[n-]c(-c2ccc(OC)cc2OC)n1 ZINC000488994553 514666551 /nfs/dbraw/zinc/66/65/51/514666551.db2.gz GCMBTDYYLSOEOM-UHFFFAOYSA-N -1 3 353.382 2.729 20 30 FFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000508098770 514667744 /nfs/dbraw/zinc/66/77/44/514667744.db2.gz WYJLYIYTHOFNKD-AWEZNQCLSA-N -1 3 357.457 2.525 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000489215900 514755699 /nfs/dbraw/zinc/75/56/99/514755699.db2.gz GKUDXIGJNLVYMK-AWEZNQCLSA-N -1 3 350.444 2.714 20 30 FFEDHM COC[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000471607578 514953740 /nfs/dbraw/zinc/95/37/40/514953740.db2.gz VVDXKSJZPMGINR-QGZVFWFLSA-N -1 3 367.449 2.582 20 30 FFEDHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1 ZINC000476231722 514958189 /nfs/dbraw/zinc/95/81/89/514958189.db2.gz WGWWWPFZJCYYJR-UHFFFAOYSA-N -1 3 374.466 2.627 20 30 FFEDHM C=CCCCCNC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000471696041 514985245 /nfs/dbraw/zinc/98/52/45/514985245.db2.gz ZDCZYZONAVBQFK-UHFFFAOYSA-N -1 3 370.453 2.871 20 30 FFEDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476301985 514989819 /nfs/dbraw/zinc/98/98/19/514989819.db2.gz BZYHWESAYMAYRY-HNNXBMFYSA-N -1 3 364.854 2.748 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OC(C)C ZINC000503460843 515042585 /nfs/dbraw/zinc/04/25/85/515042585.db2.gz QTEKOQXXAAXATC-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000480733718 515063219 /nfs/dbraw/zinc/06/32/19/515063219.db2.gz PBVMTJMUPLJRBJ-LLVKDONJSA-N -1 3 358.847 2.610 20 30 FFEDHM C=CCOc1cccc([N-]S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)c1 ZINC000476513086 515080627 /nfs/dbraw/zinc/08/06/27/515080627.db2.gz TXFDLVOEFVSDDK-HZPDHXFCSA-N -1 3 353.440 2.725 20 30 FFEDHM C=CCOc1cccc([N-]S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)c1 ZINC000476513081 515080921 /nfs/dbraw/zinc/08/09/21/515080921.db2.gz TXFDLVOEFVSDDK-CVEARBPZSA-N -1 3 353.440 2.725 20 30 FFEDHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000486500587 515513566 /nfs/dbraw/zinc/51/35/66/515513566.db2.gz RUMOHGXTOBPASV-UHFFFAOYSA-N -1 3 363.826 2.714 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000469018361 515630872 /nfs/dbraw/zinc/63/08/72/515630872.db2.gz QILCUBWVOQNKKF-YPMHNXCESA-N -1 3 360.863 2.580 20 30 FFEDHM CCS(=O)(=O)Cc1ccc(NC(=O)[N-]c2snc(C)c2C#N)cc1 ZINC000459556622 515646458 /nfs/dbraw/zinc/64/64/58/515646458.db2.gz BTSKFNNBLSCMIX-UHFFFAOYSA-N -1 3 364.452 2.902 20 30 FFEDHM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464429503 515821709 /nfs/dbraw/zinc/82/17/09/515821709.db2.gz WIMIFUDSMCKVOE-ZDUSSCGKSA-N -1 3 358.283 2.566 20 30 FFEDHM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464467174 515836260 /nfs/dbraw/zinc/83/62/60/515836260.db2.gz KABRELPJKBDPRZ-CYBMUJFWSA-N -1 3 358.283 2.566 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511380104 515884271 /nfs/dbraw/zinc/88/42/71/515884271.db2.gz DZTVNUYXTRJXBR-HNNXBMFYSA-N -1 3 352.232 2.686 20 30 FFEDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000511808231 516037938 /nfs/dbraw/zinc/03/79/38/516037938.db2.gz OFVARQHBXSEKEF-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM Cc1ccc2ncc(C#N)c(NCCCNC(=O)c3cccc([O-])c3)c2c1 ZINC000488123017 516124997 /nfs/dbraw/zinc/12/49/97/516124997.db2.gz IKYJVBCJVWLGNA-UHFFFAOYSA-N -1 3 360.417 2.774 20 30 FFEDHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC#N)ccc2C)cc1 ZINC000460504116 516172782 /nfs/dbraw/zinc/17/27/82/516172782.db2.gz OVFYPYSWUUHVEV-UHFFFAOYSA-N -1 3 359.407 2.657 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)c1 ZINC000528551632 516525131 /nfs/dbraw/zinc/52/51/31/516525131.db2.gz OEBBJOZQMWBCMP-CQSZACIVSA-N -1 3 353.875 2.507 20 30 FFEDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000528553960 516526209 /nfs/dbraw/zinc/52/62/09/516526209.db2.gz PRTGUFMHGXEDOQ-PUXPGTEJSA-N -1 3 362.373 2.667 20 30 FFEDHM N#Cc1cccc(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c1 ZINC000518146661 516560823 /nfs/dbraw/zinc/56/08/23/516560823.db2.gz CAFWGRXVJCGPMB-UHFFFAOYSA-N -1 3 353.403 2.833 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000561400171 516562813 /nfs/dbraw/zinc/56/28/13/516562813.db2.gz GBZIZMFFSDQVFH-AWEZNQCLSA-N -1 3 355.341 2.578 20 30 FFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000551205204 516605702 /nfs/dbraw/zinc/60/57/02/516605702.db2.gz GYOXTEXGAOBQJF-NSHDSACASA-N -1 3 361.847 2.768 20 30 FFEDHM N#Cc1cc([N+](=O)[O-])cnc1[N-]c1cnn(-c2cnc3ccccc3n2)c1 ZINC000536155964 516656707 /nfs/dbraw/zinc/65/67/07/516656707.db2.gz WWOOCAVCFMXYCN-UHFFFAOYSA-N -1 3 358.321 2.734 20 30 FFEDHM Cc1ncc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c(=O)[n-]1 ZINC000544264369 516669006 /nfs/dbraw/zinc/66/90/06/516669006.db2.gz ZJRLXSIIJPAQAY-UHFFFAOYSA-N -1 3 374.400 2.871 20 30 FFEDHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)cc1C ZINC000551384904 516685770 /nfs/dbraw/zinc/68/57/70/516685770.db2.gz DHGOHFIDDZFOQO-UHFFFAOYSA-N -1 3 362.382 2.983 20 30 FFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000544335862 516706501 /nfs/dbraw/zinc/70/65/01/516706501.db2.gz HZBNJHHHOJZDEM-UHFFFAOYSA-N -1 3 352.350 2.819 20 30 FFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000544335862 516706508 /nfs/dbraw/zinc/70/65/08/516706508.db2.gz HZBNJHHHOJZDEM-UHFFFAOYSA-N -1 3 352.350 2.819 20 30 FFEDHM CC(C)(C#N)CCS(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000558437077 516742113 /nfs/dbraw/zinc/74/21/13/516742113.db2.gz WLGZKSLFIJOYCH-UHFFFAOYSA-N -1 3 361.261 2.514 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]2CCCO[C@H]21 ZINC000548122708 516777648 /nfs/dbraw/zinc/77/76/48/516777648.db2.gz WCDGLNYRVJHWFX-NILFDRSVSA-N -1 3 354.859 2.694 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(F)c(F)c(F)c2)c(F)c1 ZINC000540941204 516788797 /nfs/dbraw/zinc/78/87/97/516788797.db2.gz CTRAUAGZHZJLCF-UHFFFAOYSA-N -1 3 358.316 2.636 20 30 FFEDHM N#Cc1c(F)cccc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000551705606 516831531 /nfs/dbraw/zinc/83/15/31/516831531.db2.gz DZRDYHMCHILHLL-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(CC#N)ccn2)cc1 ZINC000532180982 516847456 /nfs/dbraw/zinc/84/74/56/516847456.db2.gz IJYQKMRIVYGAII-UHFFFAOYSA-N -1 3 358.423 2.552 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000562067463 516903436 /nfs/dbraw/zinc/90/34/36/516903436.db2.gz QCPFTKIGWWXWGV-CQSZACIVSA-N -1 3 355.341 2.925 20 30 FFEDHM Cc1ccc2c(CN3CCN(c4cccc(C#N)n4)CC3)ccc([O-])c2n1 ZINC000558723556 516911739 /nfs/dbraw/zinc/91/17/39/516911739.db2.gz PTJHZEMEXOLYDW-UHFFFAOYSA-N -1 3 359.433 2.838 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)C1CCCCC1 ZINC000555415031 516918021 /nfs/dbraw/zinc/91/80/21/516918021.db2.gz XXWQGJVMTGHSGP-CQSZACIVSA-N -1 3 356.875 2.679 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccncn1 ZINC000544814657 516939395 /nfs/dbraw/zinc/93/93/95/516939395.db2.gz GOHKTNDFJDTNGM-KRWDZBQOSA-N -1 3 374.400 2.895 20 30 FFEDHM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)N1CCCCC1 ZINC000525676582 517109408 /nfs/dbraw/zinc/10/94/08/517109408.db2.gz AKUMXCXICFTCSU-UHFFFAOYSA-N -1 3 358.423 2.888 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526960318 517410494 /nfs/dbraw/zinc/41/04/94/517410494.db2.gz WKCYWAOGBWFKQT-SJLPKXTDSA-N -1 3 354.410 2.597 20 30 FFEDHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000549245456 517474446 /nfs/dbraw/zinc/47/44/46/517474446.db2.gz CWLSRUVICAAHFE-LLVKDONJSA-N -1 3 350.387 2.749 20 30 FFEDHM N#CC1(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000546070466 517526863 /nfs/dbraw/zinc/52/68/63/517526863.db2.gz FHOAOXQRPHNMIC-UHFFFAOYSA-N -1 3 373.272 2.658 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(OC(F)(F)F)cc1 ZINC000527356582 517655785 /nfs/dbraw/zinc/65/57/85/517655785.db2.gz KCEQWRYZZSCTFH-ZDUSSCGKSA-N -1 3 361.283 2.851 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(OC(F)(F)F)cc1 ZINC000527356582 517655791 /nfs/dbraw/zinc/65/57/91/517655791.db2.gz KCEQWRYZZSCTFH-ZDUSSCGKSA-N -1 3 361.283 2.851 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(OC(F)(F)F)cc1 ZINC000527356582 517655796 /nfs/dbraw/zinc/65/57/96/517655796.db2.gz KCEQWRYZZSCTFH-ZDUSSCGKSA-N -1 3 361.283 2.851 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCN(c3ccccc3)CC2)c(F)c1 ZINC000530374176 517736308 /nfs/dbraw/zinc/73/63/08/517736308.db2.gz DRQVANPCLOMOEJ-UHFFFAOYSA-N -1 3 373.453 2.892 20 30 FFEDHM Cc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 ZINC000538743743 517759890 /nfs/dbraw/zinc/75/98/90/517759890.db2.gz HIHSMJWVZMITBP-MRXNPFEDSA-N -1 3 367.430 2.726 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C#N)c(Cl)c2)ccc1F ZINC000557072281 517837338 /nfs/dbraw/zinc/83/73/38/517837338.db2.gz NKVVJMHQLPYPRG-UHFFFAOYSA-N -1 3 367.789 2.511 20 30 FFEDHM C=CCN(C1CC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000538969868 517869323 /nfs/dbraw/zinc/86/93/23/517869323.db2.gz NWYKPZZCUFVGDQ-UHFFFAOYSA-N -1 3 372.512 2.568 20 30 FFEDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCCC1 ZINC000530617758 517882717 /nfs/dbraw/zinc/88/27/17/517882717.db2.gz UGDLBAYFAIFENE-INIZCTEOSA-N -1 3 354.447 2.961 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553839165 517928021 /nfs/dbraw/zinc/92/80/21/517928021.db2.gz QRVGBZPEOBYHJR-UHFFFAOYSA-N -1 3 357.325 2.595 20 30 FFEDHM CC(C)(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000579076262 518506575 /nfs/dbraw/zinc/50/65/75/518506575.db2.gz FIIBBHONNWYGPE-UHFFFAOYSA-N -1 3 351.653 2.824 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000567434361 518519408 /nfs/dbraw/zinc/51/94/08/518519408.db2.gz UJCCMCROGFMLRC-OAHLLOKOSA-N -1 3 352.394 2.671 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ncccn1 ZINC000576311885 518529375 /nfs/dbraw/zinc/52/93/75/518529375.db2.gz PQQVVRQCKUTGCF-UHFFFAOYSA-N -1 3 370.356 2.581 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000588115803 518729459 /nfs/dbraw/zinc/72/94/59/518729459.db2.gz WEHPEYSVWJFAQV-ZDUSSCGKSA-N -1 3 374.340 2.836 20 30 FFEDHM C=C(C[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)c1ccccc1 ZINC000588138666 518734157 /nfs/dbraw/zinc/73/41/57/518734157.db2.gz MUMPLOSPSCCUAT-UHFFFAOYSA-N -1 3 367.448 2.535 20 30 FFEDHM COc1ccccc1-c1cc(=NC(=O)Cc2c(F)cccc2C#N)[nH][n-]1 ZINC000588328263 518777705 /nfs/dbraw/zinc/77/77/05/518777705.db2.gz PEABAINJUZKQLA-UHFFFAOYSA-N -1 3 350.353 2.699 20 30 FFEDHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000573783159 518832594 /nfs/dbraw/zinc/83/25/94/518832594.db2.gz NDQZCQPVJYWXIP-UHFFFAOYSA-N -1 3 350.440 2.940 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC#Cc1cccc(F)c1 ZINC000574102102 518987578 /nfs/dbraw/zinc/98/75/78/518987578.db2.gz AVTQJTHSCARARB-UHFFFAOYSA-N -1 3 351.381 2.515 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[n-]1 ZINC000577617732 519171344 /nfs/dbraw/zinc/17/13/44/519171344.db2.gz LYYRCAJQDREEPO-CYBMUJFWSA-N -1 3 366.450 2.600 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000574523586 519197800 /nfs/dbraw/zinc/19/78/00/519197800.db2.gz MCTMVSMOIOQXQM-BDAKNGLRSA-N -1 3 352.239 2.624 20 30 FFEDHM CC(C)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c([O-])c1 ZINC000590448873 519237569 /nfs/dbraw/zinc/23/75/69/519237569.db2.gz KADSTWPBKRRQCQ-UHFFFAOYSA-N -1 3 350.422 2.745 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000583533689 519296123 /nfs/dbraw/zinc/29/61/23/519296123.db2.gz GATJEMLAJOFXGB-GFCCVEGCSA-N -1 3 373.272 2.601 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1C#N ZINC000571966697 519367698 /nfs/dbraw/zinc/36/76/98/519367698.db2.gz AWFGZDGHAWAMGX-UHFFFAOYSA-N -1 3 366.361 2.666 20 30 FFEDHM COc1cccc2c1CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2 ZINC000590874810 519416477 /nfs/dbraw/zinc/41/64/77/519416477.db2.gz MPFYBKUIYMWAEE-UHFFFAOYSA-N -1 3 365.433 2.802 20 30 FFEDHM N#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000578200961 519471669 /nfs/dbraw/zinc/47/16/69/519471669.db2.gz QIJKBAAHQNFFSW-UHFFFAOYSA-N -1 3 373.409 2.755 20 30 FFEDHM C=CCC1(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCCCC1 ZINC000566601840 519570211 /nfs/dbraw/zinc/57/02/11/519570211.db2.gz OHAHQZMFZOQGHE-INIZCTEOSA-N -1 3 355.438 2.902 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@@H]12 ZINC000594482538 519990542 /nfs/dbraw/zinc/99/05/42/519990542.db2.gz BIWYCWGJGSKEHV-GJZGRUSLSA-N -1 3 353.875 2.507 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N=c1[n-]n(C)cc1Br ZINC000603046381 520046404 /nfs/dbraw/zinc/04/64/04/520046404.db2.gz ATOWMTKGVBBHSW-JTQLQIEISA-N -1 3 362.231 2.701 20 30 FFEDHM Cn1cc(Br)c(=NC(=O)NC2(c3ccc(C#N)cc3)CCC2)[n-]1 ZINC000603050346 520049347 /nfs/dbraw/zinc/04/93/47/520049347.db2.gz OTQZRNOJVNMLQK-UHFFFAOYSA-N -1 3 374.242 2.677 20 30 FFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594725284 520115255 /nfs/dbraw/zinc/11/52/55/520115255.db2.gz AMMFNPUDABKTIP-CYBMUJFWSA-N -1 3 361.236 2.700 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)Cn1cccn1 ZINC000594747632 520130402 /nfs/dbraw/zinc/13/04/02/520130402.db2.gz CYCWYMCNQXHCBH-NSHDSACASA-N -1 3 360.464 2.645 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1C[C@H](O)C1(C)C ZINC000594767127 520143668 /nfs/dbraw/zinc/14/36/68/520143668.db2.gz LTOQRFKULGBRCO-KBPBESRZSA-N -1 3 350.465 2.519 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000594819421 520172569 /nfs/dbraw/zinc/17/25/69/520172569.db2.gz QBGDAKBCVZTBTD-LBPRGKRZSA-N -1 3 356.410 2.736 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1(CO)CC=CC1 ZINC000592103282 520187495 /nfs/dbraw/zinc/18/74/95/520187495.db2.gz ZEIQJWZRGFACBF-INIZCTEOSA-N -1 3 368.886 2.843 20 30 FFEDHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000592112020 520190536 /nfs/dbraw/zinc/19/05/36/520190536.db2.gz KRMSKQFUNATYGS-KWQFWETISA-N -1 3 350.387 2.749 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1(F)F ZINC000594853543 520191176 /nfs/dbraw/zinc/19/11/76/520191176.db2.gz ZNJIUIUVHIZMDT-LLVKDONJSA-N -1 3 354.300 2.901 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC)CC#N ZINC000613013230 520269190 /nfs/dbraw/zinc/26/91/90/520269190.db2.gz NFZWFUWFWZQNTC-LLVKDONJSA-N -1 3 361.261 2.818 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000617036695 520296259 /nfs/dbraw/zinc/29/62/59/520296259.db2.gz DBANPKFFUYOJMF-MGPQQGTHSA-N -1 3 356.513 2.666 20 30 FFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592383141 520361061 /nfs/dbraw/zinc/36/10/61/520361061.db2.gz JEOXNCKECFVKNL-JTQLQIEISA-N -1 3 351.653 2.824 20 30 FFEDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000600668313 520385009 /nfs/dbraw/zinc/38/50/09/520385009.db2.gz NPOMOAQSDDLTAL-MRXNPFEDSA-N -1 3 354.447 2.529 20 30 FFEDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000595352979 520423947 /nfs/dbraw/zinc/42/39/47/520423947.db2.gz HCWXNSKBSYTMIQ-QZTJIDSGSA-N -1 3 362.426 2.734 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2Cl)CCC1 ZINC000595371913 520435558 /nfs/dbraw/zinc/43/55/58/520435558.db2.gz VVRJTBVAWQXOSL-LBPRGKRZSA-N -1 3 363.266 2.640 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3coc(S(C)(=O)=O)c3)sc2C1 ZINC000592998558 520675930 /nfs/dbraw/zinc/67/59/30/520675930.db2.gz BOYDNPWDMCQWFZ-SECBINFHSA-N -1 3 364.448 2.993 20 30 FFEDHM Cc1occc1C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000610657931 520783857 /nfs/dbraw/zinc/78/38/57/520783857.db2.gz CLHZUFITUQZIEP-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000601460394 520797698 /nfs/dbraw/zinc/79/76/98/520797698.db2.gz FSHVZPFRPXGWIR-GXTWGEPZSA-N -1 3 362.373 2.531 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1([C@H]2CCCCO2)CCC1 ZINC000601520631 520822960 /nfs/dbraw/zinc/82/29/60/520822960.db2.gz VNSBZDHILHNCAV-MRXNPFEDSA-N -1 3 352.431 2.715 20 30 FFEDHM COC(=O)c1[n-]c(=NC2CCN(Cc3cccc(C#N)c3)CC2)sc1C ZINC000593515645 521043696 /nfs/dbraw/zinc/04/36/96/521043696.db2.gz PIHDIXQUYFROSA-UHFFFAOYSA-N -1 3 370.478 2.608 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCCC1 ZINC000593525477 521048969 /nfs/dbraw/zinc/04/89/69/521048969.db2.gz RTRCNEQYKNKLLL-LBPRGKRZSA-N -1 3 367.521 2.797 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H](c1ccco1)N1CCCCC1 ZINC000593525247 521049092 /nfs/dbraw/zinc/04/90/92/521049092.db2.gz NMRLYXGWJNSLIV-CYBMUJFWSA-N -1 3 365.480 2.718 20 30 FFEDHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)(C)C ZINC000593560276 521076437 /nfs/dbraw/zinc/07/64/37/521076437.db2.gz RKVMCMYAUZXWOU-LLVKDONJSA-N -1 3 358.485 2.654 20 30 FFEDHM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593589575 521094095 /nfs/dbraw/zinc/09/40/95/521094095.db2.gz VKAIMBMEDKKWAP-UHFFFAOYSA-N -1 3 368.509 2.540 20 30 FFEDHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CCN1Cc1ccccc1 ZINC000593597672 521098807 /nfs/dbraw/zinc/09/88/07/521098807.db2.gz ZEGCOLRLHACFFJ-UKRRQHHQSA-N -1 3 361.492 2.561 20 30 FFEDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c(C)c1OC ZINC000593596349 521099571 /nfs/dbraw/zinc/09/95/71/521099571.db2.gz QESQABODEONGNG-NSHDSACASA-N -1 3 366.464 2.985 20 30 FFEDHM COC[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Cl)cc1 ZINC000593600226 521100760 /nfs/dbraw/zinc/10/07/60/521100760.db2.gz CJGKJGXPCJHPOL-LBPRGKRZSA-N -1 3 370.883 2.982 20 30 FFEDHM CC(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1[O-] ZINC000618950005 521319028 /nfs/dbraw/zinc/31/90/28/521319028.db2.gz BMHAASCCEFTRQE-UHFFFAOYSA-N -1 3 364.401 2.902 20 30 FFEDHM Cc1nc(C)c(CCC(=O)NC2(c3ccc(C#N)cc3)CCC2)c(=O)[n-]1 ZINC000594142333 521430837 /nfs/dbraw/zinc/43/08/37/521430837.db2.gz XFPLGKQBYJXLGM-UHFFFAOYSA-N -1 3 350.422 2.799 20 30 FFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cscc1Br ZINC000632301101 522012559 /nfs/dbraw/zinc/01/25/59/522012559.db2.gz MTPUFDVSZYNBAI-BXKDBHETSA-N -1 3 366.302 2.770 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000626473898 522216114 /nfs/dbraw/zinc/21/61/14/522216114.db2.gz LPVAMXPHLCOIET-LBPRGKRZSA-N -1 3 367.446 2.696 20 30 FFEDHM C=C(C)Cn1c(C(C)(C)C)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634371820 523378216 /nfs/dbraw/zinc/37/82/16/523378216.db2.gz ABKQONDPJJPZQJ-UHFFFAOYSA-N -1 3 357.506 2.780 20 30 FFEDHM C=CCn1c([N-]c2ccn(C)n2)nnc1C(=O)Nc1ccc(C)c(C)c1 ZINC000515712520 562020125 /nfs/dbraw/zinc/02/01/25/562020125.db2.gz HJOFHNHSIPCDGI-UHFFFAOYSA-N -1 3 351.414 2.810 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735443584 598866785 /nfs/dbraw/zinc/86/67/85/598866785.db2.gz XNMGBYPQKYUBNX-UHFFFAOYSA-N -1 3 360.370 2.502 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735443584 598866787 /nfs/dbraw/zinc/86/67/87/598866787.db2.gz XNMGBYPQKYUBNX-UHFFFAOYSA-N -1 3 360.370 2.502 20 30 FFEDHM C=CCOc1cccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735436130 598882349 /nfs/dbraw/zinc/88/23/49/598882349.db2.gz GHBVOGUAPISKEM-KRWDZBQOSA-N -1 3 365.393 2.758 20 30 FFEDHM C=CCOc1cccc(N[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735436130 598882350 /nfs/dbraw/zinc/88/23/50/598882350.db2.gz GHBVOGUAPISKEM-KRWDZBQOSA-N -1 3 365.393 2.758 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735432576 598901667 /nfs/dbraw/zinc/90/16/67/598901667.db2.gz QEPTXWUHFJSOLM-GFCCVEGCSA-N -1 3 366.450 2.712 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735432576 598901669 /nfs/dbraw/zinc/90/16/69/598901669.db2.gz QEPTXWUHFJSOLM-GFCCVEGCSA-N -1 3 366.450 2.712 20 30 FFEDHM N#Cc1cc(NC(=O)CCSc2ccccc2F)ccc1-c1nnn[n-]1 ZINC000737703430 598915829 /nfs/dbraw/zinc/91/58/29/598915829.db2.gz BREYXIZQIBSBDW-UHFFFAOYSA-N -1 3 368.397 2.998 20 30 FFEDHM N#Cc1cc(NC(=O)CCSc2ccccc2F)ccc1-c1nn[n-]n1 ZINC000737703430 598915830 /nfs/dbraw/zinc/91/58/30/598915830.db2.gz BREYXIZQIBSBDW-UHFFFAOYSA-N -1 3 368.397 2.998 20 30 FFEDHM Cc1nc2ccccc2cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737490305 598918142 /nfs/dbraw/zinc/91/81/42/598918142.db2.gz SMDUPLYQNBETMU-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1nc2ccccc2cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737490305 598918144 /nfs/dbraw/zinc/91/81/44/598918144.db2.gz SMDUPLYQNBETMU-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM CCOc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736644049 598919503 /nfs/dbraw/zinc/91/95/03/598919503.db2.gz QSWZAWIKMIZLOW-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM CCOc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736644049 598919504 /nfs/dbraw/zinc/91/95/04/598919504.db2.gz QSWZAWIKMIZLOW-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM Cc1ccc2c(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000737371663 598925742 /nfs/dbraw/zinc/92/57/42/598925742.db2.gz HTFMFEVGBBCQPT-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM Cc1ccc2c(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000737371663 598925744 /nfs/dbraw/zinc/92/57/44/598925744.db2.gz HTFMFEVGBBCQPT-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000736182266 598969852 /nfs/dbraw/zinc/96/98/52/598969852.db2.gz CSZFNDCFLZNEKL-BFUOFWGJSA-N -1 3 368.441 2.613 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000736182266 598969854 /nfs/dbraw/zinc/96/98/54/598969854.db2.gz CSZFNDCFLZNEKL-BFUOFWGJSA-N -1 3 368.441 2.613 20 30 FFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737712601 599064020 /nfs/dbraw/zinc/06/40/20/599064020.db2.gz RMHKSCIDSGVNRB-JZAWIKSFSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737712601 599064023 /nfs/dbraw/zinc/06/40/23/599064023.db2.gz RMHKSCIDSGVNRB-JZAWIKSFSA-N -1 3 369.384 2.805 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2sc(CC)cc2-c2nnn[n-]2)cc1 ZINC000735380238 599070162 /nfs/dbraw/zinc/07/01/62/599070162.db2.gz GQJAMEZSOVRVMX-UHFFFAOYSA-N -1 3 353.407 2.755 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2sc(CC)cc2-c2nn[n-]n2)cc1 ZINC000735380238 599070165 /nfs/dbraw/zinc/07/01/65/599070165.db2.gz GQJAMEZSOVRVMX-UHFFFAOYSA-N -1 3 353.407 2.755 20 30 FFEDHM C#CCOc1ccc(C(=O)N(CC=C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380226 599071891 /nfs/dbraw/zinc/07/18/91/599071891.db2.gz GDVWCGDKZHQNQG-UHFFFAOYSA-N -1 3 373.416 2.707 20 30 FFEDHM C#CCOc1ccc(C(=O)N(CC=C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735380226 599071894 /nfs/dbraw/zinc/07/18/94/599071894.db2.gz GDVWCGDKZHQNQG-UHFFFAOYSA-N -1 3 373.416 2.707 20 30 FFEDHM COCc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000821696116 599110376 /nfs/dbraw/zinc/11/03/76/599110376.db2.gz XDJVMEGOXBNGAS-HJWRWDBZSA-N -1 3 363.421 2.965 20 30 FFEDHM COCc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000821696116 599110378 /nfs/dbraw/zinc/11/03/78/599110378.db2.gz XDJVMEGOXBNGAS-HJWRWDBZSA-N -1 3 363.421 2.965 20 30 FFEDHM C[C@@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCc2ccccc21 ZINC000736204780 599193822 /nfs/dbraw/zinc/19/38/22/599193822.db2.gz VATDIXILBBOTLN-HXUWFJFHSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCc2ccccc21 ZINC000736204780 599193829 /nfs/dbraw/zinc/19/38/29/599193829.db2.gz VATDIXILBBOTLN-HXUWFJFHSA-N -1 3 358.405 2.971 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1-c1nnn[n-]1 ZINC000737706758 599197845 /nfs/dbraw/zinc/19/78/45/599197845.db2.gz YUZKKEGTGOIXIX-ZIAGYGMSSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1-c1nn[n-]n1 ZINC000737706758 599197848 /nfs/dbraw/zinc/19/78/48/599197848.db2.gz YUZKKEGTGOIXIX-ZIAGYGMSSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000737716405 599194803 /nfs/dbraw/zinc/19/48/03/599194803.db2.gz QNRDMGZQFDISPL-ZFWWWQNUSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000737716405 599194807 /nfs/dbraw/zinc/19/48/07/599194807.db2.gz QNRDMGZQFDISPL-ZFWWWQNUSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737718595 599194812 /nfs/dbraw/zinc/19/48/12/599194812.db2.gz KNXCEWPIVWKPQI-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737718595 599194813 /nfs/dbraw/zinc/19/48/13/599194813.db2.gz KNXCEWPIVWKPQI-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000737716384 599199042 /nfs/dbraw/zinc/19/90/42/599199042.db2.gz QFRFHFMKQHNXMW-TZMCWYRMSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000737716384 599199043 /nfs/dbraw/zinc/19/90/43/599199043.db2.gz QFRFHFMKQHNXMW-TZMCWYRMSA-N -1 3 366.331 2.759 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735505323 599199259 /nfs/dbraw/zinc/19/92/59/599199259.db2.gz QNQVIHYTRQZMFY-JTQLQIEISA-N -1 3 368.784 2.954 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)ccc1-c1nnn[n-]1 ZINC000737703590 599200629 /nfs/dbraw/zinc/20/06/29/599200629.db2.gz DCLMFEJTMZHFSP-OLZOCXBDSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)ccc1-c1nn[n-]n1 ZINC000737703590 599200630 /nfs/dbraw/zinc/20/06/30/599200630.db2.gz DCLMFEJTMZHFSP-OLZOCXBDSA-N -1 3 366.331 2.759 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735409376 599203207 /nfs/dbraw/zinc/20/32/07/599203207.db2.gz DNZVXBGGUWZAHY-GFCCVEGCSA-N -1 3 353.382 2.733 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735409376 599203210 /nfs/dbraw/zinc/20/32/10/599203210.db2.gz DNZVXBGGUWZAHY-GFCCVEGCSA-N -1 3 353.382 2.733 20 30 FFEDHM C#CCN(CC#CC)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735374410 599248343 /nfs/dbraw/zinc/24/83/43/599248343.db2.gz IKMDYGWALSTBNE-UHFFFAOYSA-N -1 3 370.416 2.709 20 30 FFEDHM C#CCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000819693243 599253923 /nfs/dbraw/zinc/25/39/23/599253923.db2.gz PICOWCNEWKBDMA-UHFFFAOYSA-N -1 3 363.381 2.589 20 30 FFEDHM C=CCOc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735437155 598379450 /nfs/dbraw/zinc/37/94/50/598379450.db2.gz YNXFLIUXDITQQP-ATVHPVEESA-N -1 3 373.372 2.776 20 30 FFEDHM C=CCOc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735437155 598379453 /nfs/dbraw/zinc/37/94/53/598379453.db2.gz YNXFLIUXDITQQP-ATVHPVEESA-N -1 3 373.372 2.776 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccnc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201686 598641074 /nfs/dbraw/zinc/64/10/74/598641074.db2.gz GZABOGYQKKYQFW-VOTSOKGWSA-N -1 3 354.801 2.867 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccnc2Cl)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201686 598641076 /nfs/dbraw/zinc/64/10/76/598641076.db2.gz GZABOGYQKKYQFW-VOTSOKGWSA-N -1 3 354.801 2.867 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@H]1CCCCO1 ZINC000735418125 598655698 /nfs/dbraw/zinc/65/56/98/598655698.db2.gz BFDJXTCGFWIJDM-QGZVFWFLSA-N -1 3 355.442 2.731 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@H]1CCCCO1 ZINC000735418125 598655701 /nfs/dbraw/zinc/65/57/01/598655701.db2.gz BFDJXTCGFWIJDM-QGZVFWFLSA-N -1 3 355.442 2.731 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391073 598659794 /nfs/dbraw/zinc/65/97/94/598659794.db2.gz KTDYXBLLBBUMSM-UHFFFAOYSA-N -1 3 363.446 2.993 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391073 598659795 /nfs/dbraw/zinc/65/97/95/598659795.db2.gz KTDYXBLLBBUMSM-UHFFFAOYSA-N -1 3 363.446 2.993 20 30 FFEDHM N#Cc1cn(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc(Cl)cc2c1=O ZINC000737728710 598721462 /nfs/dbraw/zinc/72/14/62/598721462.db2.gz UJBWNKPYENBFFP-UHFFFAOYSA-N -1 3 362.780 2.755 20 30 FFEDHM N#Cc1cn(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc(Cl)cc2c1=O ZINC000737728710 598721463 /nfs/dbraw/zinc/72/14/63/598721463.db2.gz UJBWNKPYENBFFP-UHFFFAOYSA-N -1 3 362.780 2.755 20 30 FFEDHM N#Cc1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737722922 598756014 /nfs/dbraw/zinc/75/60/14/598756014.db2.gz ZKJIUTPBYCMQSE-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM CC(=NNc1ccc(Br)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451196 598761275 /nfs/dbraw/zinc/76/12/75/598761275.db2.gz SOZLZDQOFVKMFS-UHFFFAOYSA-N -1 3 358.203 2.860 20 30 FFEDHM CC(=NNc1ccc(Br)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451196 598761276 /nfs/dbraw/zinc/76/12/76/598761276.db2.gz SOZLZDQOFVKMFS-UHFFFAOYSA-N -1 3 358.203 2.860 20 30 FFEDHM N#Cc1cc(Cl)ccc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737703372 598796765 /nfs/dbraw/zinc/79/67/65/598796765.db2.gz BJUDITYKGAWYLI-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM N#Cc1cc(Cl)ccc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737703372 598796766 /nfs/dbraw/zinc/79/67/66/598796766.db2.gz BJUDITYKGAWYLI-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM Cc1cc(C#N)cc(C)c1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822161599 599386887 /nfs/dbraw/zinc/38/68/87/599386887.db2.gz QSWLCSKMGWZKLL-UHFFFAOYSA-N -1 3 373.376 2.984 20 30 FFEDHM Cc1cc(C#N)cc(C)c1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822161599 599386890 /nfs/dbraw/zinc/38/68/90/599386890.db2.gz QSWLCSKMGWZKLL-UHFFFAOYSA-N -1 3 373.376 2.984 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(F)c1 ZINC000737068057 599459963 /nfs/dbraw/zinc/45/99/63/599459963.db2.gz ZDGRQSLUMVVUNK-ZZXKWVIFSA-N -1 3 364.340 2.558 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(F)c1 ZINC000737068057 599459967 /nfs/dbraw/zinc/45/99/67/599459967.db2.gz ZDGRQSLUMVVUNK-ZZXKWVIFSA-N -1 3 364.340 2.558 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000819709282 599632600 /nfs/dbraw/zinc/63/26/00/599632600.db2.gz ARVAWCWTNDWNQL-UHFFFAOYSA-N -1 3 358.283 2.514 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000819709282 599632601 /nfs/dbraw/zinc/63/26/01/599632601.db2.gz ARVAWCWTNDWNQL-UHFFFAOYSA-N -1 3 358.283 2.514 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000826252405 607413309 /nfs/dbraw/zinc/41/33/09/607413309.db2.gz BWXBNIVKEGCBNA-CYBMUJFWSA-N -1 3 363.377 2.558 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000826252405 607413311 /nfs/dbraw/zinc/41/33/11/607413311.db2.gz BWXBNIVKEGCBNA-CYBMUJFWSA-N -1 3 363.377 2.558 20 30 FFEDHM CCOc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OCC(=O)[O-] ZINC000737179507 600056039 /nfs/dbraw/zinc/05/60/39/600056039.db2.gz MKLYVTHQZCOYSX-GFCCVEGCSA-N -1 3 360.391 2.804 20 30 FFEDHM C=CC1CCN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000736096371 600327472 /nfs/dbraw/zinc/32/74/72/600327472.db2.gz MHCKXJZPDJYKLA-GOSISDBHSA-N -1 3 355.438 2.619 20 30 FFEDHM CN(C(=O)[O-])[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000739584615 601972822 /nfs/dbraw/zinc/97/28/22/601972822.db2.gz LNOQVSSATBCBQS-CQSZACIVSA-N -1 3 364.833 2.614 20 30 FFEDHM CCN(CC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)C(=O)[O-] ZINC000739384894 602865990 /nfs/dbraw/zinc/86/59/90/602865990.db2.gz LTNCXMQSSCBEGL-CYBMUJFWSA-N -1 3 354.391 2.858 20 30 FFEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000833412785 605180084 /nfs/dbraw/zinc/18/00/84/605180084.db2.gz LLEGVGQHIYAHTM-GOSISDBHSA-N -1 3 351.406 2.938 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1ccc(C)o1 ZINC000819743447 606102666 /nfs/dbraw/zinc/10/26/66/606102666.db2.gz JTHNDWSASSGWCE-UHFFFAOYSA-N -1 3 351.410 2.916 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1ccc(C)o1 ZINC000819743447 606102670 /nfs/dbraw/zinc/10/26/70/606102670.db2.gz JTHNDWSASSGWCE-UHFFFAOYSA-N -1 3 351.410 2.916 20 30 FFEDHM C#CC[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819688422 606180922 /nfs/dbraw/zinc/18/09/22/606180922.db2.gz IWUQKEGDPAHIOF-QGZVFWFLSA-N -1 3 354.410 2.761 20 30 FFEDHM C#CC[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819688422 606180923 /nfs/dbraw/zinc/18/09/23/606180923.db2.gz IWUQKEGDPAHIOF-QGZVFWFLSA-N -1 3 354.410 2.761 20 30 FFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000822623435 606223568 /nfs/dbraw/zinc/22/35/68/606223568.db2.gz XBCLXDBIHVNHMB-UHFFFAOYSA-N -1 3 373.376 2.517 20 30 FFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000822623435 606223570 /nfs/dbraw/zinc/22/35/70/606223570.db2.gz XBCLXDBIHVNHMB-UHFFFAOYSA-N -1 3 373.376 2.517 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000820530213 606344735 /nfs/dbraw/zinc/34/47/35/606344735.db2.gz XYDMUILZABJQCX-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530322 606391792 /nfs/dbraw/zinc/39/17/92/606391792.db2.gz JDXNLDURBOIFTE-ZZXKWVIFSA-N -1 3 351.391 2.709 20 30 FFEDHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1C#N ZINC000821569268 606412363 /nfs/dbraw/zinc/41/23/63/606412363.db2.gz DDQZUKNFWQJWSY-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1C#N ZINC000821569268 606412364 /nfs/dbraw/zinc/41/23/64/606412364.db2.gz DDQZUKNFWQJWSY-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM N#Cc1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)cc1 ZINC000822826465 606491218 /nfs/dbraw/zinc/49/12/18/606491218.db2.gz ZTUIIRGNYNYATD-UHFFFAOYSA-N -1 3 350.407 2.605 20 30 FFEDHM N#Cc1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)cc1 ZINC000822826465 606491219 /nfs/dbraw/zinc/49/12/19/606491219.db2.gz ZTUIIRGNYNYATD-UHFFFAOYSA-N -1 3 350.407 2.605 20 30 FFEDHM COc1cccc([C@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000821860213 606604397 /nfs/dbraw/zinc/60/43/97/606604397.db2.gz YOALAVLRNRAVHY-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1cccc([C@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000821860213 606604399 /nfs/dbraw/zinc/60/43/99/606604399.db2.gz YOALAVLRNRAVHY-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM C=CCOc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000819758937 606672389 /nfs/dbraw/zinc/67/23/89/606672389.db2.gz JTZISXHDEFTSLR-UHFFFAOYSA-N -1 3 357.320 2.962 20 30 FFEDHM C=CCOc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000819758937 606672390 /nfs/dbraw/zinc/67/23/90/606672390.db2.gz JTZISXHDEFTSLR-UHFFFAOYSA-N -1 3 357.320 2.962 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822811366 606746548 /nfs/dbraw/zinc/74/65/48/606746548.db2.gz XZXMTBMMRWIBEW-VMPITWQZSA-N -1 3 364.340 2.560 20 30 FFEDHM N#CCOc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822811366 606746549 /nfs/dbraw/zinc/74/65/49/606746549.db2.gz XZXMTBMMRWIBEW-VMPITWQZSA-N -1 3 364.340 2.560 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NC[C@H](C)C#N)cc1 ZINC000822146319 606793835 /nfs/dbraw/zinc/79/38/35/606793835.db2.gz XRIXSHBDZCRAHJ-GFCCVEGCSA-N -1 3 362.393 2.857 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC[C@H](C)C#N)cc1 ZINC000822146319 606793837 /nfs/dbraw/zinc/79/38/37/606793837.db2.gz XRIXSHBDZCRAHJ-GFCCVEGCSA-N -1 3 362.393 2.857 20 30 FFEDHM C#CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819697815 606831186 /nfs/dbraw/zinc/83/11/86/606831186.db2.gz LLJPSKSTWCUSBA-UHFFFAOYSA-N -1 3 367.453 2.820 20 30 FFEDHM C#CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819697815 606831187 /nfs/dbraw/zinc/83/11/87/606831187.db2.gz LLJPSKSTWCUSBA-UHFFFAOYSA-N -1 3 367.453 2.820 20 30 FFEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000819729687 606831969 /nfs/dbraw/zinc/83/19/69/606831969.db2.gz KQSVREXKWDHBDE-NSHDSACASA-N -1 3 351.370 2.750 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NCCCOc1cccc(C#N)c1 ZINC000821766646 606863561 /nfs/dbraw/zinc/86/35/61/606863561.db2.gz ZWFFCAQBZGFGJF-UHFFFAOYSA-N -1 3 350.382 2.628 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NCCCOc1cccc(C#N)c1 ZINC000821766646 606863563 /nfs/dbraw/zinc/86/35/63/606863563.db2.gz ZWFFCAQBZGFGJF-UHFFFAOYSA-N -1 3 350.382 2.628 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000822216413 607017436 /nfs/dbraw/zinc/01/74/36/607017436.db2.gz OEXYZTCRRQMWQK-UHFFFAOYSA-N -1 3 362.393 2.843 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000822216413 607017437 /nfs/dbraw/zinc/01/74/37/607017437.db2.gz OEXYZTCRRQMWQK-UHFFFAOYSA-N -1 3 362.393 2.843 20 30 FFEDHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl)C1(C#N)CCCCC1 ZINC000821571005 607123606 /nfs/dbraw/zinc/12/36/06/607123606.db2.gz VMDKHROKFSOPSM-UHFFFAOYSA-N -1 3 373.848 2.617 20 30 FFEDHM c1[nH]c2ccc(-c3nn[n-]n3)cc2c1CN=Nc1cnnc2ccccc12 ZINC000819718763 607147897 /nfs/dbraw/zinc/14/78/97/607147897.db2.gz PBIWXEXDTHZIEL-UHFFFAOYSA-N -1 3 355.365 2.737 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000822832925 607171756 /nfs/dbraw/zinc/17/17/56/607171756.db2.gz ISZQABHUBKBXRN-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000822832925 607171757 /nfs/dbraw/zinc/17/17/57/607171757.db2.gz ISZQABHUBKBXRN-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000823909374 607836966 /nfs/dbraw/zinc/83/69/66/607836966.db2.gz ATWAHFRZPOXJDD-INIZCTEOSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000823909374 607836967 /nfs/dbraw/zinc/83/69/67/607836967.db2.gz ATWAHFRZPOXJDD-INIZCTEOSA-N -1 3 370.457 2.522 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)ccc21 ZINC000826010860 607842892 /nfs/dbraw/zinc/84/28/92/607842892.db2.gz PZDOAPXPEPHMAY-XQRVVYSFSA-N -1 3 365.418 2.733 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)ccc21 ZINC000826010860 607842893 /nfs/dbraw/zinc/84/28/93/607842893.db2.gz PZDOAPXPEPHMAY-XQRVVYSFSA-N -1 3 365.418 2.733 20 30 FFEDHM N#Cc1c(F)cccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826383212 607866593 /nfs/dbraw/zinc/86/65/93/607866593.db2.gz PESYTPLBORWBHC-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1c(F)cccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826383212 607866594 /nfs/dbraw/zinc/86/65/94/607866594.db2.gz PESYTPLBORWBHC-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccn1Cc1cccs1 ZINC000823861659 607889771 /nfs/dbraw/zinc/88/97/71/607889771.db2.gz PAJJAUYZVFKHLG-UHFFFAOYSA-N -1 3 363.450 2.902 20 30 FFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccn1Cc1cccs1 ZINC000823861659 607889772 /nfs/dbraw/zinc/88/97/72/607889772.db2.gz PAJJAUYZVFKHLG-UHFFFAOYSA-N -1 3 363.450 2.902 20 30 FFEDHM C#CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837840 607956049 /nfs/dbraw/zinc/95/60/49/607956049.db2.gz HBFKTRWONMTNTO-RDTXWAMCSA-N -1 3 361.405 2.515 20 30 FFEDHM N#CCc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000826382310 607969970 /nfs/dbraw/zinc/96/99/70/607969970.db2.gz XVSOHQSPLPUMED-UHFFFAOYSA-N -1 3 358.405 2.738 20 30 FFEDHM N#CCc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000826382310 607969971 /nfs/dbraw/zinc/96/99/71/607969971.db2.gz XVSOHQSPLPUMED-UHFFFAOYSA-N -1 3 358.405 2.738 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2cccc(F)c2Cl)nc1N ZINC000826383493 608219418 /nfs/dbraw/zinc/21/94/18/608219418.db2.gz DDLDAFGDTARTNH-UHFFFAOYSA-N -1 3 361.793 2.800 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2cccc(F)c2Cl)nc1N ZINC000826383493 608219419 /nfs/dbraw/zinc/21/94/19/608219419.db2.gz DDLDAFGDTARTNH-UHFFFAOYSA-N -1 3 361.793 2.800 20 30 FFEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(C#N)c1F ZINC000826158755 608389324 /nfs/dbraw/zinc/38/93/24/608389324.db2.gz BDAIRSYHOIARPP-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(C#N)c1F ZINC000826158755 608389326 /nfs/dbraw/zinc/38/93/26/608389326.db2.gz BDAIRSYHOIARPP-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM N#Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385056 608485362 /nfs/dbraw/zinc/48/53/62/608485362.db2.gz VFGQCNQDKJBBPG-UHFFFAOYSA-N -1 3 370.416 2.597 20 30 FFEDHM N#Cc1ccc(CC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385056 608485364 /nfs/dbraw/zinc/48/53/64/608485364.db2.gz VFGQCNQDKJBBPG-UHFFFAOYSA-N -1 3 370.416 2.597 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@@H]2CCOc3ccccc32)n1 ZINC000826350097 608536185 /nfs/dbraw/zinc/53/61/85/608536185.db2.gz IJTIJAFERVABTR-JTQLQIEISA-N -1 3 355.789 2.879 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@@H]2CCOc3ccccc32)n1 ZINC000826350097 608536186 /nfs/dbraw/zinc/53/61/86/608536186.db2.gz IJTIJAFERVABTR-JTQLQIEISA-N -1 3 355.789 2.879 20 30 FFEDHM FC(F)Oc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826369897 608537980 /nfs/dbraw/zinc/53/79/80/608537980.db2.gz VDHGQLVFNOVTCZ-UHFFFAOYSA-N -1 3 365.731 2.963 20 30 FFEDHM FC(F)Oc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826369897 608537981 /nfs/dbraw/zinc/53/79/81/608537981.db2.gz VDHGQLVFNOVTCZ-UHFFFAOYSA-N -1 3 365.731 2.963 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823931990 608538845 /nfs/dbraw/zinc/53/88/45/608538845.db2.gz JYYXXLIWIKQKPT-UHFFFAOYSA-N -1 3 356.773 2.732 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823931990 608538846 /nfs/dbraw/zinc/53/88/46/608538846.db2.gz JYYXXLIWIKQKPT-UHFFFAOYSA-N -1 3 356.773 2.732 20 30 FFEDHM N#CCN(Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000826382078 608630723 /nfs/dbraw/zinc/63/07/23/608630723.db2.gz NJMFFJKZSUZTMB-UHFFFAOYSA-N -1 3 360.421 2.934 20 30 FFEDHM N#CCN(Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000826382078 608630724 /nfs/dbraw/zinc/63/07/24/608630724.db2.gz NJMFFJKZSUZTMB-UHFFFAOYSA-N -1 3 360.421 2.934 20 30 FFEDHM CC(N=Nc1ncnc2sccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963249 609158071 /nfs/dbraw/zinc/15/80/71/609158071.db2.gz ZKMLIULGMKRVLB-UHFFFAOYSA-N -1 3 354.374 2.847 20 30 FFEDHM CC(N=Nc1ncnc2sccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963249 609158073 /nfs/dbraw/zinc/15/80/73/609158073.db2.gz ZKMLIULGMKRVLB-UHFFFAOYSA-N -1 3 354.374 2.847 20 30 FFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccccc2CC#N)s1 ZINC000825694690 609176280 /nfs/dbraw/zinc/17/62/80/609176280.db2.gz ZSAJSCYYQSRVKC-UHFFFAOYSA-N -1 3 352.423 2.738 20 30 FFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccccc2CC#N)s1 ZINC000825694690 609176281 /nfs/dbraw/zinc/17/62/81/609176281.db2.gz ZSAJSCYYQSRVKC-UHFFFAOYSA-N -1 3 352.423 2.738 20 30 FFEDHM CN(C(=O)Cc1ccccc1CC#N)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825820468 609233917 /nfs/dbraw/zinc/23/39/17/609233917.db2.gz GZBWBQWXEVNMNR-UHFFFAOYSA-N -1 3 366.812 2.792 20 30 FFEDHM CN(C(=O)Cc1ccccc1CC#N)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825820468 609233919 /nfs/dbraw/zinc/23/39/19/609233919.db2.gz GZBWBQWXEVNMNR-UHFFFAOYSA-N -1 3 366.812 2.792 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826383256 609279423 /nfs/dbraw/zinc/27/94/23/609279423.db2.gz RLIMHODZAWYTIW-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826383256 609279425 /nfs/dbraw/zinc/27/94/25/609279425.db2.gz RLIMHODZAWYTIW-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM Cn1cc(C=CC(=O)c2cccnc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359335 609308095 /nfs/dbraw/zinc/30/80/95/609308095.db2.gz CWVZQEMCVZVIEE-CMDGGOBGSA-N -1 3 357.377 2.558 20 30 FFEDHM Cn1cc(C=CC(=O)c2cccnc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359335 609308097 /nfs/dbraw/zinc/30/80/97/609308097.db2.gz CWVZQEMCVZVIEE-CMDGGOBGSA-N -1 3 357.377 2.558 20 30 FFEDHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCO1 ZINC000824216187 609386721 /nfs/dbraw/zinc/38/67/21/609386721.db2.gz OUCYCIOYEBXOTF-MLGOLLRUSA-N -1 3 354.414 2.518 20 30 FFEDHM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCO1 ZINC000824216187 609386722 /nfs/dbraw/zinc/38/67/22/609386722.db2.gz OUCYCIOYEBXOTF-MLGOLLRUSA-N -1 3 354.414 2.518 20 30 FFEDHM N#Cc1cc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c[nH]1 ZINC000826383660 609438749 /nfs/dbraw/zinc/43/87/49/609438749.db2.gz KSHKHWXJZSSIIZ-UHFFFAOYSA-N -1 3 372.348 2.506 20 30 FFEDHM Cc1nc2sccn2c1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826329511 609471972 /nfs/dbraw/zinc/47/19/72/609471972.db2.gz GPSZXGSHNCGILE-UHFFFAOYSA-N -1 3 358.818 2.984 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824033833 609507582 /nfs/dbraw/zinc/50/75/82/609507582.db2.gz CEEGFIFRVVMTCC-LLVKDONJSA-N -1 3 365.422 2.966 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824033833 609507583 /nfs/dbraw/zinc/50/75/83/609507583.db2.gz CEEGFIFRVVMTCC-LLVKDONJSA-N -1 3 365.422 2.966 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824034584 609511436 /nfs/dbraw/zinc/51/14/36/609511436.db2.gz LVTUABUYGNTHES-CYBMUJFWSA-N -1 3 350.382 2.648 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824034584 609511439 /nfs/dbraw/zinc/51/14/39/609511439.db2.gz LVTUABUYGNTHES-CYBMUJFWSA-N -1 3 350.382 2.648 20 30 FFEDHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)CCO1 ZINC000135325904 728737643 /nfs/dbraw/zinc/73/76/43/728737643.db2.gz UCMLQWARDJMBQB-AWEZNQCLSA-N -1 3 357.435 2.584 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)C[C@H](C)CC)ccc1F ZINC000177989421 729151474 /nfs/dbraw/zinc/15/14/74/729151474.db2.gz BYBMFJCBARMNFZ-CYBMUJFWSA-N -1 3 356.463 2.798 20 30 FFEDHM C=CC[C@H](C)OC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000860906623 730558196 /nfs/dbraw/zinc/55/81/96/730558196.db2.gz NMEQXJFMPZYDRL-ZFWWWQNUSA-N -1 3 364.467 2.648 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2cc(Br)ccc2s1 ZINC000861827733 730644646 /nfs/dbraw/zinc/64/46/46/730644646.db2.gz LSLOSHXVGUJOLH-SNVBAGLBSA-N -1 3 369.240 2.774 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)cn1 ZINC000862421492 730700461 /nfs/dbraw/zinc/70/04/61/730700461.db2.gz WAVYHYLBWHJTPO-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM Cc1cc(Br)c([O-])c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000781596325 738639648 /nfs/dbraw/zinc/63/96/48/738639648.db2.gz DGRRSHVUOAOKCQ-CHWSQXEVSA-N -1 3 351.248 2.657 20 30 FFEDHM O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000879943118 732807361 /nfs/dbraw/zinc/80/73/61/732807361.db2.gz UYWSJGCUUPHFHD-SECBINFHSA-N -1 3 367.711 2.740 20 30 FFEDHM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)cc21 ZINC000886397468 733782439 /nfs/dbraw/zinc/78/24/39/733782439.db2.gz JZBZLGQHPWUSAX-UHFFFAOYSA-N -1 3 357.435 2.772 20 30 FFEDHM O=C([N-]CC#C[C@H]1CCCCO1)C(F)(F)c1ncccc1Br ZINC000891109670 734380145 /nfs/dbraw/zinc/38/01/45/734380145.db2.gz KIVGNIMBAVOMII-LLVKDONJSA-N -1 3 373.197 2.625 20 30 FFEDHM C=CC[S@@](=O)(=NC([O-])=CS(=O)(=O)C1CCCC1)c1ccccc1 ZINC000891377259 734421659 /nfs/dbraw/zinc/42/16/59/734421659.db2.gz UWUYPEDECPWSJC-QFIPXVFZSA-N -1 3 355.481 2.584 20 30 FFEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2csnn2)cc1 ZINC000727062006 734462230 /nfs/dbraw/zinc/46/22/30/734462230.db2.gz QVUNYDLQGBQJSE-UHFFFAOYSA-N -1 3 359.436 2.785 20 30 FFEDHM COc1ccc(OC(F)F)c(C=N[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000732924646 734776545 /nfs/dbraw/zinc/77/65/45/734776545.db2.gz BNTKEKRKTWZLOL-UHFFFAOYSA-N -1 3 370.377 2.750 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2C)ccc1F ZINC000733943717 734861787 /nfs/dbraw/zinc/86/17/87/734861787.db2.gz VCCZVAMHBBZEFI-ZDUSSCGKSA-N -1 3 354.447 2.695 20 30 FFEDHM C=CCCCOC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000735523357 734949809 /nfs/dbraw/zinc/94/98/09/734949809.db2.gz KQWPSCBEYJKRNJ-OAHLLOKOSA-N -1 3 364.467 2.649 20 30 FFEDHM O=C1[C@H](NCc2csc(COc3ccc(Cl)cc3)n2)CCCN1[O-] ZINC000895167138 734970555 /nfs/dbraw/zinc/97/05/55/734970555.db2.gz UUISXGKTTWXSFJ-CQSZACIVSA-N -1 3 367.858 2.845 20 30 FFEDHM Cc1cc(Br)c(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c(C#N)c1 ZINC000897345790 735222720 /nfs/dbraw/zinc/22/27/20/735222720.db2.gz PAHUNWTYOKXWDG-GFCCVEGCSA-N -1 3 374.242 2.816 20 30 FFEDHM N#Cc1c(Br)cccc1N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000897347226 735223171 /nfs/dbraw/zinc/22/31/71/735223171.db2.gz IPUBYROFTSLUEO-SNVBAGLBSA-N -1 3 360.215 2.507 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1C1CC1)C1CCOCC1 ZINC000901965305 735880709 /nfs/dbraw/zinc/88/07/09/735880709.db2.gz AVYXNEUQOPISAH-SFHVURJKSA-N -1 3 364.467 2.619 20 30 FFEDHM O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N([O-])Cc1ccccc1Cl ZINC000904187075 736231351 /nfs/dbraw/zinc/23/13/51/736231351.db2.gz DVXORJQSMNIZAA-AWEZNQCLSA-N -1 3 359.813 2.502 20 30 FFEDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000906914218 736559298 /nfs/dbraw/zinc/55/92/98/736559298.db2.gz WUOWNYOOMROISI-LLVKDONJSA-N -1 3 360.464 2.854 20 30 FFEDHM COc1cc(C)nc(N=NCc2ccc(OC)c([O-])c2Br)n1 ZINC000761014512 736688122 /nfs/dbraw/zinc/68/81/22/736688122.db2.gz ZTJKLNHNHYFRDV-UHFFFAOYSA-N -1 3 367.203 2.716 20 30 FFEDHM CCOC(=O)[C@@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@@H](C)C1 ZINC000761267248 736715848 /nfs/dbraw/zinc/71/58/48/736715848.db2.gz QDIFUIXQXOXFRI-GOEBONIOSA-N -1 3 366.483 2.504 20 30 FFEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)nc1 ZINC000761804810 736762342 /nfs/dbraw/zinc/76/23/42/736762342.db2.gz HLUJBUHBEZFWBH-HNNXBMFYSA-N -1 3 353.407 2.665 20 30 FFEDHM C=CCN1CCC(NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)CC1 ZINC000908945572 736862048 /nfs/dbraw/zinc/86/20/48/736862048.db2.gz JHXSYITVJVVFAP-UHFFFAOYSA-N -1 3 365.861 2.587 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C1CC1 ZINC000764587312 737032558 /nfs/dbraw/zinc/03/25/58/737032558.db2.gz GBITWJUARPYMFC-DOMZBBRYSA-N -1 3 364.467 2.626 20 30 FFEDHM CC#CCCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000765418157 737117082 /nfs/dbraw/zinc/11/70/82/737117082.db2.gz CWKCGBSGRSITPY-UHFFFAOYSA-N -1 3 364.250 2.618 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC(C)(C)C2)ccc1F ZINC000768526620 737429498 /nfs/dbraw/zinc/42/94/98/737429498.db2.gz GDAOQZIRFMVEMR-CYBMUJFWSA-N -1 3 354.447 2.599 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]CCn1ccc(C(F)(F)F)n1 ZINC000913798814 737449218 /nfs/dbraw/zinc/44/92/18/737449218.db2.gz RPMKPPAIQBIWEL-UHFFFAOYSA-N -1 3 358.270 2.682 20 30 FFEDHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(C#N)cc2C)c1C ZINC000769406754 737525185 /nfs/dbraw/zinc/52/51/85/737525185.db2.gz DDLMHKBQQLBPPX-UHFFFAOYSA-N -1 3 362.407 2.756 20 30 FFEDHM C#C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000769656076 737551006 /nfs/dbraw/zinc/55/10/06/737551006.db2.gz SWRHPJMGBXRHKU-CYBMUJFWSA-N -1 3 360.410 2.720 20 30 FFEDHM Cc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)ccc1Br ZINC000769819881 737570500 /nfs/dbraw/zinc/57/05/00/737570500.db2.gz YSFIBRHZBVKZAX-UHFFFAOYSA-N -1 3 361.203 2.586 20 30 FFEDHM CC(C)=CCOC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000916615974 737716030 /nfs/dbraw/zinc/71/60/30/737716030.db2.gz OBYZYEQZEUOUKL-OAHLLOKOSA-N -1 3 364.467 2.649 20 30 FFEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c(C)[nH]1 ZINC000917570007 737766200 /nfs/dbraw/zinc/76/62/00/737766200.db2.gz CTMZSCUKHQRJLZ-OAHLLOKOSA-N -1 3 355.423 2.906 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCOc2c(F)cc(F)cc21 ZINC000920384009 737904320 /nfs/dbraw/zinc/90/43/20/737904320.db2.gz MLKLSTXGAWPNEU-UHFFFAOYSA-N -1 3 352.362 2.571 20 30 FFEDHM C=CCS(=O)(=O)[N-]C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000784899944 738924363 /nfs/dbraw/zinc/92/43/63/738924363.db2.gz GGBWCYSAWFQGML-UHFFFAOYSA-N -1 3 358.463 2.564 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC(C)(C)C2)ccc1F ZINC000785633758 738984474 /nfs/dbraw/zinc/98/44/74/738984474.db2.gz HJOUYPYEHBKGDR-AWEZNQCLSA-N -1 3 368.474 2.989 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1F ZINC000789689196 739380864 /nfs/dbraw/zinc/38/08/64/739380864.db2.gz SBTXEIANBURGQO-MCIONIFRSA-N -1 3 368.474 2.797 20 30 FFEDHM Cc1nc(C#N)c(N=NCc2c(Br)n[n-]c2Br)o1 ZINC000792986537 739726773 /nfs/dbraw/zinc/72/67/73/739726773.db2.gz ORFQHCDFCULCFS-UHFFFAOYSA-N -1 3 373.996 2.549 20 30 FFEDHM COc1c(C)cc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1Cl ZINC000794912379 739941640 /nfs/dbraw/zinc/94/16/40/739941640.db2.gz DMXHRBMMEDCQRI-UHFFFAOYSA-N -1 3 360.805 2.875 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000797827134 740277051 /nfs/dbraw/zinc/27/70/51/740277051.db2.gz VXBSTOTVGKPROG-LBPRGKRZSA-N -1 3 357.781 2.585 20 30 FFEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCC1CCCCCC1 ZINC000798875273 740369958 /nfs/dbraw/zinc/36/99/58/740369958.db2.gz GBLRKXCGUGBNOT-UHFFFAOYSA-N -1 3 364.467 2.629 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000805146345 740945887 /nfs/dbraw/zinc/94/58/87/740945887.db2.gz CDXPKRJXYVOMPK-LBPRGKRZSA-N -1 3 364.345 2.940 20 30 FFEDHM CC(C)CCOC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000807368251 741130709 /nfs/dbraw/zinc/13/07/09/741130709.db2.gz DRTCIEPULJUWAO-OAHLLOKOSA-N -1 3 366.483 2.729 20 30 FFEDHM COc1ccc2c(c1F)CCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000807974632 741175267 /nfs/dbraw/zinc/17/52/67/741175267.db2.gz NNXNANBWTZSPRD-UHFFFAOYSA-N -1 3 362.426 2.647 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(Cl)cc1 ZINC000810099649 741385720 /nfs/dbraw/zinc/38/57/20/741385720.db2.gz MHUITPAXMVPMQR-LBPRGKRZSA-N -1 3 369.851 2.841 20 30 FFEDHM C=CCCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000813672438 741746860 /nfs/dbraw/zinc/74/68/60/741746860.db2.gz HHXKELDMIQLNHW-INIZCTEOSA-N -1 3 372.918 2.896 20 30 FFEDHM COCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccc(Cl)c1 ZINC000814859498 741870308 /nfs/dbraw/zinc/87/03/08/741870308.db2.gz WSYYJOFSVBHYRH-UHFFFAOYSA-N -1 3 366.870 2.853 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000816569848 742043233 /nfs/dbraw/zinc/04/32/33/742043233.db2.gz YEZZWIWOTVWORO-ZWNOBZJWSA-N -1 3 353.369 2.519 20 30 FFEDHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816756913 742059041 /nfs/dbraw/zinc/05/90/41/742059041.db2.gz HVTORWLBUWSPLL-LLVKDONJSA-N -1 3 367.764 2.553 20 30 FFEDHM CCOc1cc(/C=C/C(=O)c2cc(CO)on2)cc(Br)c1[O-] ZINC000821012722 742577316 /nfs/dbraw/zinc/57/73/16/742577316.db2.gz NIIXRKZGNGRGAZ-ONEGZZNKSA-N -1 3 368.183 2.930 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825399396 743263367 /nfs/dbraw/zinc/26/33/67/743263367.db2.gz SASHVGHRKMSLAF-JTQLQIEISA-N -1 3 364.862 2.620 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825399396 743263373 /nfs/dbraw/zinc/26/33/73/743263373.db2.gz SASHVGHRKMSLAF-JTQLQIEISA-N -1 3 364.862 2.620 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CC(C)(C)C)ccc1F ZINC000837228508 746397305 /nfs/dbraw/zinc/39/73/05/746397305.db2.gz IYBFQUQGXYZRDX-GFCCVEGCSA-N -1 3 356.463 2.845 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CCC2(C)C)ccc1F ZINC000839434283 746827832 /nfs/dbraw/zinc/82/78/32/746827832.db2.gz AWXUMGXNPGCXTK-GFCCVEGCSA-N -1 3 354.447 2.693 20 30 FFEDHM C=C(C)CC[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000845864053 748339390 /nfs/dbraw/zinc/33/93/90/748339390.db2.gz KTTKALRKSVDIDT-KGLIPLIRSA-N -1 3 364.467 2.792 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CCOCC1 ZINC000851829915 749692614 /nfs/dbraw/zinc/69/26/14/749692614.db2.gz STZLAUFOXYSXOL-CYBMUJFWSA-N -1 3 365.348 2.551 20 30 FFEDHM N#CC1(CC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000854526700 750325650 /nfs/dbraw/zinc/32/56/50/750325650.db2.gz NXLFCAVBDBSRBV-CYBMUJFWSA-N -1 3 359.392 2.768 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2N)c(F)c1 ZINC000168218947 845693654 /nfs/dbraw/zinc/69/36/54/845693654.db2.gz JYJLAPQYJYKSRG-UHFFFAOYSA-N -1 3 370.203 2.843 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000735380197 944643358 /nfs/dbraw/zinc/64/33/58/944643358.db2.gz DYSYLSKREQRFCO-UHFFFAOYSA-N -1 3 365.418 2.681 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000735380197 944643364 /nfs/dbraw/zinc/64/33/64/944643364.db2.gz DYSYLSKREQRFCO-UHFFFAOYSA-N -1 3 365.418 2.681 20 30 FFEDHM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737342003 945043564 /nfs/dbraw/zinc/04/35/64/945043564.db2.gz CVRSCAYZTORFEW-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737342003 945043572 /nfs/dbraw/zinc/04/35/72/945043572.db2.gz CVRSCAYZTORFEW-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM C#C[C@@H](NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573280145 946655564 /nfs/dbraw/zinc/65/55/64/946655564.db2.gz NRPZDSRRSVQLBD-LJQANCHMSA-N -1 3 372.432 2.939 20 30 FFEDHM C#C[C@@H](NC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573280145 946655567 /nfs/dbraw/zinc/65/55/67/946655567.db2.gz NRPZDSRRSVQLBD-LJQANCHMSA-N -1 3 372.432 2.939 20 30 FFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)Cc1c(C)cc(C#N)cc1C ZINC001573552787 946881870 /nfs/dbraw/zinc/88/18/70/946881870.db2.gz TXCOBPVZGIFBFO-UHFFFAOYSA-N -1 3 374.404 2.739 20 30 FFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)Cc1c(C)cc(C#N)cc1C ZINC001573552787 946881882 /nfs/dbraw/zinc/88/18/82/946881882.db2.gz TXCOBPVZGIFBFO-UHFFFAOYSA-N -1 3 374.404 2.739 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCCN(CC)c1cccc(F)c1-c1nnn[n-]1 ZINC001573314295 947229888 /nfs/dbraw/zinc/22/98/88/947229888.db2.gz ACLSHMXXBPPBED-CYBMUJFWSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCCN(CC)c1cccc(F)c1-c1nn[n-]n1 ZINC001573314295 947229902 /nfs/dbraw/zinc/22/99/02/947229902.db2.gz ACLSHMXXBPPBED-CYBMUJFWSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573315708 947256580 /nfs/dbraw/zinc/25/65/80/947256580.db2.gz OAYGXWBODAYITH-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573315708 947256587 /nfs/dbraw/zinc/25/65/87/947256587.db2.gz OAYGXWBODAYITH-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](C)N(C)c2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001573326090 947369818 /nfs/dbraw/zinc/36/98/18/947369818.db2.gz KMJJBVNIAYXHLP-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](C)N(C)c2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001573326090 947369832 /nfs/dbraw/zinc/36/98/32/947369832.db2.gz KMJJBVNIAYXHLP-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCCC(=O)NC[C@@H](CC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573333705 947439332 /nfs/dbraw/zinc/43/93/32/947439332.db2.gz DBTCYUPKFLZOEP-GFCCVEGCSA-N -1 3 363.853 2.578 20 30 FFEDHM C=CCCCC(=O)NC[C@@H](CC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573333705 947439342 /nfs/dbraw/zinc/43/93/42/947439342.db2.gz DBTCYUPKFLZOEP-GFCCVEGCSA-N -1 3 363.853 2.578 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001573334493 947457402 /nfs/dbraw/zinc/45/74/02/947457402.db2.gz DTHJEPSHZJBCLA-AWEZNQCLSA-N -1 3 363.487 2.648 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001573334493 947457408 /nfs/dbraw/zinc/45/74/08/947457408.db2.gz DTHJEPSHZJBCLA-AWEZNQCLSA-N -1 3 363.487 2.648 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCCC(C)(C)C#N ZINC000826175515 947544538 /nfs/dbraw/zinc/54/45/38/947544538.db2.gz HUDWPPMYKSZYOP-UHFFFAOYSA-N -1 3 373.413 2.517 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCCC(C)(C)C#N ZINC000826175515 947544547 /nfs/dbraw/zinc/54/45/47/947544547.db2.gz HUDWPPMYKSZYOP-UHFFFAOYSA-N -1 3 373.413 2.517 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573349015 947592158 /nfs/dbraw/zinc/59/21/58/947592158.db2.gz YCJWXWSVWILPOD-UHFFFAOYSA-N -1 3 366.377 2.832 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573349015 947592162 /nfs/dbraw/zinc/59/21/62/947592162.db2.gz YCJWXWSVWILPOD-UHFFFAOYSA-N -1 3 366.377 2.832 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H](N3CCC[C@@H](CCC(=O)[O-])C3)C2=O)cc1 ZINC001594621012 956282107 /nfs/dbraw/zinc/28/21/07/956282107.db2.gz CSLHBDVJZXXSJY-FUHWJXTLSA-N -1 3 355.438 2.630 20 30 FFEDHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)ccc21 ZINC000135365334 967509842 /nfs/dbraw/zinc/50/98/42/967509842.db2.gz YAWXYJZLUXMFBF-UHFFFAOYSA-N -1 3 373.409 2.797 20 30 FFEDHM N#CCCCN1CC[C@]2(CCCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC001271426435 972914988 /nfs/dbraw/zinc/91/49/88/972914988.db2.gz DEOHTFDRAUWUME-HXUWFJFHSA-N -1 3 355.438 2.541 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)nn1 ZINC001126075659 974179513 /nfs/dbraw/zinc/17/95/13/974179513.db2.gz JXAZARZJAQWXMU-UHFFFAOYSA-N -1 3 354.439 2.857 20 30 FFEDHM C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001087452553 977709068 /nfs/dbraw/zinc/70/90/68/977709068.db2.gz ZLAKEOQZTXDEOR-IEBWSBKVSA-N -1 3 352.409 2.752 20 30 FFEDHM Cc1ccc(C(=O)N2CCCC[C@]23CC(=O)N(CCCC#N)C3)c([O-])c1 ZINC001271851429 979151560 /nfs/dbraw/zinc/15/15/60/979151560.db2.gz WSHBGAUUCRTNHG-HXUWFJFHSA-N -1 3 355.438 2.602 20 30 FFEDHM COc1ccc([C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)NC(C)=O)cc1 ZINC000904174795 980207214 /nfs/dbraw/zinc/20/72/14/980207214.db2.gz JKYGEJIFKKGFDS-GOSISDBHSA-N -1 3 360.385 2.820 20 30 FFEDHM N#C[C@]1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC2CCC1CC2 ZINC000908285936 981406604 /nfs/dbraw/zinc/40/66/04/981406604.db2.gz WTKJPHWNUQMIIT-ICEJCHNJSA-N -1 3 371.403 2.624 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NC[C@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908810117 981541988 /nfs/dbraw/zinc/54/19/88/981541988.db2.gz UKZRXQMRHQIJSL-ZWKOTPCHSA-N -1 3 359.470 2.542 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC000908900924 981569159 /nfs/dbraw/zinc/56/91/59/981569159.db2.gz NXGKLWGOPZLKCU-MSOLQXFVSA-N -1 3 359.470 2.851 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000909000730 981591161 /nfs/dbraw/zinc/59/11/61/981591161.db2.gz OZKRGHBFLYLVCJ-NJAFHUGGSA-N -1 3 359.470 2.758 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909095003 981620569 /nfs/dbraw/zinc/62/05/69/981620569.db2.gz RTYDTBHLFDFUKN-NXHRZFHOSA-N -1 3 359.470 2.758 20 30 FFEDHM C#CCN1CCC(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)CC1 ZINC000909785919 981716109 /nfs/dbraw/zinc/71/61/09/981716109.db2.gz GNKZQQUPMKULSG-HXUWFJFHSA-N -1 3 364.445 2.817 20 30 FFEDHM C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910915461 982093290 /nfs/dbraw/zinc/09/32/90/982093290.db2.gz MFCZBRZGTQCBFL-SJLPKXTDSA-N -1 3 362.445 2.963 20 30 FFEDHM N#Cc1cccc([C@H]2CN(Cc3nnc(-c4ccccc4[O-])o3)CCO2)c1 ZINC000878323215 1014985249 /nfs/dbraw/zinc/98/52/49/1014985249.db2.gz YFMPZVYGPFMPRM-GOSISDBHSA-N -1 3 362.389 2.887 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)cc1 ZINC000131816060 987298677 /nfs/dbraw/zinc/29/86/77/987298677.db2.gz GTRZEOMYXHVIHY-KRWDZBQOSA-N -1 3 360.373 2.842 20 30 FFEDHM N#CC1CCC(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000922334204 988439602 /nfs/dbraw/zinc/43/96/02/988439602.db2.gz GAJWUKUAIBUZAU-DQPZFDDXSA-N -1 3 356.422 2.870 20 30 FFEDHM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001599865109 989236810 /nfs/dbraw/zinc/23/68/10/989236810.db2.gz VDHILGLJHCVRQB-DAXOMENPSA-N -1 3 359.426 2.529 20 30 FFEDHM COc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000916320675 989777081 /nfs/dbraw/zinc/77/70/81/989777081.db2.gz GDSFYAJJJSALGI-MRXNPFEDSA-N -1 3 368.418 2.970 20 30 FFEDHM CCOc1cc2c(cc1C/N=C\c1c([O-])c(C)ncc1CO)O[C@@H](C)C2 ZINC000747712830 995140025 /nfs/dbraw/zinc/14/00/25/995140025.db2.gz GTLPRHHJUWNDLY-INEXWVMZSA-N -1 3 356.422 2.929 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)cc1F ZINC001084196813 996329721 /nfs/dbraw/zinc/32/97/21/996329721.db2.gz XGEXHIJCEBXMMF-VQIMIIECSA-N -1 3 365.408 2.749 20 30 FFEDHM N#Cc1ccccc1NC1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000824600978 997007412 /nfs/dbraw/zinc/00/74/12/997007412.db2.gz IUUQSGUIAYRNGF-UHFFFAOYSA-N -1 3 365.389 2.709 20 30 FFEDHM CCN(C)c1ccccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000730242243 997039491 /nfs/dbraw/zinc/03/94/91/997039491.db2.gz PTYRTBABFVEMNA-UHFFFAOYSA-N -1 3 366.465 2.981 20 30 FFEDHM C[S@](=O)c1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cc1 ZINC000845841581 998671817 /nfs/dbraw/zinc/67/18/17/998671817.db2.gz BLGYQTXKTVQAHC-DWXRJYCRSA-N -1 3 365.454 2.976 20 30 FFEDHM CC(C)n1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cn1 ZINC000732711449 998743521 /nfs/dbraw/zinc/74/35/21/998743521.db2.gz NHCNOWIKUARZTJ-HNNXBMFYSA-N -1 3 370.438 2.739 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCCCn1cccn1 ZINC000733421928 998987767 /nfs/dbraw/zinc/98/77/67/998987767.db2.gz JIQSRSSDKQKICG-UHFFFAOYSA-N -1 3 356.426 2.819 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)nc2)cc1 ZINC000734080503 999196963 /nfs/dbraw/zinc/19/69/63/999196963.db2.gz UISQZJHITHSMGR-MLGOLLRUSA-N -1 3 352.394 2.960 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc2c(c1)OCO2 ZINC000742733954 999785273 /nfs/dbraw/zinc/78/52/73/999785273.db2.gz PFIVBOKDNFUJHV-UHFFFAOYSA-N -1 3 354.362 2.680 20 30 FFEDHM N#Cc1ccc(-c2nnc(COC(=O)c3cc(-c4ccco4)[n-]n3)o2)cc1 ZINC000744662690 999867795 /nfs/dbraw/zinc/86/77/95/999867795.db2.gz FQGFJGMNKIXMNQ-UHFFFAOYSA-N -1 3 361.317 2.948 20 30 FFEDHM N#Cc1ccc(-c2nnc(COC(=O)c3cc(-c4ccco4)n[n-]3)o2)cc1 ZINC000744662690 999867796 /nfs/dbraw/zinc/86/77/96/999867796.db2.gz FQGFJGMNKIXMNQ-UHFFFAOYSA-N -1 3 361.317 2.948 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc3c(c1)OCCO3)[n-]c2=O ZINC000769812402 1000610326 /nfs/dbraw/zinc/61/03/26/1000610326.db2.gz OCSKDCPJSHWAFE-UHFFFAOYSA-N -1 3 368.397 2.504 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)c2ccc3c(c2)OCCO3)c1[O-] ZINC000746683979 1001691918 /nfs/dbraw/zinc/69/19/18/1001691918.db2.gz SMESPSOBWAEXKF-UFFVCSGVSA-N -1 3 356.422 2.756 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC([O-])=NO[C@@H]3CCCCO3)ccc21 ZINC000787482383 1001695080 /nfs/dbraw/zinc/69/50/80/1001695080.db2.gz OOZOBSCJXKTHNO-GOSISDBHSA-N -1 3 372.425 2.849 20 30 FFEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)[N-]O[C@@H]3CCCCO3)ccc21 ZINC000787482383 1001695082 /nfs/dbraw/zinc/69/50/82/1001695082.db2.gz OOZOBSCJXKTHNO-GOSISDBHSA-N -1 3 372.425 2.849 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC001171365913 1001772530 /nfs/dbraw/zinc/77/25/30/1001772530.db2.gz LNCRTDIOKHJPPD-LIRRHRJNSA-N -1 3 353.422 2.906 20 30 FFEDHM N#C[C@@]1([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCc2ccccc2C1 ZINC000788840907 1001890810 /nfs/dbraw/zinc/89/08/10/1001890810.db2.gz LCLVNJPCPJZCBG-HXUWFJFHSA-N -1 3 366.442 2.791 20 30 FFEDHM N#Cc1ccc(-c2ccccc2NC(=O)CNC(=O)c2ccc([O-])cc2)nc1 ZINC001182972985 1002123134 /nfs/dbraw/zinc/12/31/34/1002123134.db2.gz PKMBKNDMEMNTQQ-UHFFFAOYSA-N -1 3 372.384 2.694 20 30 FFEDHM O=C([N-][C@H](CO)C(F)(F)F)[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001184540349 1002639118 /nfs/dbraw/zinc/63/91/18/1002639118.db2.gz DTYONDDZTBFKEY-MWLCHTKSSA-N -1 3 372.240 2.992 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)Cc3c(C)cc(C#N)cc3C)CCCC2)no1 ZINC001185587776 1002998206 /nfs/dbraw/zinc/99/82/06/1002998206.db2.gz HSEMXLRWPFHBHN-UHFFFAOYSA-N -1 3 374.466 2.755 20 30 FFEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186356850 1003286171 /nfs/dbraw/zinc/28/61/71/1003286171.db2.gz OUAGHVITYNBOLI-LLVKDONJSA-N -1 3 351.653 2.578 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1 ZINC001191451040 1003808396 /nfs/dbraw/zinc/80/83/96/1003808396.db2.gz OZGFQLWGMRMFOO-UHFFFAOYSA-N -1 3 366.345 2.814 20 30 FFEDHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c(Cl)cc(C#N)cc1Cl ZINC001193052300 1004367636 /nfs/dbraw/zinc/36/76/36/1004367636.db2.gz UEYJQIGQXLNMII-UHFFFAOYSA-N -1 3 365.238 2.948 20 30 FFEDHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CC1 ZINC001198722991 1004711899 /nfs/dbraw/zinc/71/18/99/1004711899.db2.gz RRMKGOLFYYIDTG-UHFFFAOYSA-N -1 3 363.826 2.583 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc(C(C)(C)O)cc1)[n-]c2=O ZINC000807971082 1004724507 /nfs/dbraw/zinc/72/45/07/1004724507.db2.gz HUGCMGKSMAAWIX-UHFFFAOYSA-N -1 3 368.441 2.960 20 30 FFEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1cnc(OC2CCC2)cn1 ZINC001199143847 1004842594 /nfs/dbraw/zinc/84/25/94/1004842594.db2.gz YFUSFLWHQXGTJY-UHFFFAOYSA-N -1 3 372.388 2.989 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3cccn3cn2)c(C)c1[O-] ZINC001201381563 1005208003 /nfs/dbraw/zinc/20/80/03/1005208003.db2.gz GJADEEQGFFPFFW-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM C#CCOc1cccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000107022314 1005369142 /nfs/dbraw/zinc/36/91/42/1005369142.db2.gz BZXHQZCKOQNLQU-UHFFFAOYSA-N -1 3 364.401 2.551 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)n1-c1cnn(C)c1 ZINC000850861350 1005846710 /nfs/dbraw/zinc/84/67/10/1005846710.db2.gz HAHHNGPIUOVBGB-MRXNPFEDSA-N -1 3 373.420 2.897 20 30 FFEDHM CCOc1cncc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000851527390 1005892608 /nfs/dbraw/zinc/89/26/08/1005892608.db2.gz HVRQWBKPFAREMZ-UHFFFAOYSA-N -1 3 355.394 2.745 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(CCCC)CC2)ccc1F ZINC001134751699 1006463505 /nfs/dbraw/zinc/46/35/05/1006463505.db2.gz ZQTPXMGILYRRAR-UHFFFAOYSA-N -1 3 354.447 2.743 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000816692552 1007168294 /nfs/dbraw/zinc/16/82/94/1007168294.db2.gz QKYHAOLZJBQFTD-KRWDZBQOSA-N -1 3 365.364 2.761 20 30 FFEDHM COc1ccc(Nc2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000816753191 1007192660 /nfs/dbraw/zinc/19/26/60/1007192660.db2.gz BHNBWOROJFJIIV-QGZVFWFLSA-N -1 3 355.394 2.549 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1c(C#N)nnc2ccccc21 ZINC001116245004 1032214037 /nfs/dbraw/zinc/21/40/37/1032214037.db2.gz AQANCZQDNXPSJP-UHFFFAOYSA-N -1 3 371.397 2.624 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cn(C2CC2)nn1 ZINC000860468396 1009016889 /nfs/dbraw/zinc/01/68/89/1009016889.db2.gz BYOXKINSCZBHTB-OAHLLOKOSA-N -1 3 351.410 2.699 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCC(C)(C)CO1 ZINC000887424275 1009208756 /nfs/dbraw/zinc/20/87/56/1009208756.db2.gz SKYMDPXAWCRQOD-HNNXBMFYSA-N -1 3 359.470 2.920 20 30 FFEDHM COc1c([O-])ccc(CN2CCO[C@H](c3cccc(C#N)c3)C2)c1[N+](=O)[O-] ZINC001180132836 1009558958 /nfs/dbraw/zinc/55/89/58/1009558958.db2.gz NKDXQINFKBPCEX-KRWDZBQOSA-N -1 3 369.377 2.754 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCc1cccc(C#N)c1 ZINC000863432268 1010207495 /nfs/dbraw/zinc/20/74/95/1010207495.db2.gz DAWVGPGXNSULME-UHFFFAOYSA-N -1 3 362.433 2.781 20 30 FFEDHM Cc1cc(OC(F)(F)F)ccc1C=C([O-])NC(=NC#N)c1ccncc1 ZINC001181717757 1010214501 /nfs/dbraw/zinc/21/45/01/1010214501.db2.gz BMYPCEFOBFVWGP-UHFFFAOYSA-N -1 3 362.311 2.875 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(Cc3ccccc3)n2)cc1 ZINC000773974557 1010367492 /nfs/dbraw/zinc/36/74/92/1010367492.db2.gz CVTJDEFFYYKLGO-SFHVURJKSA-N -1 3 374.400 2.901 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001171835686 1011498609 /nfs/dbraw/zinc/49/86/09/1011498609.db2.gz MZVMWALDKJLNKP-SFHVURJKSA-N -1 3 364.449 2.752 20 30 FFEDHM O=C(Nc1ccc(Oc2ccccc2F)nc1)N[C@H]1CCCN([O-])C1=O ZINC001217171704 1032633023 /nfs/dbraw/zinc/63/30/23/1032633023.db2.gz XZBDNFUECWYRFU-ZDUSSCGKSA-N -1 3 360.345 2.515 20 30 FFEDHM C=CCOc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000123285105 1012549012 /nfs/dbraw/zinc/54/90/12/1012549012.db2.gz IECJVGYNWRJZST-KEDPEKRHSA-N -1 3 365.389 2.598 20 30 FFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001275686156 1012856031 /nfs/dbraw/zinc/85/60/31/1012856031.db2.gz BLKXXHUEMUUDHD-MRXNPFEDSA-N -1 3 362.857 2.980 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC001137598780 1032670201 /nfs/dbraw/zinc/67/02/01/1032670201.db2.gz TWGSQQTVWCRZGR-AWEZNQCLSA-N -1 3 361.442 2.679 20 30 FFEDHM O=C(CN1C(=O)COc2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC000901371923 1019012276 /nfs/dbraw/zinc/01/22/76/1019012276.db2.gz XZQVDACTRBSPGZ-UHFFFAOYSA-N -1 3 362.385 2.983 20 30 FFEDHM COc1ccc(N2C[C@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC000901375721 1019015963 /nfs/dbraw/zinc/01/59/63/1019015963.db2.gz LAYDRODYJALGOZ-CQSZACIVSA-N -1 3 358.369 2.605 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000275779709 1022364303 /nfs/dbraw/zinc/36/43/03/1022364303.db2.gz ZRVOIDXWZDLLHJ-VIRAGPHVSA-N -1 3 363.458 2.843 20 30 FFEDHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000752777283 1023203029 /nfs/dbraw/zinc/20/30/29/1023203029.db2.gz PJYHTLUOKVBOLC-UHFFFAOYSA-N -1 3 373.416 2.660 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)[C@H]1C[C@@H](OC)C12CCC2 ZINC001122496475 1023305288 /nfs/dbraw/zinc/30/52/88/1023305288.db2.gz WQXBATQPMGNBKY-UONOGXRCSA-N -1 3 359.430 2.609 20 30 FFEDHM C#C[C@@H](CC)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000754379188 1023463029 /nfs/dbraw/zinc/46/30/29/1023463029.db2.gz JKDVRFJMESWZGE-PKOBYXMFSA-N -1 3 350.418 2.781 20 30 FFEDHM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2C[C@@H]2CCCO2)C1 ZINC001122812466 1023489105 /nfs/dbraw/zinc/48/91/05/1023489105.db2.gz ZQTCATQFFRPWMY-KGLIPLIRSA-N -1 3 359.430 2.610 20 30 FFEDHM Oc1ccc(F)cc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000755543039 1023608954 /nfs/dbraw/zinc/60/89/54/1023608954.db2.gz PNKXWPJKHXDLNM-OAHLLOKOSA-N -1 3 372.381 2.806 20 30 FFEDHM COc1cccc([C@]2(C)NC(=O)N(N=Cc3c([O-])cccc3Cl)C2=O)c1 ZINC000755569925 1023610794 /nfs/dbraw/zinc/61/07/94/1023610794.db2.gz RJMJZZQILPIGLI-SFHVURJKSA-N -1 3 373.796 2.855 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001121709232 1023938682 /nfs/dbraw/zinc/93/86/82/1023938682.db2.gz RVQKYFHZQKFJPC-ODCFSMADSA-N -1 3 364.453 2.584 20 30 FFEDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccccc3C#N)CC2)c1[O-] ZINC000079409376 1024261054 /nfs/dbraw/zinc/26/10/54/1024261054.db2.gz YWLKTGBJQUTLNW-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM CCC(=CC([O-])=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)CC ZINC000759539052 1024651667 /nfs/dbraw/zinc/65/16/67/1024651667.db2.gz QVFZBZXSFXTKRT-GFCCVEGCSA-N -1 3 373.365 2.760 20 30 FFEDHM C=CCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000837043328 1025532145 /nfs/dbraw/zinc/53/21/45/1025532145.db2.gz OTJALLUKYIYKTJ-HNNXBMFYSA-N -1 3 368.433 2.934 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)[C@@H]1Cc2ccccc21 ZINC000795403073 1025938117 /nfs/dbraw/zinc/93/81/17/1025938117.db2.gz DRROAPIIDCFBEE-QGZVFWFLSA-N -1 3 364.401 2.661 20 30 FFEDHM CCCCOc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1OCCCC ZINC001159325065 1027354602 /nfs/dbraw/zinc/35/46/02/1027354602.db2.gz QFLGTBUVIXPTPO-HNNXBMFYSA-N -1 3 364.442 2.764 20 30 FFEDHM CCOC(=O)c1cc2c(c(C(=O)Nc3cc(C#N)ccn3)c1[O-])CCCC2 ZINC001153929319 1028072889 /nfs/dbraw/zinc/07/28/89/1028072889.db2.gz WUOAVRANRFTOIF-UHFFFAOYSA-N -1 3 365.389 2.967 20 30 FFEDHM O=C([C@@H]1C[C@H]1c1ccsc1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802196 1028317963 /nfs/dbraw/zinc/31/79/63/1028317963.db2.gz LNGAVZZMMSFWHS-JKSUJKDBSA-N -1 3 370.430 2.756 20 30 FFEDHM CCCCCCN([O-])C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC001161819225 1028323586 /nfs/dbraw/zinc/32/35/86/1028323586.db2.gz PIHATAMNKAITME-UHFFFAOYSA-N -1 3 356.488 2.770 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC001161826534 1028327072 /nfs/dbraw/zinc/32/70/72/1028327072.db2.gz DYNNYANVGQTVRR-ZIAGYGMSSA-N -1 3 353.463 2.531 20 30 FFEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC001161842302 1028329650 /nfs/dbraw/zinc/32/96/50/1028329650.db2.gz ACJRGEYCJSBYIC-LBPRGKRZSA-N -1 3 351.399 2.751 20 30 FFEDHM CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001161842955 1028332754 /nfs/dbraw/zinc/33/27/54/1028332754.db2.gz VGNLMCPRMXJFAJ-HNNXBMFYSA-N -1 3 368.405 2.570 20 30 FFEDHM Cc1cccnc1[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C1CC1 ZINC001154559665 1028355506 /nfs/dbraw/zinc/35/55/06/1028355506.db2.gz PWYMPLLFSGOKSF-FQEVSTJZSA-N -1 3 358.401 2.984 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3cccc(-c4c[nH]cn4)c3)cc(=O)c2c1 ZINC001154561219 1028356798 /nfs/dbraw/zinc/35/67/98/1028356798.db2.gz YJKGWESEBOWLOV-UHFFFAOYSA-N -1 3 369.384 2.720 20 30 FFEDHM COC(=O)c1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ncc1N ZINC001155909057 1028970936 /nfs/dbraw/zinc/97/09/36/1028970936.db2.gz GVVNNQORZLKRPC-UHFFFAOYSA-N -1 3 370.287 2.597 20 30 FFEDHM N#Cc1cc(NC(=O)c2nc(Br)n3ccccc23)ccc1[O-] ZINC001156795680 1029349460 /nfs/dbraw/zinc/34/94/60/1029349460.db2.gz HBKNOHYBEMBPGN-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCCc2cn3ccccc3n2)n1 ZINC001158142889 1029743687 /nfs/dbraw/zinc/74/36/87/1029743687.db2.gz WVKIHZXXINJAKE-QGMBQPNBSA-N -1 3 362.846 2.962 20 30 FFEDHM COc1ccccc1[C@@H](NCc1ccc(N(C)CCC#N)cc1)C(=O)[O-] ZINC000841799398 1030472976 /nfs/dbraw/zinc/47/29/76/1030472976.db2.gz VQCNMIPUOWYSEE-LJQANCHMSA-N -1 3 353.422 2.961 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2c1C[C@@H](C)CC2 ZINC000842687061 1030901996 /nfs/dbraw/zinc/90/19/96/1030901996.db2.gz UBDXSEUFAZMCTM-KBPBESRZSA-N -1 3 366.421 2.825 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cn(C(C)C)nn1 ZINC000796749430 1030903984 /nfs/dbraw/zinc/90/39/84/1030903984.db2.gz UWDWOKIURUGFJJ-OAHLLOKOSA-N -1 3 353.426 2.945 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(C(C)C)co2)ccc1F ZINC001534943312 1069705015 /nfs/dbraw/zinc/70/50/15/1069705015.db2.gz BRZYSCYXJMDQRL-UHFFFAOYSA-N -1 3 367.402 2.654 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)nc1 ZINC000798164944 1031324084 /nfs/dbraw/zinc/32/40/84/1031324084.db2.gz PPHJLEODLNGSSD-UHFFFAOYSA-N -1 3 364.430 2.836 20 30 FFEDHM Cc1cc(C)n2nc(C(=O)[N-]c3c(C#N)cnnc3-c3ccccc3)cc2n1 ZINC001150582306 1031746740 /nfs/dbraw/zinc/74/67/40/1031746740.db2.gz ARCSNBIZBBIMPP-UHFFFAOYSA-N -1 3 369.388 2.927 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1([C@@H]2CCCCO2)CCC1 ZINC000830187959 1033499522 /nfs/dbraw/zinc/49/95/22/1033499522.db2.gz RZXYUAJLZSGVJN-KRWDZBQOSA-N -1 3 357.454 2.816 20 30 FFEDHM N#Cc1ccnc(N2CCC(Oc3[n-]c(=O)ncc3C(F)(F)F)CC2)c1 ZINC001225576987 1034317638 /nfs/dbraw/zinc/31/76/38/1034317638.db2.gz QGZCSVANWYWOPX-UHFFFAOYSA-N -1 3 365.315 2.515 20 30 FFEDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226253461 1034594632 /nfs/dbraw/zinc/59/46/32/1034594632.db2.gz JDEXTDQJRQCNNQ-RWVMAENDSA-N -1 3 350.419 2.699 20 30 FFEDHM CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccc(C(=O)[O-])nc2)CC1 ZINC000835006478 1035486014 /nfs/dbraw/zinc/48/60/14/1035486014.db2.gz FUXRCUYHSSHIOG-UHFFFAOYSA-N -1 3 367.453 2.758 20 30 FFEDHM COc1cc([O-])c(CN2CCN(c3cc(C#N)ccn3)CC2)cc1Cl ZINC001232270187 1035540531 /nfs/dbraw/zinc/54/05/31/1035540531.db2.gz XKKIEWPGEMYPOQ-UHFFFAOYSA-N -1 3 358.829 2.643 20 30 FFEDHM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1ccc(/C=N/[O-])cc1OC ZINC001233803242 1036770373 /nfs/dbraw/zinc/77/03/73/1036770373.db2.gz LYZSYBQLGLCOBH-YODDIOPGSA-N -1 3 357.410 2.845 20 30 FFEDHM C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)OCC ZINC001251374959 1039098696 /nfs/dbraw/zinc/09/86/96/1039098696.db2.gz UAMKNMOFKQPUAI-OTYXRUKQSA-N -1 3 364.250 2.780 20 30 FFEDHM N#Cc1ccc(NC(=S)Nc2c[nH]c(=O)[n-]c2=O)cc1C(F)(F)F ZINC001245742445 1039102230 /nfs/dbraw/zinc/10/22/30/1039102230.db2.gz KZIGTZOBWMKFOV-UHFFFAOYSA-N -1 3 355.301 2.587 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)OC ZINC001258909105 1039576826 /nfs/dbraw/zinc/57/68/26/1039576826.db2.gz VEPONNMTPCTCLI-CYBMUJFWSA-N -1 3 352.239 2.780 20 30 FFEDHM C#C[C@@H]1CCCN(Cc2ccc(OC)c(I)c2[O-])C1 ZINC001248494373 1040299800 /nfs/dbraw/zinc/29/98/00/1040299800.db2.gz UAYKKKMBRHROSV-LLVKDONJSA-N -1 3 371.218 2.851 20 30 FFEDHM N#CCc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1F ZINC001260453849 1040603275 /nfs/dbraw/zinc/60/32/75/1040603275.db2.gz YTPSCEZTCJOAJO-UHFFFAOYSA-N -1 3 358.350 2.799 20 30 FFEDHM N#CC[C@@H]([N-]C(=O)C(=O)Nc1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC001262745267 1041827449 /nfs/dbraw/zinc/82/74/49/1041827449.db2.gz LVWWFWVXHKGLIQ-SECBINFHSA-N -1 3 371.212 2.744 20 30 FFEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N(C)CCNC(C)=O ZINC001262939186 1041976210 /nfs/dbraw/zinc/97/62/10/1041976210.db2.gz YCBYGFNWLSEAMN-UHFFFAOYSA-N -1 3 369.469 2.528 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@](F)(c2ccccc2)C1 ZINC001262956968 1041988287 /nfs/dbraw/zinc/98/82/87/1041988287.db2.gz FMEXRJKFUIIQJH-LJQANCHMSA-N -1 3 366.400 2.702 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)OC2(CCCC2)C1 ZINC001263322990 1042240337 /nfs/dbraw/zinc/24/03/37/1042240337.db2.gz CIILMBUDZYOLSV-ZDUSSCGKSA-N -1 3 359.430 2.753 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1Br ZINC001538334194 1070411051 /nfs/dbraw/zinc/41/10/51/1070411051.db2.gz KXOBMFJQJWUOTB-UHFFFAOYSA-N -1 3 358.155 2.951 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)s1 ZINC001309601567 1043450010 /nfs/dbraw/zinc/45/00/10/1043450010.db2.gz BTYQXTAHUIFIQS-UHFFFAOYSA-N -1 3 366.851 2.881 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC001309789329 1043527627 /nfs/dbraw/zinc/52/76/27/1043527627.db2.gz FIJUCVRLHPDXPG-CQSZACIVSA-N -1 3 350.802 2.796 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C2 ZINC001309789327 1043528076 /nfs/dbraw/zinc/52/80/76/1043528076.db2.gz FIJUCVRLHPDXPG-AWEZNQCLSA-N -1 3 350.802 2.796 20 30 FFEDHM CC(C)(C)[C@@H]1CCc2nc(NC(=O)N[C@H]3CCCN([O-])C3=O)sc2C1 ZINC001310635631 1043715742 /nfs/dbraw/zinc/71/57/42/1043715742.db2.gz KJBAOLXGKWMSDC-PWSUYJOCSA-N -1 3 366.487 2.796 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1nc2c(cc1C#N)CCCC2 ZINC001319744823 1045258925 /nfs/dbraw/zinc/25/89/25/1045258925.db2.gz IEEVWOAZTMNKLZ-UHFFFAOYSA-N -1 3 374.441 2.955 20 30 FFEDHM C#CCCCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001282800247 1046225126 /nfs/dbraw/zinc/22/51/26/1046225126.db2.gz AGSRXVAYXRVJSG-KKSFZXQISA-N -1 3 354.450 2.697 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc([C@H]3CCCCO3)o2)ccc1F ZINC001331941980 1048181623 /nfs/dbraw/zinc/18/16/23/1048181623.db2.gz PBRHAMOPJAVFGS-CYBMUJFWSA-N -1 3 367.402 2.582 20 30 FFEDHM C#CCNC(=O)c1ccccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001292468243 1049349310 /nfs/dbraw/zinc/34/93/10/1049349310.db2.gz KCKPADNJZYTHQG-UHFFFAOYSA-N -1 3 373.206 2.770 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001304814712 1051717030 /nfs/dbraw/zinc/71/70/30/1051717030.db2.gz RLCJFEHUQCGIMT-FVQBIDKESA-N -1 3 366.421 2.664 20 30 FFEDHM N#Cc1ccc(SCC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001304821175 1051724096 /nfs/dbraw/zinc/72/40/96/1051724096.db2.gz YWZSWHJVJDISKP-SHTZXODSSA-N -1 3 368.462 2.989 20 30 FFEDHM CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)cn1 ZINC001343353749 1052180374 /nfs/dbraw/zinc/18/03/74/1052180374.db2.gz CTRFWUWDSHNNLF-AWEZNQCLSA-N -1 3 353.378 2.840 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001343403095 1052208905 /nfs/dbraw/zinc/20/89/05/1052208905.db2.gz AFFVDCUIOFSKCP-MRXNPFEDSA-N -1 3 362.384 2.561 20 30 FFEDHM C#CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(=C)C)C1 ZINC001343404710 1052209924 /nfs/dbraw/zinc/20/99/24/1052209924.db2.gz KPXCOHIBSQKLHI-OAHLLOKOSA-N -1 3 352.442 2.565 20 30 FFEDHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2ccc(C#N)c(OC)c2)[n-]1 ZINC001308844709 1052506951 /nfs/dbraw/zinc/50/69/51/1052506951.db2.gz OCWHQQQVPPAGBA-HNNXBMFYSA-N -1 3 371.441 2.739 20 30 FFEDHM C#C[C@H]1CCCCN1c1nnc(-c2c[n-]oc2=O)n1Cc1cccs1 ZINC001346031706 1052714224 /nfs/dbraw/zinc/71/42/24/1052714224.db2.gz CDMLNIGDUBOQAS-LBPRGKRZSA-N -1 3 355.423 2.741 20 30 FFEDHM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3cccc(F)n3)c2)o1 ZINC001347137688 1053656933 /nfs/dbraw/zinc/65/69/33/1053656933.db2.gz PCKZJGYMQHDROD-CYBMUJFWSA-N -1 3 352.325 2.907 20 30 FFEDHM CC[C@@H](C#N)N(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001338327798 1055421707 /nfs/dbraw/zinc/42/17/07/1055421707.db2.gz GHFHMYOOSKJAKK-ZDUSSCGKSA-N -1 3 369.462 2.667 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccccc2CC1 ZINC001356380733 1055480203 /nfs/dbraw/zinc/48/02/03/1055480203.db2.gz GYKWNWXXRWQEPQ-UHFFFAOYSA-N -1 3 362.437 2.622 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@H](COC)C3)n2CC)c1[O-] ZINC001352927664 1055939927 /nfs/dbraw/zinc/93/99/27/1055939927.db2.gz YCTJFYORTRXUDQ-MRXNPFEDSA-N -1 3 372.469 2.641 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCCc1ccccc1)CCN(C)C ZINC001544098199 1071595865 /nfs/dbraw/zinc/59/58/65/1071595865.db2.gz BVZSQPFJRPCZSN-UHFFFAOYSA-N -1 3 366.465 2.604 20 30 FFEDHM N#Cc1ccc(CCOC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000849685069 1056970497 /nfs/dbraw/zinc/97/04/97/1056970497.db2.gz MDTKHLMJYCLALF-GOSISDBHSA-N -1 3 364.401 2.654 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCOCC12CCCC2 ZINC001518899548 1058548656 /nfs/dbraw/zinc/54/86/56/1058548656.db2.gz PJMWLPUQHJKASU-QGZVFWFLSA-N -1 3 357.454 2.674 20 30 FFEDHM Cc1cc(Cl)ccc1O[C@@H](C(=O)N[C@H]1CCN([O-])C1=O)c1ccccc1 ZINC001450157333 1058984408 /nfs/dbraw/zinc/98/44/08/1058984408.db2.gz NFQVMMOHHKYRPC-DOTOQJQBSA-N -1 3 374.824 2.875 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC001450270381 1059003270 /nfs/dbraw/zinc/00/32/70/1059003270.db2.gz OHILDCYDHINIMY-CQSZACIVSA-N -1 3 361.785 2.637 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC001520576680 1059822179 /nfs/dbraw/zinc/82/21/79/1059822179.db2.gz YRQFDJCPSJSPQS-ODCFSMADSA-N -1 3 366.469 2.808 20 30 FFEDHM CO[C@H]1CCn2cc(C([O-])=C(C#N)c3nc4c(cccc4Cl)[nH]3)nc2C1 ZINC001517123617 1060354293 /nfs/dbraw/zinc/35/42/93/1060354293.db2.gz LMRLLAZDRKRQGT-QWRGUYRKSA-N -1 3 369.812 2.864 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](NC(C)=O)C3)n2CC)c1[O-] ZINC001521111760 1060399942 /nfs/dbraw/zinc/39/99/42/1060399942.db2.gz IPIFLEJZHAHMNJ-MRXNPFEDSA-N -1 3 369.469 2.504 20 30 FFEDHM C=CCn1cc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)nn1 ZINC001435342968 1062452778 /nfs/dbraw/zinc/45/27/78/1062452778.db2.gz LXIKBKZUIDQKDH-UHFFFAOYSA-N -1 3 360.830 2.812 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001436649351 1062759665 /nfs/dbraw/zinc/75/96/65/1062759665.db2.gz NAXFQYQJWOGYGU-UHFFFAOYSA-N -1 3 351.341 2.660 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001436649351 1062759679 /nfs/dbraw/zinc/75/96/79/1062759679.db2.gz NAXFQYQJWOGYGU-UHFFFAOYSA-N -1 3 351.341 2.660 20 30 FFEDHM N#Cc1ccc(C2(NC(=O)c3nnc4ccccc4c3[O-])CCOCC2)cc1 ZINC001471091117 1064555080 /nfs/dbraw/zinc/55/50/80/1064555080.db2.gz XGNAKYAWRRJFLT-UHFFFAOYSA-N -1 3 374.400 2.643 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnc(Cl)cc1C#N ZINC001575190622 1078115303 /nfs/dbraw/zinc/11/53/03/1078115303.db2.gz UCPIJMJQXOJVDP-SNVBAGLBSA-N -1 3 367.800 2.604 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc(Cl)cc1C#N ZINC001575190622 1078115304 /nfs/dbraw/zinc/11/53/04/1078115304.db2.gz UCPIJMJQXOJVDP-SNVBAGLBSA-N -1 3 367.800 2.604 20 30 FFEDHM Cc1ccc(C#N)cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001581138518 1078924195 /nfs/dbraw/zinc/92/41/95/1078924195.db2.gz ZPQAHGSFWRCHEO-UHFFFAOYSA-N -1 3 352.785 2.977 20 30 FFEDHM Cc1ccc(C#N)cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001581138518 1078924202 /nfs/dbraw/zinc/92/42/02/1078924202.db2.gz ZPQAHGSFWRCHEO-UHFFFAOYSA-N -1 3 352.785 2.977 20 30 FFEDHM Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001581197271 1078932875 /nfs/dbraw/zinc/93/28/75/1078932875.db2.gz SBGPGXIFOVQFHY-ZDUSSCGKSA-N -1 3 361.409 2.607 20 30 FFEDHM Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001581197271 1078932880 /nfs/dbraw/zinc/93/28/80/1078932880.db2.gz SBGPGXIFOVQFHY-ZDUSSCGKSA-N -1 3 361.409 2.607 20 30 FFEDHM N#Cc1c(F)cccc1SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001581861552 1079009261 /nfs/dbraw/zinc/00/92/61/1079009261.db2.gz WSFHSIUZYYLCMJ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1c(F)cccc1SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001581861552 1079009267 /nfs/dbraw/zinc/00/92/67/1079009267.db2.gz WSFHSIUZYYLCMJ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1cnccc1CN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001581883784 1079012398 /nfs/dbraw/zinc/01/23/98/1079012398.db2.gz WJHNTPFLSSKHBJ-CQSZACIVSA-N -1 3 359.315 2.527 20 30 FFEDHM N#Cc1cnccc1CN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001581883784 1079012409 /nfs/dbraw/zinc/01/24/09/1079012409.db2.gz WJHNTPFLSSKHBJ-CQSZACIVSA-N -1 3 359.315 2.527 20 30 FFEDHM N#Cc1sc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)nc1Cl ZINC001581885532 1079012902 /nfs/dbraw/zinc/01/29/02/1079012902.db2.gz DAXZVQLCQMLIKS-UHFFFAOYSA-N -1 3 366.193 2.754 20 30 FFEDHM N#Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nc1Cl ZINC001581885532 1079012906 /nfs/dbraw/zinc/01/29/06/1079012906.db2.gz DAXZVQLCQMLIKS-UHFFFAOYSA-N -1 3 366.193 2.754 20 30 FFEDHM Cc1cc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])cc(C)c1C#N ZINC001556528772 1075750158 /nfs/dbraw/zinc/75/01/58/1075750158.db2.gz XBVOPMXEJJPQQL-KBPBESRZSA-N -1 3 366.421 2.669 20 30 FFEDHM N#Cc1cccc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001558687747 1076057582 /nfs/dbraw/zinc/05/75/82/1076057582.db2.gz KSXYBBBVCIRFTD-UHFFFAOYSA-N -1 3 360.373 2.820 20 30 FFEDHM N#Cc1cccc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001558687747 1076057586 /nfs/dbraw/zinc/05/75/86/1076057586.db2.gz KSXYBBBVCIRFTD-UHFFFAOYSA-N -1 3 360.373 2.820 20 30 FFEDHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC001559033885 1076118130 /nfs/dbraw/zinc/11/81/30/1076118130.db2.gz CXUAFDIJYKBNBM-OAHLLOKOSA-N -1 3 366.417 2.912 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001561583523 1076394751 /nfs/dbraw/zinc/39/47/51/1076394751.db2.gz OJFFNIDTWKFQPE-MNOVXSKESA-N -1 3 358.872 2.962 20 30 FFEDHM C[C@H](C#N)C(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001573246337 1077632412 /nfs/dbraw/zinc/63/24/12/1077632412.db2.gz IRCTWRCTZREQGX-BFYDXBDKSA-N -1 3 357.454 2.689 20 30 FFEDHM C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573362280 1077683234 /nfs/dbraw/zinc/68/32/34/1077683234.db2.gz DCOGJLCOEDTBAW-MDASCCDHSA-N -1 3 363.417 2.685 20 30 FFEDHM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2snc(C)c2C#N)c1 ZINC001585892714 1079510235 /nfs/dbraw/zinc/51/02/35/1079510235.db2.gz OYBHONFTDUUSPW-UHFFFAOYSA-N -1 3 353.400 2.508 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588333830 1079987044 /nfs/dbraw/zinc/98/70/44/1079987044.db2.gz FYTZJROWQHRIDY-IBGZPJMESA-N -1 3 359.433 2.550 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588333830 1079987052 /nfs/dbraw/zinc/98/70/52/1079987052.db2.gz FYTZJROWQHRIDY-IBGZPJMESA-N -1 3 359.433 2.550 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588334456 1079989201 /nfs/dbraw/zinc/98/92/01/1079989201.db2.gz XYFCZQHDMWEWAB-JKGDOXCYSA-N -1 3 357.417 2.631 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588334456 1079989204 /nfs/dbraw/zinc/98/92/04/1079989204.db2.gz XYFCZQHDMWEWAB-JKGDOXCYSA-N -1 3 357.417 2.631 20 30 FFEDHM C#CCN(CC1CC1)C(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588350766 1079991969 /nfs/dbraw/zinc/99/19/69/1079991969.db2.gz PBYXBIOLKGPNCT-UHFFFAOYSA-N -1 3 351.435 2.875 20 30 FFEDHM C#CCN(CC1CC1)C(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588350766 1079991974 /nfs/dbraw/zinc/99/19/74/1079991974.db2.gz PBYXBIOLKGPNCT-UHFFFAOYSA-N -1 3 351.435 2.875 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588360306 1079992569 /nfs/dbraw/zinc/99/25/69/1079992569.db2.gz NNFGCEYSNWLQNJ-ZDUSSCGKSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588360306 1079992577 /nfs/dbraw/zinc/99/25/77/1079992577.db2.gz NNFGCEYSNWLQNJ-ZDUSSCGKSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCOc1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588363318 1079993330 /nfs/dbraw/zinc/99/33/30/1079993330.db2.gz YWRVMYQYBJTGON-UHFFFAOYSA-N -1 3 373.376 2.541 20 30 FFEDHM C#CCOc1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588363318 1079993337 /nfs/dbraw/zinc/99/33/37/1079993337.db2.gz YWRVMYQYBJTGON-UHFFFAOYSA-N -1 3 373.376 2.541 20 30 FFEDHM C#CCOc1ccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588362161 1079994091 /nfs/dbraw/zinc/99/40/91/1079994091.db2.gz UWZYDEWXIJZTGF-UHFFFAOYSA-N -1 3 362.389 2.555 20 30 FFEDHM C#CCOc1ccc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588362161 1079994095 /nfs/dbraw/zinc/99/40/95/1079994095.db2.gz UWZYDEWXIJZTGF-UHFFFAOYSA-N -1 3 362.389 2.555 20 30 FFEDHM C#Cc1ccc([C@H](OC(=O)c2cc(-c3nnn[n-]3)ccn2)C(F)(F)F)cc1 ZINC001588373647 1079996583 /nfs/dbraw/zinc/99/65/83/1079996583.db2.gz QCPWTTRHTFRJLO-AWEZNQCLSA-N -1 3 373.294 2.703 20 30 FFEDHM C#Cc1ccc([C@H](OC(=O)c2cc(-c3nn[n-]n3)ccn2)C(F)(F)F)cc1 ZINC001588373647 1079996587 /nfs/dbraw/zinc/99/65/87/1079996587.db2.gz QCPWTTRHTFRJLO-AWEZNQCLSA-N -1 3 373.294 2.703 20 30 FFEDHM C#Cc1cccc(CNC(=O)C(C)(C)c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001588374833 1079997763 /nfs/dbraw/zinc/99/77/63/1079997763.db2.gz QSFICHPUOSISQY-UHFFFAOYSA-N -1 3 363.396 2.581 20 30 FFEDHM C#Cc1cccc(CNC(=O)C(C)(C)c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001588374833 1079997772 /nfs/dbraw/zinc/99/77/72/1079997772.db2.gz QSFICHPUOSISQY-UHFFFAOYSA-N -1 3 363.396 2.581 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)C1CC(Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588392033 1080002926 /nfs/dbraw/zinc/00/29/26/1080002926.db2.gz UNQQHGTUMNOAKN-UHFFFAOYSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)C1CC(Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588392033 1080002935 /nfs/dbraw/zinc/00/29/35/1080002935.db2.gz UNQQHGTUMNOAKN-UHFFFAOYSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588393343 1080004426 /nfs/dbraw/zinc/00/44/26/1080004426.db2.gz OFLSFWCFKCDWJR-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588393343 1080004432 /nfs/dbraw/zinc/00/44/32/1080004432.db2.gz OFLSFWCFKCDWJR-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588400682 1080010392 /nfs/dbraw/zinc/01/03/92/1080010392.db2.gz DOPPKUNIVSKFHL-JQFCIGGWSA-N -1 3 370.457 2.550 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588400682 1080010402 /nfs/dbraw/zinc/01/04/02/1080010402.db2.gz DOPPKUNIVSKFHL-JQFCIGGWSA-N -1 3 370.457 2.550 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588416662 1080019911 /nfs/dbraw/zinc/01/99/11/1080019911.db2.gz XNEGZIYNXIYPJQ-LSDHHAIUSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588416662 1080019919 /nfs/dbraw/zinc/01/99/19/1080019919.db2.gz XNEGZIYNXIYPJQ-LSDHHAIUSA-N -1 3 369.473 2.623 20 30 FFEDHM C=C(C)CCC(=O)NCC[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001588418180 1080020285 /nfs/dbraw/zinc/02/02/85/1080020285.db2.gz UEAMVEQMTNQOLJ-OAHLLOKOSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)NCC[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001588418180 1080020295 /nfs/dbraw/zinc/02/02/95/1080020295.db2.gz UEAMVEQMTNQOLJ-OAHLLOKOSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCNC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588424450 1080023487 /nfs/dbraw/zinc/02/34/87/1080023487.db2.gz IWGYLXAORUALNV-GFCCVEGCSA-N -1 3 354.336 2.736 20 30 FFEDHM C=C(C)CCNC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588424450 1080023496 /nfs/dbraw/zinc/02/34/96/1080023496.db2.gz IWGYLXAORUALNV-GFCCVEGCSA-N -1 3 354.336 2.736 20 30 FFEDHM C=C(C)CCc1noc(-c2cnc(C(F)(F)F)c(-c3nnn[n-]3)c2)n1 ZINC001588425052 1080024023 /nfs/dbraw/zinc/02/40/23/1080024023.db2.gz UJBYCORWKMDAAG-UHFFFAOYSA-N -1 3 351.292 2.839 20 30 FFEDHM C=C(C)CCNC(=O)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001588425069 1080024040 /nfs/dbraw/zinc/02/40/40/1080024040.db2.gz UVZZCGIDKKMYMX-UHFFFAOYSA-N -1 3 374.420 2.525 20 30 FFEDHM C=C(C)CCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588425069 1080024045 /nfs/dbraw/zinc/02/40/45/1080024045.db2.gz UVZZCGIDKKMYMX-UHFFFAOYSA-N -1 3 374.420 2.525 20 30 FFEDHM C=C1CCC(C(=O)N(C)CCN(C)Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001588456230 1080033683 /nfs/dbraw/zinc/03/36/83/1080033683.db2.gz JGEWAVDMJUDFCT-UHFFFAOYSA-N -1 3 374.514 2.565 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588484335 1080047442 /nfs/dbraw/zinc/04/74/42/1080047442.db2.gz AYJCIDOPBDSKTO-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588484335 1080047451 /nfs/dbraw/zinc/04/74/51/1080047451.db2.gz AYJCIDOPBDSKTO-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588485090 1080049754 /nfs/dbraw/zinc/04/97/54/1080049754.db2.gz WTCTWCDSYKGGTN-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588485090 1080049769 /nfs/dbraw/zinc/04/97/69/1080049769.db2.gz WTCTWCDSYKGGTN-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588492494 1080053632 /nfs/dbraw/zinc/05/36/32/1080053632.db2.gz SCFSWYUANXVMDS-FZKQIMNGSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588492494 1080053640 /nfs/dbraw/zinc/05/36/40/1080053640.db2.gz SCFSWYUANXVMDS-FZKQIMNGSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588491301 1080054035 /nfs/dbraw/zinc/05/40/35/1080054035.db2.gz FXKGEFMFMLQDIS-SGTLLEGYSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588491301 1080054040 /nfs/dbraw/zinc/05/40/40/1080054040.db2.gz FXKGEFMFMLQDIS-SGTLLEGYSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588492493 1080054352 /nfs/dbraw/zinc/05/43/52/1080054352.db2.gz SCFSWYUANXVMDS-ACJLOTCBSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588492493 1080054365 /nfs/dbraw/zinc/05/43/65/1080054365.db2.gz SCFSWYUANXVMDS-ACJLOTCBSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001588493286 1080056063 /nfs/dbraw/zinc/05/60/63/1080056063.db2.gz BZYPBUOCBVDMMZ-DNVCBOLYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001588493286 1080056071 /nfs/dbraw/zinc/05/60/71/1080056071.db2.gz BZYPBUOCBVDMMZ-DNVCBOLYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588492992 1080056115 /nfs/dbraw/zinc/05/61/15/1080056115.db2.gz YOZWCSQGSYPZFR-IFXJQAMLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588492992 1080056125 /nfs/dbraw/zinc/05/61/25/1080056125.db2.gz YOZWCSQGSYPZFR-IFXJQAMLSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588494570 1080059081 /nfs/dbraw/zinc/05/90/81/1080059081.db2.gz UVVGJYQRPQKUFL-DJJJIMSYSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588494570 1080059085 /nfs/dbraw/zinc/05/90/85/1080059085.db2.gz UVVGJYQRPQKUFL-DJJJIMSYSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@](C)(O)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588498536 1080059796 /nfs/dbraw/zinc/05/97/96/1080059796.db2.gz BEHZNXMAQXWNED-XCLFUZPHSA-N -1 3 363.421 2.648 20 30 FFEDHM C=C[C@](C)(O)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588498536 1080059812 /nfs/dbraw/zinc/05/98/12/1080059812.db2.gz BEHZNXMAQXWNED-XCLFUZPHSA-N -1 3 363.421 2.648 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588520830 1080073234 /nfs/dbraw/zinc/07/32/34/1080073234.db2.gz FXSCKKCNIJIHGQ-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588520830 1080073239 /nfs/dbraw/zinc/07/32/39/1080073239.db2.gz FXSCKKCNIJIHGQ-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001588523062 1080076243 /nfs/dbraw/zinc/07/62/43/1080076243.db2.gz IGKSWUVUCXOWLR-GDBMZVCRSA-N -1 3 371.489 2.725 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001588523062 1080076250 /nfs/dbraw/zinc/07/62/50/1080076250.db2.gz IGKSWUVUCXOWLR-GDBMZVCRSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CCC1(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588556817 1080094683 /nfs/dbraw/zinc/09/46/83/1080094683.db2.gz UKEULEOXQFCFIA-CQSZACIVSA-N -1 3 372.425 2.550 20 30 FFEDHM C=CCC1(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588556817 1080094689 /nfs/dbraw/zinc/09/46/89/1080094689.db2.gz UKEULEOXQFCFIA-CQSZACIVSA-N -1 3 372.425 2.550 20 30 FFEDHM C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588570985 1080102861 /nfs/dbraw/zinc/10/28/61/1080102861.db2.gz SNQHFABOLNCRKT-ZBFHGGJFSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588570985 1080102870 /nfs/dbraw/zinc/10/28/70/1080102870.db2.gz SNQHFABOLNCRKT-ZBFHGGJFSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588575937 1080105122 /nfs/dbraw/zinc/10/51/22/1080105122.db2.gz DULPXLQWTVBZEK-INIZCTEOSA-N -1 3 352.442 2.658 20 30 FFEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001588582434 1080108641 /nfs/dbraw/zinc/10/86/41/1080108641.db2.gz KVLOBWRBLVRTFR-LLVKDONJSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001588582434 1080108643 /nfs/dbraw/zinc/10/86/43/1080108643.db2.gz KVLOBWRBLVRTFR-LLVKDONJSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCCCC(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001588586367 1080110322 /nfs/dbraw/zinc/11/03/22/1080110322.db2.gz HBTBOORTXDSTJO-INIZCTEOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001588586367 1080110325 /nfs/dbraw/zinc/11/03/25/1080110325.db2.gz HBTBOORTXDSTJO-INIZCTEOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCCCCNC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588594345 1080117506 /nfs/dbraw/zinc/11/75/06/1080117506.db2.gz TVDYHNKRCFNEAE-QGZVFWFLSA-N -1 3 354.458 2.770 20 30 FFEDHM C=CCCCCCCNC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588594345 1080117510 /nfs/dbraw/zinc/11/75/10/1080117510.db2.gz TVDYHNKRCFNEAE-QGZVFWFLSA-N -1 3 354.458 2.770 20 30 FFEDHM C=CCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001588595930 1080117568 /nfs/dbraw/zinc/11/75/68/1080117568.db2.gz APDNFTQZQOFTGY-UHFFFAOYSA-N -1 3 370.392 2.669 20 30 FFEDHM C=CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CC=C ZINC001588603458 1080120216 /nfs/dbraw/zinc/12/02/16/1080120216.db2.gz OAEFHHDCHQFRJW-UHFFFAOYSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CC=C ZINC001588603458 1080120220 /nfs/dbraw/zinc/12/02/20/1080120220.db2.gz OAEFHHDCHQFRJW-UHFFFAOYSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCCSCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588618023 1080124157 /nfs/dbraw/zinc/12/41/57/1080124157.db2.gz OHPKELMAXGAJJP-UHFFFAOYSA-N -1 3 352.851 2.951 20 30 FFEDHM C=CCCSCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588618023 1080124160 /nfs/dbraw/zinc/12/41/60/1080124160.db2.gz OHPKELMAXGAJJP-UHFFFAOYSA-N -1 3 352.851 2.951 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)[C@@H](C)COC ZINC001588625264 1080126413 /nfs/dbraw/zinc/12/64/13/1080126413.db2.gz FGVGYLUIXHTANI-LBPRGKRZSA-N -1 3 356.430 2.799 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)[C@@H](C)COC ZINC001588625264 1080126418 /nfs/dbraw/zinc/12/64/18/1080126418.db2.gz FGVGYLUIXHTANI-LBPRGKRZSA-N -1 3 356.430 2.799 20 30 FFEDHM C=CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588628121 1080127481 /nfs/dbraw/zinc/12/74/81/1080127481.db2.gz RPOHQYIUAYSJLP-YJBOKZPZSA-N -1 3 368.485 2.550 20 30 FFEDHM C=CCN(CC(=O)N(C)[C@H](C)CC(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588627606 1080127492 /nfs/dbraw/zinc/12/74/92/1080127492.db2.gz BHCFBOUIDPAUFO-MRXNPFEDSA-N -1 3 370.501 2.748 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001588641705 1080134620 /nfs/dbraw/zinc/13/46/20/1080134620.db2.gz KNMSFOYHMHAXCY-HYVNUMGLSA-N -1 3 352.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001588641705 1080134624 /nfs/dbraw/zinc/13/46/24/1080134624.db2.gz KNMSFOYHMHAXCY-HYVNUMGLSA-N -1 3 352.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC1CCCC1 ZINC001588641540 1080134839 /nfs/dbraw/zinc/13/48/39/1080134839.db2.gz HPHRAALTJYLZIM-UHFFFAOYSA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCOC1CCCC1 ZINC001588641540 1080134843 /nfs/dbraw/zinc/13/48/43/1080134843.db2.gz HPHRAALTJYLZIM-UHFFFAOYSA-N -1 3 370.457 2.524 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2c(c1)COC2 ZINC001588648298 1080137956 /nfs/dbraw/zinc/13/79/56/1080137956.db2.gz MGCVPNVFRALXCD-UHFFFAOYSA-N -1 3 361.405 2.725 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(c1)COC2 ZINC001588648298 1080137960 /nfs/dbraw/zinc/13/79/60/1080137960.db2.gz MGCVPNVFRALXCD-UHFFFAOYSA-N -1 3 361.405 2.725 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc2ccncc21 ZINC001588647784 1080138559 /nfs/dbraw/zinc/13/85/59/1080138559.db2.gz DZOQVOWAYARORP-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc2ccncc21 ZINC001588647784 1080138562 /nfs/dbraw/zinc/13/85/62/1080138562.db2.gz DZOQVOWAYARORP-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cn1 ZINC001588649614 1080139061 /nfs/dbraw/zinc/13/90/61/1080139061.db2.gz VDZFAQANRWAAEP-UHFFFAOYSA-N -1 3 353.361 2.621 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cn1 ZINC001588649614 1080139067 /nfs/dbraw/zinc/13/90/67/1080139067.db2.gz VDZFAQANRWAAEP-UHFFFAOYSA-N -1 3 353.361 2.621 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)OCCC(F)(F)F ZINC001588649122 1080140032 /nfs/dbraw/zinc/14/00/32/1080140032.db2.gz IKIDTZCEBYFLGN-UHFFFAOYSA-N -1 3 355.320 2.944 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)OCCC(F)(F)F ZINC001588649122 1080140036 /nfs/dbraw/zinc/14/00/36/1080140036.db2.gz IKIDTZCEBYFLGN-UHFFFAOYSA-N -1 3 355.320 2.944 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C2CC2)n1C1CC1 ZINC001588652168 1080142017 /nfs/dbraw/zinc/14/20/17/1080142017.db2.gz MHBQOLWZWQCHSY-UHFFFAOYSA-N -1 3 362.441 2.863 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C2CC2)n1C1CC1 ZINC001588652168 1080142024 /nfs/dbraw/zinc/14/20/24/1080142024.db2.gz MHBQOLWZWQCHSY-UHFFFAOYSA-N -1 3 362.441 2.863 20 30 FFEDHM C=CCOc1cccnc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588688766 1080154472 /nfs/dbraw/zinc/15/44/72/1080154472.db2.gz PXRXKPJRFCZKSX-UHFFFAOYSA-N -1 3 371.784 2.837 20 30 FFEDHM C=CCOc1cccnc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588688766 1080154476 /nfs/dbraw/zinc/15/44/76/1080154476.db2.gz PXRXKPJRFCZKSX-UHFFFAOYSA-N -1 3 371.784 2.837 20 30 FFEDHM C=CCONC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001588689530 1080155859 /nfs/dbraw/zinc/15/58/59/1080155859.db2.gz MGBHZAIDFDAEFX-UHFFFAOYSA-N -1 3 356.411 2.512 20 30 FFEDHM C=CCOc1ccc(COC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001588689904 1080156200 /nfs/dbraw/zinc/15/62/00/1080156200.db2.gz OHLHLWFOSUTLEN-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccc(COC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001588689904 1080156204 /nfs/dbraw/zinc/15/62/04/1080156204.db2.gz OHLHLWFOSUTLEN-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNc1c(Br)cccc1-c1nnn[n-]1 ZINC001588725976 1080171389 /nfs/dbraw/zinc/17/13/89/1080171389.db2.gz PUNYOFVUXOECOX-CABZTGNLSA-N -1 3 350.220 2.632 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNc1c(Br)cccc1-c1nn[n-]n1 ZINC001588725976 1080171392 /nfs/dbraw/zinc/17/13/92/1080171392.db2.gz PUNYOFVUXOECOX-CABZTGNLSA-N -1 3 350.220 2.632 20 30 FFEDHM CC(=O)c1ccc(C#N)c(N2CCO[C@H](c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001588912280 1080260095 /nfs/dbraw/zinc/26/00/95/1080260095.db2.gz RUJCFYHSOCIGRG-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(C#N)c(N2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001588912280 1080260101 /nfs/dbraw/zinc/26/01/01/1080260101.db2.gz RUJCFYHSOCIGRG-IBGZPJMESA-N -1 3 374.404 2.519 20 30 FFEDHM C[C@H](C#N)CN(C)c1c(Br)cc(Cl)cc1-c1nnn[n-]1 ZINC001588931453 1080269382 /nfs/dbraw/zinc/26/93/82/1080269382.db2.gz ZRQIIQROPAFKSX-SSDOTTSWSA-N -1 3 355.627 2.878 20 30 FFEDHM C[C@H](C#N)CN(C)c1c(Br)cc(Cl)cc1-c1nn[n-]n1 ZINC001588931453 1080269390 /nfs/dbraw/zinc/26/93/90/1080269390.db2.gz ZRQIIQROPAFKSX-SSDOTTSWSA-N -1 3 355.627 2.878 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588936553 1080273289 /nfs/dbraw/zinc/27/32/89/1080273289.db2.gz JKZRKAUQJXVUOR-VBNZEHGJSA-N -1 3 374.404 2.900 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588936553 1080273298 /nfs/dbraw/zinc/27/32/98/1080273298.db2.gz JKZRKAUQJXVUOR-VBNZEHGJSA-N -1 3 374.404 2.900 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC001589015267 1080304618 /nfs/dbraw/zinc/30/46/18/1080304618.db2.gz ILEAPFPANSHOOJ-VIFPVBQESA-N -1 3 354.320 2.759 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC001589015267 1080304621 /nfs/dbraw/zinc/30/46/21/1080304621.db2.gz ILEAPFPANSHOOJ-VIFPVBQESA-N -1 3 354.320 2.759 20 30 FFEDHM CC(C)(C(=O)NCc1ccc(C#N)s1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589052806 1080327957 /nfs/dbraw/zinc/32/79/57/1080327957.db2.gz RUVITBWVDABYSC-UHFFFAOYSA-N -1 3 370.413 2.533 20 30 FFEDHM CC(C)(C(=O)NCc1ccc(C#N)s1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589052806 1080327962 /nfs/dbraw/zinc/32/79/62/1080327962.db2.gz RUVITBWVDABYSC-UHFFFAOYSA-N -1 3 370.413 2.533 20 30 FFEDHM CC(C)(C(=O)Nc1cc(C#N)ccc1F)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589058549 1080330929 /nfs/dbraw/zinc/33/09/29/1080330929.db2.gz SXTBCZYTPIQABR-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C(=O)Nc1cc(C#N)ccc1F)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589058549 1080330934 /nfs/dbraw/zinc/33/09/34/1080330934.db2.gz SXTBCZYTPIQABR-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)NCCCCC#N)cc1-c1nnn[n-]1 ZINC001589203198 1080416238 /nfs/dbraw/zinc/41/62/38/1080416238.db2.gz LVDYKXVVTLUCQU-UHFFFAOYSA-N -1 3 357.418 2.859 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)NCCCCC#N)cc1-c1nn[n-]n1 ZINC001589203198 1080416242 /nfs/dbraw/zinc/41/62/42/1080416242.db2.gz LVDYKXVVTLUCQU-UHFFFAOYSA-N -1 3 357.418 2.859 20 30 FFEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cc(C#N)nc(C2CC2)n1 ZINC001589307138 1080474969 /nfs/dbraw/zinc/47/49/69/1080474969.db2.gz ITDCXKQABHRWOQ-UHFFFAOYSA-N -1 3 360.425 2.839 20 30 FFEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(C#N)nc(C2CC2)n1 ZINC001589307138 1080474971 /nfs/dbraw/zinc/47/49/71/1080474971.db2.gz ITDCXKQABHRWOQ-UHFFFAOYSA-N -1 3 360.425 2.839 20 30 FFEDHM CC(C)C[C@@](C)(C#N)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001589541860 1080594670 /nfs/dbraw/zinc/59/46/70/1080594670.db2.gz MTXRECWIMHQUCF-KRWDZBQOSA-N -1 3 358.471 2.544 20 30 FFEDHM CC(C)C[C@@](C)(C#N)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001589541860 1080594678 /nfs/dbraw/zinc/59/46/78/1080594678.db2.gz MTXRECWIMHQUCF-KRWDZBQOSA-N -1 3 358.471 2.544 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC001589752595 1080703965 /nfs/dbraw/zinc/70/39/65/1080703965.db2.gz DSXNLAZSUONQAY-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC001589752595 1080703971 /nfs/dbraw/zinc/70/39/71/1080703971.db2.gz DSXNLAZSUONQAY-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM C[C@@H](CCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001589821154 1080774014 /nfs/dbraw/zinc/77/40/14/1080774014.db2.gz WWYQRWRQWFYZOV-KXBFYZLASA-N -1 3 374.448 2.859 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589895869 1080842949 /nfs/dbraw/zinc/84/29/49/1080842949.db2.gz BEZYNYOTMNDXMY-UONOGXRCSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589895869 1080842957 /nfs/dbraw/zinc/84/29/57/1080842957.db2.gz BEZYNYOTMNDXMY-UONOGXRCSA-N -1 3 360.421 2.794 20 30 FFEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001589903627 1080852898 /nfs/dbraw/zinc/85/28/98/1080852898.db2.gz GNTRFVVUPNKAOC-UHFFFAOYSA-N -1 3 359.821 2.926 20 30 FFEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001589903627 1080852903 /nfs/dbraw/zinc/85/29/03/1080852903.db2.gz GNTRFVVUPNKAOC-UHFFFAOYSA-N -1 3 359.821 2.926 20 30 FFEDHM C[C@@H](NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(C#N)c1 ZINC001589916691 1080857987 /nfs/dbraw/zinc/85/79/87/1080857987.db2.gz AXRXQEMTQLJKRF-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(C#N)c1 ZINC001589916691 1080857994 /nfs/dbraw/zinc/85/79/94/1080857994.db2.gz AXRXQEMTQLJKRF-CYBMUJFWSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590049858 1080977692 /nfs/dbraw/zinc/97/76/92/1080977692.db2.gz QLAKXXMBHQHGQU-IWMPZKFUSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590049858 1080977697 /nfs/dbraw/zinc/97/76/97/1080977697.db2.gz QLAKXXMBHQHGQU-IWMPZKFUSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001590053644 1080982015 /nfs/dbraw/zinc/98/20/15/1080982015.db2.gz DFMYUHQTTYYXJT-GOSISDBHSA-N -1 3 351.414 2.902 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001590053644 1080982020 /nfs/dbraw/zinc/98/20/20/1080982020.db2.gz DFMYUHQTTYYXJT-GOSISDBHSA-N -1 3 351.414 2.902 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)o3)c2-c2nnn[n-]2)C1 ZINC001590278777 1081136707 /nfs/dbraw/zinc/13/67/07/1081136707.db2.gz FAVYJLKBIMEUKX-MRVPVSSYSA-N -1 3 354.395 2.770 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)o3)c2-c2nn[n-]n2)C1 ZINC001590278777 1081136709 /nfs/dbraw/zinc/13/67/09/1081136709.db2.gz FAVYJLKBIMEUKX-MRVPVSSYSA-N -1 3 354.395 2.770 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1cc[nH]n1 ZINC000286061842 257018076 /nfs/dbraw/zinc/01/80/76/257018076.db2.gz REBIAVFZXFGBAY-KRWDZBQOSA-N -1 3 353.426 2.685 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1C[C@@H](C)O ZINC000287520552 257093841 /nfs/dbraw/zinc/09/38/41/257093841.db2.gz VGCVIXIXUMAERA-CJNGLKHVSA-N -1 3 359.470 2.750 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000330764215 258170072 /nfs/dbraw/zinc/17/00/72/258170072.db2.gz RHBCWDSKQCMVJG-HIFRSBDPSA-N -1 3 356.875 2.821 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3cccc(F)c3)C2)s1 ZINC000331607787 258193126 /nfs/dbraw/zinc/19/31/26/258193126.db2.gz JKPFCYRHNUOARK-CYBMUJFWSA-N -1 3 365.455 2.706 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN2C2CCCCC2)s1 ZINC000333249731 258258494 /nfs/dbraw/zinc/25/84/94/258258494.db2.gz KAIBIQIEZNERHR-AWEZNQCLSA-N -1 3 353.513 2.695 20 30 FFEDHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000420727573 514263467 /nfs/dbraw/zinc/26/34/67/514263467.db2.gz OSWVCWQZSFRYGZ-CHWSQXEVSA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CCC2 ZINC000371587450 512480390 /nfs/dbraw/zinc/48/03/90/512480390.db2.gz CXEKPTRIPFYXNG-CYBMUJFWSA-N -1 3 364.858 2.573 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000409885279 512160186 /nfs/dbraw/zinc/16/01/86/512160186.db2.gz ICLXCWRQARYGQV-UHFFFAOYSA-N -1 3 359.354 2.570 20 30 FFEDHM COc1cccc([C@H](C/N=C/c2c([O-])c(C)ncc2CO)N2CCCC2)c1 ZINC000005110946 506423040 /nfs/dbraw/zinc/42/30/40/506423040.db2.gz HIWPUHHPLVXRJS-CNSRZQHFSA-N -1 3 369.465 2.853 20 30 FFEDHM N#CC(=C([O-])c1cccc(NC(=O)C2CC2)c1)c1nnc2n1CCCCC2 ZINC000041510038 506525566 /nfs/dbraw/zinc/52/55/66/506525566.db2.gz VCKTUWYCKQPTKF-INIZCTEOSA-N -1 3 363.421 2.843 20 30 FFEDHM N#CC(=C([O-])c1ccc(NC(=O)C2CC2)cc1)c1nnc2n1CCCCC2 ZINC000041510193 506526222 /nfs/dbraw/zinc/52/62/22/506526222.db2.gz FCMFTSLZXLKNJJ-MRXNPFEDSA-N -1 3 363.421 2.843 20 30 FFEDHM CC1CCC(N2C[C@@H](C(=O)Nc3nnc(C(F)(F)F)[n-]3)CC2=O)CC1 ZINC000066827421 506654426 /nfs/dbraw/zinc/65/44/26/506654426.db2.gz PKLUQOHBKCFYSG-KYHHOPLUSA-N -1 3 359.352 2.839 20 30 FFEDHM CC1CCC(N2C[C@@H](C(=O)Nc3nc(C(F)(F)F)n[n-]3)CC2=O)CC1 ZINC000066827421 506654431 /nfs/dbraw/zinc/65/44/31/506654431.db2.gz PKLUQOHBKCFYSG-KYHHOPLUSA-N -1 3 359.352 2.839 20 30 FFEDHM Cc1cc(C)cc(OCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000055526613 506770146 /nfs/dbraw/zinc/77/01/46/506770146.db2.gz QPCQFDIMDZCPBS-UHFFFAOYSA-N -1 3 367.449 2.608 20 30 FFEDHM Cc1c(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)nnn1-c1ccccc1 ZINC000057155111 507187889 /nfs/dbraw/zinc/18/78/89/507187889.db2.gz YDFBUUHOCHYZJF-UHFFFAOYSA-N -1 3 351.292 2.543 20 30 FFEDHM Cc1c(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)nnn1-c1ccccc1 ZINC000057155111 507187896 /nfs/dbraw/zinc/18/78/96/507187896.db2.gz YDFBUUHOCHYZJF-UHFFFAOYSA-N -1 3 351.292 2.543 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000047224888 507285340 /nfs/dbraw/zinc/28/53/40/507285340.db2.gz VYZIQLROBJQNOL-UHFFFAOYSA-N -1 3 367.405 2.942 20 30 FFEDHM COCCOc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000069346029 507472127 /nfs/dbraw/zinc/47/21/27/507472127.db2.gz MUOBENMBNCAYDV-MRXNPFEDSA-N -1 3 354.410 2.520 20 30 FFEDHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000075440463 508107645 /nfs/dbraw/zinc/10/76/45/508107645.db2.gz VVMFQFJALXIVSN-CQSZACIVSA-N -1 3 352.438 2.801 20 30 FFEDHM Cc1cc(C)cc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000076370493 508194289 /nfs/dbraw/zinc/19/42/89/508194289.db2.gz ZGHFWEPOMSZJEF-UHFFFAOYSA-N -1 3 351.450 2.772 20 30 FFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1cccs1 ZINC000077373756 508306866 /nfs/dbraw/zinc/30/68/66/508306866.db2.gz LJGVDFAXHYTGSY-ZDUSSCGKSA-N -1 3 364.448 2.511 20 30 FFEDHM CCN(CC)C(=O)CCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000088389881 508367781 /nfs/dbraw/zinc/36/77/81/508367781.db2.gz LCHLNOQWHSHXDC-UHFFFAOYSA-N -1 3 351.357 2.987 20 30 FFEDHM CCN(CC)C(=O)CCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000088389881 508367784 /nfs/dbraw/zinc/36/77/84/508367784.db2.gz LCHLNOQWHSHXDC-UHFFFAOYSA-N -1 3 351.357 2.987 20 30 FFEDHM CCN(CC)C(=O)CCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000088389881 508367786 /nfs/dbraw/zinc/36/77/86/508367786.db2.gz LCHLNOQWHSHXDC-UHFFFAOYSA-N -1 3 351.357 2.987 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000121743334 508408552 /nfs/dbraw/zinc/40/85/52/508408552.db2.gz UAHIZJUWQVSAGZ-LBPRGKRZSA-N -1 3 366.464 2.904 20 30 FFEDHM N#Cc1cc2c(nc1[N-]C(=O)c1csc(-c3ncccn3)n1)CCCC2 ZINC000121899714 508444000 /nfs/dbraw/zinc/44/40/00/508444000.db2.gz YCHQVRVYQPOAFW-UHFFFAOYSA-N -1 3 362.418 2.998 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c(cc1F)NC(=O)CC2 ZINC000156992881 508506992 /nfs/dbraw/zinc/50/69/92/508506992.db2.gz SFKQXCDRGLDVQB-UHFFFAOYSA-N -1 3 359.382 2.691 20 30 FFEDHM CCc1nc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)sc1C ZINC000157043632 508515050 /nfs/dbraw/zinc/51/50/50/508515050.db2.gz GWSCWJXKOXEZLF-UHFFFAOYSA-N -1 3 353.444 2.546 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000116851796 508568482 /nfs/dbraw/zinc/56/84/82/508568482.db2.gz GDHPTHLUVVQHIF-LLVKDONJSA-N -1 3 370.521 2.983 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000128302114 508575717 /nfs/dbraw/zinc/57/57/17/508575717.db2.gz LPPVBJHMOHMULB-GFCCVEGCSA-N -1 3 354.391 2.648 20 30 FFEDHM COCCC(=O)N1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000128483695 508599595 /nfs/dbraw/zinc/59/95/95/508599595.db2.gz FYXHCEZRVTZXED-WOJGMQOQSA-N -1 3 369.259 2.601 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c(C(F)(F)F)c1 ZINC000129161948 508691747 /nfs/dbraw/zinc/69/17/47/508691747.db2.gz WMKVIGFMRDISRE-BNOWGMLFSA-N -1 3 374.384 2.813 20 30 FFEDHM N#CCCCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000119769451 508859278 /nfs/dbraw/zinc/85/92/78/508859278.db2.gz MTQQVQQISKAUDC-MRXNPFEDSA-N -1 3 353.403 2.649 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(O)CCCCC2)c(C(F)(F)F)c1 ZINC000159821327 508896135 /nfs/dbraw/zinc/89/61/35/508896135.db2.gz RSVBLRMVVLMJNM-UHFFFAOYSA-N -1 3 362.373 2.551 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000150998464 508937479 /nfs/dbraw/zinc/93/74/79/508937479.db2.gz NRXIOBWSNNTBOZ-UHFFFAOYSA-N -1 3 373.453 2.640 20 30 FFEDHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151099322 508955695 /nfs/dbraw/zinc/95/56/95/508955695.db2.gz HRGSGQYLBPOGAH-SNVBAGLBSA-N -1 3 370.352 2.721 20 30 FFEDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000125715286 509020115 /nfs/dbraw/zinc/02/01/15/509020115.db2.gz DVVIMTRFDISQRQ-OCCSQVGLSA-N -1 3 369.468 2.809 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000156178990 509140084 /nfs/dbraw/zinc/14/00/84/509140084.db2.gz JAWUZENUNCUEOH-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC000185617046 509267144 /nfs/dbraw/zinc/26/71/44/509267144.db2.gz KRWHVDLBCWUMAD-NSHDSACASA-N -1 3 369.396 2.749 20 30 FFEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2)o1 ZINC000162680645 509278849 /nfs/dbraw/zinc/27/88/49/509278849.db2.gz BNJOJMMCUOAMCV-OAHLLOKOSA-N -1 3 362.393 2.853 20 30 FFEDHM N#Cc1ccc(CN2CC[C@H](NCc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000192243768 509422626 /nfs/dbraw/zinc/42/26/26/509422626.db2.gz BGORIVJZVWCBNR-KRWDZBQOSA-N -1 3 355.825 2.808 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)c2c(F)cc(C#N)cc2F)ccc1F ZINC000176293191 509427250 /nfs/dbraw/zinc/42/72/50/509427250.db2.gz WFYDZJWCBFAOKR-UHFFFAOYSA-N -1 3 369.324 2.599 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000189215721 509468090 /nfs/dbraw/zinc/46/80/90/509468090.db2.gz CLHOFYDFAYYODB-UHFFFAOYSA-N -1 3 363.461 2.986 20 30 FFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 ZINC000248771704 509479478 /nfs/dbraw/zinc/47/94/78/509479478.db2.gz QOLWJROQWCVFTQ-KCQAQPDRSA-N -1 3 356.451 2.950 20 30 FFEDHM C=C(C)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000183046172 509564076 /nfs/dbraw/zinc/56/40/76/509564076.db2.gz IXHLAJCOGYOEQG-UHFFFAOYSA-N -1 3 370.521 2.936 20 30 FFEDHM COCc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n[n-]1 ZINC000268457382 509940931 /nfs/dbraw/zinc/94/09/31/509940931.db2.gz CNVGHAPQSHZJAN-LLVKDONJSA-N -1 3 363.418 2.518 20 30 FFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C12CCC2 ZINC000183735862 509950960 /nfs/dbraw/zinc/95/09/60/509950960.db2.gz SXZJPTJTZOQKTJ-CABCVRRESA-N -1 3 354.859 2.838 20 30 FFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187056837 510032576 /nfs/dbraw/zinc/03/25/76/510032576.db2.gz FQYTYJHMTGHFCF-CHWSQXEVSA-N -1 3 359.875 2.998 20 30 FFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000187368471 510223851 /nfs/dbraw/zinc/22/38/51/510223851.db2.gz DBWGANTXMXWJRL-UHFFFAOYSA-N -1 3 368.393 2.633 20 30 FFEDHM CCc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c([O-])c1 ZINC000190795891 510346937 /nfs/dbraw/zinc/34/69/37/510346937.db2.gz ABEMDJAUGRVPRX-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccccc1 ZINC000184632406 510430230 /nfs/dbraw/zinc/43/02/30/510430230.db2.gz PMJFEOIARPJYDH-LLVKDONJSA-N -1 3 363.826 2.517 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000263221661 510618360 /nfs/dbraw/zinc/61/83/60/510618360.db2.gz KUMPWSWKXXBMBU-LJQANCHMSA-N -1 3 373.497 2.802 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000181837142 510619898 /nfs/dbraw/zinc/61/98/98/510619898.db2.gz GYRCWBBBEVIFKG-UHFFFAOYSA-N -1 3 351.366 2.585 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000178540152 510655214 /nfs/dbraw/zinc/65/52/14/510655214.db2.gz OOBDMGMYSCTNHL-CQSZACIVSA-N -1 3 350.346 2.639 20 30 FFEDHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1C ZINC000178808870 510783973 /nfs/dbraw/zinc/78/39/73/510783973.db2.gz SCAROVRVHLHXQN-UHFFFAOYSA-N -1 3 365.386 2.620 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000360239240 510888848 /nfs/dbraw/zinc/88/88/48/510888848.db2.gz UYEAAESKAGOGPV-QGZVFWFLSA-N -1 3 364.449 2.921 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000282499136 511001348 /nfs/dbraw/zinc/00/13/48/511001348.db2.gz KFGQHTVGIVKECD-UHFFFAOYSA-N -1 3 370.858 2.735 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C2CCC(Oc3ccc(C#N)cn3)CC2)c1[O-] ZINC000271041921 511065840 /nfs/dbraw/zinc/06/58/40/511065840.db2.gz JKBOWCWVAYHAHI-FOKLQQMPSA-N -1 3 366.421 2.664 20 30 FFEDHM C=CCC1(c2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)CCC1 ZINC000289060687 511093472 /nfs/dbraw/zinc/09/34/72/511093472.db2.gz YUEFJYYFFJPVLD-GOSISDBHSA-N -1 3 352.394 2.789 20 30 FFEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@]3(C#N)CCc4ccccc4C3)cn21 ZINC000333165794 511181012 /nfs/dbraw/zinc/18/10/12/511181012.db2.gz MSOJJMWYYDFSQK-AUUYWEPGSA-N -1 3 370.478 2.510 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c(C(F)(F)F)c1 ZINC000279709935 511185568 /nfs/dbraw/zinc/18/55/68/511185568.db2.gz HWFJCZZEDQBQII-JTQLQIEISA-N -1 3 350.387 2.608 20 30 FFEDHM COc1cc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc(OC)c1OC ZINC000298638617 511356768 /nfs/dbraw/zinc/35/67/68/511356768.db2.gz JNFXQPZMXZCIBA-CPOBKIPGSA-N -1 3 360.410 2.794 20 30 FFEDHM COc1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1[O-] ZINC000365398013 511425739 /nfs/dbraw/zinc/42/57/39/511425739.db2.gz XOCCXIVYHNRDLX-UHFFFAOYSA-N -1 3 365.433 2.689 20 30 FFEDHM N#CC1(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CCC1 ZINC000272709385 511505131 /nfs/dbraw/zinc/50/51/31/511505131.db2.gz CHSMBCFUHQWKSU-GOSISDBHSA-N -1 3 363.417 2.816 20 30 FFEDHM CC1([N-]C(=S)C(C(=O)c2nccs2)[n+]2cc([O-])cc(Cl)c2)CC1 ZINC000284048911 511587743 /nfs/dbraw/zinc/58/77/43/511587743.db2.gz JDJJRRUOFBTSBZ-UHFFFAOYSA-O -1 3 368.891 2.871 20 30 FFEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cccc(CC#N)c1 ZINC000365717589 511617838 /nfs/dbraw/zinc/61/78/38/511617838.db2.gz HTBIVPJMWUFJCU-UHFFFAOYSA-N -1 3 351.797 2.876 20 30 FFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(I)c1 ZINC000304203204 511757187 /nfs/dbraw/zinc/75/71/87/511757187.db2.gz NYFGLYVSJNAWRK-JTQLQIEISA-N -1 3 364.208 2.644 20 30 FFEDHM N#C[C@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CCC[C@]12CCCCO2 ZINC000366179288 511883735 /nfs/dbraw/zinc/88/37/35/511883735.db2.gz CVKURZONLWMAGU-UYAOXDASSA-N -1 3 351.406 2.596 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cs1 ZINC000274643487 511897443 /nfs/dbraw/zinc/89/74/43/511897443.db2.gz BGTXBNRLEXOZMJ-SECBINFHSA-N -1 3 371.871 2.854 20 30 FFEDHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)C2CC2)n1 ZINC000293283817 511907395 /nfs/dbraw/zinc/90/73/95/511907395.db2.gz HUTKYRIIWDFMIA-CQSZACIVSA-N -1 3 351.428 2.892 20 30 FFEDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000328899592 511947948 /nfs/dbraw/zinc/94/79/48/511947948.db2.gz YZWLWWRVVOUZMN-OAHLLOKOSA-N -1 3 368.437 2.678 20 30 FFEDHM COCC1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CCCC1 ZINC000351167271 511970103 /nfs/dbraw/zinc/97/01/03/511970103.db2.gz UXRNSKGGQPVZLA-UHFFFAOYSA-N -1 3 356.426 2.902 20 30 FFEDHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)n1 ZINC000329043302 511973029 /nfs/dbraw/zinc/97/30/29/511973029.db2.gz FAAJZTCBAVUDFI-GUYCJALGSA-N -1 3 369.425 2.559 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2csc(Br)c2)s1 ZINC000398325440 512955485 /nfs/dbraw/zinc/95/54/85/512955485.db2.gz OEJHMQSIGDFLGS-UHFFFAOYSA-N -1 3 363.283 2.922 20 30 FFEDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(C#Cc2ccccn2)c1 ZINC000445890567 513140150 /nfs/dbraw/zinc/14/01/50/513140150.db2.gz OOXKZKNUTBMNQG-OAHLLOKOSA-N -1 3 359.307 2.859 20 30 FFEDHM CCOC(=O)c1ccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000450993538 513444752 /nfs/dbraw/zinc/44/47/52/513444752.db2.gz VYCMJSANUJVCHS-KBXCAEBGSA-N -1 3 364.467 2.755 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432198 513584538 /nfs/dbraw/zinc/58/45/38/513584538.db2.gz HPZVTJHRZIZNAC-ZUZCIYMTSA-N -1 3 354.428 2.813 20 30 FFEDHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000435434171 513586757 /nfs/dbraw/zinc/58/67/57/513586757.db2.gz RCYGQKGCORZOQN-UHFFFAOYSA-N -1 3 366.464 2.548 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)s1 ZINC000435437659 513587654 /nfs/dbraw/zinc/58/76/54/513587654.db2.gz KYIIIAHTVOWCRN-LBPRGKRZSA-N -1 3 367.883 2.830 20 30 FFEDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cs1 ZINC000435437130 513587764 /nfs/dbraw/zinc/58/77/64/513587764.db2.gz JLSBRCXBODVDBK-UHFFFAOYSA-N -1 3 355.510 2.895 20 30 FFEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(-n3cnnn3)c2)s1 ZINC000430596986 513700527 /nfs/dbraw/zinc/70/05/27/513700527.db2.gz KOTPCJCFEJYHOD-ZDUSSCGKSA-N -1 3 352.423 2.906 20 30 FFEDHM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416384593 513744143 /nfs/dbraw/zinc/74/41/43/513744143.db2.gz IWMGLYXERUUSOV-GXFFZTMASA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(Cl)c(N3CCNC3=O)c2)nc(C)n1 ZINC000442644346 513750918 /nfs/dbraw/zinc/75/09/18/513750918.db2.gz HEAFILBAQUAMQG-ZDUSSCGKSA-N -1 3 369.812 2.767 20 30 FFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cccc(C(=O)N4CCCC4)n3)nc21 ZINC000442732388 513760752 /nfs/dbraw/zinc/76/07/52/513760752.db2.gz MHSZUEFWEAGVRK-AWEZNQCLSA-N -1 3 373.416 2.992 20 30 FFEDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000416524085 513816419 /nfs/dbraw/zinc/81/64/19/513816419.db2.gz FSXJIIHDYKWEMR-PHIMTYICSA-N -1 3 373.272 2.555 20 30 FFEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000443043096 513851326 /nfs/dbraw/zinc/85/13/26/513851326.db2.gz ZFFPKIDIHAIDIL-UHFFFAOYSA-N -1 3 360.410 2.716 20 30 FFEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CS1 ZINC000416593185 513854371 /nfs/dbraw/zinc/85/43/71/513854371.db2.gz PEOZWEGDKSZGAE-SCZZXKLOSA-N -1 3 350.387 2.749 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000443068883 513862437 /nfs/dbraw/zinc/86/24/37/513862437.db2.gz IMKZSPGCOGDIJH-UHFFFAOYSA-N -1 3 361.354 2.573 20 30 FFEDHM CCCOc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000443070200 513862542 /nfs/dbraw/zinc/86/25/42/513862542.db2.gz OMDXAOUEDCLAOQ-UHFFFAOYSA-N -1 3 365.842 2.874 20 30 FFEDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OC ZINC000451671834 513902211 /nfs/dbraw/zinc/90/22/11/513902211.db2.gz GUZJGRHDELVUIO-ZWNOBZJWSA-N -1 3 364.389 2.916 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cc(=O)[nH]c2ccccc12 ZINC000443239721 513909768 /nfs/dbraw/zinc/90/97/68/513909768.db2.gz IIBJLUGZSUJSOA-UHFFFAOYSA-N -1 3 373.821 2.944 20 30 FFEDHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443250692 513911141 /nfs/dbraw/zinc/91/11/41/513911141.db2.gz OIQAWWWNTMJWPI-MSOLQXFVSA-N -1 3 360.410 2.714 20 30 FFEDHM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccc1F ZINC000443350704 513946387 /nfs/dbraw/zinc/94/63/87/513946387.db2.gz JQNFCCIUSOMLLE-LLVKDONJSA-N -1 3 363.370 2.954 20 30 FFEDHM C=CCSc1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436699828 513946837 /nfs/dbraw/zinc/94/68/37/513946837.db2.gz WCCVRHOIKKBULC-UHFFFAOYSA-N -1 3 356.447 2.830 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)ccc1C(F)(F)F ZINC000443404941 513960659 /nfs/dbraw/zinc/96/06/59/513960659.db2.gz IFOTVPREBZLKIU-UHFFFAOYSA-N -1 3 367.312 2.649 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)ccc1C(F)(F)F ZINC000443404941 513960665 /nfs/dbraw/zinc/96/06/65/513960665.db2.gz IFOTVPREBZLKIU-UHFFFAOYSA-N -1 3 367.312 2.649 20 30 FFEDHM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000451819143 514001317 /nfs/dbraw/zinc/00/13/17/514001317.db2.gz SSPKGTTYBWACOC-SWLSCSKDSA-N -1 3 356.875 2.941 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 ZINC000416941843 514058907 /nfs/dbraw/zinc/05/89/07/514058907.db2.gz QTOAROAHZOVDBI-CYBMUJFWSA-N -1 3 365.455 2.502 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000452029334 514145568 /nfs/dbraw/zinc/14/55/68/514145568.db2.gz JBEVUGRESMKZHF-SECBINFHSA-N -1 3 368.680 2.708 20 30 FFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cn(CC(=O)C(C)(C)C)nn3)[nH]c21 ZINC000432296152 514151807 /nfs/dbraw/zinc/15/18/07/514151807.db2.gz JXYKSVYTBZUYOS-LBPRGKRZSA-N -1 3 364.409 2.568 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1C#N ZINC000427295737 514174549 /nfs/dbraw/zinc/17/45/49/514174549.db2.gz PYYVFHXDKOMGRZ-UHFFFAOYSA-N -1 3 361.810 2.845 20 30 FFEDHM Cc1cc(=NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)[nH]n1CCC#N ZINC000444282265 514179881 /nfs/dbraw/zinc/17/98/81/514179881.db2.gz BGZXBZSZYRKKTF-UHFFFAOYSA-N -1 3 374.400 2.716 20 30 FFEDHM N#C[C@@H]1CSCCN1C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444295619 514185338 /nfs/dbraw/zinc/18/53/38/514185338.db2.gz YPIIVVZNKCWTJI-MRXNPFEDSA-N -1 3 352.415 2.704 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420758508 514280308 /nfs/dbraw/zinc/28/03/08/514280308.db2.gz VJUOIHDLPDKRCI-MNOVXSKESA-N -1 3 367.801 2.953 20 30 FFEDHM CCCc1c([N-]S(=O)(=O)N(CC)CC)cnn1-c1cccc(C#N)c1 ZINC000438835376 514451619 /nfs/dbraw/zinc/45/16/19/514451619.db2.gz MFKVFBWPZRRAON-UHFFFAOYSA-N -1 3 361.471 2.695 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000428373168 514459854 /nfs/dbraw/zinc/45/98/54/514459854.db2.gz KRZOSXVQUVOPKP-GFCCVEGCSA-N -1 3 355.341 2.578 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)c1cc(OC)c(OC)cc1Cl ZINC000470841230 514637453 /nfs/dbraw/zinc/63/74/53/514637453.db2.gz NNFCEXVLPASNQX-UHFFFAOYSA-N -1 3 369.830 2.815 20 30 FFEDHM CCCOc1cccnc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000480209388 514882089 /nfs/dbraw/zinc/88/20/89/514882089.db2.gz MUNSJVKPRHLZMF-UHFFFAOYSA-N -1 3 362.393 2.634 20 30 FFEDHM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476186365 514939456 /nfs/dbraw/zinc/93/94/56/514939456.db2.gz DVBBDWXWJISVBZ-CYBMUJFWSA-N -1 3 368.842 2.731 20 30 FFEDHM CC(C)OC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000480749881 515070506 /nfs/dbraw/zinc/07/05/06/515070506.db2.gz QINNPGCVUQWZBE-NSHDSACASA-N -1 3 358.847 2.610 20 30 FFEDHM N#Cc1ccccc1OCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467725155 515095398 /nfs/dbraw/zinc/09/53/98/515095398.db2.gz VPHUXVIBOZRPQG-UHFFFAOYSA-N -1 3 354.316 2.666 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1(CO)CCC1 ZINC000490115554 515109780 /nfs/dbraw/zinc/10/97/80/515109780.db2.gz WKGFBWIHXUQZLZ-HNNXBMFYSA-N -1 3 356.875 2.677 20 30 FFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000509511033 515212458 /nfs/dbraw/zinc/21/24/58/515212458.db2.gz LNVIOJJWGAFLCG-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000509523610 515218274 /nfs/dbraw/zinc/21/82/74/515218274.db2.gz KQAOATKWTMFRMC-UHFFFAOYSA-N -1 3 353.806 2.741 20 30 FFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1 ZINC000490583626 515256543 /nfs/dbraw/zinc/25/65/43/515256543.db2.gz VRNVYGHDBYCUAU-UHFFFAOYSA-N -1 3 351.403 2.566 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c([O-])c1 ZINC000490792966 515306621 /nfs/dbraw/zinc/30/66/21/515306621.db2.gz KRSYVISHMPWABH-UHFFFAOYSA-N -1 3 353.378 2.759 20 30 FFEDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]1 ZINC000486627228 515569096 /nfs/dbraw/zinc/56/90/96/515569096.db2.gz HYVWFQCNSRRFFS-UWVGGRQHSA-N -1 3 367.862 2.883 20 30 FFEDHM N#Cc1ccc(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1[O-] ZINC000473520067 515645503 /nfs/dbraw/zinc/64/55/03/515645503.db2.gz CFJYLHFRHORLCQ-UHFFFAOYSA-N -1 3 367.371 2.799 20 30 FFEDHM CCc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)ccc1[O-] ZINC000487042729 515731538 /nfs/dbraw/zinc/73/15/38/515731538.db2.gz YRUXWIMKRWQBQT-UHFFFAOYSA-N -1 3 350.353 2.825 20 30 FFEDHM N#CCCCn1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c2ccccc21 ZINC000469693339 515921890 /nfs/dbraw/zinc/92/18/90/515921890.db2.gz BKFGTFNBCQGHNN-UHFFFAOYSA-N -1 3 361.405 2.639 20 30 FFEDHM COc1ccc(-c2nc([N-]C(=O)c3ccc(C#N)s3)n[nH]2)c(OC)c1 ZINC000487712498 515951299 /nfs/dbraw/zinc/95/12/99/515951299.db2.gz YOBGTYBRAMLWBT-UHFFFAOYSA-N -1 3 355.379 2.674 20 30 FFEDHM CS[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)(C)C ZINC000544100595 516580633 /nfs/dbraw/zinc/58/06/33/516580633.db2.gz XTBHLDFXVFHXQK-ZDUSSCGKSA-N -1 3 357.457 2.522 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000558084887 516585570 /nfs/dbraw/zinc/58/55/70/516585570.db2.gz ONOATQVDIRBHAA-INIZCTEOSA-N -1 3 366.483 2.734 20 30 FFEDHM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000518383379 516637229 /nfs/dbraw/zinc/63/72/29/516637229.db2.gz LFNGYZKTTSXEEP-ZWNOBZJWSA-N -1 3 364.389 2.652 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000561558480 516652731 /nfs/dbraw/zinc/65/27/31/516652731.db2.gz WERVZKXVWVWSEQ-FVMDXXJSSA-N -1 3 350.346 2.637 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000548122706 516777836 /nfs/dbraw/zinc/77/78/36/516777836.db2.gz WCDGLNYRVJHWFX-GLQYFDAESA-N -1 3 354.859 2.694 20 30 FFEDHM C=C(C)[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(F)c(F)c1 ZINC000548189005 516815310 /nfs/dbraw/zinc/81/53/10/516815310.db2.gz BZEPZCKGAHRNBN-GOSISDBHSA-N -1 3 360.360 2.834 20 30 FFEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)cc(OC)c1Br ZINC000544815048 516940498 /nfs/dbraw/zinc/94/04/98/516940498.db2.gz UBODMYDTVNYQSZ-SNVBAGLBSA-N -1 3 362.183 2.746 20 30 FFEDHM CC1(C)c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2NC1=O ZINC000551927587 516963757 /nfs/dbraw/zinc/96/37/57/516963757.db2.gz FWRGMRWVFFHAGX-ZDUSSCGKSA-N -1 3 363.421 2.724 20 30 FFEDHM C[C@]1(c2ccc(-c3noc(-c4ccc(CC#N)cc4)n3)cc2)NC(=O)[N-]C1=O ZINC000544906987 516984667 /nfs/dbraw/zinc/98/46/67/516984667.db2.gz VOCNPMVJQVNOLK-HXUWFJFHSA-N -1 3 373.372 2.524 20 30 FFEDHM C[C@]1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000541386651 517022862 /nfs/dbraw/zinc/02/28/62/517022862.db2.gz GEKZYYXXPZSUDI-CABCVRRESA-N -1 3 374.384 2.813 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)ccc1Cl ZINC000562315479 517027579 /nfs/dbraw/zinc/02/75/79/517027579.db2.gz BLNWTWHIEYOQJB-JTQLQIEISA-N -1 3 366.830 2.630 20 30 FFEDHM C=CCc1cc(C(=O)N=c2[nH][n-]cc2Br)cc(OC)c1OC ZINC000552274401 517173622 /nfs/dbraw/zinc/17/36/22/517173622.db2.gz SDETYPLWFXLGJW-UHFFFAOYSA-N -1 3 366.215 2.592 20 30 FFEDHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000545370470 517203306 /nfs/dbraw/zinc/20/33/06/517203306.db2.gz YLBZGKFXQGXEAV-RHSMWYFYSA-N -1 3 366.483 2.775 20 30 FFEDHM COc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c([O-])c1 ZINC000530062811 517533857 /nfs/dbraw/zinc/53/38/57/517533857.db2.gz XHWIWJDNWMRABN-UHFFFAOYSA-N -1 3 352.390 2.708 20 30 FFEDHM N#Cc1cc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)cnc1C(F)(F)F ZINC000549559736 517618985 /nfs/dbraw/zinc/61/89/85/517618985.db2.gz IYIVTZZVQQQMRJ-UHFFFAOYSA-N -1 3 372.310 2.864 20 30 FFEDHM N#Cc1cccnc1OC1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000527326381 517641470 /nfs/dbraw/zinc/64/14/70/517641470.db2.gz MWWQLZPDKGUYHX-UHFFFAOYSA-N -1 3 363.464 2.683 20 30 FFEDHM N#CC(=C([O-])c1cnc2n[nH]nc2c1)c1nc2ccccc2n1C(F)F ZINC000527350280 517652567 /nfs/dbraw/zinc/65/25/67/517652567.db2.gz BXQJHQIQKKAVNZ-VIFPVBQESA-N -1 3 353.292 2.588 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO[C@@H]1C1CC1 ZINC000546636421 517768042 /nfs/dbraw/zinc/76/80/42/517768042.db2.gz UKWZNBBOVSROHC-CVEARBPZSA-N -1 3 354.859 2.695 20 30 FFEDHM N#CC(=C([O-])c1cnc2c(cnn2Cc2ccccc2)c1)c1ccncn1 ZINC000546860548 517893505 /nfs/dbraw/zinc/89/35/05/517893505.db2.gz WVRFHVVXINZVFX-KRWDZBQOSA-N -1 3 354.373 2.760 20 30 FFEDHM N#Cc1ccc2c(c1)N(Cc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)CC2 ZINC000550198498 517922898 /nfs/dbraw/zinc/92/28/98/517922898.db2.gz KERSBTAJHWQLFJ-UHFFFAOYSA-N -1 3 368.400 2.955 20 30 FFEDHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000584271305 518255268 /nfs/dbraw/zinc/25/52/68/518255268.db2.gz DAYXDFRRSRPPGU-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM COc1nc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n[n-]1 ZINC000573007571 518463299 /nfs/dbraw/zinc/46/32/99/518463299.db2.gz DJGGAGRZMQMROX-UHFFFAOYSA-N -1 3 374.832 2.584 20 30 FFEDHM COc1nnc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[n-]1 ZINC000573007571 518463301 /nfs/dbraw/zinc/46/33/01/518463301.db2.gz DJGGAGRZMQMROX-UHFFFAOYSA-N -1 3 374.832 2.584 20 30 FFEDHM COc1n[n-]c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 ZINC000573007571 518463304 /nfs/dbraw/zinc/46/33/04/518463304.db2.gz DJGGAGRZMQMROX-UHFFFAOYSA-N -1 3 374.832 2.584 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000579076314 518507414 /nfs/dbraw/zinc/50/74/14/518507414.db2.gz MTPGTKFQKOLPAY-UHFFFAOYSA-N -1 3 352.456 2.755 20 30 FFEDHM CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000584863353 518513191 /nfs/dbraw/zinc/51/31/91/518513191.db2.gz SBSGEHAUMKSXKT-UHFFFAOYSA-N -1 3 366.421 2.796 20 30 FFEDHM O=C(CNCC(F)(F)F)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000579158548 518548003 /nfs/dbraw/zinc/54/80/03/518548003.db2.gz GGIGGLFICSLUQQ-JTQLQIEISA-N -1 3 350.209 2.836 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1cccnc1 ZINC000585708321 518569953 /nfs/dbraw/zinc/56/99/53/518569953.db2.gz SSDUXYBMMZWQLH-SNVBAGLBSA-N -1 3 366.240 2.755 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000564706990 518573602 /nfs/dbraw/zinc/57/36/02/518573602.db2.gz DHYJVXDHWXPPKP-MNOVXSKESA-N -1 3 366.664 2.724 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000586756108 518629271 /nfs/dbraw/zinc/62/92/71/518629271.db2.gz RPUCBANIMAZSKK-GFCCVEGCSA-N -1 3 368.402 2.650 20 30 FFEDHM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000567998466 518823449 /nfs/dbraw/zinc/82/34/49/518823449.db2.gz PASFVSOJKJQLRE-UHFFFAOYSA-N -1 3 351.472 2.754 20 30 FFEDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000573782648 518832275 /nfs/dbraw/zinc/83/22/75/518832275.db2.gz JDJWGOQTMRXLHL-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](F)C1 ZINC000582662948 518863467 /nfs/dbraw/zinc/86/34/67/518863467.db2.gz HVLUNCWPKRDWMK-NWDGAFQWSA-N -1 3 361.236 2.880 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000589230094 518959079 /nfs/dbraw/zinc/95/90/79/518959079.db2.gz AWEFUESEXJZTOW-QGZVFWFLSA-N -1 3 362.426 2.735 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000565557647 519015927 /nfs/dbraw/zinc/01/59/27/519015927.db2.gz AAOMYDFXLXFELR-QMMMGPOBSA-N -1 3 365.224 2.567 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2Br)o1 ZINC000583136132 519094698 /nfs/dbraw/zinc/09/46/98/519094698.db2.gz IBJFUOQJZPWETG-UHFFFAOYSA-N -1 3 363.139 2.993 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000571602177 519173568 /nfs/dbraw/zinc/17/35/68/519173568.db2.gz DCFYSDHBTQWSFL-LSDHHAIUSA-N -1 3 354.859 2.783 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000568715997 519177242 /nfs/dbraw/zinc/17/72/42/519177242.db2.gz IMMDWYGYXXSMEQ-MNOVXSKESA-N -1 3 366.664 2.724 20 30 FFEDHM C=CCC1(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCCCC1 ZINC000577829662 519276979 /nfs/dbraw/zinc/27/69/79/519276979.db2.gz QRCNGZADGSNULO-LJQANCHMSA-N -1 3 355.438 2.750 20 30 FFEDHM C=CCN(CCC#N)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000566389154 519467945 /nfs/dbraw/zinc/46/79/45/519467945.db2.gz OCYHNZLKCZMJEI-UHFFFAOYSA-N -1 3 370.434 2.572 20 30 FFEDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000591257654 519563049 /nfs/dbraw/zinc/56/30/49/519563049.db2.gz CXZLZIGXCCFBLT-UHFFFAOYSA-N -1 3 361.423 2.912 20 30 FFEDHM N#CCCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000594455904 519975315 /nfs/dbraw/zinc/97/53/15/519975315.db2.gz FHSVWNFKGGDOOE-QGZVFWFLSA-N -1 3 372.469 2.804 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CO)C1CCCC1 ZINC000594776258 520150238 /nfs/dbraw/zinc/15/02/38/520150238.db2.gz XHBWXBUATSMVOS-HNNXBMFYSA-N -1 3 364.492 2.911 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CC=CC2)s1 ZINC000592097644 520181234 /nfs/dbraw/zinc/18/12/34/520181234.db2.gz JEGRSTBVQYMPHV-KRWDZBQOSA-N -1 3 374.487 2.968 20 30 FFEDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)O1 ZINC000594853065 520188572 /nfs/dbraw/zinc/18/85/72/520188572.db2.gz WLBHOWWZYILGJA-CMPLNLGQSA-N -1 3 362.373 2.813 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594869053 520198829 /nfs/dbraw/zinc/19/88/29/520198829.db2.gz ACQILJHQQOVIMC-UHFFFAOYSA-N -1 3 370.858 2.879 20 30 FFEDHM COc1cccc2c1CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000600516578 520301628 /nfs/dbraw/zinc/30/16/28/520301628.db2.gz OVLQGAORBKASTQ-UHFFFAOYSA-N -1 3 351.406 2.759 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000609477044 520324595 /nfs/dbraw/zinc/32/45/95/520324595.db2.gz BYJLQIXXIRHARA-LLVKDONJSA-N -1 3 351.341 2.888 20 30 FFEDHM C[C@@H](C#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000609523947 520342281 /nfs/dbraw/zinc/34/22/81/520342281.db2.gz BJMKFVXEBIUUIE-LBPRGKRZSA-N -1 3 361.398 2.516 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)cn1CC1CC1 ZINC000595339787 520416595 /nfs/dbraw/zinc/41/65/95/520416595.db2.gz AKALVRJLRNHDDT-UHFFFAOYSA-N -1 3 372.494 2.941 20 30 FFEDHM N#Cc1cnccc1[N-]C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609786451 520432142 /nfs/dbraw/zinc/43/21/42/520432142.db2.gz VLPACONYBBZFTQ-UHFFFAOYSA-N -1 3 351.347 2.659 20 30 FFEDHM CC[C@H]1CCCC[C@H]1OCC(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000613345368 520457126 /nfs/dbraw/zinc/45/71/26/520457126.db2.gz JMTFLVPQKJOGTG-FUHWJXTLSA-N -1 3 367.453 2.793 20 30 FFEDHM N#CCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000600972290 520566108 /nfs/dbraw/zinc/56/61/08/520566108.db2.gz DSQBSZZXQSKCGL-UHFFFAOYSA-N -1 3 363.417 2.949 20 30 FFEDHM N#Cc1[n-]c(=NCCC2(O)CCN(c3ccccc3)CC2)sc1Cl ZINC000601224076 520696320 /nfs/dbraw/zinc/69/63/20/520696320.db2.gz YLPHIEXRBLVLDG-UHFFFAOYSA-N -1 3 362.886 2.924 20 30 FFEDHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000613926159 520730384 /nfs/dbraw/zinc/73/03/84/520730384.db2.gz TVWIZPGLUAYMPN-RDJZCZTQSA-N -1 3 350.484 2.544 20 30 FFEDHM N#CCC1(C[N-]S(=O)(=O)c2cccnc2Oc2ccc(F)cc2)CC1 ZINC000601407733 520775816 /nfs/dbraw/zinc/77/58/16/520775816.db2.gz CNHKXBRDIJUUTP-UHFFFAOYSA-N -1 3 361.398 2.985 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000601443973 520789375 /nfs/dbraw/zinc/78/93/75/520789375.db2.gz MKQQRKUJXZOZHG-LBPRGKRZSA-N -1 3 370.356 2.656 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c(F)c1 ZINC000614080216 520789714 /nfs/dbraw/zinc/78/97/14/520789714.db2.gz HBCYYOZKRJDROB-MEDUHNTESA-N -1 3 353.419 2.535 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)s1 ZINC000614080224 520789731 /nfs/dbraw/zinc/78/97/31/520789731.db2.gz LGHWDPRNPDBRGW-HSMVNMDESA-N -1 3 369.512 2.696 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c(F)c1 ZINC000610711805 520808343 /nfs/dbraw/zinc/80/83/43/520808343.db2.gz LBOTXYDJBSKBPA-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM Cc1nc([N-]C(=O)[C@H](C)OC2CCCCCC2)n(-c2ccc(C#N)cc2)n1 ZINC000610757747 520830767 /nfs/dbraw/zinc/83/07/67/520830767.db2.gz VUGKQZFZIYJDNE-AWEZNQCLSA-N -1 3 367.453 2.936 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c1 ZINC000610785326 520840825 /nfs/dbraw/zinc/84/08/25/520840825.db2.gz JFIKWJWVERTSBX-JTQLQIEISA-N -1 3 365.199 2.787 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000611017890 520949034 /nfs/dbraw/zinc/94/90/34/520949034.db2.gz KBYMOQJBZXWOGR-MRXNPFEDSA-N -1 3 362.838 2.804 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2coc(C3CC3)n2)no1 ZINC000599192978 521080821 /nfs/dbraw/zinc/08/08/21/521080821.db2.gz SZHFZXMEGQTBCC-UHFFFAOYSA-N -1 3 351.366 2.976 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1sc(NC(C)=O)nc1C ZINC000611292259 521084267 /nfs/dbraw/zinc/08/42/67/521084267.db2.gz PPHHCVLEQNGBBB-UHFFFAOYSA-N -1 3 358.489 2.551 20 30 FFEDHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Cl)cc1 ZINC000593593692 521096800 /nfs/dbraw/zinc/09/68/00/521096800.db2.gz YIDZAXWYVWWMPB-ZDUSSCGKSA-N -1 3 369.899 2.854 20 30 FFEDHM N#CC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000596495294 521098816 /nfs/dbraw/zinc/09/88/16/521098816.db2.gz SWTLARFQBNZJNO-NSHDSACASA-N -1 3 352.232 2.990 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)nc2)c2cc(F)ccc2O1 ZINC000593637402 521123748 /nfs/dbraw/zinc/12/37/48/521123748.db2.gz UNWRHMCOSRTQIU-HNNXBMFYSA-N -1 3 361.398 2.673 20 30 FFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CSCc2ccc(C#N)cc2)n1 ZINC000602171521 521185603 /nfs/dbraw/zinc/18/56/03/521185603.db2.gz MBTZAJFRZDJVAE-UHFFFAOYSA-N -1 3 356.451 2.647 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000618716043 521195913 /nfs/dbraw/zinc/19/59/13/521195913.db2.gz FWRRQWBJGIQKIC-OAHLLOKOSA-N -1 3 361.354 2.571 20 30 FFEDHM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000599410290 521204142 /nfs/dbraw/zinc/20/41/42/521204142.db2.gz HHDQAWWFAVSNHJ-LBPRGKRZSA-N -1 3 364.389 2.652 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)cc1Br ZINC000619000660 521347068 /nfs/dbraw/zinc/34/70/68/521347068.db2.gz UUXAYYAKDPMYOD-VIFPVBQESA-N -1 3 365.199 2.787 20 30 FFEDHM N#CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000594216859 521482680 /nfs/dbraw/zinc/48/26/80/521482680.db2.gz WHGWWFREDQIIPI-UHFFFAOYSA-N -1 3 363.361 2.550 20 30 FFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccnn1C ZINC000615947441 521585415 /nfs/dbraw/zinc/58/54/15/521585415.db2.gz XUOJXDRSWVRLOV-ZDUSSCGKSA-N -1 3 366.874 2.663 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)c3cccc(CC#N)c3)CCCCC2)no1 ZINC000619475381 521587889 /nfs/dbraw/zinc/58/78/89/521587889.db2.gz RKPRAUWABRQJGZ-UHFFFAOYSA-N -1 3 360.439 2.582 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1ccc(C)c(C)c1 ZINC000619497240 521598232 /nfs/dbraw/zinc/59/82/32/521598232.db2.gz WRNGYUPZUQWMLS-GOSISDBHSA-N -1 3 372.446 2.562 20 30 FFEDHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cccc(CC#N)c2)no1 ZINC000619497471 521598290 /nfs/dbraw/zinc/59/82/90/521598290.db2.gz BHZONHMRJLGHEF-UHFFFAOYSA-N -1 3 368.418 2.590 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1Br ZINC000619724387 521839273 /nfs/dbraw/zinc/83/92/73/521839273.db2.gz OBMPMZBMNFWHSV-CYBMUJFWSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1Br ZINC000619724387 521839281 /nfs/dbraw/zinc/83/92/81/521839281.db2.gz OBMPMZBMNFWHSV-CYBMUJFWSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1Br ZINC000619724387 521839290 /nfs/dbraw/zinc/83/92/90/521839290.db2.gz OBMPMZBMNFWHSV-CYBMUJFWSA-N -1 3 374.173 2.854 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625240049 523282251 /nfs/dbraw/zinc/28/22/51/523282251.db2.gz NZYSYSJXVTVBEC-NEPJUHHUSA-N -1 3 364.236 2.518 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473859724 561059523 /nfs/dbraw/zinc/05/95/23/561059523.db2.gz VMYIYYDMKSDXHV-OAHLLOKOSA-N -1 3 370.409 2.939 20 30 FFEDHM N#CCOc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737698485 598842884 /nfs/dbraw/zinc/84/28/84/598842884.db2.gz ZJDZXHLGMGTSED-YFHOEESVSA-N -1 3 361.361 2.526 20 30 FFEDHM N#CCOc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737698485 598842886 /nfs/dbraw/zinc/84/28/86/598842886.db2.gz ZJDZXHLGMGTSED-YFHOEESVSA-N -1 3 361.361 2.526 20 30 FFEDHM C[C@@H](C#N)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735504452 598895548 /nfs/dbraw/zinc/89/55/48/598895548.db2.gz NPKHNCXFQMFIRS-ZDUSSCGKSA-N -1 3 364.384 2.694 20 30 FFEDHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737474928 598915053 /nfs/dbraw/zinc/91/50/53/598915053.db2.gz UDOJKSXPVINSSD-UHFFFAOYSA-N -1 3 367.438 2.954 20 30 FFEDHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737474928 598915055 /nfs/dbraw/zinc/91/50/55/598915055.db2.gz UDOJKSXPVINSSD-UHFFFAOYSA-N -1 3 367.438 2.954 20 30 FFEDHM CC(C)(C)c1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000735656484 598916060 /nfs/dbraw/zinc/91/60/60/598916060.db2.gz XEKUILFDLBKVGK-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM CC(C)(C)c1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000735656484 598916062 /nfs/dbraw/zinc/91/60/62/598916062.db2.gz XEKUILFDLBKVGK-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735425776 598949416 /nfs/dbraw/zinc/94/94/16/598949416.db2.gz GOMJZKSAXRIYRM-UHFFFAOYSA-N -1 3 369.450 2.552 20 30 FFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735425776 598949418 /nfs/dbraw/zinc/94/94/18/598949418.db2.gz GOMJZKSAXRIYRM-UHFFFAOYSA-N -1 3 369.450 2.552 20 30 FFEDHM COc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc(Cl)c1OC ZINC000821712421 607254012 /nfs/dbraw/zinc/25/40/12/607254012.db2.gz HRZZUTMZGQOCNB-UHFFFAOYSA-N -1 3 372.816 2.661 20 30 FFEDHM COc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc(Cl)c1OC ZINC000821712421 607254013 /nfs/dbraw/zinc/25/40/13/607254013.db2.gz HRZZUTMZGQOCNB-UHFFFAOYSA-N -1 3 372.816 2.661 20 30 FFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C(F)(F)F)ccc1C#N ZINC000736816238 599041065 /nfs/dbraw/zinc/04/10/65/599041065.db2.gz BPAHSRZXLWEDRU-UHFFFAOYSA-N -1 3 359.315 2.789 20 30 FFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C(F)(F)F)ccc1C#N ZINC000736816238 599041068 /nfs/dbraw/zinc/04/10/68/599041068.db2.gz BPAHSRZXLWEDRU-UHFFFAOYSA-N -1 3 359.315 2.789 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735381069 599092626 /nfs/dbraw/zinc/09/26/26/599092626.db2.gz KZBJFTNIILDHGF-UHFFFAOYSA-N -1 3 365.368 2.589 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735381069 599092629 /nfs/dbraw/zinc/09/26/29/599092629.db2.gz KZBJFTNIILDHGF-UHFFFAOYSA-N -1 3 365.368 2.589 20 30 FFEDHM COc1ccc(C=C2COc3c(F)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737081566 599155510 /nfs/dbraw/zinc/15/55/10/599155510.db2.gz GHFIJOJQXGQCFA-YRNVUSSQSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1ccc(C=C2COc3c(F)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737081566 599155512 /nfs/dbraw/zinc/15/55/12/599155512.db2.gz GHFIJOJQXGQCFA-YRNVUSSQSA-N -1 3 352.325 2.673 20 30 FFEDHM C[C@@]1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC000736203989 599194070 /nfs/dbraw/zinc/19/40/70/599194070.db2.gz PXPZRXXCLLHWIA-HXUWFJFHSA-N -1 3 358.405 2.971 20 30 FFEDHM C[C@@]1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC000736203989 599194072 /nfs/dbraw/zinc/19/40/72/599194072.db2.gz PXPZRXXCLLHWIA-HXUWFJFHSA-N -1 3 358.405 2.971 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(-c3ccncc3)s2)cc1-c1nnn[n-]1 ZINC000737718445 599195975 /nfs/dbraw/zinc/19/59/75/599195975.db2.gz JJOVLAQVMVSVLI-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc(-c3ccncc3)s2)cc1-c1nn[n-]n1 ZINC000737718445 599195976 /nfs/dbraw/zinc/19/59/76/599195976.db2.gz JJOVLAQVMVSVLI-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000737309128 599199608 /nfs/dbraw/zinc/19/96/08/599199608.db2.gz RCVXKGZTJSQZBB-UHFFFAOYSA-N -1 3 366.406 2.710 20 30 FFEDHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000737309128 599199610 /nfs/dbraw/zinc/19/96/10/599199610.db2.gz RCVXKGZTJSQZBB-UHFFFAOYSA-N -1 3 366.406 2.710 20 30 FFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736245580 599201529 /nfs/dbraw/zinc/20/15/29/599201529.db2.gz SXIGEOUSNAOJAE-SJCJKPOMSA-N -1 3 356.455 2.547 20 30 FFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736245580 599201532 /nfs/dbraw/zinc/20/15/32/599201532.db2.gz SXIGEOUSNAOJAE-SJCJKPOMSA-N -1 3 356.455 2.547 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736244546 599201922 /nfs/dbraw/zinc/20/19/22/599201922.db2.gz JYFKZDKYOYAAIP-ACJLOTCBSA-N -1 3 370.482 2.689 20 30 FFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736244546 599201924 /nfs/dbraw/zinc/20/19/24/599201924.db2.gz JYFKZDKYOYAAIP-ACJLOTCBSA-N -1 3 370.482 2.689 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735409842 599203151 /nfs/dbraw/zinc/20/31/51/599203151.db2.gz MPFKBLSJLWFVRZ-GFCCVEGCSA-N -1 3 353.382 2.733 20 30 FFEDHM C=CCOc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819758658 599203792 /nfs/dbraw/zinc/20/37/92/599203792.db2.gz DLNJZZVEUIHADV-ZDUSSCGKSA-N -1 3 366.377 2.804 20 30 FFEDHM C=CCOc1ccc(OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819758658 599203794 /nfs/dbraw/zinc/20/37/94/599203794.db2.gz DLNJZZVEUIHADV-ZDUSSCGKSA-N -1 3 366.377 2.804 20 30 FFEDHM C[C@H](C#N)COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819856649 607323091 /nfs/dbraw/zinc/32/30/91/607323091.db2.gz JZZVBIFROVJFGA-CYBMUJFWSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@H](C#N)COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819856649 607323092 /nfs/dbraw/zinc/32/30/92/607323092.db2.gz JZZVBIFROVJFGA-CYBMUJFWSA-N -1 3 363.377 2.762 20 30 FFEDHM N#CCSCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737697769 598232253 /nfs/dbraw/zinc/23/22/53/598232253.db2.gz MSPGWRZLFUKJRI-UHFFFAOYSA-N -1 3 366.406 2.854 20 30 FFEDHM N#CCSCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737697769 598232255 /nfs/dbraw/zinc/23/22/55/598232255.db2.gz MSPGWRZLFUKJRI-UHFFFAOYSA-N -1 3 366.406 2.854 20 30 FFEDHM N#Cc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737719533 598320624 /nfs/dbraw/zinc/32/06/24/598320624.db2.gz WBYRBCXZDBSRDO-UHFFFAOYSA-N -1 3 369.841 2.878 20 30 FFEDHM N#Cc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737719533 598320625 /nfs/dbraw/zinc/32/06/25/598320625.db2.gz WBYRBCXZDBSRDO-UHFFFAOYSA-N -1 3 369.841 2.878 20 30 FFEDHM CC(C)Oc1ccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000735915990 598354450 /nfs/dbraw/zinc/35/44/50/598354450.db2.gz XPOHPUGBOXIHIR-UHFFFAOYSA-N -1 3 367.438 2.795 20 30 FFEDHM CC(C)Oc1ccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000735915990 598354454 /nfs/dbraw/zinc/35/44/54/598354454.db2.gz XPOHPUGBOXIHIR-UHFFFAOYSA-N -1 3 367.438 2.795 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1O ZINC000737081587 598378442 /nfs/dbraw/zinc/37/84/42/598378442.db2.gz PDYBDMYVDNSZTO-FNORWQNLSA-N -1 3 365.393 2.533 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1O ZINC000737081587 598378444 /nfs/dbraw/zinc/37/84/44/598378444.db2.gz PDYBDMYVDNSZTO-FNORWQNLSA-N -1 3 365.393 2.533 20 30 FFEDHM C=C1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000735402556 598512688 /nfs/dbraw/zinc/51/26/88/598512688.db2.gz WWEXMKHYRMFRQP-UHFFFAOYSA-N -1 3 365.393 2.831 20 30 FFEDHM C#CCOc1cccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735381545 598514054 /nfs/dbraw/zinc/51/40/54/598514054.db2.gz VNRDGPJUZYGQCZ-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM C#CCOc1cccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381545 598514055 /nfs/dbraw/zinc/51/40/55/598514055.db2.gz VNRDGPJUZYGQCZ-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SC[C@H]2CCCc3ccccc32)nc1N ZINC000737704099 598546864 /nfs/dbraw/zinc/54/68/64/598546864.db2.gz HBCXEBPNSHMNQU-GFCCVEGCSA-N -1 3 363.450 2.928 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SC[C@H]2CCCc3ccccc32)nc1N ZINC000737704099 598546866 /nfs/dbraw/zinc/54/68/66/598546866.db2.gz HBCXEBPNSHMNQU-GFCCVEGCSA-N -1 3 363.450 2.928 20 30 FFEDHM C#CCCCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735375757 598565109 /nfs/dbraw/zinc/56/51/09/598565109.db2.gz RMCZFLWOWARALL-UHFFFAOYSA-N -1 3 352.350 2.609 20 30 FFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000737795564 598585748 /nfs/dbraw/zinc/58/57/48/598585748.db2.gz AOZGIZKAMRAWEE-GQCTYLIASA-N -1 3 361.283 2.882 20 30 FFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000737795564 598585750 /nfs/dbraw/zinc/58/57/50/598585750.db2.gz AOZGIZKAMRAWEE-GQCTYLIASA-N -1 3 361.283 2.882 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000737674556 598591254 /nfs/dbraw/zinc/59/12/54/598591254.db2.gz KMPQJZUAWFZBLW-CYBMUJFWSA-N -1 3 374.191 2.563 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000737674556 598591256 /nfs/dbraw/zinc/59/12/56/598591256.db2.gz KMPQJZUAWFZBLW-CYBMUJFWSA-N -1 3 374.191 2.563 20 30 FFEDHM COc1cccc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)c1OC ZINC000737128726 598674410 /nfs/dbraw/zinc/67/44/10/598674410.db2.gz GVKMFYRIYBTGFL-UHFFFAOYSA-N -1 3 357.345 2.574 20 30 FFEDHM COc1cccc(C=NOCc2ccc(F)cc2-c2nn[n-]n2)c1OC ZINC000737128726 598674411 /nfs/dbraw/zinc/67/44/11/598674411.db2.gz GVKMFYRIYBTGFL-UHFFFAOYSA-N -1 3 357.345 2.574 20 30 FFEDHM C=CC1CCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CC1 ZINC000735403159 598714731 /nfs/dbraw/zinc/71/47/31/598714731.db2.gz QMNMRILHGROLGQ-UHFFFAOYSA-N -1 3 372.498 2.708 20 30 FFEDHM C=CC1CCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1 ZINC000735403159 598714733 /nfs/dbraw/zinc/71/47/33/598714733.db2.gz QMNMRILHGROLGQ-UHFFFAOYSA-N -1 3 372.498 2.708 20 30 FFEDHM C[C@@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735503026 599494158 /nfs/dbraw/zinc/49/41/58/599494158.db2.gz FSBNQQIJUGUMTQ-NSHDSACASA-N -1 3 366.356 2.683 20 30 FFEDHM C[C@@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735503026 599494161 /nfs/dbraw/zinc/49/41/61/599494161.db2.gz FSBNQQIJUGUMTQ-NSHDSACASA-N -1 3 366.356 2.683 20 30 FFEDHM C=CCOCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819759013 599632427 /nfs/dbraw/zinc/63/24/27/599632427.db2.gz KYZGULRYAGHKIU-UHFFFAOYSA-N -1 3 355.320 2.807 20 30 FFEDHM C=CCOCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819759013 599632428 /nfs/dbraw/zinc/63/24/28/599632428.db2.gz KYZGULRYAGHKIU-UHFFFAOYSA-N -1 3 355.320 2.807 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000819743161 599679493 /nfs/dbraw/zinc/67/94/93/599679493.db2.gz DKLIPQQFNRGXFS-HZPDHXFCSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000819743161 599679494 /nfs/dbraw/zinc/67/94/94/599679494.db2.gz DKLIPQQFNRGXFS-HZPDHXFCSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734847 607390501 /nfs/dbraw/zinc/39/05/01/607390501.db2.gz VPGTVTIUFGOEKO-QGZVFWFLSA-N -1 3 369.450 2.853 20 30 FFEDHM C=CCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734847 607390503 /nfs/dbraw/zinc/39/05/03/607390503.db2.gz VPGTVTIUFGOEKO-QGZVFWFLSA-N -1 3 369.450 2.853 20 30 FFEDHM C#CCN1CCC(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000736079004 599873085 /nfs/dbraw/zinc/87/30/85/599873085.db2.gz FPFKOTLFDXSAFE-UHFFFAOYSA-N -1 3 356.447 2.561 20 30 FFEDHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826316187 607432398 /nfs/dbraw/zinc/43/23/98/607432398.db2.gz GUKKKORJAXPLAI-KBPBESRZSA-N -1 3 350.407 2.851 20 30 FFEDHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826316187 607432400 /nfs/dbraw/zinc/43/24/00/607432400.db2.gz GUKKKORJAXPLAI-KBPBESRZSA-N -1 3 350.407 2.851 20 30 FFEDHM C#CCN1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CC1 ZINC000736079850 600392644 /nfs/dbraw/zinc/39/26/44/600392644.db2.gz OEVIUSZRGISSRL-IBGZPJMESA-N -1 3 370.493 2.961 20 30 FFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC(C)(C)CNC(=O)[O-] ZINC000828086006 603627697 /nfs/dbraw/zinc/62/76/97/603627697.db2.gz NCPJRZGUTSBCMM-LBPRGKRZSA-N -1 3 374.466 2.698 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)CC1 ZINC000823480520 604426946 /nfs/dbraw/zinc/42/69/46/604426946.db2.gz FMRDPCXQMSCOKC-HNNXBMFYSA-N -1 3 374.485 2.855 20 30 FFEDHM N#Cc1ccc(CN2CCCN(Cc3ccc(NC(=O)[O-])nc3)CC2)cc1 ZINC000833971339 605464443 /nfs/dbraw/zinc/46/44/43/605464443.db2.gz DHECPSJKYNOXBT-UHFFFAOYSA-N -1 3 365.437 2.751 20 30 FFEDHM Cc1cccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)c1C ZINC000822324091 606204369 /nfs/dbraw/zinc/20/43/69/606204369.db2.gz UVLZTLQTFCGUSP-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM Cc1cccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)c1C ZINC000822324091 606204372 /nfs/dbraw/zinc/20/43/72/606204372.db2.gz UVLZTLQTFCGUSP-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000819697399 606436791 /nfs/dbraw/zinc/43/67/91/606436791.db2.gz DFAJKLGPYKVBLZ-UHFFFAOYSA-N -1 3 363.381 2.541 20 30 FFEDHM N#Cc1c2c(sc1NC(=O)c1cc(-c3nnn[n-]3)cs1)CCCC2 ZINC000822818828 606478595 /nfs/dbraw/zinc/47/85/95/606478595.db2.gz GZIHGVOFFOGJPP-UHFFFAOYSA-N -1 3 356.436 2.992 20 30 FFEDHM N#Cc1c2c(sc1NC(=O)c1cc(-c3nn[n-]n3)cs1)CCCC2 ZINC000822818828 606478597 /nfs/dbraw/zinc/47/85/97/606478597.db2.gz GZIHGVOFFOGJPP-UHFFFAOYSA-N -1 3 356.436 2.992 20 30 FFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000821123771 606598309 /nfs/dbraw/zinc/59/83/09/606598309.db2.gz YATJEHOWDKFACG-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM N#CC1(OC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCC1 ZINC000822802325 606802222 /nfs/dbraw/zinc/80/22/22/606802222.db2.gz ZEXLNKBYYDOYHK-UHFFFAOYSA-N -1 3 362.349 2.657 20 30 FFEDHM N#CC1(OC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCC1 ZINC000822802325 606802223 /nfs/dbraw/zinc/80/22/23/606802223.db2.gz ZEXLNKBYYDOYHK-UHFFFAOYSA-N -1 3 362.349 2.657 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820016496 606850845 /nfs/dbraw/zinc/85/08/45/606850845.db2.gz MVXRFHDZUDVOIX-HNNXBMFYSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820016496 606850846 /nfs/dbraw/zinc/85/08/46/606850846.db2.gz MVXRFHDZUDVOIX-HNNXBMFYSA-N -1 3 364.862 2.667 20 30 FFEDHM N#CC1(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000822800970 606947123 /nfs/dbraw/zinc/94/71/23/606947123.db2.gz CIDRIDIWLXJWFV-UHFFFAOYSA-N -1 3 355.398 2.653 20 30 FFEDHM N#CC1(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000822800970 606947124 /nfs/dbraw/zinc/94/71/24/606947124.db2.gz CIDRIDIWLXJWFV-UHFFFAOYSA-N -1 3 355.398 2.653 20 30 FFEDHM C#CCCCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000819693514 606955561 /nfs/dbraw/zinc/95/55/61/606955561.db2.gz SPVHJOGCEKPMHE-UHFFFAOYSA-N -1 3 365.393 2.572 20 30 FFEDHM C#CCCCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000819693514 606955563 /nfs/dbraw/zinc/95/55/63/606955563.db2.gz SPVHJOGCEKPMHE-UHFFFAOYSA-N -1 3 365.393 2.572 20 30 FFEDHM N#Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822830258 607243840 /nfs/dbraw/zinc/24/38/40/607243840.db2.gz ZNUFJPVPKSRZGW-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822830258 607243841 /nfs/dbraw/zinc/24/38/41/607243841.db2.gz ZNUFJPVPKSRZGW-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824035350 608059561 /nfs/dbraw/zinc/05/95/61/608059561.db2.gz XQPQZXMXIPIJLB-JTQLQIEISA-N -1 3 368.784 2.954 20 30 FFEDHM C[C@@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824035350 608059562 /nfs/dbraw/zinc/05/95/62/608059562.db2.gz XQPQZXMXIPIJLB-JTQLQIEISA-N -1 3 368.784 2.954 20 30 FFEDHM N#Cc1ccc(OCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826386302 608231024 /nfs/dbraw/zinc/23/10/24/608231024.db2.gz YFRCFWNKMVDKCE-UHFFFAOYSA-N -1 3 357.377 2.777 20 30 FFEDHM N#Cc1ccc(OCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826386302 608231025 /nfs/dbraw/zinc/23/10/25/608231025.db2.gz YFRCFWNKMVDKCE-UHFFFAOYSA-N -1 3 357.377 2.777 20 30 FFEDHM O=C(C#Cc1ccccc1)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826396894 608318181 /nfs/dbraw/zinc/31/81/81/608318181.db2.gz NRJVHZDIPKWXNH-UHFFFAOYSA-N -1 3 370.315 2.563 20 30 FFEDHM O=C(C#Cc1ccccc1)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826396894 608318183 /nfs/dbraw/zinc/31/81/83/608318183.db2.gz NRJVHZDIPKWXNH-UHFFFAOYSA-N -1 3 370.315 2.563 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826384683 608480338 /nfs/dbraw/zinc/48/03/38/608480338.db2.gz FLCYLGURZZJKJX-UHFFFAOYSA-N -1 3 370.416 2.597 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384683 608480339 /nfs/dbraw/zinc/48/03/39/608480339.db2.gz FLCYLGURZZJKJX-UHFFFAOYSA-N -1 3 370.416 2.597 20 30 FFEDHM Cc1ccc([N+](=O)[O-])cc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823953502 608536764 /nfs/dbraw/zinc/53/67/64/608536764.db2.gz CTNPFBMMTXWZBC-UHFFFAOYSA-N -1 3 372.776 2.968 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(OCC)n1 ZINC000823915404 608633001 /nfs/dbraw/zinc/63/30/01/608633001.db2.gz XBUIDGVPALSKPH-UHFFFAOYSA-N -1 3 350.426 2.849 20 30 FFEDHM CCCC[C@@H](ON=C(C)C)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825266746 609248800 /nfs/dbraw/zinc/24/88/00/609248800.db2.gz HBQBHEWHHXTOTD-MRXNPFEDSA-N -1 3 358.446 2.796 20 30 FFEDHM CCCC[C@@H](ON=C(C)C)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825266746 609248802 /nfs/dbraw/zinc/24/88/02/609248802.db2.gz HBQBHEWHHXTOTD-MRXNPFEDSA-N -1 3 358.446 2.796 20 30 FFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401368 609273011 /nfs/dbraw/zinc/27/30/11/609273011.db2.gz WOFYWXUDOQFLQW-UTCJRWHESA-N -1 3 357.276 2.949 20 30 FFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401368 609273012 /nfs/dbraw/zinc/27/30/12/609273012.db2.gz WOFYWXUDOQFLQW-UTCJRWHESA-N -1 3 357.276 2.949 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCc1cccc(F)c1 ZINC000826383862 609417685 /nfs/dbraw/zinc/41/76/85/609417685.db2.gz UZEFWDMJGGHIHB-UHFFFAOYSA-N -1 3 355.402 2.580 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCc1cccc(F)c1 ZINC000826383862 609417687 /nfs/dbraw/zinc/41/76/87/609417687.db2.gz UZEFWDMJGGHIHB-UHFFFAOYSA-N -1 3 355.402 2.580 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1cccnc1 ZINC000823909955 609454221 /nfs/dbraw/zinc/45/42/21/609454221.db2.gz UGLYSWQBISWQLR-UHFFFAOYSA-N -1 3 362.437 2.754 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)c1cccnc1 ZINC000823909955 609454222 /nfs/dbraw/zinc/45/42/22/609454222.db2.gz UGLYSWQBISWQLR-UHFFFAOYSA-N -1 3 362.437 2.754 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000826190484 609472035 /nfs/dbraw/zinc/47/20/35/609472035.db2.gz CQIAQEOTUNOXRZ-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000826190484 609472037 /nfs/dbraw/zinc/47/20/37/609472037.db2.gz CQIAQEOTUNOXRZ-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM Cc1c(Cl)cnc(NCCOc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826240154 609559744 /nfs/dbraw/zinc/55/97/44/609559744.db2.gz GAZQYPPWNHKCKJ-UHFFFAOYSA-N -1 3 355.789 2.586 20 30 FFEDHM Cc1c(Cl)cnc(NCCOc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826240154 609559745 /nfs/dbraw/zinc/55/97/45/609559745.db2.gz GAZQYPPWNHKCKJ-UHFFFAOYSA-N -1 3 355.789 2.586 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2CC)ccc1F ZINC000156161971 728844031 /nfs/dbraw/zinc/84/40/31/728844031.db2.gz QVQLROMLEJMVIB-DOMZBBRYSA-N -1 3 354.447 2.599 20 30 FFEDHM CCc1nc(C)c(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000743448263 735298237 /nfs/dbraw/zinc/29/82/37/735298237.db2.gz HITBYCXXYAACRQ-UHFFFAOYSA-N -1 3 351.497 2.900 20 30 FFEDHM Cc1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(Cl)n1 ZINC000898065529 735309079 /nfs/dbraw/zinc/30/90/79/735309079.db2.gz OIAPERCPRYJMDD-UHFFFAOYSA-N -1 3 358.829 2.882 20 30 FFEDHM CC#CCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000744577889 735365167 /nfs/dbraw/zinc/36/51/67/735365167.db2.gz JUKHTSQDLHAIKR-UHFFFAOYSA-N -1 3 362.234 2.614 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@@H]2CC)ccc1F ZINC000744767327 735376405 /nfs/dbraw/zinc/37/64/05/735376405.db2.gz YZLPBKMRFFGKLT-OCCSQVGLSA-N -1 3 354.447 2.551 20 30 FFEDHM Cc1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000007674161 727797357 /nfs/dbraw/zinc/79/73/57/727797357.db2.gz BXLIPCBYPNBKMC-UHFFFAOYSA-N -1 3 358.419 2.592 20 30 FFEDHM Cn1cc(N2CCC[C@H](/N=C/c3cc(Br)ccc3[O-])C2)cn1 ZINC000125196675 728679933 /nfs/dbraw/zinc/67/99/33/728679933.db2.gz QYYDZMQHKNFWPA-PVJNQWLSSA-N -1 3 363.259 2.976 20 30 FFEDHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000135363583 728738031 /nfs/dbraw/zinc/73/80/31/728738031.db2.gz GDAGHKZTOYLHPZ-WEVVVXLNSA-N -1 3 360.366 2.684 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc([O-])cc(Br)c1 ZINC000860200415 730486488 /nfs/dbraw/zinc/48/64/88/730486488.db2.gz BEFRTWUKRCJJLY-NSHDSACASA-N -1 3 368.227 2.901 20 30 FFEDHM CC(C)Sc1cc(Br)ccc1C=NN1CC(=O)[N-]C1=O ZINC000779766667 738482664 /nfs/dbraw/zinc/48/26/64/738482664.db2.gz IEXUFPQQVPIGBF-UHFFFAOYSA-N -1 3 356.245 2.835 20 30 FFEDHM COCC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1ccc(C)o1 ZINC000867066629 731139511 /nfs/dbraw/zinc/13/95/11/731139511.db2.gz YIPIEYPLCOLXKR-HNNXBMFYSA-N -1 3 352.387 2.655 20 30 FFEDHM N#CCCCC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316642 731619000 /nfs/dbraw/zinc/61/90/00/731619000.db2.gz XJYRVQUOQNJTCA-GFCCVEGCSA-N -1 3 353.344 2.879 20 30 FFEDHM COc1cccc(Br)c1CS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000872004892 731716722 /nfs/dbraw/zinc/71/67/22/731716722.db2.gz OMMIOBDKMJJKQB-AWEZNQCLSA-N -1 3 373.272 2.569 20 30 FFEDHM C[C@H](C#N)Oc1ccc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000877775552 732427534 /nfs/dbraw/zinc/42/75/34/732427534.db2.gz NHCZSNHHMWCBHF-MLGOLLRUSA-N -1 3 355.360 2.620 20 30 FFEDHM O=C(Nc1ccccc1SCC(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000878115114 732484994 /nfs/dbraw/zinc/48/49/94/732484994.db2.gz XAMNKROQJSFIKD-SNVBAGLBSA-N -1 3 363.361 2.843 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H](CC)OCC)no2)ccc1F ZINC000665033070 732663383 /nfs/dbraw/zinc/66/33/83/732663383.db2.gz PJJLHMMYZQGCHN-CYBMUJFWSA-N -1 3 369.418 2.828 20 30 FFEDHM Cc1nc(NC(=O)N[C@@H]2CCCN([O-])C2=O)sc1Cc1ccccc1 ZINC000879472954 732707895 /nfs/dbraw/zinc/70/78/95/732707895.db2.gz PEYXZKVQYAKLKH-CYBMUJFWSA-N -1 3 360.439 2.544 20 30 FFEDHM O=C(Nc1ccc2nc(C(F)F)sc2c1)N[C@H]1CCCN([O-])C1=O ZINC000879550962 732720419 /nfs/dbraw/zinc/72/04/19/732720419.db2.gz WHZOKKMWMALBOI-VIFPVBQESA-N -1 3 356.354 2.736 20 30 FFEDHM CCc1ccc(Br)c(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000880955197 732997150 /nfs/dbraw/zinc/99/71/50/732997150.db2.gz QQFAPBCUWPVJJY-NSHDSACASA-N -1 3 356.220 2.513 20 30 FFEDHM CC(C)(C)n1cc(C=NN2CC(=O)[N-]C2=O)c(-c2ccccc2Cl)n1 ZINC000731152280 734668565 /nfs/dbraw/zinc/66/85/65/734668565.db2.gz ZAAWSEXMCOCKKK-UHFFFAOYSA-N -1 3 359.817 2.844 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2cccc(I)c2)c1[O-] ZINC000747707026 735584023 /nfs/dbraw/zinc/58/40/23/735584023.db2.gz BYUGSBADFCCGAB-UHFFFAOYSA-N -1 3 368.174 2.943 20 30 FFEDHM CCCCN([O-])C(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C ZINC000900682675 735679289 /nfs/dbraw/zinc/67/92/89/735679289.db2.gz NUKMVMVIQZDRCV-GFCCVEGCSA-N -1 3 352.435 2.874 20 30 FFEDHM COc1cc(C=Nn2nnc3c2CCCC3)cc(Br)c1[O-] ZINC000901333323 735768150 /nfs/dbraw/zinc/76/81/50/735768150.db2.gz BOEGBTWNHMWTBT-UHFFFAOYSA-N -1 3 351.204 2.516 20 30 FFEDHM C=CCCS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751292107 735862082 /nfs/dbraw/zinc/86/20/82/735862082.db2.gz MGOVSBRIXVDIAQ-GFCCVEGCSA-N -1 3 357.781 2.585 20 30 FFEDHM C=C(Cl)C[C@H](NCc1cc2c(cc1Br)OCO2)C(=O)[O-] ZINC000901936898 735873788 /nfs/dbraw/zinc/87/37/88/735873788.db2.gz FWENQCOXMMKWSS-JTQLQIEISA-N -1 3 362.607 2.863 20 30 FFEDHM O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N([O-])Cc1ccccc1Cl ZINC000904187076 736231944 /nfs/dbraw/zinc/23/19/44/736231944.db2.gz DVXORJQSMNIZAA-CQSZACIVSA-N -1 3 359.813 2.502 20 30 FFEDHM [O-]c1ccc(C=NNC(=S)Nc2cccc(Br)c2)nc1 ZINC000755625427 736266338 /nfs/dbraw/zinc/26/63/38/736266338.db2.gz OTNCBPVLIDMXLO-UHFFFAOYSA-N -1 3 351.229 2.870 20 30 FFEDHM [O-]c1ccc(Br)cc1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761859856 736766617 /nfs/dbraw/zinc/76/66/17/736766617.db2.gz BSRBYIGZHFGQDT-UHFFFAOYSA-N -1 3 359.187 2.576 20 30 FFEDHM CC(C)(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000908403433 736771213 /nfs/dbraw/zinc/77/12/13/736771213.db2.gz OZTRUBUXPACBFL-ZDUSSCGKSA-N -1 3 369.259 2.514 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)CC1 ZINC000908946235 736862007 /nfs/dbraw/zinc/86/20/07/736862007.db2.gz QQARDCGQJBFVLU-KRWDZBQOSA-N -1 3 351.491 2.750 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)c1ccc(C)o1 ZINC000914214607 737530839 /nfs/dbraw/zinc/53/08/39/737530839.db2.gz NCXAHYDSQIFUGC-KRWDZBQOSA-N -1 3 362.451 2.884 20 30 FFEDHM Cc1ncc(CO)c(C=NNc2ccc(Br)c(F)c2)c1[O-] ZINC000769828424 737571471 /nfs/dbraw/zinc/57/14/71/737571471.db2.gz FITUVDJUAMJLSL-UHFFFAOYSA-N -1 3 354.179 2.936 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@@H]2CC)ccc1F ZINC000915176719 737611926 /nfs/dbraw/zinc/61/19/26/737611926.db2.gz UEVDFEBYEXBOFL-BBRMVZONSA-N -1 3 368.474 2.989 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2CC)ccc1F ZINC000915176723 737612084 /nfs/dbraw/zinc/61/20/84/737612084.db2.gz UEVDFEBYEXBOFL-CZUORRHYSA-N -1 3 368.474 2.989 20 30 FFEDHM CC(=NNC(=S)NC[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000916311745 737695802 /nfs/dbraw/zinc/69/58/02/737695802.db2.gz QKDRUPALLSPNAI-LLVKDONJSA-N -1 3 372.288 2.522 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(F)c(F)c1 ZINC000773383733 737901084 /nfs/dbraw/zinc/90/10/84/737901084.db2.gz ACXRWXQSXUELBJ-OAHLLOKOSA-N -1 3 370.352 2.642 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000920384365 737904520 /nfs/dbraw/zinc/90/45/20/737904520.db2.gz ZTMOUCWQYYWLIZ-UHFFFAOYSA-N -1 3 354.435 2.716 20 30 FFEDHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OC ZINC000921383781 737973856 /nfs/dbraw/zinc/97/38/56/737973856.db2.gz BWYFXWXHJZDFSZ-MRXNPFEDSA-N -1 3 362.451 2.552 20 30 FFEDHM CON=CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000774354794 737983574 /nfs/dbraw/zinc/98/35/74/737983574.db2.gz MVSUPUSJXBABCI-UHFFFAOYSA-N -1 3 365.386 2.506 20 30 FFEDHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000775935317 738144653 /nfs/dbraw/zinc/14/46/53/738144653.db2.gz KCIZFRBZMDESJT-NSHDSACASA-N -1 3 350.802 2.934 20 30 FFEDHM COc1cc(C=NN[C@@H](CO)c2ccccc2)cc(Br)c1[O-] ZINC000788456437 739246589 /nfs/dbraw/zinc/24/65/89/739246589.db2.gz VJMYSSJAPMXILU-AWEZNQCLSA-N -1 3 365.227 2.820 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(C(F)F)cc2)cc1 ZINC000794502157 739898679 /nfs/dbraw/zinc/89/86/79/739898679.db2.gz LDZFQEMVXSETEY-UHFFFAOYSA-N -1 3 369.349 2.986 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCC2(C#N)CC2)cc(C(F)(F)F)c1 ZINC000795779946 740062986 /nfs/dbraw/zinc/06/29/86/740062986.db2.gz AIAZLKSJSMGPCV-UHFFFAOYSA-N -1 3 362.329 2.537 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000810100892 741386039 /nfs/dbraw/zinc/38/60/39/741386039.db2.gz XAMPLFUTCUBSGY-NSHDSACASA-N -1 3 356.812 2.963 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000811043222 741475067 /nfs/dbraw/zinc/47/50/67/741475067.db2.gz YAUPNMBJRXNPRU-IINYFYTJSA-N -1 3 365.817 2.534 20 30 FFEDHM Cc1cccc(S(=O)(=O)CCCOC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811184927 741491681 /nfs/dbraw/zinc/49/16/81/741491681.db2.gz VUEWJWQNVDBZGU-UHFFFAOYSA-N -1 3 359.403 2.593 20 30 FFEDHM CCc1nocc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000814741817 741861178 /nfs/dbraw/zinc/86/11/78/741861178.db2.gz PZHBQSUKQUPQDC-AWEZNQCLSA-N -1 3 357.395 2.512 20 30 FFEDHM CCOc1ccc2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCO2 ZINC000814816722 741867417 /nfs/dbraw/zinc/86/74/17/741867417.db2.gz SGYPIMHYNOJKEK-UHFFFAOYSA-N -1 3 360.435 2.692 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000815149300 741907549 /nfs/dbraw/zinc/90/75/49/741907549.db2.gz IGMOLYNNVCOLGS-LLVKDONJSA-N -1 3 362.170 2.991 20 30 FFEDHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820144546 742467571 /nfs/dbraw/zinc/46/75/71/742467571.db2.gz XMPWYFPHYPDDOC-SNVBAGLBSA-N -1 3 370.192 2.677 20 30 FFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)SCC(=O)N2 ZINC000826481733 743388361 /nfs/dbraw/zinc/38/83/61/743388361.db2.gz HBENYZPVRLSTCW-PLNGDYQASA-N -1 3 369.431 2.869 20 30 FFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)SCC(=O)N2 ZINC000826481733 743388367 /nfs/dbraw/zinc/38/83/67/743388367.db2.gz HBENYZPVRLSTCW-PLNGDYQASA-N -1 3 369.431 2.869 20 30 FFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000832417535 745695307 /nfs/dbraw/zinc/69/53/07/745695307.db2.gz HLRADUBYRUYXAE-OLZOCXBDSA-N -1 3 358.182 2.838 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C3CCC3)CCC2)ccc1F ZINC000838182424 746590927 /nfs/dbraw/zinc/59/09/27/746590927.db2.gz HMYKUKDYCIFKBA-UHFFFAOYSA-N -1 3 366.458 2.743 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C)CC=CCC2)ccc1F ZINC000838314275 746617463 /nfs/dbraw/zinc/61/74/63/746617463.db2.gz BDOSVCBFZZYVNH-QGZVFWFLSA-N -1 3 352.431 2.519 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn(C2CCC2)nn1 ZINC000842689843 747660170 /nfs/dbraw/zinc/66/01/70/747660170.db2.gz IHSCPFNDYDXISM-NSHDSACASA-N -1 3 361.764 2.757 20 30 FFEDHM CCCCCCCS(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000851877655 749715388 /nfs/dbraw/zinc/71/53/88/749715388.db2.gz NKRDFSMGVZBPER-UHFFFAOYSA-N -1 3 363.520 2.767 20 30 FFEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCCC[C@H]1CC(=O)[O-] ZINC001601058503 970924854 /nfs/dbraw/zinc/92/48/54/970924854.db2.gz MTYBVZGBKMYXHE-LSDHHAIUSA-N -1 3 364.405 2.553 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573292927 946943273 /nfs/dbraw/zinc/94/32/73/946943273.db2.gz HFWUUOGGSYZEAU-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573292927 946943285 /nfs/dbraw/zinc/94/32/85/946943285.db2.gz HFWUUOGGSYZEAU-QWHCGFSZSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573293744 946968153 /nfs/dbraw/zinc/96/81/53/946968153.db2.gz IJUIBUXRKCSLGK-SHTZXODSSA-N -1 3 369.473 2.766 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573293744 946968161 /nfs/dbraw/zinc/96/81/61/946968161.db2.gz IJUIBUXRKCSLGK-SHTZXODSSA-N -1 3 369.473 2.766 20 30 FFEDHM C=C1CCN(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)n2CC2CC2)CC1 ZINC001573295513 947019809 /nfs/dbraw/zinc/01/98/09/947019809.db2.gz FBBIDKRDRGVNDZ-UHFFFAOYSA-N -1 3 362.441 2.692 20 30 FFEDHM C=C1CCN(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)n2CC2CC2)CC1 ZINC001573295513 947019821 /nfs/dbraw/zinc/01/98/21/947019821.db2.gz FBBIDKRDRGVNDZ-UHFFFAOYSA-N -1 3 362.441 2.692 20 30 FFEDHM C=C(C)C[C@@H](Nc1cc(Br)ccc1-c1nnn[n-]1)C(=O)OC ZINC001573300832 947122803 /nfs/dbraw/zinc/12/28/03/947122803.db2.gz UVCLONIAWWZINO-GFCCVEGCSA-N -1 3 366.219 2.549 20 30 FFEDHM C=C(C)C[C@@H](Nc1cc(Br)ccc1-c1nn[n-]n1)C(=O)OC ZINC001573300832 947122805 /nfs/dbraw/zinc/12/28/05/947122805.db2.gz UVCLONIAWWZINO-GFCCVEGCSA-N -1 3 366.219 2.549 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573306484 947171746 /nfs/dbraw/zinc/17/17/46/947171746.db2.gz KUOLUGPAOOBOLB-SCLBCKFNSA-N -1 3 374.514 2.611 20 30 FFEDHM C=CC1(CC(=O)NC[C@H](C)Nc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001573314559 947234899 /nfs/dbraw/zinc/23/48/99/947234899.db2.gz CXSRSAZJQRMWJO-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC1(CC(=O)NC[C@H](C)Nc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001573314559 947234910 /nfs/dbraw/zinc/23/49/10/947234910.db2.gz CXSRSAZJQRMWJO-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573315058 947243234 /nfs/dbraw/zinc/24/32/34/947243234.db2.gz JPEWBWLLYHDHRJ-NFOMZHRRSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573315058 947243245 /nfs/dbraw/zinc/24/32/45/947243245.db2.gz JPEWBWLLYHDHRJ-NFOMZHRRSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573319503 947332110 /nfs/dbraw/zinc/33/21/10/947332110.db2.gz OSMWOVDPFWNHQK-CYBMUJFWSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573319503 947332123 /nfs/dbraw/zinc/33/21/23/947332123.db2.gz OSMWOVDPFWNHQK-CYBMUJFWSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573327213 947382488 /nfs/dbraw/zinc/38/24/88/947382488.db2.gz ADLUYACVAFUPQN-KBPBESRZSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573327213 947382504 /nfs/dbraw/zinc/38/25/04/947382504.db2.gz ADLUYACVAFUPQN-KBPBESRZSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC001573334071 947446264 /nfs/dbraw/zinc/44/62/64/947446264.db2.gz JICUQIUMPKSBMD-GFCCVEGCSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573334265 947451589 /nfs/dbraw/zinc/45/15/89/947451589.db2.gz LFTBJUPJKRXVAT-WFASDCNBSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CCCCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573334265 947451600 /nfs/dbraw/zinc/45/16/00/947451600.db2.gz LFTBJUPJKRXVAT-WFASDCNBSA-N -1 3 358.421 2.621 20 30 FFEDHM COc1ccc(C=C2COc3c(F)ccc(F)c3C2=O)cc1-c1nnn[n-]1 ZINC000826190931 947585503 /nfs/dbraw/zinc/58/55/03/947585503.db2.gz RIEVXPREYCPCTP-UXBLZVDNSA-N -1 3 370.315 2.812 20 30 FFEDHM COc1ccc(C=C2COc3c(F)ccc(F)c3C2=O)cc1-c1nn[n-]n1 ZINC000826190931 947585511 /nfs/dbraw/zinc/58/55/11/947585511.db2.gz RIEVXPREYCPCTP-UXBLZVDNSA-N -1 3 370.315 2.812 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001575511693 949131724 /nfs/dbraw/zinc/13/17/24/949131724.db2.gz KVFHNUBLLCFKRT-NSHDSACASA-N -1 3 367.438 2.702 20 30 FFEDHM CC(C)(C)C#CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001573792747 949264593 /nfs/dbraw/zinc/26/45/93/949264593.db2.gz DBSANQMFBBTDDS-UHFFFAOYSA-N -1 3 369.816 2.694 20 30 FFEDHM CC(C)(C)C#CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001573792747 949264616 /nfs/dbraw/zinc/26/46/16/949264616.db2.gz DBSANQMFBBTDDS-UHFFFAOYSA-N -1 3 369.816 2.694 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001594298484 957886862 /nfs/dbraw/zinc/88/68/62/957886862.db2.gz QMOLMDZKUDOLRA-AOIWGVFYSA-N -1 3 371.481 2.981 20 30 FFEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000124767814 972361571 /nfs/dbraw/zinc/36/15/71/972361571.db2.gz SHNFWFCBLNLQSJ-KRWDZBQOSA-N -1 3 353.334 2.509 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)Cc1ccccc1 ZINC000785115361 966216933 /nfs/dbraw/zinc/21/69/33/966216933.db2.gz FVVULVYZNQWKCI-UHFFFAOYSA-N -1 3 352.390 2.563 20 30 FFEDHM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(OCC)cc1[O-] ZINC001271003092 967937504 /nfs/dbraw/zinc/93/75/04/967937504.db2.gz ZFPYNNBHTOVHFF-FQEVSTJZSA-N -1 3 358.438 2.574 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)COc1ccccc1 ZINC000066521240 969426026 /nfs/dbraw/zinc/42/60/26/969426026.db2.gz UHPDWOQFMPCZJU-ZDUSSCGKSA-N -1 3 354.406 2.807 20 30 FFEDHM C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000893770679 977547267 /nfs/dbraw/zinc/54/72/67/977547267.db2.gz WQRNKCSPGIJTOB-SJORKVTESA-N -1 3 367.453 2.768 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccccc1F ZINC000126376540 1014494605 /nfs/dbraw/zinc/49/46/05/1014494605.db2.gz HWPYJUDLMRVKDF-ZDUSSCGKSA-N -1 3 363.352 2.676 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000909000732 981591219 /nfs/dbraw/zinc/59/12/19/981591219.db2.gz OZKRGHBFLYLVCJ-SZMVWBNQSA-N -1 3 359.470 2.758 20 30 FFEDHM CCN1CCN(c2ccc(Nc3ccc(C(=O)[O-])nc3C#N)c(C)c2)CC1 ZINC001596442603 984138187 /nfs/dbraw/zinc/13/81/87/984138187.db2.gz YNIFNRUNFVWEHN-UHFFFAOYSA-N -1 3 365.437 2.845 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1F ZINC000045263452 984416647 /nfs/dbraw/zinc/41/66/47/984416647.db2.gz WEDKVEGUMOIPDE-CYBMUJFWSA-N -1 3 374.437 2.881 20 30 FFEDHM COCc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)o1 ZINC000764661413 984618220 /nfs/dbraw/zinc/61/82/20/984618220.db2.gz YWEXEMFEGVTHSI-OAHLLOKOSA-N -1 3 372.406 2.701 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000172592250 985605333 /nfs/dbraw/zinc/60/53/33/985605333.db2.gz KHXNMMPLDZXVJJ-OAHLLOKOSA-N -1 3 371.462 2.893 20 30 FFEDHM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC001594524949 986030217 /nfs/dbraw/zinc/03/02/17/986030217.db2.gz GAWRIOHBNOBBMI-LBPRGKRZSA-N -1 3 355.360 2.558 20 30 FFEDHM COC(=O)c1ccc([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000914896684 988036706 /nfs/dbraw/zinc/03/67/06/988036706.db2.gz BGUQTBROJCIUCL-LBPRGKRZSA-N -1 3 372.377 2.892 20 30 FFEDHM COc1ccc(CC(=O)[N-]OCCCOc2cccc(C#N)c2)cc1OC ZINC000763188713 989192956 /nfs/dbraw/zinc/19/29/56/989192956.db2.gz VHDTTYQLIGCOBR-UHFFFAOYSA-N -1 3 370.405 2.635 20 30 FFEDHM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916245092 989767772 /nfs/dbraw/zinc/76/77/72/989767772.db2.gz UHFRSYLURAJQPA-UHFFFAOYSA-N -1 3 370.409 2.969 20 30 FFEDHM N#Cc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1 ZINC000916321198 989777683 /nfs/dbraw/zinc/77/76/83/989777683.db2.gz UOBWGJSFLJJMQA-INIZCTEOSA-N -1 3 363.402 2.833 20 30 FFEDHM CN1c2ccccc2N(C)C1=C1C(=N)N(Cc2ccc([O-])c(F)c2)CC1=O ZINC000154005397 989805420 /nfs/dbraw/zinc/80/54/20/989805420.db2.gz GQPCJYRYZHYGEA-UHFFFAOYSA-N -1 3 366.396 2.691 20 30 FFEDHM CCCc1c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1cccc(C)c1 ZINC000879387348 1015507205 /nfs/dbraw/zinc/50/72/05/1015507205.db2.gz LYVOYZKGLQLYNX-OAHLLOKOSA-N -1 3 371.441 2.635 20 30 FFEDHM CN(C)C(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001598143574 990604500 /nfs/dbraw/zinc/60/45/00/990604500.db2.gz BDLWPPPXJOXERN-QGZVFWFLSA-N -1 3 352.394 2.567 20 30 FFEDHM COc1cc(CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000809769687 994596498 /nfs/dbraw/zinc/59/64/98/994596498.db2.gz QTXWSDLISIZTDV-MKBNYLNASA-N -1 3 369.387 2.844 20 30 FFEDHM CCc1noc(-c2ccc(CC/N=C/c3c([O-])c(C)ncc3CO)cc2)n1 ZINC000727685673 995918060 /nfs/dbraw/zinc/91/80/60/995918060.db2.gz WNPDUSWZBJMPDV-SRZZPIQSSA-N -1 3 366.421 2.862 20 30 FFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000824154286 996817789 /nfs/dbraw/zinc/81/77/89/996817789.db2.gz MEVNUIAVUKVFGC-UHFFFAOYSA-N -1 3 363.339 2.912 20 30 FFEDHM COc1cc(CN=Nc2cnn(C)c2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599401182 997217315 /nfs/dbraw/zinc/21/73/15/997217315.db2.gz ZMLCMLPJRFYJEE-UHFFFAOYSA-N -1 3 370.365 2.745 20 30 FFEDHM COc1ccc([C@H](CNc2ccc(C(=O)[O-])nc2C#N)N2CCCC2)cc1 ZINC001599517252 997411901 /nfs/dbraw/zinc/41/19/01/997411901.db2.gz SPVPLEZGQWYUPV-IBGZPJMESA-N -1 3 366.421 2.909 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1noc2c1CCCC2 ZINC000731238933 997756070 /nfs/dbraw/zinc/75/60/70/997756070.db2.gz FIUXLFKJSYBWSJ-UHFFFAOYSA-N -1 3 355.394 2.819 20 30 FFEDHM Cc1cc(N(CCC#N)C(=O)COC(=O)c2cncc([O-])c2)ccc1Cl ZINC000731914166 998335595 /nfs/dbraw/zinc/33/55/95/998335595.db2.gz AHHHYYUHQQEXLV-UHFFFAOYSA-N -1 3 373.796 2.853 20 30 FFEDHM CCc1noc(CCCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)n1 ZINC000845837698 998670446 /nfs/dbraw/zinc/67/04/46/998670446.db2.gz ITHZERLFKIGLPC-OAHLLOKOSA-N -1 3 351.406 2.964 20 30 FFEDHM Cc1ccc2[nH]cc(C=N[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000735614382 999456051 /nfs/dbraw/zinc/45/60/51/999456051.db2.gz WFAUKCQEPVFTHI-UHFFFAOYSA-N -1 3 372.406 2.838 20 30 FFEDHM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1 ZINC000735592942 999457553 /nfs/dbraw/zinc/45/75/53/999457553.db2.gz FRJQOCNJAGHWQI-MRXNPFEDSA-N -1 3 359.389 2.791 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1Cc2cc(F)ccc2O1 ZINC000740595165 999678752 /nfs/dbraw/zinc/67/87/52/999678752.db2.gz WWHSLHXAOQQOKC-OAHLLOKOSA-N -1 3 370.380 2.894 20 30 FFEDHM CC[C@H](C)Oc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)ccc1OC ZINC000769808980 1000608771 /nfs/dbraw/zinc/60/87/71/1000608771.db2.gz QRFRHBCLAXSRRF-NSHDSACASA-N -1 3 370.413 2.701 20 30 FFEDHM CC(C)(C)OC(=O)c1cccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC000770112243 1000681672 /nfs/dbraw/zinc/68/16/72/1000681672.db2.gz ZVERJNKAJPYVCT-HNNXBMFYSA-N -1 3 365.389 2.998 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)C1=O ZINC001276200530 1016526767 /nfs/dbraw/zinc/52/67/67/1016526767.db2.gz ZJGYPACENLXRPI-FQEVSTJZSA-N -1 3 374.868 2.876 20 30 FFEDHM O=C([N-][C@H](CO)C(F)(F)F)[C@@H](c1c[nH]c2cc(F)ccc21)C(F)(F)F ZINC001183514908 1002289064 /nfs/dbraw/zinc/28/90/64/1002289064.db2.gz VLRKKRLLWKHXPX-GHMZBOCLSA-N -1 3 372.240 2.992 20 30 FFEDHM N#Cc1cc(NC(=O)c2nc(C3CC3)ncc2Br)ccc1[O-] ZINC001195978117 1003623097 /nfs/dbraw/zinc/62/30/97/1003623097.db2.gz BBMSUHAUYQICRD-UHFFFAOYSA-N -1 3 359.183 2.946 20 30 FFEDHM CC(=O)Nc1cccc(-c2cc(C(=O)Nc3ccc([O-])c(C#N)c3)n[nH]2)c1 ZINC001191389004 1003792002 /nfs/dbraw/zinc/79/20/02/1003792002.db2.gz SYXHETCKQGSPAK-UHFFFAOYSA-N -1 3 361.361 2.865 20 30 FFEDHM CSc1ncc(C(=O)N([O-])C(=N)c2ccccc2N)c(C(F)(F)F)n1 ZINC001192662967 1004243662 /nfs/dbraw/zinc/24/36/62/1004243662.db2.gz MNAGSXMQRJVWOC-UHFFFAOYSA-N -1 3 371.344 2.656 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(N2CCC(F)(F)CC2)c(F)c1 ZINC001193161320 1004394126 /nfs/dbraw/zinc/39/41/26/1004394126.db2.gz OECQVILPZIVJEB-SECBINFHSA-N -1 3 365.352 2.854 20 30 FFEDHM N#Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193163230 1004395300 /nfs/dbraw/zinc/39/53/00/1004395300.db2.gz TYWQEUKZEGSZCD-CYBMUJFWSA-N -1 3 358.195 2.839 20 30 FFEDHM Cc1ccc(C(=O)Nc2ncccc2[O-])cc1C#Cc1cnc2cccnn12 ZINC001197911894 1004422880 /nfs/dbraw/zinc/42/28/80/1004422880.db2.gz XVVCLEZAISNZAQ-UHFFFAOYSA-N -1 3 369.384 2.790 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nn1 ZINC001193476389 1004491445 /nfs/dbraw/zinc/49/14/45/1004491445.db2.gz RQJUDIPDCGQQOF-UHFFFAOYSA-N -1 3 361.254 2.640 20 30 FFEDHM Cc1cccc(Oc2ncccc2NC(=O)N[C@H]2CCCN([O-])C2=O)c1C ZINC001198675677 1004707010 /nfs/dbraw/zinc/70/70/10/1004707010.db2.gz SGIFVIONRGTNMZ-HNNXBMFYSA-N -1 3 370.409 2.992 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)N=Nc3nc[nH]n3)cc2)cc1 ZINC000807998849 1004734776 /nfs/dbraw/zinc/73/47/76/1004734776.db2.gz SFEWVVCXWCUFIP-UHFFFAOYSA-N -1 3 370.438 2.750 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)c2ccc(C#CBr)cc2)[n-]1 ZINC001194797414 1004812188 /nfs/dbraw/zinc/81/21/88/1004812188.db2.gz LKQVGRXCVXKRQO-UHFFFAOYSA-N -1 3 362.183 2.543 20 30 FFEDHM CCOC(=O)c1nc(NC(=O)c2ccc(C#CBr)cc2)c[n-]1 ZINC001194797414 1004812189 /nfs/dbraw/zinc/81/21/89/1004812189.db2.gz LKQVGRXCVXKRQO-UHFFFAOYSA-N -1 3 362.183 2.543 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(NCC(C)C)ncn1 ZINC001199443973 1004945148 /nfs/dbraw/zinc/94/51/48/1004945148.db2.gz WVGDFCQVPFENJD-UHFFFAOYSA-N -1 3 359.411 2.517 20 30 FFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)n1 ZINC001195418101 1004955472 /nfs/dbraw/zinc/95/54/72/1004955472.db2.gz NYEFOXVFXAZDOS-UHFFFAOYSA-N -1 3 365.333 2.651 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3nccn3c2)c(C)c1[O-] ZINC001201281816 1005187318 /nfs/dbraw/zinc/18/73/18/1005187318.db2.gz SDPDFJYAOKFUGH-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000776273009 1005338835 /nfs/dbraw/zinc/33/88/35/1005338835.db2.gz AKHCNQYHRBMRAD-JTQLQIEISA-N -1 3 369.764 2.973 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001489879744 1005556025 /nfs/dbraw/zinc/55/60/25/1005556025.db2.gz IYDIHHQQSFENOE-MNVSYLFESA-N -1 3 369.469 2.575 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)c2c(c1)OCCCO2 ZINC000109481895 1005835289 /nfs/dbraw/zinc/83/52/89/1005835289.db2.gz ORJIRVJSSFLBJC-LBPRGKRZSA-N -1 3 371.780 2.857 20 30 FFEDHM CCO[C@H]1C[C@@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000130228532 1006522395 /nfs/dbraw/zinc/52/23/95/1006522395.db2.gz GEBQPOMFJUKIHE-DLBZAZTESA-N -1 3 358.438 2.687 20 30 FFEDHM Cc1cccc([O-])c1C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001188660004 1006654895 /nfs/dbraw/zinc/65/48/95/1006654895.db2.gz RRCVSTATGPNRDF-UHFFFAOYSA-N -1 3 363.417 2.607 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc3c2[N-]C(=O)C3=O)ccc1N1CCCCC1 ZINC001152457658 1032171296 /nfs/dbraw/zinc/17/12/96/1032171296.db2.gz XYVJXUCVISWNEY-UHFFFAOYSA-N -1 3 374.400 2.936 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(Cl)nc(Cl)c2)c1 ZINC001190661310 1007722122 /nfs/dbraw/zinc/72/21/22/1007722122.db2.gz SCCLWJKDHQKVOS-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CC2)c1 ZINC001190672169 1007734586 /nfs/dbraw/zinc/73/45/86/1007734586.db2.gz ZSAVHAXLNOBKAJ-UHFFFAOYSA-N -1 3 352.337 2.943 20 30 FFEDHM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccc(=O)[n-]c1Cl)CC2 ZINC001190908142 1007844050 /nfs/dbraw/zinc/84/40/50/1007844050.db2.gz KTYYQOOGSRFCAF-SFHVURJKSA-N -1 3 363.845 2.614 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000820476889 1008339197 /nfs/dbraw/zinc/33/91/97/1008339197.db2.gz RDNXNQBEBVXAJL-IRXDYDNUSA-N -1 3 374.824 2.957 20 30 FFEDHM C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1c([O-])cccc1F ZINC000886598473 1008761926 /nfs/dbraw/zinc/76/19/26/1008761926.db2.gz BJPIXBRHHNPLQR-CXAGYDPISA-N -1 3 353.397 2.855 20 30 FFEDHM C=CCCCN(CC)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC001180032715 1009537336 /nfs/dbraw/zinc/53/73/36/1009537336.db2.gz OXQRTDUQUHGLMU-CYBMUJFWSA-N -1 3 373.906 2.607 20 30 FFEDHM C=CCN1CC[C@@]2(CCN(C(=O)c3ccc([O-])cc3C(F)(F)F)C2)C1=O ZINC001274202479 1009591219 /nfs/dbraw/zinc/59/12/19/1009591219.db2.gz CTAGBCFTJAZTDP-KRWDZBQOSA-N -1 3 368.355 2.662 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000862568718 1009885057 /nfs/dbraw/zinc/88/50/57/1009885057.db2.gz GHAQRXFCSWNRGN-NSHDSACASA-N -1 3 364.323 2.912 20 30 FFEDHM C=C(CC)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001299354095 1011581994 /nfs/dbraw/zinc/58/19/94/1011581994.db2.gz OQQYWUHXGITVRE-UHFFFAOYSA-N -1 3 351.403 2.651 20 30 FFEDHM COC(=O)c1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1C ZINC000870163127 1012226881 /nfs/dbraw/zinc/22/68/81/1012226881.db2.gz UIGPYUIYLFYXER-OAHLLOKOSA-N -1 3 352.394 2.590 20 30 FFEDHM CCOc1cc2c(cc1C/N=C/c1c([O-])c(C)ncc1CO)O[C@@H](C)C2 ZINC000005111120 1012575008 /nfs/dbraw/zinc/57/50/08/1012575008.db2.gz GTLPRHHJUWNDLY-SQWLXVSWSA-N -1 3 356.422 2.929 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccn1)C1CC1 ZINC000928606100 1019038389 /nfs/dbraw/zinc/03/83/89/1019038389.db2.gz FLUSKHZZVDZXSL-IBGZPJMESA-N -1 3 350.422 2.871 20 30 FFEDHM N#Cc1ccccc1N1CCC(NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000750049556 1021272124 /nfs/dbraw/zinc/27/21/24/1021272124.db2.gz DEACFVPALGCWRE-UHFFFAOYSA-N -1 3 372.428 2.799 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000935713926 1021836701 /nfs/dbraw/zinc/83/67/01/1021836701.db2.gz BVCKKQQIALMIND-CYBMUJFWSA-N -1 3 356.426 2.867 20 30 FFEDHM C=C[C@H](CC)CC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000935713926 1021836716 /nfs/dbraw/zinc/83/67/16/1021836716.db2.gz BVCKKQQIALMIND-CYBMUJFWSA-N -1 3 356.426 2.867 20 30 FFEDHM O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1O[C@H]1CNCC1(F)F ZINC001218235245 1033063010 /nfs/dbraw/zinc/06/30/10/1033063010.db2.gz KFHSHFISUYJEHD-QYDWLILUSA-N -1 3 361.344 2.980 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001122490782 1023301939 /nfs/dbraw/zinc/30/19/39/1023301939.db2.gz UOQWMPOOOKNYNH-SECBINFHSA-N -1 3 357.796 2.917 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001122490782 1023301947 /nfs/dbraw/zinc/30/19/47/1023301947.db2.gz UOQWMPOOOKNYNH-SECBINFHSA-N -1 3 357.796 2.917 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ncc(C#N)c4ccsc43)C2)n1 ZINC001120875592 1023505825 /nfs/dbraw/zinc/50/58/25/1023505825.db2.gz XJNTZEKYGDMGLQ-LBPRGKRZSA-N -1 3 352.423 2.663 20 30 FFEDHM C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc([O-])c(F)c2)C1=O ZINC000755608066 1023614503 /nfs/dbraw/zinc/61/45/03/1023614503.db2.gz ICHZLJFPXSNHSR-LJQANCHMSA-N -1 3 355.369 2.809 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC([C@@H]2CCCCO2)CC1 ZINC001121545225 1023839695 /nfs/dbraw/zinc/83/96/95/1023839695.db2.gz AGAMNQFVTYJDNG-HNNXBMFYSA-N -1 3 359.430 2.610 20 30 FFEDHM CCOC(=O)Nc1ccc(NC(=O)C=Cc2cncc([O-])c2)cc1C#N ZINC000779677372 1024415626 /nfs/dbraw/zinc/41/56/26/1024415626.db2.gz RHYLIDFSOXLNIQ-UTCJRWHESA-N -1 3 352.350 2.879 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837392875 1025771413 /nfs/dbraw/zinc/77/14/13/1025771413.db2.gz POTDLTWZDZWTFH-UHFFFAOYSA-N -1 3 364.361 2.980 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001141462978 1026351389 /nfs/dbraw/zinc/35/13/89/1026351389.db2.gz AYZIALJBXDEBDI-SEVUFMINSA-N -1 3 364.270 2.651 20 30 FFEDHM C=CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001158530493 1027053544 /nfs/dbraw/zinc/05/35/44/1027053544.db2.gz GTDXSSRGXCRRIJ-GFCCVEGCSA-N -1 3 363.414 2.745 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2ccccc2nc1N1CCCC[C@@H]1C ZINC001160176673 1027623854 /nfs/dbraw/zinc/62/38/54/1027623854.db2.gz YZSOYNPFNKQNJZ-XEZPLFJOSA-N -1 3 355.442 2.657 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001160176506 1027624847 /nfs/dbraw/zinc/62/48/47/1027624847.db2.gz VPAGUVPVMSSVAJ-CPCISQLKSA-N -1 3 374.800 2.734 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001160178298 1027626913 /nfs/dbraw/zinc/62/69/13/1027626913.db2.gz FIGSVAIPPYONDJ-XPTSAGLGSA-N -1 3 359.804 2.879 20 30 FFEDHM N#Cc1ccc(CC2CCN(C(=O)c3cnc4cccnc4c3[O-])CC2)cc1 ZINC001153855739 1028026347 /nfs/dbraw/zinc/02/63/47/1028026347.db2.gz KNDFQEPDERUMLS-UHFFFAOYSA-N -1 3 372.428 2.890 20 30 FFEDHM O=C(Cc1ccc(Cl)cc1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161796846 1028315133 /nfs/dbraw/zinc/31/51/33/1028315133.db2.gz DVYKEPOMJWEWPK-UHFFFAOYSA-N -1 3 372.808 2.787 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC001161826923 1028327740 /nfs/dbraw/zinc/32/77/40/1028327740.db2.gz PQQWAKRQXWHMBB-OAHLLOKOSA-N -1 3 362.426 2.818 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3cccc4ncccc34)cc(=O)c2c1 ZINC001154559270 1028355052 /nfs/dbraw/zinc/35/50/52/1028355052.db2.gz KXHHZZVXPNCLFP-UHFFFAOYSA-N -1 3 354.369 2.878 20 30 FFEDHM CC1(C)CC(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)CC(C)(C)N1O ZINC001154558921 1028355091 /nfs/dbraw/zinc/35/50/91/1028355091.db2.gz DETBMKLBSDPRFM-UHFFFAOYSA-N -1 3 368.437 2.540 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](CC(C)C)C(=O)N(C)C)n1 ZINC001162505981 1028565369 /nfs/dbraw/zinc/56/53/69/1028565369.db2.gz ZQHQQQAAGOWGCM-NPVNMOQSSA-N -1 3 359.883 2.575 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)c2)n1 ZINC000780895429 1028855073 /nfs/dbraw/zinc/85/50/73/1028855073.db2.gz SOMHNXSOXUPSLR-IBGZPJMESA-N -1 3 374.400 2.955 20 30 FFEDHM C#CC(C)(C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780938485 1028881794 /nfs/dbraw/zinc/88/17/94/1028881794.db2.gz MGTSWKWKCRHVTR-SFHVURJKSA-N -1 3 350.418 2.781 20 30 FFEDHM N#Cc1cc(NC(=O)c2cn3c(Br)ccc3cn2)ccc1[O-] ZINC001157247532 1029521962 /nfs/dbraw/zinc/52/19/62/1029521962.db2.gz YFEXRMTVERRHHL-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782368559 1029674413 /nfs/dbraw/zinc/67/44/13/1029674413.db2.gz HTSOFLQHJPHMNP-LBPRGKRZSA-N -1 3 365.345 2.825 20 30 FFEDHM C=CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)nn1 ZINC000842690495 1030903125 /nfs/dbraw/zinc/90/31/25/1030903125.db2.gz VSWVHPWRJBKRDN-XJKSGUPXSA-N -1 3 351.410 2.939 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccn3ccnc23)c(C)c1[O-] ZINC001151476483 1031964986 /nfs/dbraw/zinc/96/49/86/1031964986.db2.gz LJULWBXBAPPRCG-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM C#CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967516 1033865161 /nfs/dbraw/zinc/86/51/61/1033865161.db2.gz NNGRLPVGHYTUPX-GOSISDBHSA-N -1 3 350.821 2.775 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c(=O)[n-]1 ZINC000831112762 1033952979 /nfs/dbraw/zinc/95/29/79/1033952979.db2.gz NNXVKRPULAGJAX-OAHLLOKOSA-N -1 3 364.327 2.633 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nccc(/C=N/[O-])n2)CC1(C)C ZINC001226258180 1034596150 /nfs/dbraw/zinc/59/61/50/1034596150.db2.gz RMDISWNNFMVIAL-OTGIAGGSSA-N -1 3 350.419 2.842 20 30 FFEDHM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1C[C@@H]2[C@H](OC(C)=O)C[C@H](C1)N2C ZINC001227122296 1034939991 /nfs/dbraw/zinc/93/99/91/1034939991.db2.gz KQJVRBJCQWLBOU-AIUZKBQUSA-N -1 3 373.449 2.869 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@@H]2Oc1cc(C#N)ccc1[O-] ZINC001227344573 1035513743 /nfs/dbraw/zinc/51/37/43/1035513743.db2.gz AIDKLQPPEMSDJP-QFBILLFUSA-N -1 3 360.410 2.811 20 30 FFEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743326 1035710743 /nfs/dbraw/zinc/71/07/43/1035710743.db2.gz LROHJNJAZXSENL-CQSZACIVSA-N -1 3 361.430 2.662 20 30 FFEDHM CN1CCC[C@H](Oc2c(C#N)c(C#N)c([O-])c3cccc([N+](=O)[O-])c32)C1 ZINC001231227669 1037505244 /nfs/dbraw/zinc/50/52/44/1037505244.db2.gz HWNRFMBGZPQFNE-NSHDSACASA-N -1 3 352.350 2.670 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208298321 1038198779 /nfs/dbraw/zinc/19/87/79/1038198779.db2.gz JSCDMFCUEGWWAX-CZUORRHYSA-N -1 3 358.486 2.598 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ncc2F)cc1 ZINC001258045384 1039142563 /nfs/dbraw/zinc/14/25/63/1039142563.db2.gz JRDOHNNVYBQQAG-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM N#Cc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1Br ZINC001258283277 1039294736 /nfs/dbraw/zinc/29/47/36/1039294736.db2.gz NTQYIYZZDQAVSP-UHFFFAOYSA-N -1 3 362.208 2.993 20 30 FFEDHM COc1cccc2c1OC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259117151 1039726488 /nfs/dbraw/zinc/72/64/88/1039726488.db2.gz QZCPTZQWZPJXSM-CYBMUJFWSA-N -1 3 364.810 2.632 20 30 FFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1F ZINC001259357193 1039936908 /nfs/dbraw/zinc/93/69/08/1039936908.db2.gz BJUPQFNXXUPQTB-UHFFFAOYSA-N -1 3 354.309 2.711 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)ccc1F ZINC001259419523 1039989340 /nfs/dbraw/zinc/98/93/40/1039989340.db2.gz DQIKQRXUNRXDGM-UHFFFAOYSA-N -1 3 355.272 2.787 20 30 FFEDHM CC(C)(C)c1cnn2cc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cnc12 ZINC001260039049 1040370370 /nfs/dbraw/zinc/37/03/70/1040370370.db2.gz LNZRNQNNVSRMOZ-UHFFFAOYSA-N -1 3 369.450 2.840 20 30 FFEDHM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC001260045041 1040374816 /nfs/dbraw/zinc/37/48/16/1040374816.db2.gz XOBPWVJZDJOTJQ-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)C1 ZINC001261439264 1041238797 /nfs/dbraw/zinc/23/87/97/1041238797.db2.gz FVUXUXODUJJACQ-JGVFFNPUSA-N -1 3 353.753 2.724 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@](C)(COC)C3)n2C)c1[O-] ZINC001262918148 1041959734 /nfs/dbraw/zinc/95/97/34/1041959734.db2.gz IKBMJCANMVTBCV-FQEVSTJZSA-N -1 3 372.469 2.548 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001262962120 1041991807 /nfs/dbraw/zinc/99/18/07/1041991807.db2.gz FJBGJBLXQIEGBC-OAHLLOKOSA-N -1 3 371.372 2.542 20 30 FFEDHM Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2cccc(F)c2[O-])cc1C#N ZINC001279525356 1043223881 /nfs/dbraw/zinc/22/38/81/1043223881.db2.gz OSNKZCXGGMVRHI-CALCHBBNSA-N -1 3 354.429 2.590 20 30 FFEDHM C=CCC[C@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccccc1 ZINC001311314001 1043883217 /nfs/dbraw/zinc/88/32/17/1043883217.db2.gz JBTYXGRSXJWJFP-AWEZNQCLSA-N -1 3 354.414 2.526 20 30 FFEDHM COc1cc(C(=O)[O-])cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001244172963 1045101385 /nfs/dbraw/zinc/10/13/85/1045101385.db2.gz LEPDOXLFFXXECA-AWEZNQCLSA-N -1 3 369.377 2.799 20 30 FFEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])C(=O)NCC(F)(F)F ZINC001317909956 1045168793 /nfs/dbraw/zinc/16/87/93/1045168793.db2.gz FXDBWUAQZUDORC-LYKMZPRWSA-N -1 3 353.138 2.641 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OCC ZINC001325376211 1046489418 /nfs/dbraw/zinc/48/94/18/1046489418.db2.gz OMNNGMYQNBSYKO-CYBMUJFWSA-N -1 3 366.266 2.921 20 30 FFEDHM C=CCC[C@H](NC(=O)C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC001329311438 1048663875 /nfs/dbraw/zinc/66/38/75/1048663875.db2.gz IGVVXWOUKVMMTL-KRWDZBQOSA-N -1 3 356.397 2.971 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001292774315 1049390185 /nfs/dbraw/zinc/39/01/85/1049390185.db2.gz UGGJVFVPFBVLRZ-SFHVURJKSA-N -1 3 364.449 2.924 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2C)c1[O-] ZINC001340141932 1050543091 /nfs/dbraw/zinc/54/30/91/1050543091.db2.gz CWPPRRRCTMTSBQ-UHFFFAOYSA-N -1 3 371.485 2.657 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001340594946 1050980862 /nfs/dbraw/zinc/98/08/62/1050980862.db2.gz WHCZUHCUQZQWBL-VIFPVBQESA-N -1 3 364.866 2.599 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001340594946 1050980848 /nfs/dbraw/zinc/98/08/48/1050980848.db2.gz WHCZUHCUQZQWBL-VIFPVBQESA-N -1 3 364.866 2.599 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2ccc(F)cc2C1 ZINC001340714707 1051076183 /nfs/dbraw/zinc/07/61/83/1051076183.db2.gz BVILTUOUHHMJCJ-UHFFFAOYSA-N -1 3 366.400 2.637 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@H](CC)C1 ZINC001342533075 1051137157 /nfs/dbraw/zinc/13/71/57/1051137157.db2.gz JJFMXRUIVIOGES-SNVBAGLBSA-N -1 3 353.883 2.625 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@H](CC)C1 ZINC001342533075 1051137162 /nfs/dbraw/zinc/13/71/62/1051137162.db2.gz JJFMXRUIVIOGES-SNVBAGLBSA-N -1 3 353.883 2.625 20 30 FFEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1c(C)cnn1C ZINC001340933662 1051264125 /nfs/dbraw/zinc/26/41/25/1051264125.db2.gz RMJKDOVLRQEKSE-UHFFFAOYSA-N -1 3 369.450 2.639 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001342797862 1051407870 /nfs/dbraw/zinc/40/78/70/1051407870.db2.gz HJWSNKITVYPOIN-UHFFFAOYSA-N -1 3 372.473 2.801 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](C2CCOCC2)C1 ZINC001342854963 1051463162 /nfs/dbraw/zinc/46/31/62/1051463162.db2.gz XYIIDKGJIPKUFZ-HNNXBMFYSA-N -1 3 373.457 2.858 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC001306896794 1052214340 /nfs/dbraw/zinc/21/43/40/1052214340.db2.gz MGFWTAAKGUTDFP-IFXJQAMLSA-N -1 3 367.490 2.921 20 30 FFEDHM CCCCCCN([O-])C(=O)Cc1c(C)nc2nc(SC)nn2c1C ZINC001306896846 1052215005 /nfs/dbraw/zinc/21/50/05/1052215005.db2.gz ORRBUGJKOAYJLN-UHFFFAOYSA-N -1 3 351.476 2.804 20 30 FFEDHM CCCCCCN([O-])C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001306896766 1052215405 /nfs/dbraw/zinc/21/54/05/1052215405.db2.gz LFAADCKRTZAQOT-UHFFFAOYSA-N -1 3 357.794 2.776 20 30 FFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cn2c(n1)CCCC2 ZINC001343470932 1052252286 /nfs/dbraw/zinc/25/22/86/1052252286.db2.gz RVBHGTCUKOZQLE-NSHDSACASA-N -1 3 360.776 2.973 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCc2c(cccc2OC)C1 ZINC001343640771 1052350840 /nfs/dbraw/zinc/35/08/40/1052350840.db2.gz OEUXGVBKCAVFMM-UHFFFAOYSA-N -1 3 367.409 2.786 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC001309309582 1052596795 /nfs/dbraw/zinc/59/67/95/1052596795.db2.gz CYKLMWOKGOMPIE-NSHDSACASA-N -1 3 374.447 2.850 20 30 FFEDHM C=CCN(CCc1ccco1)c1nnc(-c2cnc[n-]c2=O)n1CC1CC1 ZINC001346546268 1053091909 /nfs/dbraw/zinc/09/19/09/1053091909.db2.gz DCXLKPZUERGGOV-UHFFFAOYSA-N -1 3 366.425 2.679 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001337333678 1054664449 /nfs/dbraw/zinc/66/44/49/1054664449.db2.gz IKLBOOVCIFJLNO-LBPRGKRZSA-N -1 3 354.859 2.587 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001351790529 1055002640 /nfs/dbraw/zinc/00/26/40/1055002640.db2.gz TYSJUXAHPNAMDC-FZMZJTMJSA-N -1 3 373.438 2.853 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1ccc(OC)cc1 ZINC001356381577 1055480022 /nfs/dbraw/zinc/48/00/22/1055480022.db2.gz PFBLTRUOWXNKQW-UHFFFAOYSA-N -1 3 366.425 2.662 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCc1c[n-][nH]c1=O ZINC001200392683 1056576945 /nfs/dbraw/zinc/57/69/45/1056576945.db2.gz DQBXJOBQORDLGT-OLZOCXBDSA-N -1 3 359.455 2.714 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC)C2CCCC2)ccc1F ZINC001544656262 1071674351 /nfs/dbraw/zinc/67/43/51/1071674351.db2.gz SRZJINOVYYFNCL-INIZCTEOSA-N -1 3 368.474 2.989 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCc2cccnc21 ZINC000847834422 1058195167 /nfs/dbraw/zinc/19/51/67/1058195167.db2.gz OAEAHJYXFRAUGZ-HNNXBMFYSA-N -1 3 351.406 2.877 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000848130489 1059096299 /nfs/dbraw/zinc/09/62/99/1059096299.db2.gz KMEZYHNBPLCXIO-CYBMUJFWSA-N -1 3 372.343 2.503 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(CSC)CC1 ZINC001515547703 1059695169 /nfs/dbraw/zinc/69/51/69/1059695169.db2.gz AMUMAKVSOQLDQK-UHFFFAOYSA-N -1 3 360.487 2.596 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3ccc(C#N)c(Br)c3)C2)n1 ZINC001515968084 1059912046 /nfs/dbraw/zinc/91/20/46/1059912046.db2.gz BBIFPMRDLGFUKS-CYBMUJFWSA-N -1 3 374.242 2.816 20 30 FFEDHM CCCC[C@](C)(F)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458001044 1060488640 /nfs/dbraw/zinc/48/86/40/1060488640.db2.gz COKYYHJMMYSRHT-SFHVURJKSA-N -1 3 350.390 2.809 20 30 FFEDHM COc1ccc([C@H]2[C@H](C(=O)N([O-])Cc3ccc(F)cc3)CC(=O)N2C)cc1 ZINC001458016087 1060490425 /nfs/dbraw/zinc/49/04/25/1060490425.db2.gz IQGAYHRHBXRGEY-MJGOQNOKSA-N -1 3 372.396 2.772 20 30 FFEDHM C=CCCC[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC(F)(F)C1)C(=O)OC ZINC001475688759 1061207555 /nfs/dbraw/zinc/20/75/55/1061207555.db2.gz NRCYAPCRMMLJEV-CHWSQXEVSA-N -1 3 353.431 2.629 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CC2CCC2)ccc1F ZINC001461925228 1061454516 /nfs/dbraw/zinc/45/45/16/1061454516.db2.gz HCGAJULJTWZFKK-LBPRGKRZSA-N -1 3 354.447 2.599 20 30 FFEDHM C#CC1CCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2ccccc2)CC1 ZINC001522100364 1061547958 /nfs/dbraw/zinc/54/79/58/1061547958.db2.gz FGADANYHWVSFQJ-UHFFFAOYSA-N -1 3 374.448 2.647 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@](C)(=O)c1ccccc1 ZINC001462880012 1061819786 /nfs/dbraw/zinc/81/97/86/1061819786.db2.gz NDCRGRBABSGFGD-RUZDIDTESA-N -1 3 357.435 2.892 20 30 FFEDHM Cc1cc(-n2cccn2)ccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC001464724171 1062785333 /nfs/dbraw/zinc/78/53/33/1062785333.db2.gz CBTNHKQWYMHUDC-UHFFFAOYSA-N -1 3 358.448 2.592 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001465783185 1063212607 /nfs/dbraw/zinc/21/26/07/1063212607.db2.gz WGEPGQTYJHLPHV-QMMMGPOBSA-N -1 3 371.294 2.857 20 30 FFEDHM N#Cc1cnn(-c2ccccc2NC(=O)c2cc([O-])ccc2Cl)c1N ZINC001467881715 1063876166 /nfs/dbraw/zinc/87/61/66/1063876166.db2.gz UTTBAJRBMXIWBS-UHFFFAOYSA-N -1 3 353.769 2.937 20 30 FFEDHM COc1ccc(/C=C(/C(=O)N[C@H]2CCCN([O-])C2=O)c2cccs2)cc1 ZINC001468452967 1063988352 /nfs/dbraw/zinc/98/83/52/1063988352.db2.gz LUMDVZDCSVUTSY-STTHAQSSSA-N -1 3 372.446 2.794 20 30 FFEDHM CN(CCOCc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(C#N)c1F ZINC001579229814 1078594417 /nfs/dbraw/zinc/59/44/17/1078594417.db2.gz GLAXEGGGAWWVBJ-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM CN(c1ccc(-c2nnn[n-]2)c(Br)c1F)[C@@H]1CCC[C@H]1C#N ZINC001579266822 1078605798 /nfs/dbraw/zinc/60/57/98/1078605798.db2.gz ZJLXESMCYWWIAM-WCBMZHEXSA-N -1 3 365.210 2.897 20 30 FFEDHM CN(c1ccc(-c2nn[n-]n2)c(Br)c1F)[C@@H]1CCC[C@H]1C#N ZINC001579266822 1078605802 /nfs/dbraw/zinc/60/58/02/1078605802.db2.gz ZJLXESMCYWWIAM-WCBMZHEXSA-N -1 3 365.210 2.897 20 30 FFEDHM COc1cc(Oc2ncc(C#N)cc2Br)ccc1-c1nnn[n-]1 ZINC001579937803 1078720993 /nfs/dbraw/zinc/72/09/93/1078720993.db2.gz YEFFDXMTIWXEOM-UHFFFAOYSA-N -1 3 373.170 2.697 20 30 FFEDHM COc1cc(Oc2ncc(C#N)cc2Br)ccc1-c1nn[n-]n1 ZINC001579937803 1078720999 /nfs/dbraw/zinc/72/09/99/1078720999.db2.gz YEFFDXMTIWXEOM-UHFFFAOYSA-N -1 3 373.170 2.697 20 30 FFEDHM COc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1-c1nnn[n-]1 ZINC001580043293 1078738218 /nfs/dbraw/zinc/73/82/18/1078738218.db2.gz FMDMKASVXKDFCV-UHFFFAOYSA-N -1 3 360.377 2.683 20 30 FFEDHM COc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1-c1nn[n-]n1 ZINC001580043293 1078738223 /nfs/dbraw/zinc/73/82/23/1078738223.db2.gz FMDMKASVXKDFCV-UHFFFAOYSA-N -1 3 360.377 2.683 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001581138364 1078924323 /nfs/dbraw/zinc/92/43/23/1078924323.db2.gz XCFKNZDGNDOQNT-IWMPZKFUSA-N -1 3 361.405 2.791 20 30 FFEDHM Cc1ccc(C(=O)C=CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001581138364 1078924325 /nfs/dbraw/zinc/92/43/25/1078924325.db2.gz XCFKNZDGNDOQNT-IWMPZKFUSA-N -1 3 361.405 2.791 20 30 FFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cc(-c2ccccc2Cl)on1 ZINC001581411101 1078961215 /nfs/dbraw/zinc/96/12/15/1078961215.db2.gz KPMHICAGTOTFKG-UHFFFAOYSA-N -1 3 366.772 2.600 20 30 FFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cc(-c2ccccc2Cl)on1 ZINC001581411101 1078961226 /nfs/dbraw/zinc/96/12/26/1078961226.db2.gz KPMHICAGTOTFKG-UHFFFAOYSA-N -1 3 366.772 2.600 20 30 FFEDHM Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001581729752 1078995525 /nfs/dbraw/zinc/99/55/25/1078995525.db2.gz NRNCXUHCFXTKHS-UHFFFAOYSA-N -1 3 362.271 2.911 20 30 FFEDHM Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001581729752 1078995527 /nfs/dbraw/zinc/99/55/27/1078995527.db2.gz NRNCXUHCFXTKHS-UHFFFAOYSA-N -1 3 362.271 2.911 20 30 FFEDHM N#Cc1c[nH]c2cc(C(=O)NC3(c4cccc(-c5nnn[n-]5)c4)CC3)ccc12 ZINC001581863332 1079009046 /nfs/dbraw/zinc/00/90/46/1079009046.db2.gz IZFLOAIZFNEQLX-UHFFFAOYSA-N -1 3 369.388 2.639 20 30 FFEDHM N#Cc1c[nH]c2cc(C(=O)NC3(c4cccc(-c5nn[n-]n5)c4)CC3)ccc12 ZINC001581863332 1079009052 /nfs/dbraw/zinc/00/90/52/1079009052.db2.gz IZFLOAIZFNEQLX-UHFFFAOYSA-N -1 3 369.388 2.639 20 30 FFEDHM C=CCn1cc(C[N-]C(=O)C(F)(F)c2ccccc2Br)nn1 ZINC001584319305 1079339948 /nfs/dbraw/zinc/33/99/48/1079339948.db2.gz VOUAXFFTVPPVFM-UHFFFAOYSA-N -1 3 371.185 2.635 20 30 FFEDHM CCn1nccc1[C@H]1OCCC[C@@H]1C=NNc1nc2c(c(=O)[n-]1)CCCC2 ZINC001552453902 1075076774 /nfs/dbraw/zinc/07/67/74/1075076774.db2.gz NHUOEMNYZAZGRA-DYVFJYSZSA-N -1 3 370.457 2.843 20 30 FFEDHM C#CCOc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001556660381 1075762591 /nfs/dbraw/zinc/76/25/91/1075762591.db2.gz NAFCVLABHDFZCV-UHFFFAOYSA-N -1 3 368.339 2.748 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c[nH]c3cccc(C#N)c32)[n-]n1 ZINC001557147819 1075814551 /nfs/dbraw/zinc/81/45/51/1075814551.db2.gz GXIPDQAYTSGTIN-UHFFFAOYSA-N -1 3 351.366 2.970 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c[nH]c3cccc(C#N)c32)n[n-]1 ZINC001557147819 1075814554 /nfs/dbraw/zinc/81/45/54/1075814554.db2.gz GXIPDQAYTSGTIN-UHFFFAOYSA-N -1 3 351.366 2.970 20 30 FFEDHM Cc1nn(-c2ccccn2)c(C)c1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC001559037297 1076118661 /nfs/dbraw/zinc/11/86/61/1076118661.db2.gz QVSUFOYDTPOHOR-UHFFFAOYSA-N -1 3 354.385 2.984 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC001561913164 1076443642 /nfs/dbraw/zinc/44/36/42/1076443642.db2.gz MPMHPLMGDHPOCB-BBRMVZONSA-N -1 3 366.801 2.962 20 30 FFEDHM C[C@@H](N[C@H]1CCN(CC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001573630484 1077759488 /nfs/dbraw/zinc/75/94/88/1077759488.db2.gz KLUXRDITMLSSDH-KUHUBIRLSA-N -1 3 363.417 2.561 20 30 FFEDHM Brc1cnc(C=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC001588322727 1079979182 /nfs/dbraw/zinc/97/91/82/1079979182.db2.gz AKRCCVBTRUTRGL-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM Brc1cnc(C=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC001588322727 1079979186 /nfs/dbraw/zinc/97/91/86/1079979186.db2.gz AKRCCVBTRUTRGL-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM C#C[C@@H](C)N(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C/C=C\CC ZINC001588325985 1079983869 /nfs/dbraw/zinc/98/38/69/1079983869.db2.gz AXDJJXAQVFYEDF-WBTMPAOCSA-N -1 3 362.441 2.549 20 30 FFEDHM C#C[C@@H](C)N(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C/C=C\CC ZINC001588325985 1079983875 /nfs/dbraw/zinc/98/38/75/1079983875.db2.gz AXDJJXAQVFYEDF-WBTMPAOCSA-N -1 3 362.441 2.549 20 30 FFEDHM C#C[C@H](NCc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)cc1 ZINC001588328961 1079986285 /nfs/dbraw/zinc/98/62/85/1079986285.db2.gz UVQGPLHSNBQORE-INIZCTEOSA-N -1 3 363.812 2.632 20 30 FFEDHM C#C[C@H](NCc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)cc1 ZINC001588328961 1079986291 /nfs/dbraw/zinc/98/62/91/1079986291.db2.gz UVQGPLHSNBQORE-INIZCTEOSA-N -1 3 363.812 2.632 20 30 FFEDHM C#C[C@@H]1CCCN(c2cc(Br)c(-c3nnn[n-]3)cc2F)C1 ZINC001588331726 1079987714 /nfs/dbraw/zinc/98/77/14/1079987714.db2.gz CQBMRVJUTAYEAF-SECBINFHSA-N -1 3 350.195 2.618 20 30 FFEDHM C#C[C@@H]1CCCN(c2cc(Br)c(-c3nn[n-]n3)cc2F)C1 ZINC001588331726 1079987716 /nfs/dbraw/zinc/98/77/16/1079987716.db2.gz CQBMRVJUTAYEAF-SECBINFHSA-N -1 3 350.195 2.618 20 30 FFEDHM C#C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C1 ZINC001588332581 1079987834 /nfs/dbraw/zinc/98/78/34/1079987834.db2.gz NGSSTQUVZNVZML-LLVKDONJSA-N -1 3 370.363 2.866 20 30 FFEDHM C#C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC001588332581 1079987836 /nfs/dbraw/zinc/98/78/36/1079987836.db2.gz NGSSTQUVZNVZML-LLVKDONJSA-N -1 3 370.363 2.866 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)C)C2 ZINC001588360100 1079992594 /nfs/dbraw/zinc/99/25/94/1079992594.db2.gz IGMGCULZJJBDOR-VXGBXAGGSA-N -1 3 373.482 2.666 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C(C)C)C2 ZINC001588360100 1079992600 /nfs/dbraw/zinc/99/26/00/1079992600.db2.gz IGMGCULZJJBDOR-VXGBXAGGSA-N -1 3 373.482 2.666 20 30 FFEDHM C#CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588363123 1079993682 /nfs/dbraw/zinc/99/36/82/1079993682.db2.gz LRSHWFUVEOXKJG-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588363123 1079993687 /nfs/dbraw/zinc/99/36/87/1079993687.db2.gz LRSHWFUVEOXKJG-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588395059 1080007299 /nfs/dbraw/zinc/00/72/99/1080007299.db2.gz PBIFPFQAUAYWOZ-RDJZCZTQSA-N -1 3 368.458 2.776 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C(C)(C)C1 ZINC001588410186 1080014554 /nfs/dbraw/zinc/01/45/54/1080014554.db2.gz NEDDIFOBUXIKFK-OAHLLOKOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C(C)(C)C1 ZINC001588410186 1080014559 /nfs/dbraw/zinc/01/45/59/1080014559.db2.gz NEDDIFOBUXIKFK-OAHLLOKOSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588412044 1080015774 /nfs/dbraw/zinc/01/57/74/1080015774.db2.gz QGOPURZSIPDDNH-HNNXBMFYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588412044 1080015783 /nfs/dbraw/zinc/01/57/83/1080015783.db2.gz QGOPURZSIPDDNH-HNNXBMFYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588438527 1080027940 /nfs/dbraw/zinc/02/79/40/1080027940.db2.gz TVFYZIVRCZAENO-UHFFFAOYSA-N -1 3 358.475 2.856 20 30 FFEDHM C=C(C)Cn1c(C(C)C)nnc1N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588438527 1080027949 /nfs/dbraw/zinc/02/79/49/1080027949.db2.gz TVFYZIVRCZAENO-UHFFFAOYSA-N -1 3 358.475 2.856 20 30 FFEDHM C=C(Cl)C[C@H](Nc1nc(C)c(-c2nnn[n-]2)cc1Cl)C(=O)OCC ZINC001588448998 1080030716 /nfs/dbraw/zinc/03/07/16/1080030716.db2.gz CUVAWDKKBXXMJV-NSHDSACASA-N -1 3 371.228 2.710 20 30 FFEDHM C=C(Cl)C[C@H](Nc1nc(C)c(-c2nn[n-]n2)cc1Cl)C(=O)OCC ZINC001588448998 1080030723 /nfs/dbraw/zinc/03/07/23/1080030723.db2.gz CUVAWDKKBXXMJV-NSHDSACASA-N -1 3 371.228 2.710 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)CCCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588454676 1080032253 /nfs/dbraw/zinc/03/22/53/1080032253.db2.gz FPJQPWLNKAMDPO-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H](C)CCCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588454676 1080032261 /nfs/dbraw/zinc/03/22/61/1080032261.db2.gz FPJQPWLNKAMDPO-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C1CCC(C(=O)N(C)CCCNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588455790 1080032749 /nfs/dbraw/zinc/03/27/49/1080032749.db2.gz DAYVGNIEJJZAKQ-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C1CCC(C(=O)N(C)CCCNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588455790 1080032757 /nfs/dbraw/zinc/03/27/57/1080032757.db2.gz DAYVGNIEJJZAKQ-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588461312 1080036287 /nfs/dbraw/zinc/03/62/87/1080036287.db2.gz MUYPWAROMFHQHO-OLZOCXBDSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588461312 1080036296 /nfs/dbraw/zinc/03/62/96/1080036296.db2.gz MUYPWAROMFHQHO-OLZOCXBDSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001588462944 1080036599 /nfs/dbraw/zinc/03/65/99/1080036599.db2.gz UTMIKIPYWVYPPQ-XJKSGUPXSA-N -1 3 362.441 2.863 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001588462944 1080036608 /nfs/dbraw/zinc/03/66/08/1080036608.db2.gz UTMIKIPYWVYPPQ-XJKSGUPXSA-N -1 3 362.441 2.863 20 30 FFEDHM C=C1CCC(C(=O)NCCCN(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588462181 1080037224 /nfs/dbraw/zinc/03/72/24/1080037224.db2.gz HGNIPDXBLMSTGU-UHFFFAOYSA-N -1 3 372.448 2.695 20 30 FFEDHM C=C1CCC(C(=O)NCCCN(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588462181 1080037233 /nfs/dbraw/zinc/03/72/33/1080037233.db2.gz HGNIPDXBLMSTGU-UHFFFAOYSA-N -1 3 372.448 2.695 20 30 FFEDHM C=C1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)CC1 ZINC001588462956 1080037445 /nfs/dbraw/zinc/03/74/45/1080037445.db2.gz VCIRPINSKIESBM-UHFFFAOYSA-N -1 3 368.319 2.949 20 30 FFEDHM C=C1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)CC1 ZINC001588462956 1080037456 /nfs/dbraw/zinc/03/74/56/1080037456.db2.gz VCIRPINSKIESBM-UHFFFAOYSA-N -1 3 368.319 2.949 20 30 FFEDHM C=CCOc1c(Cl)cc(CN2CC[C@](COC)(C(=O)[O-])C2)cc1OC ZINC001588466524 1080039128 /nfs/dbraw/zinc/03/91/28/1080039128.db2.gz XIHFTAHZEORRMJ-SFHVURJKSA-N -1 3 369.845 2.837 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588474945 1080042629 /nfs/dbraw/zinc/04/26/29/1080042629.db2.gz IRLSSDPLZAXXPQ-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588474945 1080042638 /nfs/dbraw/zinc/04/26/38/1080042638.db2.gz IRLSSDPLZAXXPQ-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588480967 1080045075 /nfs/dbraw/zinc/04/50/75/1080045075.db2.gz GIGGLWPPMHEKKC-HDJSIYSDSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588480967 1080045084 /nfs/dbraw/zinc/04/50/84/1080045084.db2.gz GIGGLWPPMHEKKC-HDJSIYSDSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588490940 1080052065 /nfs/dbraw/zinc/05/20/65/1080052065.db2.gz BOCMTQWJWQUSFK-IFXJQAMLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588490940 1080052073 /nfs/dbraw/zinc/05/20/73/1080052073.db2.gz BOCMTQWJWQUSFK-IFXJQAMLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NCCN(CC)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588493177 1080055847 /nfs/dbraw/zinc/05/58/47/1080055847.db2.gz BSKXWZQHOQKYIW-LJQANCHMSA-N -1 3 374.464 2.546 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588494885 1080057370 /nfs/dbraw/zinc/05/73/70/1080057370.db2.gz YIZMPGSNGGYPEO-MHVYXZCWSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NC1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588494885 1080057380 /nfs/dbraw/zinc/05/73/80/1080057380.db2.gz YIZMPGSNGGYPEO-MHVYXZCWSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588532840 1080081872 /nfs/dbraw/zinc/08/18/72/1080081872.db2.gz HNAYTUNKBIQLHP-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588532840 1080081880 /nfs/dbraw/zinc/08/18/80/1080081880.db2.gz HNAYTUNKBIQLHP-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588532963 1080084061 /nfs/dbraw/zinc/08/40/61/1080084061.db2.gz KDEDYUUTPGTBOC-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588532963 1080084067 /nfs/dbraw/zinc/08/40/67/1080084067.db2.gz KDEDYUUTPGTBOC-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC1(C(=O)N2CCC(c3ccc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC001588549670 1080090312 /nfs/dbraw/zinc/09/03/12/1080090312.db2.gz TYOQJAOPNJQNMR-UHFFFAOYSA-N -1 3 352.442 2.714 20 30 FFEDHM C=CCC1(C(=O)N2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC001588549670 1080090316 /nfs/dbraw/zinc/09/03/16/1080090316.db2.gz TYOQJAOPNJQNMR-UHFFFAOYSA-N -1 3 352.442 2.714 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001588551826 1080091335 /nfs/dbraw/zinc/09/13/35/1080091335.db2.gz ISZVEBRPNAFHLY-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001588551826 1080091341 /nfs/dbraw/zinc/09/13/41/1080091341.db2.gz ISZVEBRPNAFHLY-ZIAGYGMSSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588563871 1080100488 /nfs/dbraw/zinc/10/04/88/1080100488.db2.gz CZHLDMHPSRJCGD-OAHLLOKOSA-N -1 3 355.442 2.840 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588563871 1080100492 /nfs/dbraw/zinc/10/04/92/1080100492.db2.gz CZHLDMHPSRJCGD-OAHLLOKOSA-N -1 3 355.442 2.840 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588576511 1080105112 /nfs/dbraw/zinc/10/51/12/1080105112.db2.gz SUMUWWWFKPZLMS-UHFFFAOYSA-N -1 3 358.446 2.667 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588576511 1080105117 /nfs/dbraw/zinc/10/51/17/1080105117.db2.gz SUMUWWWFKPZLMS-UHFFFAOYSA-N -1 3 358.446 2.667 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588586853 1080109771 /nfs/dbraw/zinc/10/97/71/1080109771.db2.gz OEJXHNIXNSTIQG-CABCVRRESA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588586853 1080109774 /nfs/dbraw/zinc/10/97/74/1080109774.db2.gz OEJXHNIXNSTIQG-CABCVRRESA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588588331 1080110895 /nfs/dbraw/zinc/11/08/95/1080110895.db2.gz KVNRSEOLWDBDPS-CZUORRHYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588588331 1080110898 /nfs/dbraw/zinc/11/08/98/1080110898.db2.gz KVNRSEOLWDBDPS-CZUORRHYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588588151 1080111042 /nfs/dbraw/zinc/11/10/42/1080111042.db2.gz FDAROQLOCKZSPY-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588588151 1080111045 /nfs/dbraw/zinc/11/10/45/1080111045.db2.gz FDAROQLOCKZSPY-OAHLLOKOSA-N -1 3 369.473 2.719 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001588588329 1080111407 /nfs/dbraw/zinc/11/14/07/1080111407.db2.gz KVNRSEOLWDBDPS-BBRMVZONSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001588588329 1080111410 /nfs/dbraw/zinc/11/14/10/1080111410.db2.gz KVNRSEOLWDBDPS-BBRMVZONSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC[C@H]1NC(=O)N([C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1=O ZINC001588594532 1080117595 /nfs/dbraw/zinc/11/75/95/1080117595.db2.gz VSHMVPXPGLEGIC-CVEARBPZSA-N -1 3 366.425 2.521 20 30 FFEDHM C=CCCC[C@H]1NC(=O)N([C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1=O ZINC001588594532 1080117598 /nfs/dbraw/zinc/11/75/98/1080117598.db2.gz VSHMVPXPGLEGIC-CVEARBPZSA-N -1 3 366.425 2.521 20 30 FFEDHM C=CCN(CC(=O)N[C@H]1CCCC[C@H]1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588628120 1080127310 /nfs/dbraw/zinc/12/73/10/1080127310.db2.gz RPOHQYIUAYSJLP-QAPCUYQASA-N -1 3 368.485 2.550 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC1(Cl)Cl ZINC001588638945 1080131955 /nfs/dbraw/zinc/13/19/55/1080131955.db2.gz KCTOGTSBPBGONO-LBPRGKRZSA-N -1 3 352.225 2.575 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC1(Cl)Cl ZINC001588638945 1080131965 /nfs/dbraw/zinc/13/19/65/1080131965.db2.gz KCTOGTSBPBGONO-LBPRGKRZSA-N -1 3 352.225 2.575 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sccc1C#N ZINC001588647726 1080137675 /nfs/dbraw/zinc/13/76/75/1080137675.db2.gz AYOUNPXBNVTRJK-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sccc1C#N ZINC001588647726 1080137678 /nfs/dbraw/zinc/13/76/78/1080137678.db2.gz AYOUNPXBNVTRJK-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C(=O)OC)c1ccccc1 ZINC001588648418 1080138031 /nfs/dbraw/zinc/13/80/31/1080138031.db2.gz KRZGTCSFHIAAKR-SFHVURJKSA-N -1 3 363.421 2.769 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C(=O)OC)c1ccccc1 ZINC001588648418 1080138036 /nfs/dbraw/zinc/13/80/36/1080138036.db2.gz KRZGTCSFHIAAKR-SFHVURJKSA-N -1 3 363.421 2.769 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(SC)c1 ZINC001588647905 1080138184 /nfs/dbraw/zinc/13/81/84/1080138184.db2.gz GDAQJWISUIJTBB-UHFFFAOYSA-N -1 3 366.450 2.812 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(SC)c1 ZINC001588647905 1080138189 /nfs/dbraw/zinc/13/81/89/1080138189.db2.gz GDAQJWISUIJTBB-UHFFFAOYSA-N -1 3 366.450 2.812 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001588688888 1080154438 /nfs/dbraw/zinc/15/44/38/1080154438.db2.gz UEYIYJNBZWPMQA-AREMUKBSSA-N -1 3 371.397 2.859 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001588688888 1080154444 /nfs/dbraw/zinc/15/44/44/1080154444.db2.gz UEYIYJNBZWPMQA-AREMUKBSSA-N -1 3 371.397 2.859 20 30 FFEDHM C=CCn1c(C2CC=CC2)nnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588704289 1080162524 /nfs/dbraw/zinc/16/25/24/1080162524.db2.gz YHLMCZFCMIBKAS-UHFFFAOYSA-N -1 3 362.441 2.714 20 30 FFEDHM C=CCn1c(C2CC=CC2)nnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588704289 1080162526 /nfs/dbraw/zinc/16/25/26/1080162526.db2.gz YHLMCZFCMIBKAS-UHFFFAOYSA-N -1 3 362.441 2.714 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001588934382 1080271688 /nfs/dbraw/zinc/27/16/88/1080271688.db2.gz KMVACXLFAFVLHY-AAWHYMEISA-N -1 3 372.388 2.765 20 30 FFEDHM C[C@@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001588934382 1080271694 /nfs/dbraw/zinc/27/16/94/1080271694.db2.gz KMVACXLFAFVLHY-AAWHYMEISA-N -1 3 372.388 2.765 20 30 FFEDHM C[C@@H](CC(=O)OCc1ccccc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589796649 1080749856 /nfs/dbraw/zinc/74/98/56/1080749856.db2.gz XWTDUWWZTLUUDG-ZDUSSCGKSA-N -1 3 362.393 2.672 20 30 FFEDHM C[C@@H](CC(=O)OCc1ccccc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589796649 1080749860 /nfs/dbraw/zinc/74/98/60/1080749860.db2.gz XWTDUWWZTLUUDG-ZDUSSCGKSA-N -1 3 362.393 2.672 20 30 FFEDHM C[C@H](CO)CCCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589882983 1080829791 /nfs/dbraw/zinc/82/97/91/1080829791.db2.gz VMZWBVWQWBGPNJ-ZDUSSCGKSA-N -1 3 369.473 2.613 20 30 FFEDHM C[C@H](CO)CCCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589882983 1080829793 /nfs/dbraw/zinc/82/97/93/1080829793.db2.gz VMZWBVWQWBGPNJ-ZDUSSCGKSA-N -1 3 369.473 2.613 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccc(C#N)cc1 ZINC001590014274 1080941706 /nfs/dbraw/zinc/94/17/06/1080941706.db2.gz ZZKIMOQCBIPRLB-SECBINFHSA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)c1nc2ncccc2cc1-c1nnn[n-]1 ZINC001590048892 1080977832 /nfs/dbraw/zinc/97/78/32/1080977832.db2.gz LHVBWZVORCJLTK-LBPRGKRZSA-N -1 3 356.393 2.879 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)c1nc2ncccc2cc1-c1nn[n-]n1 ZINC001590048892 1080977835 /nfs/dbraw/zinc/97/78/35/1080977835.db2.gz LHVBWZVORCJLTK-LBPRGKRZSA-N -1 3 356.393 2.879 20 30 FFEDHM C[C@]1(C#N)CCN(c2cc(Br)c(-c3nnn[n-]3)cc2F)C1 ZINC001590056240 1080984083 /nfs/dbraw/zinc/98/40/83/1080984083.db2.gz CJNMSQLOSSINOL-CYBMUJFWSA-N -1 3 351.183 2.508 20 30 FFEDHM C[C@]1(C#N)CCN(c2cc(Br)c(-c3nn[n-]n3)cc2F)C1 ZINC001590056240 1080984088 /nfs/dbraw/zinc/98/40/88/1080984088.db2.gz CJNMSQLOSSINOL-CYBMUJFWSA-N -1 3 351.183 2.508 20 30 FFEDHM CC1(C)CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C#N ZINC001590097293 1081010419 /nfs/dbraw/zinc/01/04/19/1081010419.db2.gz QZKWXTROMMAXCC-OAHLLOKOSA-N -1 3 370.482 2.641 20 30 FFEDHM CC1(C)CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C#N ZINC001590097293 1081010428 /nfs/dbraw/zinc/01/04/28/1081010428.db2.gz QZKWXTROMMAXCC-OAHLLOKOSA-N -1 3 370.482 2.641 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1(C)C ZINC001590146814 1081049399 /nfs/dbraw/zinc/04/93/99/1081049399.db2.gz GDDZWCSWRXMVRQ-JKSUJKDBSA-N -1 3 373.453 2.919 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3cccs3)CC2)s1 ZINC000366630655 512115111 /nfs/dbraw/zinc/11/51/11/512115111.db2.gz YTKBUUVFKRTIOP-UHFFFAOYSA-N -1 3 353.494 2.629 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cc1C#N ZINC000331150661 258178379 /nfs/dbraw/zinc/17/83/79/258178379.db2.gz OHXREYXQNXKYHW-BXUZGUMPSA-N -1 3 361.389 2.909 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)c3cc4c(cc3[O-])CCCC4)CC2)nc1 ZINC000065618911 506335647 /nfs/dbraw/zinc/33/56/47/506335647.db2.gz BEGAWKUKAQSMSF-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccn1 ZINC000410339389 512242617 /nfs/dbraw/zinc/24/26/17/512242617.db2.gz SFPWMCCIJPIRDB-UHFFFAOYSA-N -1 3 370.356 2.839 20 30 FFEDHM CCOCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055264251 506713748 /nfs/dbraw/zinc/71/37/48/506713748.db2.gz RPXCZTIJXAZTDD-UHFFFAOYSA-N -1 3 350.362 2.672 20 30 FFEDHM O=C(CCC(=O)N1CCc2sccc2C1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000055912303 506885121 /nfs/dbraw/zinc/88/51/21/506885121.db2.gz SSGRINJLTDFCRR-UHFFFAOYSA-N -1 3 373.360 2.838 20 30 FFEDHM O=C(CCC(=O)N1CCc2sccc2C1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000055912303 506885126 /nfs/dbraw/zinc/88/51/26/506885126.db2.gz SSGRINJLTDFCRR-UHFFFAOYSA-N -1 3 373.360 2.838 20 30 FFEDHM CCC(=O)Nc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000044794514 506888554 /nfs/dbraw/zinc/88/85/54/506888554.db2.gz WJPTXKRVHGPDQP-UHFFFAOYSA-N -1 3 366.421 2.783 20 30 FFEDHM Cc1ccc([O-])c[n+]1C(C(=O)c1ccc2c(c1)OCO2)C(=S)[N-]C(C)C ZINC000068139117 507126434 /nfs/dbraw/zinc/12/64/34/507126434.db2.gz WMLRAAPAGSXPPO-UHFFFAOYSA-O -1 3 373.454 2.654 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000068941509 507366680 /nfs/dbraw/zinc/36/66/80/507366680.db2.gz CEBJNVSXCXBRLS-ZDUSSCGKSA-N -1 3 365.455 2.706 20 30 FFEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(C)c(C#N)cn2)[n-]1 ZINC000410756652 512357447 /nfs/dbraw/zinc/35/74/47/512357447.db2.gz XGQBMGKIWKHYGH-UHFFFAOYSA-N -1 3 355.398 2.756 20 30 FFEDHM CCCCc1nc(NC(=O)c2cc(C)c(C#N)cn2)c(C(=O)OCC)[n-]1 ZINC000410756652 512357450 /nfs/dbraw/zinc/35/74/50/512357450.db2.gz XGQBMGKIWKHYGH-UHFFFAOYSA-N -1 3 355.398 2.756 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000052512786 507811454 /nfs/dbraw/zinc/81/14/54/507811454.db2.gz YOOHLUHUEAAXJR-SFHVURJKSA-N -1 3 363.417 2.527 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000080297264 508063225 /nfs/dbraw/zinc/06/32/25/508063225.db2.gz SDCJVMADEFWBPS-INIZCTEOSA-N -1 3 356.463 2.553 20 30 FFEDHM COCc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000156525969 508433704 /nfs/dbraw/zinc/43/37/04/508433704.db2.gz HOVINAKDPOQOTL-UHFFFAOYSA-N -1 3 350.827 2.837 20 30 FFEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cnc(-c3ncccn3)s1)CCCC2 ZINC000121937482 508452212 /nfs/dbraw/zinc/45/22/12/508452212.db2.gz DSCLYDSZCJIGBL-UHFFFAOYSA-N -1 3 362.418 2.998 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)COCc1ccccc1 ZINC000156714030 508466347 /nfs/dbraw/zinc/46/63/47/508466347.db2.gz DBJCJNMHAFXCIS-AWEZNQCLSA-N -1 3 362.426 2.829 20 30 FFEDHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000156986174 508506492 /nfs/dbraw/zinc/50/64/92/508506492.db2.gz LDQOQEZHQAPPFL-UHFFFAOYSA-N -1 3 370.858 2.612 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1 ZINC000122542875 508552316 /nfs/dbraw/zinc/55/23/16/508552316.db2.gz DAUDSJMQRFHAAR-HNNXBMFYSA-N -1 3 354.472 2.544 20 30 FFEDHM CCc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(OC)c1 ZINC000122597063 508560216 /nfs/dbraw/zinc/56/02/16/508560216.db2.gz QOTDVDQXSRGCES-UHFFFAOYSA-N -1 3 354.406 2.973 20 30 FFEDHM N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2)c1N ZINC000153451430 508584551 /nfs/dbraw/zinc/58/45/51/508584551.db2.gz XYNUQMGOIULXMD-UHFFFAOYSA-N -1 3 353.769 2.937 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000128797971 508645443 /nfs/dbraw/zinc/64/54/43/508645443.db2.gz ZHMMLIIHAFATMH-NRFANRHFSA-N -1 3 363.417 2.570 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1CCO[C@@H]1CCCCO1 ZINC000136539356 508699728 /nfs/dbraw/zinc/69/97/28/508699728.db2.gz KFFLFKXRPSWLIY-MAUKXSAKSA-N -1 3 354.410 2.620 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1Cl ZINC000137692135 508762876 /nfs/dbraw/zinc/76/28/76/508762876.db2.gz PGLBQRGSRNUVCT-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM C=CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000154461516 508790050 /nfs/dbraw/zinc/79/00/50/508790050.db2.gz ILDMLXGYLZOGJC-HNNXBMFYSA-N -1 3 364.492 2.850 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)s1 ZINC000124563911 508852114 /nfs/dbraw/zinc/85/21/14/508852114.db2.gz KHCRLHCJOQPUFQ-CYBMUJFWSA-N -1 3 364.448 2.858 20 30 FFEDHM N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)[nH]1 ZINC000124579734 508854073 /nfs/dbraw/zinc/85/40/73/508854073.db2.gz KSTULYQMOFWSCF-UHFFFAOYSA-N -1 3 372.812 2.736 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)c(F)c1 ZINC000151195766 508976029 /nfs/dbraw/zinc/97/60/29/508976029.db2.gz UEOJEJLHMCUSAG-OAHLLOKOSA-N -1 3 359.426 2.645 20 30 FFEDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151207300 508978802 /nfs/dbraw/zinc/97/88/02/508978802.db2.gz ZUPHPSGQLUJEGA-CZUORRHYSA-N -1 3 354.447 2.817 20 30 FFEDHM CCC1(CC)[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@@H]1OC ZINC000151844510 509095137 /nfs/dbraw/zinc/09/51/37/509095137.db2.gz ZVDUFRVPWOQUIH-IRXDYDNUSA-N -1 3 359.470 2.506 20 30 FFEDHM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000156325187 509160449 /nfs/dbraw/zinc/16/04/49/509160449.db2.gz ATOQOUWYEDMJNH-UHFFFAOYSA-N -1 3 363.826 2.649 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000163335844 509364337 /nfs/dbraw/zinc/36/43/37/509364337.db2.gz VHTVWFGQUVYTMI-RDJZCZTQSA-N -1 3 360.410 2.896 20 30 FFEDHM C=CCCS(=O)(=O)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000163608868 509399548 /nfs/dbraw/zinc/39/95/48/509399548.db2.gz VRJNLNHFCIVBMD-CQSZACIVSA-N -1 3 369.487 2.966 20 30 FFEDHM Cc1nc(C#N)c(N2CCC(C(=O)N3CCCc4cccc([O-])c43)CC2)o1 ZINC000192238549 509421459 /nfs/dbraw/zinc/42/14/59/509421459.db2.gz PFLIKTDOFTUEPZ-UHFFFAOYSA-N -1 3 366.421 2.756 20 30 FFEDHM C=C[C@@H](CC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000179452133 509450200 /nfs/dbraw/zinc/45/02/00/509450200.db2.gz GNGZHNOIVUXNOD-AWEZNQCLSA-N -1 3 364.492 2.503 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000179778346 509616961 /nfs/dbraw/zinc/61/69/61/509616961.db2.gz ZNANQFXJHPYGRE-JTQLQIEISA-N -1 3 350.893 2.541 20 30 FFEDHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180029989 509717123 /nfs/dbraw/zinc/71/71/23/509717123.db2.gz LLWPLQHBYIBBBU-LBPRGKRZSA-N -1 3 351.859 2.850 20 30 FFEDHM C=C(C)CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000189767168 509740747 /nfs/dbraw/zinc/74/07/47/509740747.db2.gz WIFWIBBASFYEIJ-UHFFFAOYSA-N -1 3 372.874 2.602 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](Sc2n[n-]c(-c3ccccn3)n2)C1=O ZINC000176942030 509779030 /nfs/dbraw/zinc/77/90/30/509779030.db2.gz YRNDVXORGQBPNV-GFCCVEGCSA-N -1 3 368.447 2.697 20 30 FFEDHM O=C(CN[C@@H](c1c(F)cccc1F)C(F)(F)F)[N-]CC(F)(F)F ZINC000183458529 509802309 /nfs/dbraw/zinc/80/23/09/509802309.db2.gz USYGNYUGMCODKW-JTQLQIEISA-N -1 3 350.209 2.836 20 30 FFEDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183547594 509854239 /nfs/dbraw/zinc/85/42/39/509854239.db2.gz BUFKOTPJEDXXFG-UHFFFAOYSA-N -1 3 365.842 2.874 20 30 FFEDHM COc1cc(/C=C/C(=O)N(C)[C@H](C)CC#N)cc(Br)c1[O-] ZINC000183566689 509865614 /nfs/dbraw/zinc/86/56/14/509865614.db2.gz MYGGPODJYAHSBB-ORAHPGNNSA-N -1 3 353.216 2.937 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000180419098 509917081 /nfs/dbraw/zinc/91/70/81/509917081.db2.gz YOCKJERSJOOCTF-SNVBAGLBSA-N -1 3 366.830 2.674 20 30 FFEDHM N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000180719438 510070503 /nfs/dbraw/zinc/07/05/03/510070503.db2.gz QJKHRGLBXDTIJV-IBGZPJMESA-N -1 3 369.852 2.997 20 30 FFEDHM C=C(C)CN(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000180824433 510130628 /nfs/dbraw/zinc/13/06/28/510130628.db2.gz ZAVCPBSZNXQEGG-UHFFFAOYSA-N -1 3 355.435 2.696 20 30 FFEDHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000184207129 510194142 /nfs/dbraw/zinc/19/41/42/510194142.db2.gz HWMADWJPMDEISV-UHFFFAOYSA-N -1 3 368.846 2.629 20 30 FFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000194766700 510518629 /nfs/dbraw/zinc/51/86/29/510518629.db2.gz JAQOAJNBBDONOI-UHFFFAOYSA-N -1 3 373.272 2.962 20 30 FFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C12CCC2 ZINC000184922666 510585984 /nfs/dbraw/zinc/58/59/84/510585984.db2.gz CGTRFGPMXMRCDO-LSDHHAIUSA-N -1 3 354.859 2.838 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC000188105672 510596148 /nfs/dbraw/zinc/59/61/48/510596148.db2.gz CDKZMPGLLMFQLG-CYBMUJFWSA-N -1 3 370.858 2.622 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000178531311 510648801 /nfs/dbraw/zinc/64/88/01/510648801.db2.gz VGZKVWVJMBOSKP-WMZOPIPTSA-N -1 3 360.410 2.896 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000270241197 510731856 /nfs/dbraw/zinc/73/18/56/510731856.db2.gz NUMDHPINUQZJOT-UHFFFAOYSA-N -1 3 353.344 2.929 20 30 FFEDHM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000172545611 510784462 /nfs/dbraw/zinc/78/44/62/510784462.db2.gz DKCHUWYYYRQPGP-HNNXBMFYSA-N -1 3 366.425 2.588 20 30 FFEDHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329921739 510878236 /nfs/dbraw/zinc/87/82/36/510878236.db2.gz HRSWCEHAPFNXFM-IMJJTQAJSA-N -1 3 353.426 2.871 20 30 FFEDHM CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329989244 510894829 /nfs/dbraw/zinc/89/48/29/510894829.db2.gz VBSCOCGBFHPCCP-UHFFFAOYSA-N -1 3 354.476 2.620 20 30 FFEDHM Cc1nsc([N-]C(=O)Nc2cccc(CS(C)(=O)=O)c2C)c1C#N ZINC000297489678 510964661 /nfs/dbraw/zinc/96/46/61/510964661.db2.gz TXHACYLYAASXRT-UHFFFAOYSA-N -1 3 364.452 2.820 20 30 FFEDHM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330901577 511027406 /nfs/dbraw/zinc/02/74/06/511027406.db2.gz KOTFHBWTKAJOLR-ZIAGYGMSSA-N -1 3 353.488 2.626 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000271048127 511068767 /nfs/dbraw/zinc/06/87/67/511068767.db2.gz RYZKFNOEXCLIJS-WMLDXEAASA-N -1 3 359.470 2.918 20 30 FFEDHM C#CCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000291296360 511164510 /nfs/dbraw/zinc/16/45/10/511164510.db2.gz QAUOPNBSPIJIGX-GFCCVEGCSA-N -1 3 355.221 2.527 20 30 FFEDHM CC1(C#N)CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000280475826 511479344 /nfs/dbraw/zinc/47/93/44/511479344.db2.gz NKNYGLWYWXLCIE-SFHVURJKSA-N -1 3 363.417 2.625 20 30 FFEDHM CO[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)Cc1ccccc1 ZINC000295678264 511480180 /nfs/dbraw/zinc/48/01/80/511480180.db2.gz IIHGBVNKXZWOLQ-KRWDZBQOSA-N -1 3 367.449 2.582 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000273399663 511525035 /nfs/dbraw/zinc/52/50/35/511525035.db2.gz IFIGQOVCTUGEEL-HNNXBMFYSA-N -1 3 356.382 2.609 20 30 FFEDHM CCCC[C@H](ON=C(C)C)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000273502851 511528940 /nfs/dbraw/zinc/52/89/40/511528940.db2.gz POIFJYYDBNGWLK-KRWDZBQOSA-N -1 3 363.458 2.600 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cn(C)nc2C(C)C)no1 ZINC000293047727 511820272 /nfs/dbraw/zinc/82/02/72/511820272.db2.gz OZKKFDLARTYXRJ-UHFFFAOYSA-N -1 3 366.425 2.968 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(C[N-]S(=O)(=O)c3ccc(F)cc3F)n2)c1 ZINC000364035598 511919975 /nfs/dbraw/zinc/91/99/75/511919975.db2.gz QUAHLLZNCMTMDD-UHFFFAOYSA-N -1 3 374.372 2.705 20 30 FFEDHM CCc1cc(=O)[n-]c(CN2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000375753079 512487053 /nfs/dbraw/zinc/48/70/53/512487053.db2.gz HXFMZUPHMGKTFJ-UHFFFAOYSA-N -1 3 356.401 2.799 20 30 FFEDHM O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)NCCF ZINC000411494965 512662875 /nfs/dbraw/zinc/66/28/75/512662875.db2.gz UPSFNMPWHJSRLE-VIFPVBQESA-N -1 3 360.229 2.511 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2cncnc2)cn1 ZINC000374249098 512726362 /nfs/dbraw/zinc/72/63/62/512726362.db2.gz DWUVANZLQJXEOP-UHFFFAOYSA-N -1 3 374.404 2.699 20 30 FFEDHM Cc1ccc2[n-]cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)c(=O)c2c1 ZINC000376464698 512829451 /nfs/dbraw/zinc/82/94/51/512829451.db2.gz UFXYXEKKWJWSDM-UHFFFAOYSA-N -1 3 372.428 2.929 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000380762111 512873108 /nfs/dbraw/zinc/87/31/08/512873108.db2.gz XXLMVIYEVXANQG-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CCOCC2)[C@@H]1C ZINC000374945651 513084281 /nfs/dbraw/zinc/08/42/81/513084281.db2.gz AATQQDMYWCJKJI-HNNXBMFYSA-N -1 3 357.454 2.626 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000372931470 513107062 /nfs/dbraw/zinc/10/70/62/513107062.db2.gz MDOWDCUOYCGKLY-KDOFPFPSSA-N -1 3 360.410 2.753 20 30 FFEDHM C=CCC1(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)CCOCC1 ZINC000424559683 513182248 /nfs/dbraw/zinc/18/22/48/513182248.db2.gz LCIQRFUGJDDNFY-UHFFFAOYSA-N -1 3 356.419 2.509 20 30 FFEDHM N#C[C@H]1CC[C@H](Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)C1 ZINC000450782069 513338962 /nfs/dbraw/zinc/33/89/62/513338962.db2.gz VXVZKXDUFDQNNK-CABZTGNLSA-N -1 3 369.450 2.889 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)on2)c1 ZINC000447438212 513477353 /nfs/dbraw/zinc/47/73/53/513477353.db2.gz GDWRECIAXABJNW-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)on2)c1 ZINC000447438212 513477362 /nfs/dbraw/zinc/47/73/62/513477362.db2.gz GDWRECIAXABJNW-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM Cc1nc(C)c(CCC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c(=O)[n-]1 ZINC000416111821 513574958 /nfs/dbraw/zinc/57/49/58/513574958.db2.gz VGIZKVACISUCIV-SFHVURJKSA-N -1 3 350.422 2.797 20 30 FFEDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435426567 513581526 /nfs/dbraw/zinc/58/15/26/513581526.db2.gz IOVVIVJBLKHDMW-LBPRGKRZSA-N -1 3 350.465 2.785 20 30 FFEDHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435430270 513582379 /nfs/dbraw/zinc/58/23/79/513582379.db2.gz ZWVVVUYBIYGDOG-UHFFFAOYSA-N -1 3 358.448 2.592 20 30 FFEDHM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435437793 513588969 /nfs/dbraw/zinc/58/89/69/513588969.db2.gz MINGQKBXUMWPTN-GFCCVEGCSA-N -1 3 358.485 2.656 20 30 FFEDHM Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1)N(C)C ZINC000435443413 513591193 /nfs/dbraw/zinc/59/11/93/513591193.db2.gz QNVAUIQMHCQLRL-DYVFJYSZSA-N -1 3 363.508 2.898 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000435579286 513624961 /nfs/dbraw/zinc/62/49/61/513624961.db2.gz KEIINEOVUGANCF-YGRLFVJLSA-N -1 3 360.819 2.508 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1c(C)noc1C ZINC000451333529 513682374 /nfs/dbraw/zinc/68/23/74/513682374.db2.gz BEZQIOQWRAIIJZ-HNNXBMFYSA-N -1 3 351.403 2.873 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000436149306 513776422 /nfs/dbraw/zinc/77/64/22/513776422.db2.gz CQLVQMBVJFYVAZ-QZTJIDSGSA-N -1 3 374.400 2.874 20 30 FFEDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc(Cl)cc3C#N)nc2c1 ZINC000443007430 513840749 /nfs/dbraw/zinc/84/07/49/513840749.db2.gz ODTPPQWMBVPFHH-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC(F)(F)F ZINC000416603696 513861606 /nfs/dbraw/zinc/86/16/06/513861606.db2.gz WAYJMUGLWLNUKN-VIFPVBQESA-N -1 3 365.333 2.723 20 30 FFEDHM COc1cc([C@H](C#N)NC(=O)c2cc(C)ccc2[O-])cc(OC)c1OC ZINC000436607120 513914244 /nfs/dbraw/zinc/91/42/44/513914244.db2.gz OEHHZJNVIBYLII-AWEZNQCLSA-N -1 3 356.378 2.721 20 30 FFEDHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000451818635 514001468 /nfs/dbraw/zinc/00/14/68/514001468.db2.gz QFPVPXTXJAWNJA-UKRRQHHQSA-N -1 3 356.875 2.941 20 30 FFEDHM C=CCOc1ccc(CN[C@@H](Cn2nc(C)cc2C)C(=O)[O-])cc1Cl ZINC000426751057 514032278 /nfs/dbraw/zinc/03/22/78/514032278.db2.gz SGKABRVJXCOMFR-INIZCTEOSA-N -1 3 363.845 2.961 20 30 FFEDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000414369745 514071466 /nfs/dbraw/zinc/07/14/66/514071466.db2.gz JNGGZJWLIXYLOE-UHFFFAOYSA-N -1 3 366.361 2.666 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OCC ZINC000451987298 514112472 /nfs/dbraw/zinc/11/24/72/514112472.db2.gz GIGIASRFIIDFBF-AWEZNQCLSA-N -1 3 361.410 2.942 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000452002685 514125628 /nfs/dbraw/zinc/12/56/28/514125628.db2.gz YIDXQKYODQWSQK-WXRRBKDZSA-N -1 3 371.421 2.925 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420712003 514254385 /nfs/dbraw/zinc/25/43/85/514254385.db2.gz QMBJAGTYRRPYIS-HZMBPMFUSA-N -1 3 365.373 2.687 20 30 FFEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427791268 514316727 /nfs/dbraw/zinc/31/67/27/514316727.db2.gz WBPLFNBBTSYCPA-UHFFFAOYSA-N -1 3 365.798 2.503 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000452817575 514506318 /nfs/dbraw/zinc/50/63/18/514506318.db2.gz CQJDOJRCGIWHHN-QAPCUYQASA-N -1 3 359.470 2.776 20 30 FFEDHM COC(=O)c1cnc(SCC(=O)Nc2ccccc2SCC#N)[n-]1 ZINC000484562273 514692698 /nfs/dbraw/zinc/69/26/98/514692698.db2.gz WIODIQYPWPSYPO-UHFFFAOYSA-N -1 3 362.436 2.543 20 30 FFEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccnc(C#N)c2)[nH][n-]1 ZINC000479943096 514786564 /nfs/dbraw/zinc/78/65/64/514786564.db2.gz UKEYLVJNHFSBNV-UHFFFAOYSA-N -1 3 353.769 2.680 20 30 FFEDHM CN(C)C1(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CCCCCC1 ZINC000467144757 514916224 /nfs/dbraw/zinc/91/62/24/514916224.db2.gz SDSHDZMIBBLXAG-UHFFFAOYSA-N -1 3 371.453 2.769 20 30 FFEDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489829468 514991989 /nfs/dbraw/zinc/99/19/89/514991989.db2.gz KRVYFHQXGJUROR-UHFFFAOYSA-N -1 3 360.366 2.931 20 30 FFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1cccs1 ZINC000489850631 514999184 /nfs/dbraw/zinc/99/91/84/514999184.db2.gz NMEXTARZHTZFSR-OAHLLOKOSA-N -1 3 368.455 2.797 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1c(C)noc1C ZINC000480697514 515049214 /nfs/dbraw/zinc/04/92/14/515049214.db2.gz LFQJPKJTMWONGU-OAHLLOKOSA-N -1 3 351.403 2.873 20 30 FFEDHM C[C@H]1CCN(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)C1 ZINC000476494837 515071175 /nfs/dbraw/zinc/07/11/75/515071175.db2.gz UWAXWYCBGTYYJR-ZDUSSCGKSA-N -1 3 358.423 2.744 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCSCC(F)(F)F)c1 ZINC000476502810 515075117 /nfs/dbraw/zinc/07/51/17/515075117.db2.gz ACTPYQUKLKVXHQ-UHFFFAOYSA-N -1 3 358.794 2.785 20 30 FFEDHM CCOc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCC(=O)OC ZINC000503567956 515083731 /nfs/dbraw/zinc/08/37/31/515083731.db2.gz SXNLUIMMYXIAMT-ZDUSSCGKSA-N -1 3 374.418 2.892 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cscn2)c(C(F)(F)F)c1 ZINC000467791352 515120883 /nfs/dbraw/zinc/12/08/83/515120883.db2.gz ZFBFXLQNAHWRID-UHFFFAOYSA-N -1 3 361.370 2.555 20 30 FFEDHM Cc1csc(C2([N-]S(=O)(=O)Cc3ccc(C#N)cc3F)CCC2)n1 ZINC000481067865 515194993 /nfs/dbraw/zinc/19/49/93/515194993.db2.gz FDBHJDNXQRFFRV-UHFFFAOYSA-N -1 3 365.455 2.961 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1cc(C(F)(F)F)ccn1 ZINC000464425791 515820195 /nfs/dbraw/zinc/82/01/95/515820195.db2.gz KPDMGAQMDIOTDY-LLVKDONJSA-N -1 3 361.279 2.921 20 30 FFEDHM C[C@]1(c2ccc(CNc3ccc(Cl)cc3C#N)cc2)NC(=O)[N-]C1=O ZINC000511395914 515889122 /nfs/dbraw/zinc/88/91/22/515889122.db2.gz FOURBZRVXBARPS-GOSISDBHSA-N -1 3 354.797 2.878 20 30 FFEDHM O=S(=O)([N-]CCOC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC000474382886 516021987 /nfs/dbraw/zinc/02/19/87/516021987.db2.gz XYOMBOOUTGWUJR-UHFFFAOYSA-N -1 3 355.231 2.659 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000501445954 516107476 /nfs/dbraw/zinc/10/74/76/516107476.db2.gz FROIFRWBGKBQAO-GHMZBOCLSA-N -1 3 350.774 2.650 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483546066 516127576 /nfs/dbraw/zinc/12/75/76/516127576.db2.gz RTRPOCDGTBUBJO-UHFFFAOYSA-N -1 3 366.347 2.815 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483546066 516127582 /nfs/dbraw/zinc/12/75/82/516127582.db2.gz RTRPOCDGTBUBJO-UHFFFAOYSA-N -1 3 366.347 2.815 20 30 FFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483546066 516127588 /nfs/dbraw/zinc/12/75/88/516127588.db2.gz RTRPOCDGTBUBJO-UHFFFAOYSA-N -1 3 366.347 2.815 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)c3cc(-c4ccco4)[n-]n3)n2)c(F)c1 ZINC000543918381 516498318 /nfs/dbraw/zinc/49/83/18/516498318.db2.gz XCGRDNPBHGMSNV-UHFFFAOYSA-N -1 3 362.324 2.540 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)c3cc(-c4ccco4)n[n-]3)n2)c(F)c1 ZINC000543918381 516498328 /nfs/dbraw/zinc/49/83/28/516498328.db2.gz XCGRDNPBHGMSNV-UHFFFAOYSA-N -1 3 362.324 2.540 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)CCC1 ZINC000547785606 516561596 /nfs/dbraw/zinc/56/15/96/516561596.db2.gz WZSZEYDVNUWKKJ-HZPDHXFCSA-N -1 3 352.431 2.659 20 30 FFEDHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)CCC(C)(C)C#N)nc1C ZINC000554902555 516689459 /nfs/dbraw/zinc/68/94/59/516689459.db2.gz YNJWJNFDIVBAPL-NSHDSACASA-N -1 3 373.500 2.549 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC000554929359 516703124 /nfs/dbraw/zinc/70/31/24/516703124.db2.gz VFOPITNBZGVOLB-UHFFFAOYSA-N -1 3 371.418 2.939 20 30 FFEDHM Cc1nn(C)c2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4n3C)cc12 ZINC000513681796 516717211 /nfs/dbraw/zinc/71/72/11/516717211.db2.gz JMLKTDFQFITBES-OAHLLOKOSA-N -1 3 358.405 2.962 20 30 FFEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)cc(Br)c1OC ZINC000551511620 516737601 /nfs/dbraw/zinc/73/76/01/516737601.db2.gz WLUGQISGDLBRCF-SNVBAGLBSA-N -1 3 362.183 2.746 20 30 FFEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c1 ZINC000558599939 516829906 /nfs/dbraw/zinc/82/99/06/516829906.db2.gz WAFLRTIFPIKJEC-CQSZACIVSA-N -1 3 373.272 2.569 20 30 FFEDHM N#CCN1CCC(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1 ZINC000548305800 516886678 /nfs/dbraw/zinc/88/66/78/516886678.db2.gz BGOWJMAASSRJSM-UHFFFAOYSA-N -1 3 363.874 2.757 20 30 FFEDHM CCCCCn1nc(C([O-])=C(C#N)c2ccncn2)c2ccccc2c1=O ZINC000544816781 516942230 /nfs/dbraw/zinc/94/22/30/516942230.db2.gz HODQKPATFCHALR-INIZCTEOSA-N -1 3 361.405 2.867 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000562551893 517188977 /nfs/dbraw/zinc/18/89/77/517188977.db2.gz SQAJHAZHEVTCPJ-MNOVXSKESA-N -1 3 366.664 2.724 20 30 FFEDHM N#Cc1ccccc1-c1ccccc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000515089726 517208617 /nfs/dbraw/zinc/20/86/17/517208617.db2.gz HVLWPXLGVJLMNL-UHFFFAOYSA-N -1 3 356.385 2.919 20 30 FFEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000537904407 517398791 /nfs/dbraw/zinc/39/87/91/517398791.db2.gz CBXJBSLSPXQPMH-LLVKDONJSA-N -1 3 357.366 2.691 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000516075391 517556177 /nfs/dbraw/zinc/55/61/77/517556177.db2.gz LRDLYVBTVOCRNQ-KRWDZBQOSA-N -1 3 362.393 2.780 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000516075391 517556185 /nfs/dbraw/zinc/55/61/85/517556185.db2.gz LRDLYVBTVOCRNQ-KRWDZBQOSA-N -1 3 362.393 2.780 20 30 FFEDHM C[C@]1(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000556791628 517660880 /nfs/dbraw/zinc/66/08/80/517660880.db2.gz KHFQSZJATFYIPE-GOSISDBHSA-N -1 3 368.780 2.519 20 30 FFEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000542702567 517696134 /nfs/dbraw/zinc/69/61/34/517696134.db2.gz JXJOITYJUAYNDS-LBPRGKRZSA-N -1 3 358.872 2.679 20 30 FFEDHM CC(=O)c1cccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c1[O-] ZINC000556894040 517732232 /nfs/dbraw/zinc/73/22/32/517732232.db2.gz JPJLWVVQTKJJRO-UHFFFAOYSA-N -1 3 368.393 2.618 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c(F)c1 ZINC000530482144 517801244 /nfs/dbraw/zinc/80/12/44/517801244.db2.gz KTADQXBTSXZBDR-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)Cc3ccc([O-])cc3Cl)n2)c(F)c1 ZINC000542991402 517858082 /nfs/dbraw/zinc/85/80/82/517858082.db2.gz CLRYPNITDVELCQ-UHFFFAOYSA-N -1 3 370.771 2.845 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(N3CCCCC3)CCCCC2)o1 ZINC000553776351 517896914 /nfs/dbraw/zinc/89/69/14/517896914.db2.gz MBKWAUIGQMABQH-UHFFFAOYSA-N -1 3 351.472 2.618 20 30 FFEDHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000539384699 518020832 /nfs/dbraw/zinc/02/08/32/518020832.db2.gz CROYBJBLSNWNBS-DOTOQJQBSA-N -1 3 360.410 2.930 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOCC2CCC2)c(C(F)(F)F)c1 ZINC000569638634 518213522 /nfs/dbraw/zinc/21/35/22/518213522.db2.gz OKTLONJKCAXHCV-UHFFFAOYSA-N -1 3 362.373 2.672 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nc2c(s1)CCC2 ZINC000569694468 518245437 /nfs/dbraw/zinc/24/54/37/518245437.db2.gz VIHBNFBCBUWDMQ-SNVBAGLBSA-N -1 3 365.455 2.823 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000573556648 518725831 /nfs/dbraw/zinc/72/58/31/518725831.db2.gz NYNMMNPZEILDSB-DQTJMLIDSA-N -1 3 351.450 2.879 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000579570361 518743347 /nfs/dbraw/zinc/74/33/47/518743347.db2.gz VGWGKVOQBZSKMF-AAEUAGOBSA-N -1 3 355.257 2.645 20 30 FFEDHM N#Cc1cnn(-c2ccccc2NC(=O)c2cc(-c3ccco3)[n-]n2)c1N ZINC000588839138 518845280 /nfs/dbraw/zinc/84/52/80/518845280.db2.gz VHBKTZFWRFTJFV-UHFFFAOYSA-N -1 3 359.349 2.562 20 30 FFEDHM N#Cc1cnn(-c2ccccc2NC(=O)c2cc(-c3ccco3)n[n-]2)c1N ZINC000588839138 518845284 /nfs/dbraw/zinc/84/52/84/518845284.db2.gz VHBKTZFWRFTJFV-UHFFFAOYSA-N -1 3 359.349 2.562 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1nc(Cc2ccccc2)no1 ZINC000570973975 518866130 /nfs/dbraw/zinc/86/61/30/518866130.db2.gz FQSMHOJJTWLMSV-CYBMUJFWSA-N -1 3 362.455 2.581 20 30 FFEDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589194111 518947710 /nfs/dbraw/zinc/94/77/10/518947710.db2.gz YUDNUJFGDBZIBM-AWEZNQCLSA-N -1 3 350.422 2.614 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1OCCc2sccc21 ZINC000589935283 519107541 /nfs/dbraw/zinc/10/75/41/519107541.db2.gz QJYZVTLDTUSMJS-MGPLVRAMSA-N -1 3 366.439 2.740 20 30 FFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn(-c4cccnc4)nn3)sc2C1 ZINC000580938075 519435830 /nfs/dbraw/zinc/43/58/30/519435830.db2.gz PIYDVDXJQHBEMQ-LLVKDONJSA-N -1 3 364.434 2.973 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)c(C)s1 ZINC000584053236 519567376 /nfs/dbraw/zinc/56/73/76/519567376.db2.gz CNUVPTRSAKBFPX-UHFFFAOYSA-N -1 3 364.448 2.851 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594474663 519983971 /nfs/dbraw/zinc/98/39/71/519983971.db2.gz QIFRXCGAEJJVHV-ZBFHGGJFSA-N -1 3 354.859 2.838 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 ZINC000594475838 519986334 /nfs/dbraw/zinc/98/63/34/519986334.db2.gz XJULWALULYFVKM-ZBFHGGJFSA-N -1 3 354.859 2.838 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594486845 519997474 /nfs/dbraw/zinc/99/74/74/519997474.db2.gz JQOBMVFNUHLOHV-OCCSQVGLSA-N -1 3 362.373 2.645 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCCCC1 ZINC000594722110 520111566 /nfs/dbraw/zinc/11/15/66/520111566.db2.gz YZUACKGORXLVDA-UHFFFAOYSA-N -1 3 360.395 2.648 20 30 FFEDHM CC[C@](C)([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(=O)OC ZINC000594751754 520133233 /nfs/dbraw/zinc/13/32/33/520133233.db2.gz DHJLUPORFMWHQI-INIZCTEOSA-N -1 3 366.464 2.701 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO ZINC000594770523 520148105 /nfs/dbraw/zinc/14/81/05/520148105.db2.gz JPEFCFDWXZVMSQ-ZFWWWQNUSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)c1ccn(C)n1 ZINC000594784394 520156813 /nfs/dbraw/zinc/15/68/13/520156813.db2.gz WQKLJGVBRFQTGT-NSHDSACASA-N -1 3 360.464 2.854 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3cc(F)ccc3C2)CCCCC1 ZINC000594854415 520190838 /nfs/dbraw/zinc/19/08/38/520190838.db2.gz JVRYYXOGTDDXKZ-HNNXBMFYSA-N -1 3 352.431 2.523 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000609287154 520259358 /nfs/dbraw/zinc/25/93/58/520259358.db2.gz IVBQWXBXUSQZMH-OAHLLOKOSA-N -1 3 363.826 2.706 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000617036692 520296390 /nfs/dbraw/zinc/29/63/90/520296390.db2.gz DBANPKFFUYOJMF-BFHYXJOUSA-N -1 3 356.513 2.666 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000617039732 520298111 /nfs/dbraw/zinc/29/81/11/520298111.db2.gz KYDWCIUTUVXXLF-OWDMVUQNSA-N -1 3 355.438 2.606 20 30 FFEDHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1)C1CC1 ZINC000600653731 520376827 /nfs/dbraw/zinc/37/68/27/520376827.db2.gz OVFNVIUVJSULQS-KRWDZBQOSA-N -1 3 352.456 2.902 20 30 FFEDHM C[C@H](C#N)N(C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1)C1CC1 ZINC000598134783 520445070 /nfs/dbraw/zinc/44/50/70/520445070.db2.gz YWFRPSGYWRUDSY-LLVKDONJSA-N -1 3 370.434 2.547 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2Cc2ccccc2)c(F)c1 ZINC000610085540 520533367 /nfs/dbraw/zinc/53/33/67/520533367.db2.gz WAPQYIYWWHTCHA-QGZVFWFLSA-N -1 3 373.453 2.640 20 30 FFEDHM C=CCc1ccc(OCC(=O)Nc2nc(C)[n-]c2C(=O)OCC)c(OC)c1 ZINC000610108674 520544718 /nfs/dbraw/zinc/54/47/18/520544718.db2.gz BPICDYLLNYNVEW-UHFFFAOYSA-N -1 3 373.409 2.649 20 30 FFEDHM C=CCc1ccc(OCC(=O)Nc2[n-]c(C)nc2C(=O)OCC)c(OC)c1 ZINC000610108674 520544727 /nfs/dbraw/zinc/54/47/27/520544727.db2.gz BPICDYLLNYNVEW-UHFFFAOYSA-N -1 3 373.409 2.649 20 30 FFEDHM CCCCOCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604474037 520571938 /nfs/dbraw/zinc/57/19/38/520571938.db2.gz NOKKIJFXJQDOTL-UHFFFAOYSA-N -1 3 350.362 2.672 20 30 FFEDHM C=CC[C@H]1CCCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000595660475 520628877 /nfs/dbraw/zinc/62/88/77/520628877.db2.gz RJHIBXBQFDLZGC-LBPRGKRZSA-N -1 3 361.467 2.868 20 30 FFEDHM CCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1C ZINC000598466479 520630306 /nfs/dbraw/zinc/63/03/06/520630306.db2.gz BRVMUHSIJRZLMP-UHFFFAOYSA-N -1 3 354.410 2.949 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cnnn2)cc1)c1nc2cc(F)ccc2s1 ZINC000592973538 520666220 /nfs/dbraw/zinc/66/62/20/520666220.db2.gz HEBQSWGFPYDIHU-CYBMUJFWSA-N -1 3 364.365 2.901 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCCc1ccccc1 ZINC000611013495 520946873 /nfs/dbraw/zinc/94/68/73/520946873.db2.gz RNHAHFJFDXQCSL-UHFFFAOYSA-N -1 3 359.407 2.768 20 30 FFEDHM N#Cc1[n-]c(=NCCCCn2cc(Br)cn2)sc1Cl ZINC000596223151 520979734 /nfs/dbraw/zinc/97/97/34/520979734.db2.gz MXNKCTWYYJTKKV-UHFFFAOYSA-N -1 3 360.668 2.941 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)Oc1cccc(F)c1 ZINC000593556857 521073289 /nfs/dbraw/zinc/07/32/89/521073289.db2.gz ADHYOLJLAKDACL-LBPRGKRZSA-N -1 3 354.428 2.895 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000593560582 521078466 /nfs/dbraw/zinc/07/84/66/521078466.db2.gz VHQCCNCGRGMINR-LBPRGKRZSA-N -1 3 367.883 2.830 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@H]1OCCc2sccc21 ZINC000593598140 521098714 /nfs/dbraw/zinc/09/87/14/521098714.db2.gz OVOFZDNLYSSGED-LKFCYVNXSA-N -1 3 354.478 2.662 20 30 FFEDHM C[C@@]1([N-]S(=O)(=O)c2ccsc2C#N)CCN(Cc2ccccc2)C1 ZINC000593660963 521137239 /nfs/dbraw/zinc/13/72/39/521137239.db2.gz UASSVSIBWOSLQQ-QGZVFWFLSA-N -1 3 361.492 2.563 20 30 FFEDHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000611539337 521209392 /nfs/dbraw/zinc/20/93/92/521209392.db2.gz SMMIYTJCZOAMBE-MLGOLLRUSA-N -1 3 364.854 2.655 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2Cc3ccccc3C2)c(Cl)c1 ZINC000611538829 521209755 /nfs/dbraw/zinc/20/97/55/521209755.db2.gz GQWYAMVNOLDHOV-UHFFFAOYSA-N -1 3 361.854 2.506 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NCC(C)(C)C#N)ccc1F ZINC000611621413 521254444 /nfs/dbraw/zinc/25/44/44/521254444.db2.gz SVZVGXMKYKXPFA-UHFFFAOYSA-N -1 3 370.450 2.574 20 30 FFEDHM N#CC1(c2ccc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)cc2)CC1 ZINC000596984589 521425057 /nfs/dbraw/zinc/42/50/57/521425057.db2.gz DWEHGSHEDSLLQD-UHFFFAOYSA-N -1 3 361.445 2.905 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000619462962 521580682 /nfs/dbraw/zinc/58/06/82/521580682.db2.gz IHWGGLXAIPADFK-KRWDZBQOSA-N -1 3 358.419 2.721 20 30 FFEDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000619488320 521594890 /nfs/dbraw/zinc/59/48/90/521594890.db2.gz QLICLDMUXCGQPD-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)c2cccc(F)c2F)CCCCC1 ZINC000632604433 522187449 /nfs/dbraw/zinc/18/74/49/522187449.db2.gz KFZCQSHIQLEHEX-UHFFFAOYSA-N -1 3 356.394 2.541 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cccc(O[C@H](C)CC)c2)nn1 ZINC000632635016 522202189 /nfs/dbraw/zinc/20/21/89/522202189.db2.gz CMYCOWSRARBITL-CQSZACIVSA-N -1 3 364.471 2.510 20 30 FFEDHM C=CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])[C@@H]2CCCO2)cc1OC ZINC000630466393 522865020 /nfs/dbraw/zinc/86/50/20/522865020.db2.gz ZRBKZXBFKXPKOS-ZFWWWQNUSA-N -1 3 355.818 2.635 20 30 FFEDHM Cc1c(Cl)cnc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1C#N ZINC000541347592 562609806 /nfs/dbraw/zinc/60/98/06/562609806.db2.gz ACAQKWXXQAJSDN-GOSISDBHSA-N -1 3 369.812 2.582 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C(C)C)no1 ZINC000735418460 598863963 /nfs/dbraw/zinc/86/39/63/598863963.db2.gz FHRYPFUMTAOPGZ-UHFFFAOYSA-N -1 3 352.398 2.807 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C(C)C)no1 ZINC000735418460 598863965 /nfs/dbraw/zinc/86/39/65/598863965.db2.gz FHRYPFUMTAOPGZ-UHFFFAOYSA-N -1 3 352.398 2.807 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1C ZINC000819772658 607252924 /nfs/dbraw/zinc/25/29/24/607252924.db2.gz IOZFOQNNLNCBDQ-UHFFFAOYSA-N -1 3 351.370 2.597 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1C ZINC000819772658 607252923 /nfs/dbraw/zinc/25/29/23/607252923.db2.gz IOZFOQNNLNCBDQ-UHFFFAOYSA-N -1 3 351.370 2.597 20 30 FFEDHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736184188 598920669 /nfs/dbraw/zinc/92/06/69/598920669.db2.gz WMLXONWEEGKZLV-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736184188 598920670 /nfs/dbraw/zinc/92/06/70/598920670.db2.gz WMLXONWEEGKZLV-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1C#N ZINC000736189148 599065640 /nfs/dbraw/zinc/06/56/40/599065640.db2.gz AZJNFZWFJQDDAP-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1C#N ZINC000736189148 599065645 /nfs/dbraw/zinc/06/56/45/599065645.db2.gz AZJNFZWFJQDDAP-JTQLQIEISA-N -1 3 368.397 2.997 20 30 FFEDHM N#Cc1ccc2ncc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)n2c1 ZINC000822837363 599114060 /nfs/dbraw/zinc/11/40/60/599114060.db2.gz LGWPKCOWLCQQFB-ZSOIEALJSA-N -1 3 367.372 2.599 20 30 FFEDHM N#Cc1ccc2ncc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)n2c1 ZINC000822837363 599114063 /nfs/dbraw/zinc/11/40/63/599114063.db2.gz LGWPKCOWLCQQFB-ZSOIEALJSA-N -1 3 367.372 2.599 20 30 FFEDHM N#Cc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000822837319 599114384 /nfs/dbraw/zinc/11/43/84/599114384.db2.gz JXJDLDQZJKUGQC-RIYZIHGNSA-N -1 3 367.372 2.599 20 30 FFEDHM N#Cc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000822837319 599114387 /nfs/dbraw/zinc/11/43/87/599114387.db2.gz JXJDLDQZJKUGQC-RIYZIHGNSA-N -1 3 367.372 2.599 20 30 FFEDHM COc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000737082941 599128950 /nfs/dbraw/zinc/12/89/50/599128950.db2.gz MVYHLGDYRUCWJJ-UHFFFAOYSA-N -1 3 353.342 2.538 20 30 FFEDHM COc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000737082941 599128952 /nfs/dbraw/zinc/12/89/52/599128952.db2.gz MVYHLGDYRUCWJJ-UHFFFAOYSA-N -1 3 353.342 2.538 20 30 FFEDHM COc1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2C)cc1-c1nnn[n-]1 ZINC000737081512 599157271 /nfs/dbraw/zinc/15/72/71/599157271.db2.gz OGETWLPPRRNMQG-QPJJXVBHSA-N -1 3 365.349 2.988 20 30 FFEDHM COc1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2C)cc1-c1nn[n-]n1 ZINC000737081512 599157273 /nfs/dbraw/zinc/15/72/73/599157273.db2.gz OGETWLPPRRNMQG-QPJJXVBHSA-N -1 3 365.349 2.988 20 30 FFEDHM C=CCOc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819759052 599168017 /nfs/dbraw/zinc/16/80/17/599168017.db2.gz MQTYGPLMEQBGSN-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCOc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819759052 599168020 /nfs/dbraw/zinc/16/80/20/599168020.db2.gz MQTYGPLMEQBGSN-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1C(C)(C)C ZINC000736672110 599191816 /nfs/dbraw/zinc/19/18/16/599191816.db2.gz YPHCBHODKQKUML-UHFFFAOYSA-N -1 3 364.413 2.505 20 30 FFEDHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1C(C)(C)C ZINC000736672110 599191818 /nfs/dbraw/zinc/19/18/18/599191818.db2.gz YPHCBHODKQKUML-UHFFFAOYSA-N -1 3 364.413 2.505 20 30 FFEDHM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737215481 599198308 /nfs/dbraw/zinc/19/83/08/599198308.db2.gz IXAXAVRPWLCQKX-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737215481 599198310 /nfs/dbraw/zinc/19/83/10/599198310.db2.gz IXAXAVRPWLCQKX-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000822015234 607321631 /nfs/dbraw/zinc/32/16/31/607321631.db2.gz GAAVSOWCSMZSCS-GOSISDBHSA-N -1 3 373.420 2.654 20 30 FFEDHM C=CCN(CC[S@@](=O)c1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735418836 598245150 /nfs/dbraw/zinc/24/51/50/598245150.db2.gz JVBHUADPMVRNJI-AREMUKBSSA-N -1 3 367.478 2.663 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1scnc1C ZINC000735420061 598269808 /nfs/dbraw/zinc/26/98/08/598269808.db2.gz MIBHHERWLKFEIZ-UHFFFAOYSA-N -1 3 369.454 2.529 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1scnc1C ZINC000735420061 598269809 /nfs/dbraw/zinc/26/98/09/598269809.db2.gz MIBHHERWLKFEIZ-UHFFFAOYSA-N -1 3 369.454 2.529 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCc3sccc32)ccc1-c1nnn[n-]1 ZINC000822823770 607353003 /nfs/dbraw/zinc/35/30/03/607353003.db2.gz ZBJJMAOJZBPNKV-CQSZACIVSA-N -1 3 350.407 2.858 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCc3sccc32)ccc1-c1nn[n-]n1 ZINC000822823770 607353005 /nfs/dbraw/zinc/35/30/05/607353005.db2.gz ZBJJMAOJZBPNKV-CQSZACIVSA-N -1 3 350.407 2.858 20 30 FFEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000737673717 598383426 /nfs/dbraw/zinc/38/34/26/598383426.db2.gz CNCOCVLNZLUMAG-JCVNQNCUSA-N -1 3 364.796 2.914 20 30 FFEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000737673717 598383427 /nfs/dbraw/zinc/38/34/27/598383427.db2.gz CNCOCVLNZLUMAG-JCVNQNCUSA-N -1 3 364.796 2.914 20 30 FFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738178332 598441159 /nfs/dbraw/zinc/44/11/59/598441159.db2.gz JSJFIJIEUYLLSB-UHFFFAOYSA-N -1 3 372.413 2.975 20 30 FFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738178332 598441161 /nfs/dbraw/zinc/44/11/61/598441161.db2.gz JSJFIJIEUYLLSB-UHFFFAOYSA-N -1 3 372.413 2.975 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735660631 598486195 /nfs/dbraw/zinc/48/61/95/598486195.db2.gz FJPCUDBLBAEZPM-CMDGGOBGSA-N -1 3 361.409 2.947 20 30 FFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735660631 598486197 /nfs/dbraw/zinc/48/61/97/598486197.db2.gz FJPCUDBLBAEZPM-CMDGGOBGSA-N -1 3 361.409 2.947 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736169725 598491800 /nfs/dbraw/zinc/49/18/00/598491800.db2.gz OMXVBRMWCJSDTG-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736169725 598491801 /nfs/dbraw/zinc/49/18/01/598491801.db2.gz OMXVBRMWCJSDTG-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735648180 598535706 /nfs/dbraw/zinc/53/57/06/598535706.db2.gz OPFUPAIWBAPOQJ-INIZCTEOSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735648180 598535708 /nfs/dbraw/zinc/53/57/08/598535708.db2.gz OPFUPAIWBAPOQJ-INIZCTEOSA-N -1 3 361.409 2.554 20 30 FFEDHM C=C(Cl)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735402016 598558199 /nfs/dbraw/zinc/55/81/99/598558199.db2.gz DROPUEYFIAREMW-UHFFFAOYSA-N -1 3 360.757 2.948 20 30 FFEDHM C[C@@H](C#N)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000735502590 598625364 /nfs/dbraw/zinc/62/53/64/598625364.db2.gz GMAGYZPKWGHOKQ-LBPRGKRZSA-N -1 3 364.434 2.907 20 30 FFEDHM C[C@@H](C#N)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000735502590 598625366 /nfs/dbraw/zinc/62/53/66/598625366.db2.gz GMAGYZPKWGHOKQ-LBPRGKRZSA-N -1 3 364.434 2.907 20 30 FFEDHM Cc1c(C(=O)C=C2COc3ccc(F)cc32)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202112 598639001 /nfs/dbraw/zinc/63/90/01/598639001.db2.gz JUQDMFYDHODGHC-YRNVUSSQSA-N -1 3 365.368 2.721 20 30 FFEDHM Cc1c(C(=O)C=C2COc3ccc(F)cc32)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202112 598639003 /nfs/dbraw/zinc/63/90/03/598639003.db2.gz JUQDMFYDHODGHC-YRNVUSSQSA-N -1 3 365.368 2.721 20 30 FFEDHM C=CC1CCN(C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000735402889 598666009 /nfs/dbraw/zinc/66/60/09/598666009.db2.gz MERQAVOXGACXKS-KRWDZBQOSA-N -1 3 355.442 2.695 20 30 FFEDHM C=CC1CCN(C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000735402889 598666010 /nfs/dbraw/zinc/66/60/10/598666010.db2.gz MERQAVOXGACXKS-KRWDZBQOSA-N -1 3 355.442 2.695 20 30 FFEDHM N#Cc1cccc(NC(=O)CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737730322 598698478 /nfs/dbraw/zinc/69/84/78/598698478.db2.gz IFKDMBGVZPQHBK-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1cccc(NC(=O)CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737730322 598698479 /nfs/dbraw/zinc/69/84/79/598698479.db2.gz IFKDMBGVZPQHBK-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1cc(F)ccc1CSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737704424 598698505 /nfs/dbraw/zinc/69/85/05/598698505.db2.gz IDGUKHUZEYKZHV-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1cc(F)ccc1CSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737704424 598698506 /nfs/dbraw/zinc/69/85/06/598698506.db2.gz IDGUKHUZEYKZHV-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819745782 599459626 /nfs/dbraw/zinc/45/96/26/599459626.db2.gz RNKJLTFRBSCNJA-UHFFFAOYSA-N -1 3 372.429 2.965 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819745782 599459627 /nfs/dbraw/zinc/45/96/27/599459627.db2.gz RNKJLTFRBSCNJA-UHFFFAOYSA-N -1 3 372.429 2.965 20 30 FFEDHM C=CCN(Cc1nc([C@@H](C)OCC)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426287 599474500 /nfs/dbraw/zinc/47/45/00/599474500.db2.gz OPZGRYBARWFEIS-CYBMUJFWSA-N -1 3 369.429 2.535 20 30 FFEDHM C=CCN(Cc1nc([C@@H](C)OCC)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426287 599474502 /nfs/dbraw/zinc/47/45/02/599474502.db2.gz OPZGRYBARWFEIS-CYBMUJFWSA-N -1 3 369.429 2.535 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCC#Cc1ccccc1 ZINC000820549663 599625320 /nfs/dbraw/zinc/62/53/20/599625320.db2.gz PXQXXXZZBVCRLR-OAHLLOKOSA-N -1 3 362.389 2.619 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCC#Cc1ccccc1 ZINC000820549663 599625321 /nfs/dbraw/zinc/62/53/21/599625321.db2.gz PXQXXXZZBVCRLR-OAHLLOKOSA-N -1 3 362.389 2.619 20 30 FFEDHM CCOc1c(F)cccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000821390629 599631978 /nfs/dbraw/zinc/63/19/78/599631978.db2.gz ZZDJDRSPWBRERU-UHFFFAOYSA-N -1 3 352.329 2.528 20 30 FFEDHM CCOc1c(F)cccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000821390629 599631979 /nfs/dbraw/zinc/63/19/79/599631979.db2.gz ZZDJDRSPWBRERU-UHFFFAOYSA-N -1 3 352.329 2.528 20 30 FFEDHM C=CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000819734809 599674661 /nfs/dbraw/zinc/67/46/61/599674661.db2.gz ULAGLQXMSWBNHF-DYVFJYSZSA-N -1 3 363.425 2.939 20 30 FFEDHM C=CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000819734809 599674662 /nfs/dbraw/zinc/67/46/62/599674662.db2.gz ULAGLQXMSWBNHF-DYVFJYSZSA-N -1 3 363.425 2.939 20 30 FFEDHM C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499401 607392399 /nfs/dbraw/zinc/39/23/99/607392399.db2.gz OVTXNXKATPXMMU-ZDUSSCGKSA-N -1 3 373.420 2.788 20 30 FFEDHM C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499401 607392401 /nfs/dbraw/zinc/39/24/01/607392401.db2.gz OVTXNXKATPXMMU-ZDUSSCGKSA-N -1 3 373.420 2.788 20 30 FFEDHM Cc1cc(CNCc2ccc(OCC#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000738392083 599860148 /nfs/dbraw/zinc/86/01/48/599860148.db2.gz HKHBBATZKMASNA-UHFFFAOYSA-N -1 3 354.406 2.959 20 30 FFEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000737416098 599911772 /nfs/dbraw/zinc/91/17/72/599911772.db2.gz YJEJHPSFVLEWTH-SNVBAGLBSA-N -1 3 355.753 2.516 20 30 FFEDHM N#Cc1cccc([C@@H](NCc2ccc(N3CCCCC3=O)cc2)C(=O)[O-])c1 ZINC000833076142 601302572 /nfs/dbraw/zinc/30/25/72/601302572.db2.gz QQVIRFDGGXTCJQ-HXUWFJFHSA-N -1 3 363.417 2.991 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cn1 ZINC000823862147 607770258 /nfs/dbraw/zinc/77/02/58/607770258.db2.gz YPZZBIWTOJBTIM-UHFFFAOYSA-N -1 3 373.401 2.619 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cn1 ZINC000823862147 607770259 /nfs/dbraw/zinc/77/02/59/607770259.db2.gz YPZZBIWTOJBTIM-UHFFFAOYSA-N -1 3 373.401 2.619 20 30 FFEDHM COc1ccc([C@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000821777648 606127620 /nfs/dbraw/zinc/12/76/20/606127620.db2.gz KFZMJECLFTZYGB-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1ccc([C@H](C)CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000821777648 606127622 /nfs/dbraw/zinc/12/76/22/606127622.db2.gz KFZMJECLFTZYGB-GFCCVEGCSA-N -1 3 362.393 2.879 20 30 FFEDHM Cc1cccc(C)c1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822293832 606369123 /nfs/dbraw/zinc/36/91/23/606369123.db2.gz NKJUVDNLJBHUHA-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM N#Cc1nc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1Cl ZINC000822845996 606463535 /nfs/dbraw/zinc/46/35/35/606463535.db2.gz MLNLCZQNDAZZQJ-UHFFFAOYSA-N -1 3 351.801 2.956 20 30 FFEDHM N#Cc1nc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1Cl ZINC000822845996 606463537 /nfs/dbraw/zinc/46/35/37/606463537.db2.gz MLNLCZQNDAZZQJ-UHFFFAOYSA-N -1 3 351.801 2.956 20 30 FFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819710172 606463699 /nfs/dbraw/zinc/46/36/99/606463699.db2.gz YICKFYXGKUARTR-NSHDSACASA-N -1 3 354.391 2.858 20 30 FFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819710172 606463701 /nfs/dbraw/zinc/46/37/01/606463701.db2.gz YICKFYXGKUARTR-NSHDSACASA-N -1 3 354.391 2.858 20 30 FFEDHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000821859511 606604472 /nfs/dbraw/zinc/60/44/72/606604472.db2.gz PCNRGSNUSXIFOT-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000821859511 606604474 /nfs/dbraw/zinc/60/44/74/606604474.db2.gz PCNRGSNUSXIFOT-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCc2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000822829820 606681170 /nfs/dbraw/zinc/68/11/70/606681170.db2.gz KPTUSWWWOCQOHF-UHFFFAOYSA-N -1 3 368.347 2.978 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCc2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000822829820 606681171 /nfs/dbraw/zinc/68/11/71/606681171.db2.gz KPTUSWWWOCQOHF-UHFFFAOYSA-N -1 3 368.347 2.978 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1cc(C#N)ccc1Cl ZINC000822224086 606713194 /nfs/dbraw/zinc/71/31/94/606713194.db2.gz VWYMUHGWZPIXCV-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM N#CCc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822814886 606785206 /nfs/dbraw/zinc/78/52/06/606785206.db2.gz KNJRJUXLNDWJMD-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM N#CCc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822814886 606785208 /nfs/dbraw/zinc/78/52/08/606785208.db2.gz KNJRJUXLNDWJMD-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM CC(C)CN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820086799 606921813 /nfs/dbraw/zinc/92/18/13/606921813.db2.gz FRHICZHDTPNFSX-LJQANCHMSA-N -1 3 362.437 2.934 20 30 FFEDHM CC(C)CN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820086799 606921815 /nfs/dbraw/zinc/92/18/15/606921815.db2.gz FRHICZHDTPNFSX-LJQANCHMSA-N -1 3 362.437 2.934 20 30 FFEDHM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)c1ccccc1C#N ZINC000825999401 607847735 /nfs/dbraw/zinc/84/77/35/607847735.db2.gz ZPQDLIMWWFFAAL-UHFFFAOYSA-N -1 3 356.393 2.696 20 30 FFEDHM CN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)c1ccccc1C#N ZINC000825999401 607847736 /nfs/dbraw/zinc/84/77/36/607847736.db2.gz ZPQDLIMWWFFAAL-UHFFFAOYSA-N -1 3 356.393 2.696 20 30 FFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823856265 607885762 /nfs/dbraw/zinc/88/57/62/607885762.db2.gz NVZGQDCBKMTDLF-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823856265 607885763 /nfs/dbraw/zinc/88/57/63/607885763.db2.gz NVZGQDCBKMTDLF-UHFFFAOYSA-N -1 3 363.377 2.637 20 30 FFEDHM Cn1c(C=NNCc2ccc(-c3nnn[n-]3)cc2)nc2cc(Cl)ccc21 ZINC000826355441 607890368 /nfs/dbraw/zinc/89/03/68/607890368.db2.gz ZUQCQYMSBFWKNO-UHFFFAOYSA-N -1 3 366.816 2.531 20 30 FFEDHM Cn1c(C=NNCc2ccc(-c3nn[n-]n3)cc2)nc2cc(Cl)ccc21 ZINC000826355441 607890369 /nfs/dbraw/zinc/89/03/69/607890369.db2.gz ZUQCQYMSBFWKNO-UHFFFAOYSA-N -1 3 366.816 2.531 20 30 FFEDHM C=C(C)[C@H](CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1)OCC ZINC000823873652 607924019 /nfs/dbraw/zinc/92/40/19/607924019.db2.gz OVTZXWDZWLSDAO-CJNGLKHVSA-N -1 3 360.414 2.549 20 30 FFEDHM C=C(C)[C@H](CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1)OCC ZINC000823873652 607924020 /nfs/dbraw/zinc/92/40/20/607924020.db2.gz OVTZXWDZWLSDAO-CJNGLKHVSA-N -1 3 360.414 2.549 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000823909762 608032777 /nfs/dbraw/zinc/03/27/77/608032777.db2.gz PXDNYUYXTKPORB-ZDUSSCGKSA-N -1 3 351.414 2.654 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000823909762 608032778 /nfs/dbraw/zinc/03/27/78/608032778.db2.gz PXDNYUYXTKPORB-ZDUSSCGKSA-N -1 3 351.414 2.654 20 30 FFEDHM Clc1nc2ccccn2c1C=NOCc1cccc(-c2nnn[n-]2)c1 ZINC000826353752 608152852 /nfs/dbraw/zinc/15/28/52/608152852.db2.gz CKEAIHSEXFFEJJ-UHFFFAOYSA-N -1 3 353.773 2.719 20 30 FFEDHM Clc1nc2ccccn2c1C=NOCc1cccc(-c2nn[n-]n2)c1 ZINC000826353752 608152854 /nfs/dbraw/zinc/15/28/54/608152854.db2.gz CKEAIHSEXFFEJJ-UHFFFAOYSA-N -1 3 353.773 2.719 20 30 FFEDHM C#Cc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC000823861260 608344204 /nfs/dbraw/zinc/34/42/04/608344204.db2.gz BLDGADNCMHCYPZ-UHFFFAOYSA-N -1 3 352.785 2.563 20 30 FFEDHM C#Cc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC000823861260 608344206 /nfs/dbraw/zinc/34/42/06/608344206.db2.gz BLDGADNCMHCYPZ-UHFFFAOYSA-N -1 3 352.785 2.563 20 30 FFEDHM N#Cc1csc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826387616 608480541 /nfs/dbraw/zinc/48/05/41/608480541.db2.gz GNICXJKTECQBCU-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM N#Cc1csc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826387616 608480542 /nfs/dbraw/zinc/48/05/42/608480542.db2.gz GNICXJKTECQBCU-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM C#CC[C@@H](NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1 ZINC000823839010 608517781 /nfs/dbraw/zinc/51/77/81/608517781.db2.gz YHBDXSKJGPKECV-QGZVFWFLSA-N -1 3 371.404 2.771 20 30 FFEDHM C#CC[C@@H](NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccccc1 ZINC000823839010 608517784 /nfs/dbraw/zinc/51/77/84/608517784.db2.gz YHBDXSKJGPKECV-QGZVFWFLSA-N -1 3 371.404 2.771 20 30 FFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccccc1CC#N ZINC000825319091 609162524 /nfs/dbraw/zinc/16/25/24/609162524.db2.gz XRUYAUNNUBEXKY-UHFFFAOYSA-N -1 3 374.448 2.914 20 30 FFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccccc1CC#N ZINC000825319091 609162525 /nfs/dbraw/zinc/16/25/25/609162525.db2.gz XRUYAUNNUBEXKY-UHFFFAOYSA-N -1 3 374.448 2.914 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823999661 609370501 /nfs/dbraw/zinc/37/05/01/609370501.db2.gz GESNFFQZPDGMEZ-TWGQIWQCSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823999661 609370503 /nfs/dbraw/zinc/37/05/03/609370503.db2.gz GESNFFQZPDGMEZ-TWGQIWQCSA-N -1 3 351.341 2.860 20 30 FFEDHM Cc1ccc(C)c2c1NC(=O)C2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826285327 609471699 /nfs/dbraw/zinc/47/16/99/609471699.db2.gz WHLNNKFDSYSFOO-UHFFFAOYSA-N -1 3 367.800 2.905 20 30 FFEDHM Cc1ccc(C)c2c1NC(=O)C2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826285327 609471701 /nfs/dbraw/zinc/47/17/01/609471701.db2.gz WHLNNKFDSYSFOO-UHFFFAOYSA-N -1 3 367.800 2.905 20 30 FFEDHM COc1ccc2c(c1)OCC2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826213139 609474113 /nfs/dbraw/zinc/47/41/13/609474113.db2.gz MDXMVHQXNFNENY-UHFFFAOYSA-N -1 3 356.773 2.737 20 30 FFEDHM COc1ccc2c(c1)OCC2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826213139 609474116 /nfs/dbraw/zinc/47/41/16/609474116.db2.gz MDXMVHQXNFNENY-UHFFFAOYSA-N -1 3 356.773 2.737 20 30 FFEDHM C#CCCCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823840935 609579948 /nfs/dbraw/zinc/57/99/48/609579948.db2.gz GVIOWUJAYVLDEE-UHFFFAOYSA-N -1 3 370.413 2.957 20 30 FFEDHM C#CCCCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823840935 609579949 /nfs/dbraw/zinc/57/99/49/609579949.db2.gz GVIOWUJAYVLDEE-UHFFFAOYSA-N -1 3 370.413 2.957 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000824777486 609600260 /nfs/dbraw/zinc/60/02/60/609600260.db2.gz JGIMPYVUSNVFRV-KRWDZBQOSA-N -1 3 355.352 2.823 20 30 FFEDHM C[C@@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000824777486 609600263 /nfs/dbraw/zinc/60/02/63/609600263.db2.gz JGIMPYVUSNVFRV-KRWDZBQOSA-N -1 3 355.352 2.823 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)[C@H](C)C(F)(F)F)C1=O ZINC000743288210 735287810 /nfs/dbraw/zinc/28/78/10/735287810.db2.gz MGCLYSMZILIUFA-IINYFYTJSA-N -1 3 351.369 2.887 20 30 FFEDHM COc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1F ZINC000743448185 735298187 /nfs/dbraw/zinc/29/81/87/735298187.db2.gz CNMBFZCCMHRXOU-UHFFFAOYSA-N -1 3 350.415 2.720 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@](C)(CC)C2)ccc1F ZINC000081321384 728397101 /nfs/dbraw/zinc/39/71/01/728397101.db2.gz LAVWZETZFHZKCS-GOSISDBHSA-N -1 3 368.474 2.942 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccnc1Br ZINC000121386767 728625810 /nfs/dbraw/zinc/62/58/10/728625810.db2.gz FMPDSFOKMWBUOZ-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(Br)n1 ZINC000135243297 728736711 /nfs/dbraw/zinc/73/67/11/728736711.db2.gz UWWCGRMTYKIKIK-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM CC(C)(C)OC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccccc1 ZINC000152159273 728748863 /nfs/dbraw/zinc/74/88/63/728748863.db2.gz DFFNVCAELAYMSI-OAHLLOKOSA-N -1 3 352.456 2.683 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC2(C)C)ccc1F ZINC000174945826 729083308 /nfs/dbraw/zinc/08/33/08/729083308.db2.gz QWKUIJWWOQWVGZ-OAHLLOKOSA-N -1 3 354.447 2.599 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000179092096 729177440 /nfs/dbraw/zinc/17/74/40/729177440.db2.gz JWMHHIZYRXFERC-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(CC)(CC)CC)ccc1F ZINC000303956947 729736200 /nfs/dbraw/zinc/73/62/00/729736200.db2.gz VFYPAJDQEONAGT-UHFFFAOYSA-N -1 3 356.463 2.989 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1C[C@]1(C)Br ZINC000861322988 730597444 /nfs/dbraw/zinc/59/74/44/730597444.db2.gz UTDAUEUENVECJN-ZBEGNZNMSA-N -1 3 367.243 2.925 20 30 FFEDHM C=CCCNC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868765209 731328614 /nfs/dbraw/zinc/32/86/14/731328614.db2.gz MNKGWQHOAOKSMT-GFCCVEGCSA-N -1 3 355.360 2.945 20 30 FFEDHM CC[C@H](C#N)OC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000781144983 738601584 /nfs/dbraw/zinc/60/15/84/738601584.db2.gz LPJSWDWPLZASJB-SECBINFHSA-N -1 3 365.238 2.507 20 30 FFEDHM O=C(Nc1ccc(C(F)(F)F)cc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000878690474 732577994 /nfs/dbraw/zinc/57/79/94/732577994.db2.gz PKZXZYAXCNKJFQ-JTQLQIEISA-N -1 3 351.712 2.861 20 30 FFEDHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000879261748 732674615 /nfs/dbraw/zinc/67/46/15/732674615.db2.gz POFPAXWKOPAZHU-MNOVXSKESA-N -1 3 365.739 2.623 20 30 FFEDHM Cc1nc(NC(=O)N[C@H]2CCCN([O-])C2=O)sc1Cc1ccccc1 ZINC000879472955 732707833 /nfs/dbraw/zinc/70/78/33/732707833.db2.gz PEYXZKVQYAKLKH-ZDUSSCGKSA-N -1 3 360.439 2.544 20 30 FFEDHM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2ccc(C3CC3)c(C#N)c2)CCOC1 ZINC000882791292 733295379 /nfs/dbraw/zinc/29/53/79/733295379.db2.gz YLMPIEZRSOZZLG-SFHVURJKSA-N -1 3 364.467 2.761 20 30 FFEDHM C=CC[C@H]1CCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000890561962 734315082 /nfs/dbraw/zinc/31/50/82/734315082.db2.gz NTKSCFVDZWKVPQ-ZDUSSCGKSA-N -1 3 354.447 2.693 20 30 FFEDHM Cn1cc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cn1 ZINC000727057978 734462194 /nfs/dbraw/zinc/46/21/94/734462194.db2.gz ARDNRSJZAUPYBN-UHFFFAOYSA-N -1 3 355.423 2.667 20 30 FFEDHM Clc1ccc(-n2cc(C=N[N-]c3[nH+]cnc4[n-]cnc43)nn2)cc1Cl ZINC000783832934 738840310 /nfs/dbraw/zinc/84/03/10/738840310.db2.gz MTGUOVFXAZDNMK-UHFFFAOYSA-N -1 3 374.195 2.686 20 30 FFEDHM CN(Cc1ncc(Br)cc1[O-])C[C@H](O)c1cccc(C#N)c1 ZINC000895142802 734968177 /nfs/dbraw/zinc/96/81/77/734968177.db2.gz UVOQKQJDQCSCFR-INIZCTEOSA-N -1 3 362.227 2.587 20 30 FFEDHM N#C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1Br ZINC000900698390 735681627 /nfs/dbraw/zinc/68/16/27/735681627.db2.gz GFZMVJOVFIQGOV-CYBMUJFWSA-N -1 3 373.210 2.817 20 30 FFEDHM CSCC[C@H](NC(=O)c1ccco1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376194 735771901 /nfs/dbraw/zinc/77/19/01/735771901.db2.gz QEGPYLKFHRLQNH-AWEZNQCLSA-N -1 3 366.414 2.688 20 30 FFEDHM CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(Br)cc1[O-] ZINC000753940668 736108714 /nfs/dbraw/zinc/10/87/14/736108714.db2.gz UXXLYMNUYLRXDR-CHWSQXEVSA-N -1 3 351.248 2.739 20 30 FFEDHM O=C(c1c(Br)nc2n1CCC2)N([O-])Cc1ccc(F)cc1 ZINC000904177353 736230650 /nfs/dbraw/zinc/23/06/50/736230650.db2.gz BQBWAAFFVQYFOP-UHFFFAOYSA-N -1 3 354.179 2.763 20 30 FFEDHM Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907287399 736606876 /nfs/dbraw/zinc/60/68/76/736606876.db2.gz ZJOBZPWKONGEKA-UHFFFAOYSA-N -1 3 372.475 2.862 20 30 FFEDHM CCOc1cc(C=NNS(=O)(=O)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000764720844 737043557 /nfs/dbraw/zinc/04/35/57/737043557.db2.gz IIHXSCNLSNWWAB-UHFFFAOYSA-N -1 3 372.805 2.896 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1sccc1Br ZINC000764904890 737061388 /nfs/dbraw/zinc/06/13/88/737061388.db2.gz OWGBBKBXUYPIRG-UHFFFAOYSA-N -1 3 359.270 2.964 20 30 FFEDHM CCC[C@H](CC)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766410032 737227868 /nfs/dbraw/zinc/22/78/68/737227868.db2.gz XHGOXZCSFUKSMI-OLZOCXBDSA-N -1 3 352.456 2.626 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2)ccc1F ZINC000914459546 737579615 /nfs/dbraw/zinc/57/96/15/737579615.db2.gz NQFAQQXOVLZWNT-UHFFFAOYSA-N -1 3 367.373 2.786 20 30 FFEDHM CCc1cccc(C)c1NC(=S)NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000915958464 737667367 /nfs/dbraw/zinc/66/73/67/737667367.db2.gz GCKFYKDDPHMZOS-UHFFFAOYSA-N -1 3 354.435 2.906 20 30 FFEDHM CCC1(c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)CCCC1 ZINC000771718646 737748855 /nfs/dbraw/zinc/74/88/55/737748855.db2.gz PHLVBTDCHKYAHY-UHFFFAOYSA-N -1 3 360.439 2.530 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2ccccc2C(F)(F)F)c1[O-] ZINC000920990732 737938281 /nfs/dbraw/zinc/93/82/81/737938281.db2.gz AUFJWCRGMNLNQD-GIXVCVOKSA-N -1 3 354.328 2.759 20 30 FFEDHM COC(=O)c1cc(N=Cc2c([O-])c(C)ncc2CO)cc(Cl)c1F ZINC000790099823 739418936 /nfs/dbraw/zinc/41/89/36/739418936.db2.gz PURQDJAXSOPGBR-UHFFFAOYSA-N -1 3 352.749 2.918 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccc(Cl)cc1F ZINC000796087234 740099283 /nfs/dbraw/zinc/09/92/83/740099283.db2.gz ZTIKQMKSFRPMPQ-ZDUSSCGKSA-N -1 3 371.773 2.512 20 30 FFEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cc2n(n1)CCO2 ZINC000810532885 741425406 /nfs/dbraw/zinc/42/54/06/741425406.db2.gz ILFDLJYGUJAVFF-NSHDSACASA-N -1 3 365.176 2.543 20 30 FFEDHM CCn1nncc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000815910465 741972279 /nfs/dbraw/zinc/97/22/79/741972279.db2.gz YHQXZMALUSGYCZ-LLVKDONJSA-N -1 3 352.181 2.566 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000816507478 742036390 /nfs/dbraw/zinc/03/63/90/742036390.db2.gz HXGDRPMYVQGVGL-LBPRGKRZSA-N -1 3 373.197 2.882 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000816695748 742053950 /nfs/dbraw/zinc/05/39/50/742053950.db2.gz KCQLGUGZAGWGHL-JTQLQIEISA-N -1 3 359.432 2.745 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819743278 742427810 /nfs/dbraw/zinc/42/78/10/742427810.db2.gz GHXVYNGGVQBLPA-UHFFFAOYSA-N -1 3 355.423 2.765 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819743278 742427814 /nfs/dbraw/zinc/42/78/14/742427814.db2.gz GHXVYNGGVQBLPA-UHFFFAOYSA-N -1 3 355.423 2.765 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000820150231 742468294 /nfs/dbraw/zinc/46/82/94/742468294.db2.gz WXTNRBGJONQLIG-SNVBAGLBSA-N -1 3 371.340 2.549 20 30 FFEDHM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820482518 742510809 /nfs/dbraw/zinc/51/08/09/742510809.db2.gz MCFDTKISUKSEGX-TZMCWYRMSA-N -1 3 358.360 2.771 20 30 FFEDHM Cc1nsc(NC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)c1C#N ZINC001053641661 744994652 /nfs/dbraw/zinc/99/46/52/744994652.db2.gz RSROSMCVJKSSKR-DGCLKSJQSA-N -1 3 356.451 2.849 20 30 FFEDHM N#Cc1c(Cl)nsc1N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001055284343 745066102 /nfs/dbraw/zinc/06/61/02/745066102.db2.gz WOUZJHNWAOBUKV-WQAKAFBOSA-N -1 3 374.853 2.913 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCC(C)C ZINC000839223042 746802948 /nfs/dbraw/zinc/80/29/48/746802948.db2.gz KWIXNUUOTQFQJS-HNNXBMFYSA-N -1 3 366.483 2.873 20 30 FFEDHM C[C@@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000845192950 748201923 /nfs/dbraw/zinc/20/19/23/748201923.db2.gz INNOOUWKPYDLDA-SNVBAGLBSA-N -1 3 365.817 2.516 20 30 FFEDHM Cc1cc(Br)c(C(=O)N[C@H]2CCCN([O-])C2=O)cc1Cl ZINC000848132742 748850380 /nfs/dbraw/zinc/85/03/80/748850380.db2.gz OYOVQXXXDQRCRH-NSHDSACASA-N -1 3 361.623 2.521 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000848136026 748850994 /nfs/dbraw/zinc/85/09/94/748850994.db2.gz RSTWRAFLRROAJR-JTQLQIEISA-N -1 3 367.377 2.858 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2cc(Br)ccc2c1 ZINC000848136543 748851430 /nfs/dbraw/zinc/85/14/30/748851430.db2.gz XWIYTUCSUDLLTQ-CQSZACIVSA-N -1 3 363.211 2.712 20 30 FFEDHM Cc1cc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c2ccccc2n1 ZINC000737265683 945025344 /nfs/dbraw/zinc/02/53/44/945025344.db2.gz YGRWIYJDNFEZKX-UHFFFAOYSA-N -1 3 374.433 2.865 20 30 FFEDHM Cc1cc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c2ccccc2n1 ZINC000737265683 945025358 /nfs/dbraw/zinc/02/53/58/945025358.db2.gz YGRWIYJDNFEZKX-UHFFFAOYSA-N -1 3 374.433 2.865 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573286650 946815306 /nfs/dbraw/zinc/81/53/06/946815306.db2.gz GYJXFAVUFWIZBU-ZDUSSCGKSA-N -1 3 364.361 2.603 20 30 FFEDHM C#CCO[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573286650 946815318 /nfs/dbraw/zinc/81/53/18/946815318.db2.gz GYJXFAVUFWIZBU-ZDUSSCGKSA-N -1 3 364.361 2.603 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573292926 946943010 /nfs/dbraw/zinc/94/30/10/946943010.db2.gz HFWUUOGGSYZEAU-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573292926 946943012 /nfs/dbraw/zinc/94/30/12/946943012.db2.gz HFWUUOGGSYZEAU-OLZOCXBDSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001573293750 946968620 /nfs/dbraw/zinc/96/86/20/946968620.db2.gz ILUFLYRCDLGGSZ-HZPDHXFCSA-N -1 3 362.441 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H]2CCC[C@H]21 ZINC001573293750 946968626 /nfs/dbraw/zinc/96/86/26/946968626.db2.gz ILUFLYRCDLGGSZ-HZPDHXFCSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573300416 947110433 /nfs/dbraw/zinc/11/04/33/947110433.db2.gz JTLCRYXYHCWVCJ-KBPBESRZSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573300416 947110442 /nfs/dbraw/zinc/11/04/42/947110442.db2.gz JTLCRYXYHCWVCJ-KBPBESRZSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](CC)C1 ZINC001573300951 947126017 /nfs/dbraw/zinc/12/60/17/947126017.db2.gz WTFPAPXJNMWDMZ-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](CC)C1 ZINC001573300951 947126025 /nfs/dbraw/zinc/12/60/25/947126025.db2.gz WTFPAPXJNMWDMZ-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573327719 947395337 /nfs/dbraw/zinc/39/53/37/947395337.db2.gz JYZRVADHVJSIOP-GDBMZVCRSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573327719 947395349 /nfs/dbraw/zinc/39/53/49/947395349.db2.gz JYZRVADHVJSIOP-GDBMZVCRSA-N -1 3 369.473 2.623 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1OC ZINC000826179921 947555147 /nfs/dbraw/zinc/55/51/47/947555147.db2.gz KWICASBCAALXAG-FPLPWBNLSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1OC ZINC000826179921 947555156 /nfs/dbraw/zinc/55/51/56/947555156.db2.gz KWICASBCAALXAG-FPLPWBNLSA-N -1 3 354.341 2.919 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001573349161 947592586 /nfs/dbraw/zinc/59/25/86/947592586.db2.gz ZLQSFAXGTFCWOZ-OKILXGFUSA-N -1 3 364.457 2.794 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001573349161 947592599 /nfs/dbraw/zinc/59/25/99/947592599.db2.gz ZLQSFAXGTFCWOZ-OKILXGFUSA-N -1 3 364.457 2.794 20 30 FFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401031 948218952 /nfs/dbraw/zinc/21/89/52/948218952.db2.gz NMSKCSADNCRDMQ-FNORWQNLSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401031 948218958 /nfs/dbraw/zinc/21/89/58/948218958.db2.gz NMSKCSADNCRDMQ-FNORWQNLSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000127014982 971472232 /nfs/dbraw/zinc/47/22/32/971472232.db2.gz CVLSDVPCWDHELL-HNNXBMFYSA-N -1 3 353.334 2.873 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826476030 948377627 /nfs/dbraw/zinc/37/76/27/948377627.db2.gz ZFVSYNIWHBLCHB-XVNBXDOJSA-N -1 3 373.325 2.634 20 30 FFEDHM C[C@H](NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001575249449 949097946 /nfs/dbraw/zinc/09/79/46/949097946.db2.gz BXIMOBYJQRZUAS-NSHDSACASA-N -1 3 368.347 2.708 20 30 FFEDHM C[C@H](NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001575249449 949097929 /nfs/dbraw/zinc/09/79/29/949097929.db2.gz BXIMOBYJQRZUAS-NSHDSACASA-N -1 3 368.347 2.708 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC(C)C)c2)c1 ZINC000759832814 971780046 /nfs/dbraw/zinc/78/00/46/971780046.db2.gz ILHPGBDWMRBXIU-INIZCTEOSA-N -1 3 353.378 2.839 20 30 FFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1nnc2ccccc2c1[O-] ZINC000175715338 958993896 /nfs/dbraw/zinc/99/38/96/958993896.db2.gz PLFCMEMEJMDDHD-UHFFFAOYSA-N -1 3 371.318 2.723 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000891339785 963295914 /nfs/dbraw/zinc/29/59/14/963295914.db2.gz OHIGQGKKXUKBML-IAGOWNOFSA-N -1 3 371.481 2.874 20 30 FFEDHM C#CC1(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])CCCC1 ZINC001175864042 1013581694 /nfs/dbraw/zinc/58/16/94/1013581694.db2.gz VYMUUXMEEHVGMA-UHFFFAOYSA-N -1 3 353.378 2.617 20 30 FFEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1ccccc1OC(F)(F)F ZINC000255421313 965604178 /nfs/dbraw/zinc/60/41/78/965604178.db2.gz FJOVMMLVLVXKOI-ZHRWSRJISA-N -1 3 363.295 2.924 20 30 FFEDHM COC(=O)[C@H](CC(C)(C)C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000782668207 969306707 /nfs/dbraw/zinc/30/67/07/969306707.db2.gz MJNVCWSNEHGYFY-HNNXBMFYSA-N -1 3 362.426 2.729 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H](N3CCC(CCC(=O)[O-])CC3)C2=O)cc1 ZINC001605611375 973918946 /nfs/dbraw/zinc/91/89/46/973918946.db2.gz VFHCNEDBIWNEDS-SFHVURJKSA-N -1 3 355.438 2.630 20 30 FFEDHM CC(C)N(C)CC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001142582881 976556458 /nfs/dbraw/zinc/55/64/58/976556458.db2.gz KXLMZMCFUGWHBH-GIJQJNRQSA-N -1 3 359.455 2.500 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000728990258 978142860 /nfs/dbraw/zinc/14/28/60/978142860.db2.gz HPEFTOITLQCJOE-UHFFFAOYSA-N -1 3 373.340 2.999 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN2C(=O)c2cc(C(C)(C)C)ccc2[O-])C1=O ZINC001271964535 979369217 /nfs/dbraw/zinc/36/92/17/979369217.db2.gz UTZQVELUZVGWBG-NRFANRHFSA-N -1 3 354.450 2.530 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c(C#N)c1 ZINC001211939209 981226130 /nfs/dbraw/zinc/22/61/30/981226130.db2.gz AHWRDRJMGSUWCG-NSHDSACASA-N -1 3 361.370 2.905 20 30 FFEDHM COC(=O)C[C@@](C)([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccccn1 ZINC000907509093 981259131 /nfs/dbraw/zinc/25/91/31/981259131.db2.gz BZWFMKOHLDHNGO-GOSISDBHSA-N -1 3 373.359 2.640 20 30 FFEDHM O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@H]1CCCN([O-])C1=O ZINC000877893005 1014756674 /nfs/dbraw/zinc/75/66/74/1014756674.db2.gz ILBWYWBYTUAJLK-KRWDZBQOSA-N -1 3 355.394 2.767 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(-c2ccccc2)n1 ZINC000129993482 985436822 /nfs/dbraw/zinc/43/68/22/985436822.db2.gz WFZAOMPYODRHEZ-HNNXBMFYSA-N -1 3 360.373 2.842 20 30 FFEDHM O=C(Nc1ccc(COCc2ccccc2)cc1)N[C@H]1CCCN([O-])C1=O ZINC000878797321 1015225532 /nfs/dbraw/zinc/22/55/32/1015225532.db2.gz XOPATYFVLGXIMH-SFHVURJKSA-N -1 3 369.421 2.905 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)nc21 ZINC001127420356 990000478 /nfs/dbraw/zinc/00/04/78/990000478.db2.gz XNRDSRLHKXZLSQ-LSDHHAIUSA-N -1 3 360.373 2.963 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nc1C ZINC000916896939 990014066 /nfs/dbraw/zinc/01/40/66/990014066.db2.gz QXBBFARKFXOFPN-INIZCTEOSA-N -1 3 365.389 2.836 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)cc1OC ZINC000916933350 990036384 /nfs/dbraw/zinc/03/63/84/990036384.db2.gz BEHFCDJBHZTYIP-CQSZACIVSA-N -1 3 370.409 2.616 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1cccc(C)c1 ZINC000917508064 990234368 /nfs/dbraw/zinc/23/43/68/990234368.db2.gz JDFLRBQBERWFOO-INIZCTEOSA-N -1 3 359.389 2.845 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920110589 990795575 /nfs/dbraw/zinc/79/55/75/990795575.db2.gz SHIILXINRYSIPH-GFCCVEGCSA-N -1 3 365.345 2.893 20 30 FFEDHM COC(=O)/C=C\c1ccc(OCCOC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811185067 995051133 /nfs/dbraw/zinc/05/11/33/995051133.db2.gz HDMOBPJGJQAQOD-DAXSKMNVSA-N -1 3 367.357 2.686 20 30 FFEDHM COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188001 995052321 /nfs/dbraw/zinc/05/23/21/995052321.db2.gz SIRGKIFIVWDPJL-ZDUSSCGKSA-N -1 3 368.389 2.649 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCCN(c3cccc(F)c3)C2=O)c1 ZINC000811187463 995053784 /nfs/dbraw/zinc/05/37/84/995053784.db2.gz RQVBRXCGCSHSRJ-QGZVFWFLSA-N -1 3 354.337 2.755 20 30 FFEDHM Cc1cccc2nc(COC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cn21 ZINC000730040164 996791067 /nfs/dbraw/zinc/79/10/67/996791067.db2.gz UCJCZZYFSQEBRO-UHFFFAOYSA-N -1 3 364.405 2.908 20 30 FFEDHM Cc1noc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2)n1 ZINC000041506616 998074553 /nfs/dbraw/zinc/07/45/53/998074553.db2.gz JARYSBHETSROOF-HNNXBMFYSA-N -1 3 362.393 2.853 20 30 FFEDHM CCc1cc2c(CN3CCN([C@@H](C#N)C(C)C)CC3)cc(=O)oc2cc1[O-] ZINC000731846760 998272275 /nfs/dbraw/zinc/27/22/75/998272275.db2.gz NTVLMFSAJLJNRU-SFHVURJKSA-N -1 3 369.465 2.727 20 30 FFEDHM COC(=O)c1cccc([C@@H](NCc2ccc(C#N)c(Cl)c2)C(=O)[O-])c1 ZINC001598997163 998790820 /nfs/dbraw/zinc/79/08/20/998790820.db2.gz YEQQBGBADCVJHE-MRXNPFEDSA-N -1 3 358.781 2.914 20 30 FFEDHM COC(=O)Cc1ccccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000740693791 999681002 /nfs/dbraw/zinc/68/10/02/999681002.db2.gz WBAOVAIDGJDHGC-UHFFFAOYSA-N -1 3 368.389 2.529 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CCc2ccn(-c3ccc(F)cc3)n2)c1[O-] ZINC000743042711 999797251 /nfs/dbraw/zinc/79/72/51/999797251.db2.gz OYXSVSLLXRBZNA-NHDPSOOVSA-N -1 3 354.385 2.574 20 30 FFEDHM Cc1ccc2c(C=N[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c[nH]c2c1 ZINC000746492388 1000145378 /nfs/dbraw/zinc/14/53/78/1000145378.db2.gz RQLXGZIMKLICOR-UHFFFAOYSA-N -1 3 372.406 2.838 20 30 FFEDHM COc1ccc(NN=Cc2cc(OC)c([O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000767803369 1000146910 /nfs/dbraw/zinc/14/69/10/1000146910.db2.gz NBFNPKHUYPZRFP-UHFFFAOYSA-N -1 3 362.298 2.672 20 30 FFEDHM C#C[C@H](C)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000769658654 1000571036 /nfs/dbraw/zinc/57/10/36/1000571036.db2.gz ORTPYUZOPGJJNU-KXBFYZLASA-N -1 3 350.418 2.734 20 30 FFEDHM CCc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1[O-] ZINC000769956637 1000634571 /nfs/dbraw/zinc/63/45/71/1000634571.db2.gz CDONGXHUXOKFCJ-AWEZNQCLSA-N -1 3 359.426 2.540 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc2nc(C(F)(F)F)cn2c1 ZINC000770841198 1000936100 /nfs/dbraw/zinc/93/61/00/1000936100.db2.gz KUYMVQNEYXWOTK-LLVKDONJSA-N -1 3 373.294 2.709 20 30 FFEDHM N#Cc1cccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787842854 1001723301 /nfs/dbraw/zinc/72/33/01/1001723301.db2.gz DFIFMNWTQJJFIU-UHFFFAOYSA-N -1 3 356.353 2.908 20 30 FFEDHM C=CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc(OC)c1OC ZINC000747020992 1002733691 /nfs/dbraw/zinc/73/36/91/1002733691.db2.gz MOFRTDLCYCRBBF-OAHLLOKOSA-N -1 3 365.389 2.788 20 30 FFEDHM C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001092492370 1003069390 /nfs/dbraw/zinc/06/93/90/1003069390.db2.gz RTFPFDXCBGALPH-GDBMZVCRSA-N -1 3 350.422 2.551 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](O)C2CCCCC2)c(C)c1[O-] ZINC001187000957 1003527404 /nfs/dbraw/zinc/52/74/04/1003527404.db2.gz NUPQZVPQGADKKI-QGZVFWFLSA-N -1 3 360.410 2.629 20 30 FFEDHM CC1(C)CC(=O)C=C([N-]S(=O)(=O)c2c(Cl)nc3sccn32)C1 ZINC001187160883 1003573824 /nfs/dbraw/zinc/57/38/24/1003573824.db2.gz YNKAMIRGIFTMOT-UHFFFAOYSA-N -1 3 359.860 2.601 20 30 FFEDHM COC(=O)c1onc(C)c1[N-]C(=O)c1ccc(C#N)cc1C(F)(F)F ZINC001192077247 1004040655 /nfs/dbraw/zinc/04/06/55/1004040655.db2.gz JFPYIECTJCZVEL-UHFFFAOYSA-N -1 3 353.256 2.912 20 30 FFEDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)c1 ZINC001197110532 1004088863 /nfs/dbraw/zinc/08/88/63/1004088863.db2.gz UQOSEJLQIDRQMH-SOFGYWHQSA-N -1 3 360.366 2.684 20 30 FFEDHM CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cn1 ZINC001197414523 1004214477 /nfs/dbraw/zinc/21/44/77/1004214477.db2.gz SYAIKGWRKZDCQW-UHFFFAOYSA-N -1 3 368.393 2.936 20 30 FFEDHM COc1ccnc(C(=O)N2CCC(Cc3ccc(C#N)cc3)CC2)c1[O-] ZINC001193528074 1004511830 /nfs/dbraw/zinc/51/18/30/1004511830.db2.gz JIKVVHHSHHUDTK-UHFFFAOYSA-N -1 3 351.406 2.762 20 30 FFEDHM C=CCCC[C@@H]([N-]S(=O)(=O)CCc1ccccc1Cl)C(=O)OC ZINC001194897658 1004839070 /nfs/dbraw/zinc/83/90/70/1004839070.db2.gz ZBYUNKYGOVXIHN-OAHLLOKOSA-N -1 3 359.875 2.700 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3ccnc3)cc2)cc1C#N ZINC001201315758 1005198715 /nfs/dbraw/zinc/19/87/15/1005198715.db2.gz KHEFGNBKRGIZIK-UHFFFAOYSA-N -1 3 352.419 2.912 20 30 FFEDHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201316996 1005198737 /nfs/dbraw/zinc/19/87/37/1005198737.db2.gz KZKFPMCGVYSRBU-UHFFFAOYSA-N -1 3 362.382 2.983 20 30 FFEDHM C=CCn1c(C)cc(C(=O)CO[N-]C(=O)CCOc2ccccc2)c1C ZINC000109744508 1005859945 /nfs/dbraw/zinc/85/99/45/1005859945.db2.gz CDNUTZWMBLRZLN-UHFFFAOYSA-N -1 3 356.422 2.991 20 30 FFEDHM C[C@@H]1CCN(CCCOc2ccc(C#N)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757489 1006171064 /nfs/dbraw/zinc/17/10/64/1006171064.db2.gz DSBVXIMHEFFBMW-CJNGLKHVSA-N -1 3 369.387 2.716 20 30 FFEDHM C#Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]CC=C)c2)cc1 ZINC001134900849 1006543655 /nfs/dbraw/zinc/54/36/55/1006543655.db2.gz LRBMDHNUHFZDER-UHFFFAOYSA-N -1 3 358.394 2.524 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3ccncc3[nH]2)c(C)c1[O-] ZINC001152581319 1032195656 /nfs/dbraw/zinc/19/56/56/1032195656.db2.gz FJCLLMBWOLLIDP-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000816692553 1007169177 /nfs/dbraw/zinc/16/91/77/1007169177.db2.gz QKYHAOLZJBQFTD-QGZVFWFLSA-N -1 3 365.364 2.761 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000820184559 1008301722 /nfs/dbraw/zinc/30/17/22/1008301722.db2.gz BDEHBYUECZEAFK-KRWDZBQOSA-N -1 3 366.373 2.732 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](C)c2cccnc2)c(C)c1[O-] ZINC001177791619 1008750583 /nfs/dbraw/zinc/75/05/83/1008750583.db2.gz MVDIEFKWBSFKSW-LLVKDONJSA-N -1 3 353.378 2.886 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN2C(=O)c2ccc([O-])cc2C(F)(F)F)C1=O ZINC001274204514 1009597641 /nfs/dbraw/zinc/59/76/41/1009597641.db2.gz ZUZOMUXTNWDUMP-KRWDZBQOSA-N -1 3 368.355 2.804 20 30 FFEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)c(OC)cc1[O-] ZINC000794940552 1011022564 /nfs/dbraw/zinc/02/25/64/1011022564.db2.gz ABKFPRXXTVUJMJ-HWKANZROSA-N -1 3 355.346 2.636 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn2c(n1)C[C@H](C)CC2 ZINC000870139718 1012187865 /nfs/dbraw/zinc/18/78/65/1012187865.db2.gz CIYGNSFQJUNRQL-KGLIPLIRSA-N -1 3 366.421 2.825 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CC3CC3)c2)cc1Cl ZINC000870142236 1012193141 /nfs/dbraw/zinc/19/31/41/1012193141.db2.gz HLHPDEBMSQUPDS-AWEZNQCLSA-N -1 3 372.812 2.916 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1C[C@H](OCC(F)(F)F)C1 ZINC000870817328 1012578587 /nfs/dbraw/zinc/57/85/87/1012578587.db2.gz FGWUIYWJYONWDF-HAQNSBGRSA-N -1 3 372.343 2.861 20 30 FFEDHM N#Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)c1 ZINC001095188492 1012672532 /nfs/dbraw/zinc/67/25/32/1012672532.db2.gz ITXOAQPCNGLJKR-MNEFBYGVSA-N -1 3 365.408 2.938 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(NC(=O)C(F)(F)F)cc2)c1[O-] ZINC000748584792 1017398706 /nfs/dbraw/zinc/39/87/06/1017398706.db2.gz UAYKRSLIXSLPJB-WNFQYIGGSA-N -1 3 367.327 2.708 20 30 FFEDHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1nc(C)ccc1C#N ZINC001048526976 1020280026 /nfs/dbraw/zinc/28/00/26/1020280026.db2.gz QPBKRGRZQBGWIS-DLBZAZTESA-N -1 3 350.422 2.755 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnc2ccccc2n1 ZINC000726344389 1020456727 /nfs/dbraw/zinc/45/67/27/1020456727.db2.gz HRZSFJVFYAHBCB-UHFFFAOYSA-N -1 3 362.389 2.895 20 30 FFEDHM CCOC(Cc1c(NC(=O)Nc2cccc(C#N)c2)nc[n-]c1=O)OCC ZINC001202779787 1022142091 /nfs/dbraw/zinc/14/20/91/1022142091.db2.gz MYDSTEIGLIWAQY-UHFFFAOYSA-N -1 3 371.397 2.639 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)c1 ZINC000754814686 1023522411 /nfs/dbraw/zinc/52/24/11/1023522411.db2.gz AMUXDMVRQGXZRO-HNNXBMFYSA-N -1 3 353.378 2.839 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)OC)n2C[C@@H]2CCOC2)c1[O-] ZINC001123051372 1023612147 /nfs/dbraw/zinc/61/21/47/1023612147.db2.gz SPIFUYXOVUHGPR-AWEZNQCLSA-N -1 3 358.442 2.803 20 30 FFEDHM C#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000191104945 1023759255 /nfs/dbraw/zinc/75/92/55/1023759255.db2.gz BEDKJCLFVTVOHR-UHFFFAOYSA-N -1 3 372.446 2.510 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@@H](CO)[C@H]3C)n2C)c1[O-] ZINC001121535695 1023833807 /nfs/dbraw/zinc/83/38/07/1023833807.db2.gz WDPKZKBVUUQZME-ZBFHGGJFSA-N -1 3 356.470 2.904 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccc(C)s1 ZINC001121708895 1023938774 /nfs/dbraw/zinc/93/87/74/1023938774.db2.gz OOSRKEDDXWSZQS-UHFFFAOYSA-N -1 3 356.455 2.941 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1ccc(-c2ccc(Cl)nn2)cc1 ZINC001160176075 1027624459 /nfs/dbraw/zinc/62/44/59/1027624459.db2.gz DWNUJRWSXDWPHY-XPTSAGLGSA-N -1 3 368.771 2.672 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c[nH]c3cccnc32)c(C)c1[O-] ZINC001153245049 1027810309 /nfs/dbraw/zinc/81/03/09/1027810309.db2.gz LEFPOSPZFSSCFT-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3cccc(C(F)(F)F)n3)cc(=O)c2c1 ZINC001154559843 1028353365 /nfs/dbraw/zinc/35/33/65/1028353365.db2.gz CBDOQFNVDHBCQS-UHFFFAOYSA-N -1 3 372.306 2.744 20 30 FFEDHM C#CCCCNc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cn1 ZINC001155018131 1028547272 /nfs/dbraw/zinc/54/72/72/1028547272.db2.gz QTTUTJIVIFMGHV-UHFFFAOYSA-N -1 3 351.378 2.986 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC(n3cccn3)CC2)n1 ZINC001155035332 1028553603 /nfs/dbraw/zinc/55/36/03/1028553603.db2.gz HVPQNKMJZMGJJY-RQZCQDPDSA-N -1 3 352.851 2.698 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(C(=O)OC)c2cccnc12 ZINC001165842288 1030142712 /nfs/dbraw/zinc/14/27/12/1030142712.db2.gz URTWYZGHZCRYBE-UHFFFAOYSA-N -1 3 356.407 2.797 20 30 FFEDHM C#CCNC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC001205644425 1031900003 /nfs/dbraw/zinc/90/00/03/1031900003.db2.gz QMYCQKNJRLHZCN-UHFFFAOYSA-N -1 3 373.434 2.559 20 30 FFEDHM CS(=O)(=O)C[C@H](O/C(=N\[O-])c1ccccn1)c1ccccc1Cl ZINC001223976612 1033664991 /nfs/dbraw/zinc/66/49/91/1033664991.db2.gz VZLJTXPAZZCWQK-JZYMCLRRSA-N -1 3 354.815 2.673 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2COCc3cc(Br)cnc32)[n-]1 ZINC001225469099 1034265307 /nfs/dbraw/zinc/26/53/07/1034265307.db2.gz GSRXSXHTIINTBT-ZDUSSCGKSA-N -1 3 362.183 2.775 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)[n-]1 ZINC001225468486 1034265924 /nfs/dbraw/zinc/26/59/24/1034265924.db2.gz ACLPHYKYHDMYBZ-NSHDSACASA-N -1 3 369.368 2.991 20 30 FFEDHM COc1c([O-])ccc(CN=Nc2oc(C(C)(C)C)nc2C#N)c1[N+](=O)[O-] ZINC000834949091 1035480325 /nfs/dbraw/zinc/48/03/25/1035480325.db2.gz GXVAFMHBBQABJH-UHFFFAOYSA-N -1 3 359.342 2.912 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc3c(cc2[O-])CCC3=O)C[C@H]1C#N ZINC001228854320 1036360521 /nfs/dbraw/zinc/36/05/21/1036360521.db2.gz RBIBGOOWYIWPDS-QWHCGFSZSA-N -1 3 358.394 2.801 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Oc1cc([O-])cc(C#N)c1)CCO2 ZINC001234141417 1036937267 /nfs/dbraw/zinc/93/72/67/1036937267.db2.gz OQSBMLOTARYSTR-HNNXBMFYSA-N -1 3 360.410 2.811 20 30 FFEDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cn1 ZINC001208317751 1038207116 /nfs/dbraw/zinc/20/71/16/1038207116.db2.gz USRAYEBNKWZWLB-UHFFFAOYSA-N -1 3 372.475 2.712 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1C ZINC001208511665 1038373386 /nfs/dbraw/zinc/37/33/86/1038373386.db2.gz DWBDXHRLQKXDHB-AUJRIZCKSA-N -1 3 358.486 2.598 20 30 FFEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1N1CCCC1 ZINC001259850214 1040242513 /nfs/dbraw/zinc/24/25/13/1040242513.db2.gz SLOFXLCQWCERTM-UHFFFAOYSA-N -1 3 371.418 2.688 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1)c1ccc(F)cc1 ZINC001309523583 1043420750 /nfs/dbraw/zinc/42/07/50/1043420750.db2.gz JHHUDWKVQKMGNN-GFCCVEGCSA-N -1 3 371.773 2.512 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CCCCC1 ZINC001309891881 1043576630 /nfs/dbraw/zinc/57/66/30/1043576630.db2.gz RHNKMXNUAQDDPZ-UHFFFAOYSA-N -1 3 371.480 2.548 20 30 FFEDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)ccc1C ZINC001318649712 1044789357 /nfs/dbraw/zinc/78/93/57/1044789357.db2.gz PDRZPYRZYWHAKV-UHFFFAOYSA-N -1 3 359.407 2.657 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001321019130 1045513728 /nfs/dbraw/zinc/51/37/28/1045513728.db2.gz JRTOXYHDTUDTQF-LBPRGKRZSA-N -1 3 363.252 2.946 20 30 FFEDHM CC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(OC)c(OC)c1 ZINC001322504831 1046110144 /nfs/dbraw/zinc/11/01/44/1046110144.db2.gz QIFNWCTWVVWLCL-CQSZACIVSA-N -1 3 360.435 2.894 20 30 FFEDHM CCOC(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC001292095983 1049115845 /nfs/dbraw/zinc/11/58/45/1049115845.db2.gz CPSRKMFIOVJNRA-KRWDZBQOSA-N -1 3 372.371 2.941 20 30 FFEDHM C=CCN(C)c1nnc(CCc2cccc(Cl)c2[O-])n1CCOC ZINC001341669228 1050292596 /nfs/dbraw/zinc/29/25/96/1050292596.db2.gz NABUYGFXPLZMAR-UHFFFAOYSA-N -1 3 350.850 2.691 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCOC(C2CC2)(C2CC2)C1 ZINC001342086816 1050683351 /nfs/dbraw/zinc/68/33/51/1050683351.db2.gz LYGOVBOJQYBNJW-UHFFFAOYSA-N -1 3 371.441 2.610 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](N(C)c2ccccc2)C1 ZINC001340379450 1050772781 /nfs/dbraw/zinc/77/27/81/1050772781.db2.gz BNNACJGJHXFBPL-HNNXBMFYSA-N -1 3 366.425 2.540 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC[C@@H](SC)C1 ZINC001340594589 1050979760 /nfs/dbraw/zinc/97/97/60/1050979760.db2.gz QRPQCAFRCCMABC-SNVBAGLBSA-N -1 3 353.883 2.625 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC[C@@H](SC)C1 ZINC001340594589 1050979769 /nfs/dbraw/zinc/97/97/69/1050979769.db2.gz QRPQCAFRCCMABC-SNVBAGLBSA-N -1 3 353.883 2.625 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)CCc1cccs1 ZINC001342386222 1050980421 /nfs/dbraw/zinc/98/04/21/1050980421.db2.gz TVSSMZOOJKURBA-UHFFFAOYSA-N -1 3 356.455 2.676 20 30 FFEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccc(F)cc1 ZINC001342604307 1051210928 /nfs/dbraw/zinc/21/09/28/1051210928.db2.gz FVLGKFNUUKXGNL-MRXNPFEDSA-N -1 3 363.352 2.676 20 30 FFEDHM O=C(CCc1cccs1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892782 1052213733 /nfs/dbraw/zinc/21/37/33/1052213733.db2.gz MKEARAANNJSADK-UHFFFAOYSA-N -1 3 358.419 2.585 20 30 FFEDHM C=CCN1CCC([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CC1 ZINC001309161047 1052564738 /nfs/dbraw/zinc/56/47/38/1052564738.db2.gz VTTCRRVLZCFIHF-UHFFFAOYSA-N -1 3 371.915 2.878 20 30 FFEDHM C#C[C@@H]1CCCCN1c1nnc(-c2nnc(Cl)[n-]2)n1Cc1cccs1 ZINC001345960254 1052685636 /nfs/dbraw/zinc/68/56/36/1052685636.db2.gz NZMDYOYZVACHIB-LLVKDONJSA-N -1 3 373.873 2.819 20 30 FFEDHM C#C[C@@H]1CCCCN1c1nnc(-c2n[n-]c(Cl)n2)n1Cc1cccs1 ZINC001345960254 1052685639 /nfs/dbraw/zinc/68/56/39/1052685639.db2.gz NZMDYOYZVACHIB-LLVKDONJSA-N -1 3 373.873 2.819 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cncnc1C ZINC001344539321 1052824505 /nfs/dbraw/zinc/82/45/05/1052824505.db2.gz DLCLIOXOUXBYHQ-NSHDSACASA-N -1 3 358.785 2.717 20 30 FFEDHM N#Cc1c(F)cc(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)cc1F ZINC001475445421 1053121780 /nfs/dbraw/zinc/12/17/80/1053121780.db2.gz UQODSTMFOVBHRN-UHFFFAOYSA-N -1 3 361.732 2.502 20 30 FFEDHM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3cccc(F)n3)c2)o1 ZINC001347137720 1053656870 /nfs/dbraw/zinc/65/68/70/1053656870.db2.gz PCKZJGYMQHDROD-ZDUSSCGKSA-N -1 3 352.325 2.907 20 30 FFEDHM N#Cc1ccc(NCc2nc3c(c(=O)[n-]2)COCC3)cc1Br ZINC001336693675 1054144140 /nfs/dbraw/zinc/14/41/40/1054144140.db2.gz WFBWFIZGTXCHRQ-UHFFFAOYSA-N -1 3 361.199 2.501 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)C1 ZINC001337333675 1054664543 /nfs/dbraw/zinc/66/45/43/1054664543.db2.gz IKLBOOVCIFJLNO-GFCCVEGCSA-N -1 3 354.859 2.587 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c(C)c1F ZINC001337591772 1054872874 /nfs/dbraw/zinc/87/28/74/1054872874.db2.gz RVRUUEJGOOCAHH-UHFFFAOYSA-N -1 3 350.371 2.846 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001352061711 1055163537 /nfs/dbraw/zinc/16/35/37/1055163537.db2.gz AMEREXRFSUQYBG-CYBMUJFWSA-N -1 3 352.398 2.522 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCOC2(CCC2)C1 ZINC001543854665 1071557965 /nfs/dbraw/zinc/55/79/65/1071557965.db2.gz OKRHFNZEXYOGHP-HNNXBMFYSA-N -1 3 357.454 2.674 20 30 FFEDHM Cc1nnc(CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(C)(C)C)o1 ZINC001544183523 1071608324 /nfs/dbraw/zinc/60/83/24/1071608324.db2.gz VQRPHWNAJSEONG-UHFFFAOYSA-N -1 3 371.441 2.727 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](CC(F)(F)F)C1 ZINC001339655749 1056682081 /nfs/dbraw/zinc/68/20/81/1056682081.db2.gz BGHHGVQYZFRHAV-SNVBAGLBSA-N -1 3 357.336 2.994 20 30 FFEDHM COC(=O)c1ccc2c(c1)[C@@H](C/N=C\c1c([O-])c(C)ncc1CO)CCC2 ZINC000849170166 1056789204 /nfs/dbraw/zinc/78/92/04/1056789204.db2.gz LSNKSEUSOOAPOW-OLIBUNOHSA-N -1 3 368.433 2.914 20 30 FFEDHM N#Cc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c(F)c1 ZINC001443565579 1058217127 /nfs/dbraw/zinc/21/71/27/1058217127.db2.gz XSLVMTUNUVCTGB-UHFFFAOYSA-N -1 3 357.291 2.747 20 30 FFEDHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135016 1059104976 /nfs/dbraw/zinc/10/49/76/1059104976.db2.gz IMQJXOFUJADCKA-CQSZACIVSA-N -1 3 373.478 2.887 20 30 FFEDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC(CC#N)CC1 ZINC001520149045 1059427818 /nfs/dbraw/zinc/42/78/18/1059427818.db2.gz HVMWGLQKZWOPFZ-UHFFFAOYSA-N -1 3 354.439 2.927 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H](OCCC)CC1 ZINC001520596288 1059853010 /nfs/dbraw/zinc/85/30/10/1059853010.db2.gz LBYJSFRPOCJKML-LBPRGKRZSA-N -1 3 365.869 2.688 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H](OCCC)CC1 ZINC001520596288 1059853034 /nfs/dbraw/zinc/85/30/34/1059853034.db2.gz LBYJSFRPOCJKML-LBPRGKRZSA-N -1 3 365.869 2.688 20 30 FFEDHM O=C(Cn1c(=O)cnc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001457991175 1060485607 /nfs/dbraw/zinc/48/56/07/1060485607.db2.gz AYWBZZWERNFFQA-UHFFFAOYSA-N -1 3 351.406 2.637 20 30 FFEDHM O=C(c1cc2ccccc2o1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001457999023 1060487840 /nfs/dbraw/zinc/48/78/40/1060487840.db2.gz FXKHNDQCFGYZDR-UHFFFAOYSA-N -1 3 364.357 2.951 20 30 FFEDHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001458987374 1060691059 /nfs/dbraw/zinc/69/10/59/1060691059.db2.gz LFSGARHUBXHSSS-UHFFFAOYSA-N -1 3 359.292 2.894 20 30 FFEDHM CN1CCC(OCC(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)CC1 ZINC001526033026 1060976808 /nfs/dbraw/zinc/97/68/08/1060976808.db2.gz ZKGFQNMTXXREDR-HNNXBMFYSA-N -1 3 360.479 2.629 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001523776625 1062617266 /nfs/dbraw/zinc/61/72/66/1062617266.db2.gz CUMKLKAXSKILII-RYUDHWBXSA-N -1 3 360.487 2.655 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCc2cccc(OC)c2C1 ZINC001524190716 1062751520 /nfs/dbraw/zinc/75/15/20/1062751520.db2.gz YWEHQKISKFHSIC-UHFFFAOYSA-N -1 3 367.409 2.786 20 30 FFEDHM N#CCOc1cccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001465084438 1062971355 /nfs/dbraw/zinc/97/13/55/1062971355.db2.gz IYANWCRRCUEWAC-UHFFFAOYSA-N -1 3 369.327 2.639 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(F)c(F)c(F)c1F ZINC001467163160 1063657304 /nfs/dbraw/zinc/65/73/04/1063657304.db2.gz APQZLNLIMWPKLM-UHFFFAOYSA-N -1 3 357.189 2.702 20 30 FFEDHM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1 ZINC001469326926 1064128674 /nfs/dbraw/zinc/12/86/74/1064128674.db2.gz OABMWWAKCFZTJN-UHFFFAOYSA-N -1 3 355.398 2.555 20 30 FFEDHM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1 ZINC001469326926 1064128679 /nfs/dbraw/zinc/12/86/79/1064128679.db2.gz OABMWWAKCFZTJN-UHFFFAOYSA-N -1 3 355.398 2.555 20 30 FFEDHM CC(C)OC(=O)c1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[n-]n1 ZINC001472090462 1064928509 /nfs/dbraw/zinc/92/85/09/1064928509.db2.gz CRSNBQYLYNWXJU-UHFFFAOYSA-N -1 3 358.373 2.902 20 30 FFEDHM CC(C)OC(=O)c1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n[n-]1 ZINC001472090462 1064928522 /nfs/dbraw/zinc/92/85/22/1064928522.db2.gz CRSNBQYLYNWXJU-UHFFFAOYSA-N -1 3 358.373 2.902 20 30 FFEDHM O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N([O-])Cc1ccc(F)cc1 ZINC001472623291 1065113906 /nfs/dbraw/zinc/11/39/06/1065113906.db2.gz ZJYIHCYVLIZFIN-GFCCVEGCSA-N -1 3 364.323 2.875 20 30 FFEDHM CCCCCCN([O-])C(=O)CC1(CC(=O)N2CCOCC2)CCCC1 ZINC001472621430 1065114629 /nfs/dbraw/zinc/11/46/29/1065114629.db2.gz UNXWBGQSEOCOBR-UHFFFAOYSA-N -1 3 354.491 2.984 20 30 FFEDHM CCCCC[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OC ZINC001475065424 1065691661 /nfs/dbraw/zinc/69/16/61/1065691661.db2.gz NWSPKPVBDTUUSE-QGZVFWFLSA-N -1 3 366.483 2.716 20 30 FFEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=CC(=O)c1ccc(C)cc1 ZINC001579429552 1078628112 /nfs/dbraw/zinc/62/81/12/1078628112.db2.gz DZIHVROUUMHAFW-KTKRTIGZSA-N -1 3 362.393 2.594 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC001579876702 1078703989 /nfs/dbraw/zinc/70/39/89/1078703989.db2.gz GKTBCHJSICJUSJ-UHFFFAOYSA-N -1 3 368.784 2.677 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC001579876702 1078703997 /nfs/dbraw/zinc/70/39/97/1078703997.db2.gz GKTBCHJSICJUSJ-UHFFFAOYSA-N -1 3 368.784 2.677 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001579880849 1078705012 /nfs/dbraw/zinc/70/50/12/1078705012.db2.gz ADOCXHVPXDNNCI-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C#N)c2ccccc2n1 ZINC001579880849 1078705020 /nfs/dbraw/zinc/70/50/20/1078705020.db2.gz ADOCXHVPXDNNCI-UHFFFAOYSA-N -1 3 371.360 2.547 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1ccc(OCC#N)cc1 ZINC001580614311 1078837224 /nfs/dbraw/zinc/83/72/24/1078837224.db2.gz SQKYUHOOQGPULA-UHFFFAOYSA-N -1 3 362.393 2.567 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1ccc(OCC#N)cc1 ZINC001580614311 1078837231 /nfs/dbraw/zinc/83/72/31/1078837231.db2.gz SQKYUHOOQGPULA-UHFFFAOYSA-N -1 3 362.393 2.567 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3ncccc3[O-])C2)C1 ZINC001556163877 1075711480 /nfs/dbraw/zinc/71/14/80/1075711480.db2.gz NGQCHBKWZVMBFG-MLZJXEJWSA-N -1 3 372.425 2.513 20 30 FFEDHM CC(C)(C)c1ccc(Oc2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)cn2)cc1 ZINC001556750603 1075772267 /nfs/dbraw/zinc/77/22/67/1075772267.db2.gz PVRVHHLNDXTBQP-MRXNPFEDSA-N -1 3 369.421 2.891 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(CCC)ccc2Cl)nn1 ZINC001561820083 1076428509 /nfs/dbraw/zinc/42/85/09/1076428509.db2.gz VRJVKOLWPOFXMC-UHFFFAOYSA-N -1 3 368.890 2.939 20 30 FFEDHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC001565723472 1076757921 /nfs/dbraw/zinc/75/79/21/1076757921.db2.gz CVNIFPRPQBEUBG-VIFPVBQESA-N -1 3 360.395 2.543 20 30 FFEDHM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(Cc3ccc(C#N)cc3Cl)C2)cn1 ZINC001574453598 1077992241 /nfs/dbraw/zinc/99/22/41/1077992241.db2.gz IMCMMPLMLTYOJL-HUUCEWRRSA-N -1 3 358.829 2.635 20 30 FFEDHM C#C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001588329887 1079985990 /nfs/dbraw/zinc/98/59/90/1079985990.db2.gz QANRBWSOVTZAJC-SJKOYZFVSA-N -1 3 364.384 2.741 20 30 FFEDHM C#C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001588329887 1079985999 /nfs/dbraw/zinc/98/59/99/1079985999.db2.gz QANRBWSOVTZAJC-SJKOYZFVSA-N -1 3 364.384 2.741 20 30 FFEDHM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588331882 1079987231 /nfs/dbraw/zinc/98/72/31/1079987231.db2.gz DTBNRQMHYCQPCX-LLVKDONJSA-N -1 3 364.331 2.905 20 30 FFEDHM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588331882 1079987236 /nfs/dbraw/zinc/98/72/36/1079987236.db2.gz DTBNRQMHYCQPCX-LLVKDONJSA-N -1 3 364.331 2.905 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588334222 1079989100 /nfs/dbraw/zinc/98/91/00/1079989100.db2.gz QYJRMCCXYXUKGZ-OXJNMPFZSA-N -1 3 373.460 2.796 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588334222 1079989105 /nfs/dbraw/zinc/98/91/05/1079989105.db2.gz QYJRMCCXYXUKGZ-OXJNMPFZSA-N -1 3 373.460 2.796 20 30 FFEDHM C#CCN(C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC001588347076 1079990446 /nfs/dbraw/zinc/99/04/46/1079990446.db2.gz HUNYWSCPIVCCQP-OAHLLOKOSA-N -1 3 351.454 2.840 20 30 FFEDHM C#CCN(C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001588347076 1079990449 /nfs/dbraw/zinc/99/04/49/1079990449.db2.gz HUNYWSCPIVCCQP-OAHLLOKOSA-N -1 3 351.454 2.840 20 30 FFEDHM C#CCCCCCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588344818 1079990966 /nfs/dbraw/zinc/99/09/66/1079990966.db2.gz FOXZQCVHVOVKDD-HDJSIYSDSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCCCCCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588344818 1079990972 /nfs/dbraw/zinc/99/09/72/1079990972.db2.gz FOXZQCVHVOVKDD-HDJSIYSDSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001588350694 1079991599 /nfs/dbraw/zinc/99/15/99/1079991599.db2.gz LSYMFWZGPOSULO-GOSISDBHSA-N -1 3 374.404 2.898 20 30 FFEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001588350694 1079991600 /nfs/dbraw/zinc/99/16/00/1079991600.db2.gz LSYMFWZGPOSULO-GOSISDBHSA-N -1 3 374.404 2.898 20 30 FFEDHM C#CCOc1ccc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC001588361555 1079991627 /nfs/dbraw/zinc/99/16/27/1079991627.db2.gz AYGFIUDRGSZYDW-UHFFFAOYSA-N -1 3 359.389 2.549 20 30 FFEDHM C#CCOc1ccc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001588361555 1079991631 /nfs/dbraw/zinc/99/16/31/1079991631.db2.gz AYGFIUDRGSZYDW-UHFFFAOYSA-N -1 3 359.389 2.549 20 30 FFEDHM C#CCOc1ccc(-c2nnc(COc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC001588363725 1079993554 /nfs/dbraw/zinc/99/35/54/1079993554.db2.gz WUGTWRWXYQPAQR-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM C#CCOc1ccc(-c2nnc(COc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC001588363725 1079993559 /nfs/dbraw/zinc/99/35/59/1079993559.db2.gz WUGTWRWXYQPAQR-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM C#Cc1cccc(CNC(=O)N(CC=C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588374788 1079997950 /nfs/dbraw/zinc/99/79/50/1079997950.db2.gz OBCGUXXXJRKASU-UHFFFAOYSA-N -1 3 372.432 2.746 20 30 FFEDHM C#Cc1cccc(CNC(=O)N(CC=C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588374788 1079997955 /nfs/dbraw/zinc/99/79/55/1079997955.db2.gz OBCGUXXXJRKASU-UHFFFAOYSA-N -1 3 372.432 2.746 20 30 FFEDHM C=C(Br)COC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588391430 1080002709 /nfs/dbraw/zinc/00/27/09/1080002709.db2.gz KBYHWMVFMHHXGV-UHFFFAOYSA-N -1 3 369.194 2.735 20 30 FFEDHM C=C(Br)COC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588391430 1080002718 /nfs/dbraw/zinc/00/27/18/1080002718.db2.gz KBYHWMVFMHHXGV-UHFFFAOYSA-N -1 3 369.194 2.735 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588396951 1080008316 /nfs/dbraw/zinc/00/83/16/1080008316.db2.gz RMUTWYSXKUMBGI-LLVKDONJSA-N -1 3 363.491 2.541 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCCN(c1ncccc1-c1nnn[n-]1)C(C)C ZINC001588396727 1080009294 /nfs/dbraw/zinc/00/92/94/1080009294.db2.gz NMSCGAZFRPIBSC-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCCN(c1ncccc1-c1nn[n-]n1)C(C)C ZINC001588396727 1080009303 /nfs/dbraw/zinc/00/93/03/1080009303.db2.gz NMSCGAZFRPIBSC-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)c(C)c2)SC1=S ZINC001588429438 1080024928 /nfs/dbraw/zinc/02/49/28/1080024928.db2.gz BBQBYCOYQWXVRJ-NTUHNPAUSA-N -1 3 357.464 2.952 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)c(C)c2)SC1=S ZINC001588429438 1080024937 /nfs/dbraw/zinc/02/49/37/1080024937.db2.gz BBQBYCOYQWXVRJ-NTUHNPAUSA-N -1 3 357.464 2.952 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccncc1-c1nnn[n-]1 ZINC001588430467 1080025432 /nfs/dbraw/zinc/02/54/32/1080025432.db2.gz QDEWUROWEQYHKW-UHFFFAOYSA-N -1 3 352.446 2.617 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccncc1-c1nn[n-]n1 ZINC001588430467 1080025440 /nfs/dbraw/zinc/02/54/40/1080025440.db2.gz QDEWUROWEQYHKW-UHFFFAOYSA-N -1 3 352.446 2.617 20 30 FFEDHM C#CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc1 ZINC001588458161 1080034361 /nfs/dbraw/zinc/03/43/61/1080034361.db2.gz KGCYBSPVYKNKCT-IBGZPJMESA-N -1 3 355.390 2.718 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588468797 1080039480 /nfs/dbraw/zinc/03/94/80/1080039480.db2.gz XDGDVDYWECPZEY-UHFFFAOYSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588468797 1080039489 /nfs/dbraw/zinc/03/94/89/1080039489.db2.gz XDGDVDYWECPZEY-UHFFFAOYSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588484316 1080047531 /nfs/dbraw/zinc/04/75/31/1080047531.db2.gz AQVPDRJPGDGZTK-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588484316 1080047540 /nfs/dbraw/zinc/04/75/40/1080047540.db2.gz AQVPDRJPGDGZTK-GFCCVEGCSA-N -1 3 358.421 2.621 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)CC(C)C ZINC001588492157 1080055014 /nfs/dbraw/zinc/05/50/14/1080055014.db2.gz PBTRRVMHEZBTSE-IFXJQAMLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)CC(C)C ZINC001588492157 1080055022 /nfs/dbraw/zinc/05/50/22/1080055022.db2.gz PBTRRVMHEZBTSE-IFXJQAMLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588495277 1080058188 /nfs/dbraw/zinc/05/81/88/1080058188.db2.gz ASQCSOBYTXVEKR-HNAYVOBHSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C[C@](C)(CC)C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588495277 1080058198 /nfs/dbraw/zinc/05/81/98/1080058198.db2.gz ASQCSOBYTXVEKR-HNAYVOBHSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588525651 1080077933 /nfs/dbraw/zinc/07/79/33/1080077933.db2.gz ZLWKKGMYRQOKEL-JHJVBQTASA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588525651 1080077944 /nfs/dbraw/zinc/07/79/44/1080077944.db2.gz ZLWKKGMYRQOKEL-JHJVBQTASA-N -1 3 358.421 2.667 20 30 FFEDHM C=CC[C@@H](C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588530566 1080079291 /nfs/dbraw/zinc/07/92/91/1080079291.db2.gz OXXIMJDSYKLXDC-GOSISDBHSA-N -1 3 363.421 2.722 20 30 FFEDHM C=CC[C@H](NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC001588545894 1080089069 /nfs/dbraw/zinc/08/90/69/1080089069.db2.gz QNYROPYIUBSZES-KSSFIOAISA-N -1 3 362.437 2.874 20 30 FFEDHM C=CC[C@H](NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC001588545894 1080089078 /nfs/dbraw/zinc/08/90/78/1080089078.db2.gz QNYROPYIUBSZES-KSSFIOAISA-N -1 3 362.437 2.874 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001588544665 1080089139 /nfs/dbraw/zinc/08/91/39/1080089139.db2.gz OVTBTOSNZYOPCJ-KGLIPLIRSA-N -1 3 369.473 2.644 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001588544665 1080089148 /nfs/dbraw/zinc/08/91/48/1080089148.db2.gz OVTBTOSNZYOPCJ-KGLIPLIRSA-N -1 3 369.473 2.644 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588559391 1080096118 /nfs/dbraw/zinc/09/61/18/1080096118.db2.gz JWXDUODBCATIIX-CXAGYDPISA-N -1 3 352.442 2.852 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588559391 1080096126 /nfs/dbraw/zinc/09/61/26/1080096126.db2.gz JWXDUODBCATIIX-CXAGYDPISA-N -1 3 352.442 2.852 20 30 FFEDHM C=CCC1(O)CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC001588559763 1080096480 /nfs/dbraw/zinc/09/64/80/1080096480.db2.gz LIWREEATUAYTLZ-UHFFFAOYSA-N -1 3 353.348 2.793 20 30 FFEDHM C=CCC1(O)CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC001588559763 1080096485 /nfs/dbraw/zinc/09/64/85/1080096485.db2.gz LIWREEATUAYTLZ-UHFFFAOYSA-N -1 3 353.348 2.793 20 30 FFEDHM C=CCC1(NC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CCCCC1 ZINC001588557970 1080096976 /nfs/dbraw/zinc/09/69/76/1080096976.db2.gz XYJKPHOJBSKFEJ-QGZVFWFLSA-N -1 3 366.469 2.912 20 30 FFEDHM C=CCC1(NC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CCCCC1 ZINC001588557970 1080096981 /nfs/dbraw/zinc/09/69/81/1080096981.db2.gz XYJKPHOJBSKFEJ-QGZVFWFLSA-N -1 3 366.469 2.912 20 30 FFEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001588563830 1080100315 /nfs/dbraw/zinc/10/03/15/1080100315.db2.gz CIZGHOCLRMQAJR-CYBMUJFWSA-N -1 3 365.393 2.829 20 30 FFEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001588563830 1080100322 /nfs/dbraw/zinc/10/03/22/1080100322.db2.gz CIZGHOCLRMQAJR-CYBMUJFWSA-N -1 3 365.393 2.829 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588582101 1080107329 /nfs/dbraw/zinc/10/73/29/1080107329.db2.gz GXBBVSCBVWDSAV-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588582101 1080107332 /nfs/dbraw/zinc/10/73/32/1080107332.db2.gz GXBBVSCBVWDSAV-GJZGRUSLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2OCC)CC1 ZINC001588585652 1080110084 /nfs/dbraw/zinc/11/00/84/1080110084.db2.gz RYQZESLHUKEQBJ-UHFFFAOYSA-N -1 3 361.442 2.946 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588587548 1080111020 /nfs/dbraw/zinc/11/10/20/1080111020.db2.gz XQNBPBYUERJSAW-GJZGRUSLSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588587548 1080111022 /nfs/dbraw/zinc/11/10/22/1080111022.db2.gz XQNBPBYUERJSAW-GJZGRUSLSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588593688 1080115438 /nfs/dbraw/zinc/11/54/38/1080115438.db2.gz GTCHOCFYVKSQEP-UHFFFAOYSA-N -1 3 374.420 2.587 20 30 FFEDHM C=CCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588593688 1080115443 /nfs/dbraw/zinc/11/54/43/1080115443.db2.gz GTCHOCFYVKSQEP-UHFFFAOYSA-N -1 3 374.420 2.587 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccccc1 ZINC001588626961 1080127541 /nfs/dbraw/zinc/12/75/41/1080127541.db2.gz XTFMMGDGIRWVKV-UHFFFAOYSA-N -1 3 372.436 2.796 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccccc1 ZINC001588626961 1080127544 /nfs/dbraw/zinc/12/75/44/1080127544.db2.gz XTFMMGDGIRWVKV-UHFFFAOYSA-N -1 3 372.436 2.796 20 30 FFEDHM C=CCN(CCC#N)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588631704 1080129758 /nfs/dbraw/zinc/12/97/58/1080129758.db2.gz KYKBTVMMUAQLNN-UHFFFAOYSA-N -1 3 351.197 2.715 20 30 FFEDHM C=CCN(CCC#N)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588631704 1080129761 /nfs/dbraw/zinc/12/97/61/1080129761.db2.gz KYKBTVMMUAQLNN-UHFFFAOYSA-N -1 3 351.197 2.715 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(OC(C)C)CCC1 ZINC001588640008 1080133282 /nfs/dbraw/zinc/13/32/82/1080133282.db2.gz YXXJKSQHLJBCMY-UHFFFAOYSA-N -1 3 355.442 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(OC(C)C)CCC1 ZINC001588640008 1080133286 /nfs/dbraw/zinc/13/32/86/1080133286.db2.gz YXXJKSQHLJBCMY-UHFFFAOYSA-N -1 3 355.442 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccc(C#N)c1 ZINC001588642096 1080134653 /nfs/dbraw/zinc/13/46/53/1080134653.db2.gz SHSJYCYRGFOBQY-UHFFFAOYSA-N -1 3 373.420 2.636 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccc(C#N)c1 ZINC001588642096 1080134657 /nfs/dbraw/zinc/13/46/57/1080134657.db2.gz SHSJYCYRGFOBQY-UHFFFAOYSA-N -1 3 373.420 2.636 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C2CC2)n1CCC ZINC001588652236 1080142065 /nfs/dbraw/zinc/14/20/65/1080142065.db2.gz PVFXMWIIRFGWOM-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C2CC2)n1CCC ZINC001588652236 1080142071 /nfs/dbraw/zinc/14/20/71/1080142071.db2.gz PVFXMWIIRFGWOM-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCO[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001588665396 1080146829 /nfs/dbraw/zinc/14/68/29/1080146829.db2.gz KKEKEAXMJLOOKJ-AWEZNQCLSA-N -1 3 354.414 2.553 20 30 FFEDHM C=CCO[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001588665396 1080146836 /nfs/dbraw/zinc/14/68/36/1080146836.db2.gz KKEKEAXMJLOOKJ-AWEZNQCLSA-N -1 3 354.414 2.553 20 30 FFEDHM C=CCOc1cccnc1C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588688245 1080154634 /nfs/dbraw/zinc/15/46/34/1080154634.db2.gz BJFRFNVXMGMGDE-CYBMUJFWSA-N -1 3 364.409 2.660 20 30 FFEDHM C=CCOc1cccnc1C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588688245 1080154646 /nfs/dbraw/zinc/15/46/46/1080154646.db2.gz BJFRFNVXMGMGDE-CYBMUJFWSA-N -1 3 364.409 2.660 20 30 FFEDHM C=CCOc1cccc(CNc2cnn(-c3ncccc3-c3nnn[n-]3)c2)c1 ZINC001588689310 1080156463 /nfs/dbraw/zinc/15/64/63/1080156463.db2.gz DWTOAEUIRYIZQO-UHFFFAOYSA-N -1 3 374.408 2.624 20 30 FFEDHM C=CCOc1cccc(CNc2cnn(-c3ncccc3-c3nn[n-]n3)c2)c1 ZINC001588689310 1080156470 /nfs/dbraw/zinc/15/64/70/1080156470.db2.gz DWTOAEUIRYIZQO-UHFFFAOYSA-N -1 3 374.408 2.624 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CCC1CC1 ZINC001588696695 1080159982 /nfs/dbraw/zinc/15/99/82/1080159982.db2.gz OUZPBQNSHHTOKV-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CCC1CC1 ZINC001588696695 1080159984 /nfs/dbraw/zinc/15/99/84/1080159984.db2.gz OUZPBQNSHHTOKV-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCn1c(-c2cnc(C)c(-c3nnn[n-]3)c2)nnc1N(C)[C@H](C)CCC ZINC001588705524 1080163367 /nfs/dbraw/zinc/16/33/67/1080163367.db2.gz YRLSULCNVAQYJO-GFCCVEGCSA-N -1 3 367.461 2.639 20 30 FFEDHM C=CCn1c(-c2cnc(C)c(-c3nn[n-]n3)c2)nnc1N(C)[C@H](C)CCC ZINC001588705524 1080163370 /nfs/dbraw/zinc/16/33/70/1080163370.db2.gz YRLSULCNVAQYJO-GFCCVEGCSA-N -1 3 367.461 2.639 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588719000 1080169526 /nfs/dbraw/zinc/16/95/26/1080169526.db2.gz VOMRPQYTTAAMJZ-YPMHNXCESA-N -1 3 350.220 2.775 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1Nc1cc(Br)ccc1-c1nn[n-]n1 ZINC001588719000 1080169529 /nfs/dbraw/zinc/16/95/29/1080169529.db2.gz VOMRPQYTTAAMJZ-YPMHNXCESA-N -1 3 350.220 2.775 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588924367 1080268607 /nfs/dbraw/zinc/26/86/07/1080268607.db2.gz LDSNWRCKUHKLTN-LJQANCHMSA-N -1 3 364.384 2.651 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588924367 1080268613 /nfs/dbraw/zinc/26/86/13/1080268613.db2.gz LDSNWRCKUHKLTN-LJQANCHMSA-N -1 3 364.384 2.651 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588937367 1080272534 /nfs/dbraw/zinc/27/25/34/1080272534.db2.gz ZDTUZAUXBMFXLY-VIFPVBQESA-N -1 3 355.383 2.863 20 30 FFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588937367 1080272545 /nfs/dbraw/zinc/27/25/45/1080272545.db2.gz ZDTUZAUXBMFXLY-VIFPVBQESA-N -1 3 355.383 2.863 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CC[C@@H](C#N)C1 ZINC001589488551 1080560356 /nfs/dbraw/zinc/56/03/56/1080560356.db2.gz STSAQOBRXHCZGV-WWGRRREGSA-N -1 3 355.398 2.506 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CC[C@@H](C#N)C1 ZINC001589488551 1080560359 /nfs/dbraw/zinc/56/03/59/1080560359.db2.gz STSAQOBRXHCZGV-WWGRRREGSA-N -1 3 355.398 2.506 20 30 FFEDHM C[C@H](CN(C)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001589837064 1080787834 /nfs/dbraw/zinc/78/78/34/1080787834.db2.gz SWWCTUVZBGNOGC-CJNGLKHVSA-N -1 3 354.458 2.690 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001589936986 1080881296 /nfs/dbraw/zinc/88/12/96/1080881296.db2.gz KQZFHGDTXANHMF-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(C#N)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001589936986 1080881301 /nfs/dbraw/zinc/88/13/01/1080881301.db2.gz KQZFHGDTXANHMF-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001590023830 1080950211 /nfs/dbraw/zinc/95/02/11/1080950211.db2.gz RAKNERUQLURKEI-NSHDSACASA-N -1 3 359.349 2.928 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001590023830 1080950214 /nfs/dbraw/zinc/95/02/14/1080950214.db2.gz RAKNERUQLURKEI-NSHDSACASA-N -1 3 359.349 2.928 20 30 FFEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001590033062 1080958603 /nfs/dbraw/zinc/95/86/03/1080958603.db2.gz MNSFLTIVEDGPJB-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001590033062 1080958611 /nfs/dbraw/zinc/95/86/11/1080958611.db2.gz MNSFLTIVEDGPJB-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1nc2ncccc2cc1C#N ZINC001590045918 1080973539 /nfs/dbraw/zinc/97/35/39/1080973539.db2.gz DUIJRGOMLOWJSP-LBPRGKRZSA-N -1 3 356.393 2.879 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1nc2ncccc2cc1C#N ZINC001590045918 1080973544 /nfs/dbraw/zinc/97/35/44/1080973544.db2.gz DUIJRGOMLOWJSP-LBPRGKRZSA-N -1 3 356.393 2.879 20 30 FFEDHM N#Cc1ccc(CN[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001608207459 1126236123 /nfs/dbraw/zinc/23/61/23/1126236123.db2.gz JBOHDMZZBCZYKE-INIZCTEOSA-N -1 3 365.345 2.998 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSc2ccccc21 ZINC000060951808 249603723 /nfs/dbraw/zinc/60/37/23/249603723.db2.gz KZMZOCSUNKUCET-UHFFFAOYSA-N -1 3 353.447 2.935 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000175501733 251218840 /nfs/dbraw/zinc/21/88/40/251218840.db2.gz XDGVRHFKOQMCSM-IRXDYDNUSA-N -1 3 359.495 2.683 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000272360214 252019180 /nfs/dbraw/zinc/01/91/80/252019180.db2.gz BSMPHDDMZOZHFG-LBPRGKRZSA-N -1 3 362.373 2.815 20 30 FFEDHM COc1ccc(C#N)cc1NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C ZINC000273417141 252303188 /nfs/dbraw/zinc/30/31/88/252303188.db2.gz RCFFRXYBPYTIQE-LLVKDONJSA-N -1 3 364.402 2.533 20 30 FFEDHM COc1ccc(C#N)cc1NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000273417141 252303193 /nfs/dbraw/zinc/30/31/93/252303193.db2.gz RCFFRXYBPYTIQE-LLVKDONJSA-N -1 3 364.402 2.533 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000276061532 256069331 /nfs/dbraw/zinc/06/93/31/256069331.db2.gz QFKBVCVHYRLOEV-NSHDSACASA-N -1 3 364.448 2.754 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H]([N-]c3nnc(C(F)(F)F)s3)C2=O)cc1 ZINC000277491277 256203591 /nfs/dbraw/zinc/20/35/91/256203591.db2.gz UERDUXQSQMOHJK-LLVKDONJSA-N -1 3 367.356 2.642 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000282154053 256698716 /nfs/dbraw/zinc/69/87/16/256698716.db2.gz XEDVGVBNLROLIJ-QGZVFWFLSA-N -1 3 357.454 2.674 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000331639949 258194354 /nfs/dbraw/zinc/19/43/54/258194354.db2.gz RTZFNHHFWIZOPV-CQSZACIVSA-N -1 3 363.414 2.546 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427746936 514300325 /nfs/dbraw/zinc/30/03/25/514300325.db2.gz JMMDWKYNTCLUAO-SNVBAGLBSA-N -1 3 354.325 2.941 20 30 FFEDHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CCC2 ZINC000370954929 512151827 /nfs/dbraw/zinc/15/18/27/512151827.db2.gz WPGZWJLAMSJHCR-LBPRGKRZSA-N -1 3 364.858 2.573 20 30 FFEDHM COc1ccc(C(=O)N2CCN(C)CC2)cc1/N=C/c1ccccc1[O-] ZINC000067005681 506724571 /nfs/dbraw/zinc/72/45/71/506724571.db2.gz KMCUEZVAYFHKIP-KGENOOAVSA-N -1 3 353.422 2.539 20 30 FFEDHM CCOc1cc(C#N)ccc1OCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000043276457 506726621 /nfs/dbraw/zinc/72/66/21/506726621.db2.gz ARIHGGLFWUWBJR-UHFFFAOYSA-N -1 3 374.418 2.590 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055465752 506759482 /nfs/dbraw/zinc/75/94/82/506759482.db2.gz LZAJYOAGHPPPSF-LBPRGKRZSA-N -1 3 368.393 2.582 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000055656457 506816603 /nfs/dbraw/zinc/81/66/03/506816603.db2.gz MSIKECJGKFWCHY-GOSISDBHSA-N -1 3 353.397 2.739 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(Cl)s1 ZINC000044810625 506890440 /nfs/dbraw/zinc/89/04/40/506890440.db2.gz ABOOVDFCYPYZNE-UHFFFAOYSA-N -1 3 363.870 2.870 20 30 FFEDHM C=CCOc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000029691148 507787270 /nfs/dbraw/zinc/78/72/70/507787270.db2.gz YYAPUXDNXGLKEU-UHFFFAOYSA-N -1 3 366.417 2.555 20 30 FFEDHM CCCO[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000108234601 507882139 /nfs/dbraw/zinc/88/21/39/507882139.db2.gz ONEMNBIZDAEJST-MRXNPFEDSA-N -1 3 359.470 2.604 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000090498688 507923041 /nfs/dbraw/zinc/92/30/41/507923041.db2.gz RSWNRYAFRZMKLT-UHFFFAOYSA-N -1 3 361.405 2.825 20 30 FFEDHM N#Cc1ccc(-n2nccc2NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000112950965 508235837 /nfs/dbraw/zinc/23/58/37/508235837.db2.gz MYCDTBNZGLPYHJ-UHFFFAOYSA-N -1 3 373.332 2.781 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1F ZINC000114795153 508347872 /nfs/dbraw/zinc/34/78/72/508347872.db2.gz ATXYXUZIXUXDHK-INIZCTEOSA-N -1 3 353.353 2.646 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c(C(F)(F)F)c1 ZINC000152294799 508417501 /nfs/dbraw/zinc/41/75/01/508417501.db2.gz KXBIUHVYWNDUPL-JTQLQIEISA-N -1 3 350.387 2.751 20 30 FFEDHM CN(CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000156708813 508465720 /nfs/dbraw/zinc/46/57/20/508465720.db2.gz ICDMFVDSMGBEIG-UHFFFAOYSA-N -1 3 363.870 2.622 20 30 FFEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1ccco1 ZINC000152719474 508501033 /nfs/dbraw/zinc/50/10/33/508501033.db2.gz RIGASHYYSFNKFE-SFHVURJKSA-N -1 3 369.402 2.623 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1ccccc1F ZINC000122651037 508567607 /nfs/dbraw/zinc/56/76/07/508567607.db2.gz WUBHJJLZTVGPCW-LLVKDONJSA-N -1 3 352.362 2.582 20 30 FFEDHM CC(=O)c1c(C)cccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000157589885 508584870 /nfs/dbraw/zinc/58/48/70/508584870.db2.gz VPAVAKAYKNANJN-UHFFFAOYSA-N -1 3 351.406 2.946 20 30 FFEDHM Cc1cc(C)c(C#N)c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000128727666 508635122 /nfs/dbraw/zinc/63/51/22/508635122.db2.gz KZFPRPSVMAMFJU-UHFFFAOYSA-N -1 3 370.887 2.675 20 30 FFEDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3ccc(Cl)cc3C#N)nc12 ZINC000128774388 508642026 /nfs/dbraw/zinc/64/20/26/508642026.db2.gz YLASCMLRHHSNTH-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000124098313 508782736 /nfs/dbraw/zinc/78/27/36/508782736.db2.gz OPBIGUXKBVHKBD-HNNXBMFYSA-N -1 3 352.362 2.502 20 30 FFEDHM N#Cc1cc(F)c(C(=O)[N-]c2c[nH]cc(Br)c2=O)c(F)c1 ZINC000119415849 508791891 /nfs/dbraw/zinc/79/18/91/508791891.db2.gz NIEDLOKJDQKAEV-UHFFFAOYSA-N -1 3 354.110 2.952 20 30 FFEDHM N#Cc1cnc2ccccc2c1NCC[N-]S(=O)(=O)c1cccs1 ZINC000120036257 508914786 /nfs/dbraw/zinc/91/47/86/508914786.db2.gz RJSBFWARZCSJND-UHFFFAOYSA-N -1 3 358.448 2.558 20 30 FFEDHM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C ZINC000131924304 508981502 /nfs/dbraw/zinc/98/15/02/508981502.db2.gz PLHMBGXSGJGTGG-LBPRGKRZSA-N -1 3 350.378 2.795 20 30 FFEDHM COc1ccc(Br)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1 ZINC000132310499 509013287 /nfs/dbraw/zinc/01/32/87/509013287.db2.gz ZYWWHEAGZURYJZ-UHFFFAOYSA-N -1 3 373.272 2.962 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1 ZINC000126550680 509094498 /nfs/dbraw/zinc/09/44/98/509094498.db2.gz IRELIOCAOGQRAC-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Cc1cccs1 ZINC000156293708 509155769 /nfs/dbraw/zinc/15/57/69/509155769.db2.gz MUIGZWXSHDDAOT-GFCCVEGCSA-N -1 3 357.479 2.853 20 30 FFEDHM Cc1ccc(C[C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000127000423 509157176 /nfs/dbraw/zinc/15/71/76/509157176.db2.gz TUISLJPLHPCJFB-LLVKDONJSA-N -1 3 357.479 2.913 20 30 FFEDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3cc(C#N)ccc3Cl)nc12 ZINC000185580015 509248395 /nfs/dbraw/zinc/24/83/95/509248395.db2.gz NRHIRRJQLDUTSU-UHFFFAOYSA-N -1 3 360.826 2.646 20 30 FFEDHM C[C@H](C#N)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000182768026 509418179 /nfs/dbraw/zinc/41/81/79/509418179.db2.gz GWZVWMIQELRXOZ-LLVKDONJSA-N -1 3 364.833 2.565 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Cl)cc1F ZINC000189264581 509490254 /nfs/dbraw/zinc/49/02/54/509490254.db2.gz MXXHHORZOJKBIU-UHFFFAOYSA-N -1 3 361.804 2.905 20 30 FFEDHM Cc1cccc(C)c1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000165071094 509553585 /nfs/dbraw/zinc/55/35/85/509553585.db2.gz SSBKMEZHQYLNFT-UHFFFAOYSA-N -1 3 351.450 2.772 20 30 FFEDHM Cc1nc(CN2CCC(C/N=C/c3c([O-])c(C)ncc3CO)CC2)oc1C ZINC000264627094 509618844 /nfs/dbraw/zinc/61/88/44/509618844.db2.gz JXCXUJBYNJDHAB-UFFVCSGVSA-N -1 3 372.469 2.524 20 30 FFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000173537922 509644736 /nfs/dbraw/zinc/64/47/36/509644736.db2.gz BBQPBWNONUEMNZ-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000186418020 509698615 /nfs/dbraw/zinc/69/86/15/509698615.db2.gz BSBLAKXAQNFHRW-AWEZNQCLSA-N -1 3 366.266 2.877 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cn1 ZINC000170662753 509706344 /nfs/dbraw/zinc/70/63/44/509706344.db2.gz NRXRKLULKRQIKS-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM N#Cc1ccccc1Oc1ccccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000183483054 509818754 /nfs/dbraw/zinc/81/87/54/509818754.db2.gz RCJALNQSPJZVPL-UHFFFAOYSA-N -1 3 372.384 2.632 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000183522449 509840091 /nfs/dbraw/zinc/84/00/91/509840091.db2.gz XLJXBUDLVQUOFS-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCCC#N ZINC000183647397 509904071 /nfs/dbraw/zinc/90/40/71/509904071.db2.gz KOSFXSNUEYIRHA-UHFFFAOYSA-N -1 3 365.224 2.569 20 30 FFEDHM C=CCC[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000186821333 509906914 /nfs/dbraw/zinc/90/69/14/509906914.db2.gz HPPYWLMMZOBQSH-IBGZPJMESA-N -1 3 352.434 2.988 20 30 FFEDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(C#N)cc1 ZINC000177742333 510228950 /nfs/dbraw/zinc/22/89/50/510228950.db2.gz UIGTXUDWCNONBD-GOSISDBHSA-N -1 3 374.824 2.626 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269362077 510361001 /nfs/dbraw/zinc/36/10/01/510361001.db2.gz UQKHOYQUMJSRSI-HXUWFJFHSA-N -1 3 370.453 2.533 20 30 FFEDHM N#Cc1ccc(CN2CC[C@H](NCc3cccc(Cl)c3[O-])C2=O)cc1 ZINC000190837684 510366577 /nfs/dbraw/zinc/36/65/77/510366577.db2.gz JPBYIPVPDKGITM-KRWDZBQOSA-N -1 3 355.825 2.808 20 30 FFEDHM CCS[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000175255337 510554436 /nfs/dbraw/zinc/55/44/36/510554436.db2.gz RAXQLXZEIQXSJQ-DLBZAZTESA-N -1 3 361.511 2.977 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOCc2ccccc2)c1 ZINC000185021397 510639520 /nfs/dbraw/zinc/63/95/20/510639520.db2.gz HGPDHIYLOCJGIA-UHFFFAOYSA-N -1 3 350.827 2.707 20 30 FFEDHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185083574 510674990 /nfs/dbraw/zinc/67/49/90/510674990.db2.gz PJCKDCFYDIBZNK-UTWWPYJBSA-N -1 3 374.915 2.570 20 30 FFEDHM C=CCN(CC=C)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000175843472 510819882 /nfs/dbraw/zinc/81/98/82/510819882.db2.gz FGRZTIRGBHIIOJ-UHFFFAOYSA-N -1 3 357.435 2.844 20 30 FFEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1 ZINC000282283455 510914700 /nfs/dbraw/zinc/91/47/00/510914700.db2.gz KXRKMAKHMQVIGH-UHFFFAOYSA-N -1 3 359.329 2.606 20 30 FFEDHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)CC#N ZINC000276060528 510926595 /nfs/dbraw/zinc/92/65/95/510926595.db2.gz UXLYHADYZWDCHP-JTQLQIEISA-N -1 3 363.439 2.501 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000290923563 511153988 /nfs/dbraw/zinc/15/39/88/511153988.db2.gz IPLLRSWKYBUFCD-INIZCTEOSA-N -1 3 372.874 2.726 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H](NCc3cc(Cl)c(F)cc3[O-])C2=O)cc1 ZINC000294769069 511171759 /nfs/dbraw/zinc/17/17/59/511171759.db2.gz STPLPHZCVRRDTI-QGZVFWFLSA-N -1 3 373.815 2.947 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000279696309 511180763 /nfs/dbraw/zinc/18/07/63/511180763.db2.gz ISPIHUQVNONION-CRAIPNDOSA-N -1 3 358.438 2.551 20 30 FFEDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000291816300 511349986 /nfs/dbraw/zinc/34/99/86/511349986.db2.gz ZXECKIVNNGPCJJ-CQSZACIVSA-N -1 3 362.373 2.670 20 30 FFEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(=O)NC1CC(F)(F)C1 ZINC000298832612 511424293 /nfs/dbraw/zinc/42/42/93/511424293.db2.gz HHVIAJJMCDEMTM-JTQLQIEISA-N -1 3 372.240 2.598 20 30 FFEDHM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000273621309 511553934 /nfs/dbraw/zinc/55/39/34/511553934.db2.gz VUFSCGPLRHGTHM-JTQLQIEISA-N -1 3 364.389 2.652 20 30 FFEDHM COc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000299281600 511576940 /nfs/dbraw/zinc/57/69/40/511576940.db2.gz HPNZSCKUYCCCOT-UHFFFAOYSA-N -1 3 353.422 2.876 20 30 FFEDHM COc1ncc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl ZINC000296015611 511590052 /nfs/dbraw/zinc/59/00/52/511590052.db2.gz UFLGYRNQSIPPAG-UHFFFAOYSA-N -1 3 374.828 2.582 20 30 FFEDHM CCc1cc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)ccc1[O-] ZINC000365958858 511750326 /nfs/dbraw/zinc/75/03/26/511750326.db2.gz AOQOMIOOPJNHAV-UHFFFAOYSA-N -1 3 350.422 2.620 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H](CCC)OC)no2)ccc1F ZINC000296458904 511751908 /nfs/dbraw/zinc/75/19/08/511751908.db2.gz NQDKOCAQPAXDCF-ZDUSSCGKSA-N -1 3 369.418 2.828 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000316160468 511802246 /nfs/dbraw/zinc/80/22/46/511802246.db2.gz VDQMPEHZXLKWMD-JTQLQIEISA-N -1 3 368.680 2.708 20 30 FFEDHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000327651897 511879292 /nfs/dbraw/zinc/87/92/92/511879292.db2.gz WHMYGIGGRAFBMG-NSHDSACASA-N -1 3 362.382 2.523 20 30 FFEDHM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000329883590 512105516 /nfs/dbraw/zinc/10/55/16/512105516.db2.gz RFRQWJRRPOGNHV-VXGBXAGGSA-N -1 3 369.462 2.727 20 30 FFEDHM CC[C@H](NC(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(F)F ZINC000411567904 512694527 /nfs/dbraw/zinc/69/45/27/512694527.db2.gz KBGVUSBWPUZKRF-WPRPVWTQSA-N -1 3 374.256 2.844 20 30 FFEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000369947325 512694995 /nfs/dbraw/zinc/69/49/95/512694995.db2.gz GCVRBNBEQNGTHH-ZFWWWQNUSA-N -1 3 364.496 2.548 20 30 FFEDHM Cc1cccc([N-]S(=O)(=O)c2cncc(C#N)c2)c1Br ZINC000380621366 512873208 /nfs/dbraw/zinc/87/32/08/512873208.db2.gz ADRSZWSUSHXJIT-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM N#CC1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000408194342 513018822 /nfs/dbraw/zinc/01/88/22/513018822.db2.gz HILLOCMMHCMSOB-UHFFFAOYSA-N -1 3 360.211 2.666 20 30 FFEDHM CO[C@H]1c2ccccc2C[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000412497163 513135800 /nfs/dbraw/zinc/13/58/00/513135800.db2.gz QLRXFKNLIWJFHO-QUCCMNQESA-N -1 3 365.433 2.637 20 30 FFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000421253111 513178485 /nfs/dbraw/zinc/17/84/85/513178485.db2.gz WGXCUHHBIWTOAR-ZDUSSCGKSA-N -1 3 368.402 2.741 20 30 FFEDHM C=CCC1(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCOCC1 ZINC000424570855 513186670 /nfs/dbraw/zinc/18/66/70/513186670.db2.gz WDSWKUGMMBTSPS-UHFFFAOYSA-N -1 3 372.465 2.942 20 30 FFEDHM C=CCCn1cc(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)nn1 ZINC000425140520 513425722 /nfs/dbraw/zinc/42/57/22/513425722.db2.gz FAMYKVXSDITFHP-UHFFFAOYSA-N -1 3 350.426 2.844 20 30 FFEDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000435157877 513525776 /nfs/dbraw/zinc/52/57/76/513525776.db2.gz GCQBECKRQXYSHG-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435439658 513589236 /nfs/dbraw/zinc/58/92/36/513589236.db2.gz UHQBTBUHPBDOAX-BDJLRTHQSA-N -1 3 366.464 2.683 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N2CCCC2)s1 ZINC000435440256 513589342 /nfs/dbraw/zinc/58/93/42/513589342.db2.gz UZDZHLWCGCTICW-INIZCTEOSA-N -1 3 361.492 2.735 20 30 FFEDHM O=S(=O)([N-]CCOC(F)(F)F)c1ccc(C(F)(F)F)c(F)c1 ZINC000447869127 513607429 /nfs/dbraw/zinc/60/74/29/513607429.db2.gz PHKXFBULVIMIMC-UHFFFAOYSA-N -1 3 355.231 2.659 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457524 513781043 /nfs/dbraw/zinc/78/10/43/513781043.db2.gz OIPZICFKZNBOMW-SECBINFHSA-N -1 3 351.306 2.584 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000443271963 513916702 /nfs/dbraw/zinc/91/67/02/513916702.db2.gz FXMVWVVXHGLRLG-UHFFFAOYSA-N -1 3 350.827 2.828 20 30 FFEDHM COc1ccc(CNc2n[nH]c(C3CC3)c2C#N)c(Br)c1[O-] ZINC000419775103 513918410 /nfs/dbraw/zinc/91/84/10/513918410.db2.gz JEVAGXDLGCKXCW-UHFFFAOYSA-N -1 3 363.215 2.669 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000443305356 513928765 /nfs/dbraw/zinc/92/87/65/513928765.db2.gz FWLVRWXFBQGGTI-HNNXBMFYSA-N -1 3 356.875 2.821 20 30 FFEDHM C=C(CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000436685042 513943568 /nfs/dbraw/zinc/94/35/68/513943568.db2.gz AFYKYBTYPXADGR-UHFFFAOYSA-N -1 3 365.433 2.573 20 30 FFEDHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443362488 513948688 /nfs/dbraw/zinc/94/86/88/513948688.db2.gz YMXBKRQQBHCNLO-LRDDRELGSA-N -1 3 356.875 2.941 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000443506471 513983556 /nfs/dbraw/zinc/98/35/56/513983556.db2.gz FJFJRBMXHSULTB-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM CO[C@](C)(C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000451807095 513993451 /nfs/dbraw/zinc/99/34/51/513993451.db2.gz GSPMVXDDHVODQY-GOSISDBHSA-N -1 3 362.426 2.679 20 30 FFEDHM COC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000451809921 513993673 /nfs/dbraw/zinc/99/36/73/513993673.db2.gz NEPINVPYGWYOHI-LBPRGKRZSA-N -1 3 370.883 2.982 20 30 FFEDHM N#CCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436823909 513995693 /nfs/dbraw/zinc/99/56/93/513995693.db2.gz XSOBETUXXWWXDJ-GOSISDBHSA-N -1 3 351.406 2.673 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000416966178 514072957 /nfs/dbraw/zinc/07/29/57/514072957.db2.gz VMFFIAGEBOLYJW-CQSZACIVSA-N -1 3 371.890 2.857 20 30 FFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000432290638 514149556 /nfs/dbraw/zinc/14/95/56/514149556.db2.gz DAWGHYWJHKMSPJ-UHFFFAOYSA-N -1 3 374.890 2.589 20 30 FFEDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000420734358 514267431 /nfs/dbraw/zinc/26/74/31/514267431.db2.gz VZFXTUMYIGFOQB-NWDGAFQWSA-N -1 3 362.373 2.813 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cn1 ZINC000432964955 514337319 /nfs/dbraw/zinc/33/73/19/514337319.db2.gz CLWVNGKHNYVAQX-CYBMUJFWSA-N -1 3 359.304 2.516 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCCC1 ZINC000428268624 514437072 /nfs/dbraw/zinc/43/70/72/514437072.db2.gz FMUJPWFLYZHMCU-UHFFFAOYSA-N -1 3 359.426 2.883 20 30 FFEDHM Cn1cc(CC[N-]S(=O)(=O)c2cccnc2C#N)c2ccc(Cl)cc21 ZINC000428362261 514456227 /nfs/dbraw/zinc/45/62/27/514456227.db2.gz GRFYOHGGXWKMPS-UHFFFAOYSA-N -1 3 374.853 2.619 20 30 FFEDHM CSc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000438905430 514464190 /nfs/dbraw/zinc/46/41/90/514464190.db2.gz WWQADVXKJQGDRI-UHFFFAOYSA-N -1 3 363.420 2.667 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(Cl)c1F ZINC000428402247 514467311 /nfs/dbraw/zinc/46/73/11/514467311.db2.gz HNIUWEVTMYAETP-UHFFFAOYSA-N -1 3 353.806 2.959 20 30 FFEDHM Cc1cccc(C[N-]S(=O)(=O)c2cccnc2C#N)c1Br ZINC000428405549 514467765 /nfs/dbraw/zinc/46/77/65/514467765.db2.gz UQXFQWDIZASNET-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)CC#N)c1 ZINC000457999072 514523150 /nfs/dbraw/zinc/52/31/50/514523150.db2.gz YVFWZTBFMXYBSS-UHFFFAOYSA-N -1 3 356.382 2.611 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)ccc1Cl ZINC000498023542 514728581 /nfs/dbraw/zinc/72/85/81/514728581.db2.gz UGJMFDPNIBZKSV-UHFFFAOYSA-N -1 3 359.798 2.798 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c1 ZINC000461792587 514740398 /nfs/dbraw/zinc/74/03/98/514740398.db2.gz WRKLZIDHHAIPDY-AWEZNQCLSA-N -1 3 356.875 2.679 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1cc(F)ccc1F ZINC000489442948 514848959 /nfs/dbraw/zinc/84/89/59/514848959.db2.gz HJSSMHFCMSXFQF-MRXNPFEDSA-N -1 3 351.378 2.970 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(=O)[nH]1 ZINC000480195345 514874866 /nfs/dbraw/zinc/87/48/66/514874866.db2.gz BYMKVWATCZSGPS-UHFFFAOYSA-N -1 3 368.212 2.531 20 30 FFEDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476301987 514989740 /nfs/dbraw/zinc/98/97/40/514989740.db2.gz BZYHWESAYMAYRY-OAHLLOKOSA-N -1 3 364.854 2.748 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1Br ZINC000490026301 515071704 /nfs/dbraw/zinc/07/17/04/515071704.db2.gz POFCBEQSLIYAFU-UHFFFAOYSA-N -1 3 365.199 2.644 20 30 FFEDHM C=CC[C@H](CC)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000467689549 515081460 /nfs/dbraw/zinc/08/14/60/515081460.db2.gz VSXGNCQNWAGUGM-LBPRGKRZSA-N -1 3 368.480 2.904 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000503797679 515142978 /nfs/dbraw/zinc/14/29/78/515142978.db2.gz HXZBXWKNSNXXQK-CYBMUJFWSA-N -1 3 354.815 2.861 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000503824385 515146860 /nfs/dbraw/zinc/14/68/60/515146860.db2.gz IKKHPVFLLJULQW-CQSZACIVSA-N -1 3 354.815 2.861 20 30 FFEDHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481038503 515182511 /nfs/dbraw/zinc/18/25/11/515182511.db2.gz OEFBRXHFOLPHFB-QGZVFWFLSA-N -1 3 360.410 2.867 20 30 FFEDHM C=CCC1(CNC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCCC1 ZINC000456484569 515214322 /nfs/dbraw/zinc/21/43/22/515214322.db2.gz JSIIKXKPMVJSNE-AWEZNQCLSA-N -1 3 368.474 2.745 20 30 FFEDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000490536532 515241153 /nfs/dbraw/zinc/24/11/53/515241153.db2.gz SPGQMJDACWTUAN-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM CCc1cc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)ccc1[O-] ZINC000486129694 515346050 /nfs/dbraw/zinc/34/60/50/515346050.db2.gz OXUZVDMUBPPXJB-OAHLLOKOSA-N -1 3 370.405 2.975 20 30 FFEDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H]1C ZINC000481601789 515396883 /nfs/dbraw/zinc/39/68/83/515396883.db2.gz DSYDDZGWSBRQSH-AGIUHOORSA-N -1 3 351.428 2.817 20 30 FFEDHM Cc1cc(C)c(-c2cc(=NC(=O)N=c3ccn(CCC#N)[nH]3)[nH][n-]2)cc1C ZINC000459437824 515550730 /nfs/dbraw/zinc/55/07/30/515550730.db2.gz ZFSWMPJXCCRPBO-UHFFFAOYSA-N -1 3 363.425 2.600 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000486840885 515657377 /nfs/dbraw/zinc/65/73/77/515657377.db2.gz DYIQWXZGFHDGCB-UHFFFAOYSA-N -1 3 350.403 2.776 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493876285 515673760 /nfs/dbraw/zinc/67/37/60/515673760.db2.gz UURZVUNBUYFYNV-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000506071931 515769849 /nfs/dbraw/zinc/76/98/49/515769849.db2.gz OXISNOMPQFBZID-HXUWFJFHSA-N -1 3 372.428 2.551 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1 ZINC000473921822 515802747 /nfs/dbraw/zinc/80/27/47/515802747.db2.gz WROQPBIEQYUMRF-MRXNPFEDSA-N -1 3 371.453 2.625 20 30 FFEDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)O1 ZINC000494355267 515819305 /nfs/dbraw/zinc/81/93/05/515819305.db2.gz BVAWCHIUTVSCQU-LLVKDONJSA-N -1 3 362.373 2.813 20 30 FFEDHM N#CCc1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511345471 515871696 /nfs/dbraw/zinc/87/16/96/515871696.db2.gz ZHZCVHSGESVURX-UHFFFAOYSA-N -1 3 355.195 2.837 20 30 FFEDHM COc1ccc(Cn2cc(C([O-])=C(C#N)c3ccccn3)cn2)cc1OC ZINC000494856157 515985933 /nfs/dbraw/zinc/98/59/33/515985933.db2.gz JKQWBWITFBNMKO-INIZCTEOSA-N -1 3 362.389 2.834 20 30 FFEDHM CN(CC(C)(C)C#N)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000455251758 516074147 /nfs/dbraw/zinc/07/41/47/516074147.db2.gz TVHCNQIJIQYKQF-UHFFFAOYSA-N -1 3 350.220 2.532 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488414919 516220177 /nfs/dbraw/zinc/22/01/77/516220177.db2.gz FUOXZQCGVAVDAO-OCCSQVGLSA-N -1 3 372.874 2.582 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC000460938019 516285719 /nfs/dbraw/zinc/28/57/19/516285719.db2.gz SNSHRYMAODEFLK-NVXWUHKLSA-N -1 3 351.468 2.534 20 30 FFEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C2CC2)cn1 ZINC000528590206 516551911 /nfs/dbraw/zinc/55/19/11/516551911.db2.gz JASMGRKSEGRELC-KRWDZBQOSA-N -1 3 361.398 2.531 20 30 FFEDHM C=CCOc1ccccc1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000518163931 516564821 /nfs/dbraw/zinc/56/48/21/516564821.db2.gz QNSSERMZUIBLFH-FQEVSTJZSA-N -1 3 365.389 2.558 20 30 FFEDHM CCCCOc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1OC ZINC000561483578 516611367 /nfs/dbraw/zinc/61/13/67/516611367.db2.gz XFJIDLOFIZTMPV-UHFFFAOYSA-N -1 3 364.423 2.817 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000561558481 516652597 /nfs/dbraw/zinc/65/25/97/516652597.db2.gz WERVZKXVWVWSEQ-JDNHERCYSA-N -1 3 350.346 2.637 20 30 FFEDHM N#Cc1ccc(C2(NCc3cc(=O)[n-]c(C4CC4)n3)CCOCC2)cc1 ZINC000528786202 516697796 /nfs/dbraw/zinc/69/77/96/516697796.db2.gz WQWWPRWJZZAJIO-UHFFFAOYSA-N -1 3 350.422 2.727 20 30 FFEDHM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccccc2CC#N)c1F ZINC000558593596 516826467 /nfs/dbraw/zinc/82/64/67/516826467.db2.gz RUWWYNYKRACUQE-UHFFFAOYSA-N -1 3 366.345 2.618 20 30 FFEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccc(C#N)c1 ZINC000562177602 516945258 /nfs/dbraw/zinc/94/52/58/516945258.db2.gz NSWOXOVOLMYKET-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)c(Cl)cc2Cl)cc1 ZINC000555530685 516957577 /nfs/dbraw/zinc/95/75/77/516957577.db2.gz RJJMNHNVKITHJZ-UHFFFAOYSA-N -1 3 370.217 2.765 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000562239536 516975461 /nfs/dbraw/zinc/97/54/61/516975461.db2.gz DQMDWGORAWJRHG-MEDUHNTESA-N -1 3 372.874 2.724 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000537183693 517072535 /nfs/dbraw/zinc/07/25/35/517072535.db2.gz MFQUFVCNCNCUNT-APPDUMDISA-N -1 3 366.389 2.891 20 30 FFEDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000541870666 517264629 /nfs/dbraw/zinc/26/46/29/517264629.db2.gz PLIAGPLMVGTDMM-UHFFFAOYSA-N -1 3 370.446 2.878 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000526932045 517394381 /nfs/dbraw/zinc/39/43/81/517394381.db2.gz DAFBRYRPJPWZMQ-UHFFFAOYSA-N -1 3 364.492 2.631 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000552896338 517433689 /nfs/dbraw/zinc/43/36/89/517433689.db2.gz IAVRVIMROLZZTP-VIFPVBQESA-N -1 3 357.781 2.822 20 30 FFEDHM CC(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1[O-] ZINC000530061586 517532399 /nfs/dbraw/zinc/53/23/99/517532399.db2.gz VWLCGIFGQVQXTJ-UHFFFAOYSA-N -1 3 364.401 2.902 20 30 FFEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cncnc3)s2)cc1 ZINC000546152635 517569862 /nfs/dbraw/zinc/56/98/62/517569862.db2.gz FEYKSBXBAWNEOT-UHFFFAOYSA-N -1 3 354.420 2.744 20 30 FFEDHM C[C@H](CC#N)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000542504089 517599791 /nfs/dbraw/zinc/59/97/91/517599791.db2.gz MNPLAXPXSHUBAU-SECBINFHSA-N -1 3 353.300 2.801 20 30 FFEDHM CN(CCOCc1ccc(C#N)cc1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000521107456 517616527 /nfs/dbraw/zinc/61/65/27/517616527.db2.gz SEWFTNSFYGLINU-UHFFFAOYSA-N -1 3 354.435 2.917 20 30 FFEDHM C=C(C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000516317562 517660054 /nfs/dbraw/zinc/66/00/54/517660054.db2.gz VLHNISNMJZKBRQ-UHFFFAOYSA-N -1 3 365.430 2.993 20 30 FFEDHM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000549720990 517672161 /nfs/dbraw/zinc/67/21/61/517672161.db2.gz CZTDMXCMUOWLSS-UHFFFAOYSA-N -1 3 351.472 2.850 20 30 FFEDHM C=CCOc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000521259161 517672427 /nfs/dbraw/zinc/67/24/27/517672427.db2.gz KUCSPJRCDNMHKL-UHFFFAOYSA-N -1 3 360.435 2.553 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000542819722 517764406 /nfs/dbraw/zinc/76/44/06/517764406.db2.gz KVKARZGCPSIJSR-CYBMUJFWSA-N -1 3 352.268 2.991 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](NCc2ccccc2)c2ccco2)o1 ZINC000553559415 517782803 /nfs/dbraw/zinc/78/28/03/517782803.db2.gz FLUWVZYWQLASKA-MRXNPFEDSA-N -1 3 371.418 2.554 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC000516770284 517837776 /nfs/dbraw/zinc/83/77/76/517837776.db2.gz DAQXYVFRORVXFS-LJQANCHMSA-N -1 3 356.447 2.648 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000553772575 517894957 /nfs/dbraw/zinc/89/49/57/517894957.db2.gz ASMPRWUXOXBHKN-UHFFFAOYSA-N -1 3 355.257 2.788 20 30 FFEDHM CCC[C@@]1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCOC1 ZINC000553883196 517949333 /nfs/dbraw/zinc/94/93/33/517949333.db2.gz YSGJULKTZZMQJB-CQSZACIVSA-N -1 3 373.272 2.558 20 30 FFEDHM CC[C@@H](C)n1[nH]c(=NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000539414506 518036918 /nfs/dbraw/zinc/03/69/18/518036918.db2.gz YJKNBVJAONUJSP-LLVKDONJSA-N -1 3 355.442 2.745 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000581579815 518354213 /nfs/dbraw/zinc/35/42/13/518354213.db2.gz RERDZPGORODYKV-SNVBAGLBSA-N -1 3 365.282 2.743 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000578791469 518374151 /nfs/dbraw/zinc/37/41/51/518374151.db2.gz HJQQXKZXNKLGKE-NSHDSACASA-N -1 3 361.370 2.905 20 30 FFEDHM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000576044553 518402245 /nfs/dbraw/zinc/40/22/45/518402245.db2.gz XFEAVMCKGJSDTC-ZDUSSCGKSA-N -1 3 351.472 2.896 20 30 FFEDHM CC[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)s2)OCCc2ccccc21 ZINC000564353712 518413725 /nfs/dbraw/zinc/41/37/25/518413725.db2.gz BPUVXNXCPCUHIR-QGZVFWFLSA-N -1 3 362.476 2.776 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)s1 ZINC000578874358 518415602 /nfs/dbraw/zinc/41/56/02/518415602.db2.gz BCOHVYOWYAHODE-UHFFFAOYSA-N -1 3 360.420 2.512 20 30 FFEDHM N#Cc1ccnc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000570149661 518464373 /nfs/dbraw/zinc/46/43/73/518464373.db2.gz PSYVQNSRXQRCKI-UHFFFAOYSA-N -1 3 371.249 2.650 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)Cc3ccc(CC#N)cc3)CCCCC2)no1 ZINC000573115078 518514539 /nfs/dbraw/zinc/51/45/39/518514539.db2.gz IHCCKNNPTAIOTD-UHFFFAOYSA-N -1 3 374.466 2.723 20 30 FFEDHM C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000573154762 518530654 /nfs/dbraw/zinc/53/06/54/518530654.db2.gz OLYGYZGEIVWPDC-GJZGRUSLSA-N -1 3 373.478 2.586 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(CC#N)cc1)c1nc(C2CC2)no1 ZINC000567770120 518700725 /nfs/dbraw/zinc/70/07/25/518700725.db2.gz YZDKFHDRDFBLFI-MRXNPFEDSA-N -1 3 374.466 2.830 20 30 FFEDHM N#CCCC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000567901657 518776666 /nfs/dbraw/zinc/77/66/66/518776666.db2.gz QQGTVHRVBLMIJO-QGZVFWFLSA-N -1 3 355.438 2.539 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000576856324 518798237 /nfs/dbraw/zinc/79/82/37/518798237.db2.gz DVZYXVVABYMNSB-ZDUSSCGKSA-N -1 3 356.856 2.939 20 30 FFEDHM N#Cc1ccccc1Oc1ccccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000588875678 518855385 /nfs/dbraw/zinc/85/53/85/518855385.db2.gz BHFDORSEUJWOLC-UHFFFAOYSA-N -1 3 362.389 2.736 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3ccc(C(N)=O)cc3F)on2)c1 ZINC000582944199 518996894 /nfs/dbraw/zinc/99/68/94/518996894.db2.gz PKODGTUWOQOWCH-UHFFFAOYSA-N -1 3 350.309 2.704 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)OCCc2sccc21 ZINC000565569184 519022509 /nfs/dbraw/zinc/02/25/09/519022509.db2.gz VKSUHTADBJAGPV-INIZCTEOSA-N -1 3 368.524 2.929 20 30 FFEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCC[C@@]3(CCCCO3)[C@@H]1C#N)c2=O ZINC000566404734 519473686 /nfs/dbraw/zinc/47/36/86/519473686.db2.gz VMOWBWRIIVCUEY-UWJYYQICSA-N -1 3 365.433 2.904 20 30 FFEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCC[C@]3(CCCCO3)[C@H]1C#N)c2=O ZINC000566404725 519473791 /nfs/dbraw/zinc/47/37/91/519473791.db2.gz VMOWBWRIIVCUEY-DYESRHJHSA-N -1 3 365.433 2.904 20 30 FFEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCc4cc(C#N)ccc43)cn21 ZINC000591328312 519592643 /nfs/dbraw/zinc/59/26/43/519592643.db2.gz OPEIVIDGQOKZSJ-WBMJQRKESA-N -1 3 356.451 2.618 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000569545549 519602639 /nfs/dbraw/zinc/60/26/39/519602639.db2.gz JURHBAISNWSDBY-MNOVXSKESA-N -1 3 355.765 2.981 20 30 FFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000594483947 519991981 /nfs/dbraw/zinc/99/19/81/519991981.db2.gz GOQBFOPOWVPOLE-GFCCVEGCSA-N -1 3 358.485 2.512 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594486450 519996246 /nfs/dbraw/zinc/99/62/46/519996246.db2.gz GBMCGEZNTIBPIO-JSGCOSHPSA-N -1 3 362.373 2.645 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCC(F)(F)CC1 ZINC000594489278 519998810 /nfs/dbraw/zinc/99/88/10/519998810.db2.gz YGKQLQKZURGCQV-JTQLQIEISA-N -1 3 373.381 2.959 20 30 FFEDHM N#Cc1ccc2c(c1)CN(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C2 ZINC000603045440 520044560 /nfs/dbraw/zinc/04/45/60/520044560.db2.gz SWXJAFKPLDWNFQ-UHFFFAOYSA-N -1 3 369.734 2.940 20 30 FFEDHM Cn1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c2ccccc21 ZINC000612687662 520091177 /nfs/dbraw/zinc/09/11/77/520091177.db2.gz ZABYLEICBCVXPD-UHFFFAOYSA-N -1 3 360.826 2.577 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nc2ccccc12 ZINC000608835391 520139485 /nfs/dbraw/zinc/13/94/85/520139485.db2.gz ZAFPLDBILZBFLZ-UHFFFAOYSA-N -1 3 372.837 2.942 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@H]1C ZINC000594776620 520150566 /nfs/dbraw/zinc/15/05/66/520150566.db2.gz HMCQJBXGBZGBIN-PIGZYNQJSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@@H]1C ZINC000594776619 520151265 /nfs/dbraw/zinc/15/12/65/520151265.db2.gz HMCQJBXGBZGBIN-GTNSWQLSSA-N -1 3 364.492 2.911 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCCC1 ZINC000594798195 520163037 /nfs/dbraw/zinc/16/30/37/520163037.db2.gz ZYRJBLAKOGCLDQ-UHFFFAOYSA-N -1 3 360.395 2.505 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)s1 ZINC000594839533 520182959 /nfs/dbraw/zinc/18/29/59/520182959.db2.gz HBSYIGYDQDVSGQ-UHFFFAOYSA-N -1 3 352.412 2.779 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000617034864 520295333 /nfs/dbraw/zinc/29/53/33/520295333.db2.gz FGUQHKFIAZOBBO-ZIAGYGMSSA-N -1 3 356.513 2.668 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C#N)c1Br)C(C)C ZINC000592353915 520346920 /nfs/dbraw/zinc/34/69/20/520346920.db2.gz QVNIGVDJUIVQOK-GFCCVEGCSA-N -1 3 361.261 2.733 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1Br ZINC000609593188 520369278 /nfs/dbraw/zinc/36/92/78/520369278.db2.gz QYXGJEUYTMQRHE-AWEZNQCLSA-N -1 3 356.183 2.715 20 30 FFEDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000595356353 520426908 /nfs/dbraw/zinc/42/69/08/520426908.db2.gz YNYXLLHMXOLKTJ-MSOLQXFVSA-N -1 3 362.426 2.734 20 30 FFEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000609989107 520498248 /nfs/dbraw/zinc/49/82/48/520498248.db2.gz ALVQGNFQTREDDB-GOSISDBHSA-N -1 3 361.405 2.544 20 30 FFEDHM COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(C#N)cc3F)c2c1 ZINC000610512903 520722337 /nfs/dbraw/zinc/72/23/37/520722337.db2.gz JWANLFDFPQCJOA-UHFFFAOYSA-N -1 3 373.409 2.708 20 30 FFEDHM N#CCN1CCC([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000610576591 520747090 /nfs/dbraw/zinc/74/70/90/520747090.db2.gz YZVPXJJGQCDCJB-UHFFFAOYSA-N -1 3 369.899 2.821 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000598623623 520750302 /nfs/dbraw/zinc/75/03/02/520750302.db2.gz ZOOLBGVACWPLOS-VIFPVBQESA-N -1 3 365.199 2.644 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@](C)(C#N)C3)nc(=O)c2c1C ZINC000595837976 520757188 /nfs/dbraw/zinc/75/71/88/520757188.db2.gz ORJJWCVDSVTGNG-VOJFVSQTSA-N -1 3 374.466 2.766 20 30 FFEDHM CCc1nc(C(=O)[N-]c2sc3c(c2C#N)CCN(C(C)=O)C3)c(C)o1 ZINC000598891446 520905743 /nfs/dbraw/zinc/90/57/43/520905743.db2.gz PYDCUZYYXZJPPR-UHFFFAOYSA-N -1 3 358.423 2.636 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCN1Cc2ccccc2C1 ZINC000611016308 520947793 /nfs/dbraw/zinc/94/77/93/520947793.db2.gz WFYKUSZCZRDUMQ-UHFFFAOYSA-N -1 3 361.854 2.506 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCN1Cc2ccccc2C1 ZINC000611016309 520948401 /nfs/dbraw/zinc/94/84/01/520948401.db2.gz WNMSCPROJZZKAU-UHFFFAOYSA-N -1 3 361.854 2.506 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000611026339 520952273 /nfs/dbraw/zinc/95/22/73/520952273.db2.gz ZTKHANMJBGDTSF-CYBMUJFWSA-N -1 3 352.774 2.763 20 30 FFEDHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccsc2C#N)N2CCCC2)o1 ZINC000593539735 521062627 /nfs/dbraw/zinc/06/26/27/521062627.db2.gz GFDDDKPJIXWEEE-ZDUSSCGKSA-N -1 3 365.480 2.637 20 30 FFEDHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccsc2C#N)N2CCCC2)o1 ZINC000593539733 521062971 /nfs/dbraw/zinc/06/29/71/521062971.db2.gz GFDDDKPJIXWEEE-CYBMUJFWSA-N -1 3 365.480 2.637 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2F)C1 ZINC000593567216 521081096 /nfs/dbraw/zinc/08/10/96/521081096.db2.gz AWPDHNWLQVTMMD-LBPRGKRZSA-N -1 3 365.455 2.706 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593571694 521082949 /nfs/dbraw/zinc/08/29/49/521082949.db2.gz HQRCYNSIQOKCLB-BMIGLBTASA-N -1 3 354.428 2.813 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCOc2c(F)cccc21 ZINC000593573762 521085375 /nfs/dbraw/zinc/08/53/75/521085375.db2.gz TUQXTJRWEHTXHG-GFCCVEGCSA-N -1 3 352.412 2.951 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000599226396 521096705 /nfs/dbraw/zinc/09/67/05/521096705.db2.gz WSGIAKDEYARBON-UHFFFAOYSA-N -1 3 371.402 2.791 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1c2ccccc2CC12CCOCC2 ZINC000593596489 521099683 /nfs/dbraw/zinc/09/96/83/521099683.db2.gz CIUCGFBYKUALBY-KRWDZBQOSA-N -1 3 374.487 2.992 20 30 FFEDHM COc1ccc(C(C)(C)[N-]S(=O)(=O)c2ccsc2C#N)cc1F ZINC000599426568 521216080 /nfs/dbraw/zinc/21/60/80/521216080.db2.gz IQPRIHCRHXDZID-UHFFFAOYSA-N -1 3 354.428 2.981 20 30 FFEDHM COc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccc1[O-] ZINC000615441137 521405758 /nfs/dbraw/zinc/40/57/58/521405758.db2.gz DCPOGVMUAIZAEJ-KRWDZBQOSA-N -1 3 369.396 2.563 20 30 FFEDHM C=CCOc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1OC ZINC000636115146 522748559 /nfs/dbraw/zinc/74/85/59/522748559.db2.gz VXDCLSLXQHGPDP-UHFFFAOYSA-N -1 3 357.410 2.729 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320251 522911425 /nfs/dbraw/zinc/91/14/25/522911425.db2.gz KOSOAQRKHRROFJ-UHFFFAOYSA-N -1 3 369.421 2.953 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)c3ccc4n[n-]nc4c3)n2)c(Cl)c1 ZINC000542074122 562626444 /nfs/dbraw/zinc/62/64/44/562626444.db2.gz XZKHQPNVEOCNSZ-UHFFFAOYSA-N -1 3 363.768 2.921 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CC(CC)CC ZINC000735426297 598834103 /nfs/dbraw/zinc/83/41/03/598834103.db2.gz OZJHBVHPZCRJJD-UHFFFAOYSA-N -1 3 363.487 2.621 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CC(CC)CC ZINC000735426297 598834104 /nfs/dbraw/zinc/83/41/04/598834104.db2.gz OZJHBVHPZCRJJD-UHFFFAOYSA-N -1 3 363.487 2.621 20 30 FFEDHM C#CCSCCNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000735388315 598856689 /nfs/dbraw/zinc/85/66/89/598856689.db2.gz XYWJROJTZWLDHX-UHFFFAOYSA-N -1 3 363.450 2.754 20 30 FFEDHM C#CCSCCNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000735388315 598856690 /nfs/dbraw/zinc/85/66/90/598856690.db2.gz XYWJROJTZWLDHX-UHFFFAOYSA-N -1 3 363.450 2.754 20 30 FFEDHM N#Cc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)nc2ccccc12 ZINC000822823422 599049140 /nfs/dbraw/zinc/04/91/40/599049140.db2.gz PQEWLWITWWAFFD-UHFFFAOYSA-N -1 3 357.377 2.777 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(O)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203310 599157458 /nfs/dbraw/zinc/15/74/58/599157458.db2.gz SYMFFYSNIXFESO-BJMVGYQFSA-N -1 3 372.388 2.963 20 30 FFEDHM N#Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1-c1nnn[n-]1 ZINC000737715878 599196015 /nfs/dbraw/zinc/19/60/15/599196015.db2.gz GPNGIIFMVSJAFZ-CYBMUJFWSA-N -1 3 358.405 2.872 20 30 FFEDHM N#Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000737715878 599196017 /nfs/dbraw/zinc/19/60/17/599196017.db2.gz GPNGIIFMVSJAFZ-CYBMUJFWSA-N -1 3 358.405 2.872 20 30 FFEDHM N#Cc1ccc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000737719414 598238935 /nfs/dbraw/zinc/23/89/35/598238935.db2.gz ULARGCZJSQGOQN-UHFFFAOYSA-N -1 3 363.400 2.594 20 30 FFEDHM N#Cc1ccc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000737719414 598238937 /nfs/dbraw/zinc/23/89/37/598238937.db2.gz ULARGCZJSQGOQN-UHFFFAOYSA-N -1 3 363.400 2.594 20 30 FFEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000738359593 598316331 /nfs/dbraw/zinc/31/63/31/598316331.db2.gz KGUAOLKRGBEWNH-UHFFFAOYSA-N -1 3 367.247 2.833 20 30 FFEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000738359593 598316333 /nfs/dbraw/zinc/31/63/33/598316333.db2.gz KGUAOLKRGBEWNH-UHFFFAOYSA-N -1 3 367.247 2.833 20 30 FFEDHM Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(O)c1 ZINC000738396501 598316483 /nfs/dbraw/zinc/31/64/83/598316483.db2.gz IOZFCLMTNJUNGL-UHFFFAOYSA-N -1 3 364.287 2.743 20 30 FFEDHM C=CCCC(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735408806 598324980 /nfs/dbraw/zinc/32/49/80/598324980.db2.gz RMXGGGQMHKFOFN-UHFFFAOYSA-N -1 3 373.467 2.915 20 30 FFEDHM C=CCCC(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735408806 598324982 /nfs/dbraw/zinc/32/49/82/598324982.db2.gz RMXGGGQMHKFOFN-UHFFFAOYSA-N -1 3 373.467 2.915 20 30 FFEDHM C=CCOc1cccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)c1 ZINC000735437151 598379410 /nfs/dbraw/zinc/37/94/10/598379410.db2.gz YFZDGLQGYNSXHT-SFQUDFHCSA-N -1 3 373.372 2.776 20 30 FFEDHM C=CCOc1cccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)c1 ZINC000735437151 598379412 /nfs/dbraw/zinc/37/94/12/598379412.db2.gz YFZDGLQGYNSXHT-SFQUDFHCSA-N -1 3 373.372 2.776 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cn3)c2-c2nnn[n-]2)C1 ZINC000736280187 598436669 /nfs/dbraw/zinc/43/66/69/598436669.db2.gz OAFAVBHKMNGVBX-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)cn3)c2-c2nn[n-]n2)C1 ZINC000736280187 598436670 /nfs/dbraw/zinc/43/66/70/598436670.db2.gz OAFAVBHKMNGVBX-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000736167207 598491814 /nfs/dbraw/zinc/49/18/14/598491814.db2.gz CKRKXWANJAVGDU-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2ccccc2-c2nnn[n-]2)c1C#N ZINC000736674148 598517196 /nfs/dbraw/zinc/51/71/96/598517196.db2.gz AGYRGOHEUPIFAX-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2ccccc2-c2nn[n-]n2)c1C#N ZINC000736674148 598517198 /nfs/dbraw/zinc/51/71/98/598517198.db2.gz AGYRGOHEUPIFAX-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nccc1-c1ccncc1 ZINC000735426064 598566350 /nfs/dbraw/zinc/56/63/50/598566350.db2.gz JQXYMKPRZPWBMQ-UHFFFAOYSA-N -1 3 372.436 2.771 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000737676978 598591685 /nfs/dbraw/zinc/59/16/85/598591685.db2.gz YFCFDSMFNHBCNV-AWEZNQCLSA-N -1 3 372.310 2.880 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000737676978 598591687 /nfs/dbraw/zinc/59/16/87/598591687.db2.gz YFCFDSMFNHBCNV-AWEZNQCLSA-N -1 3 372.310 2.880 20 30 FFEDHM N#Cc1cc(F)ccc1CSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737704848 598698332 /nfs/dbraw/zinc/69/83/32/598698332.db2.gz KXMCPLRCCLQCPF-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1cc(F)ccc1CSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737704848 598698333 /nfs/dbraw/zinc/69/83/33/598698333.db2.gz KXMCPLRCCLQCPF-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM C#CCOc1cccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735387669 598699207 /nfs/dbraw/zinc/69/92/07/598699207.db2.gz DWLKPTMXTUJUFR-UHFFFAOYSA-N -1 3 350.378 2.727 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735436402 598705605 /nfs/dbraw/zinc/70/56/05/598705605.db2.gz KAYZLXTYOSUZOI-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735436402 598705606 /nfs/dbraw/zinc/70/56/06/598705606.db2.gz KAYZLXTYOSUZOI-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM Cc1cc(C(=O)N(C)[C@@H](C)CC#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227102 598753363 /nfs/dbraw/zinc/75/33/63/598753363.db2.gz IQLAJYPOSRJFAJ-LBPRGKRZSA-N -1 3 363.425 2.648 20 30 FFEDHM C#CCOc1ccccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819709890 599383292 /nfs/dbraw/zinc/38/32/92/599383292.db2.gz SQXKIQBRNOUPQG-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM C#CCOc1ccccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819709890 599383295 /nfs/dbraw/zinc/38/32/95/599383295.db2.gz SQXKIQBRNOUPQG-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)cc1F ZINC000737804940 599461997 /nfs/dbraw/zinc/46/19/97/599461997.db2.gz FDDRTUZNTGFSKE-HYXAFXHYSA-N -1 3 352.304 2.689 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)cc1F ZINC000737804940 599462000 /nfs/dbraw/zinc/46/20/00/599462000.db2.gz FDDRTUZNTGFSKE-HYXAFXHYSA-N -1 3 352.304 2.689 20 30 FFEDHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820340423 599470865 /nfs/dbraw/zinc/47/08/65/599470865.db2.gz KHJIWVRTWKSVON-CYBMUJFWSA-N -1 3 361.409 2.641 20 30 FFEDHM C[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820340423 599470869 /nfs/dbraw/zinc/47/08/69/599470869.db2.gz KHJIWVRTWKSVON-CYBMUJFWSA-N -1 3 361.409 2.641 20 30 FFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735689829 599568926 /nfs/dbraw/zinc/56/89/26/599568926.db2.gz CAVGDECKNNGDQF-QGZVFWFLSA-N -1 3 361.409 2.888 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2SCCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000822822788 599632235 /nfs/dbraw/zinc/63/22/35/599632235.db2.gz FIOPFRPBJYRAQF-MRXNPFEDSA-N -1 3 362.418 2.707 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2SCCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000822822788 599632236 /nfs/dbraw/zinc/63/22/36/599632236.db2.gz FIOPFRPBJYRAQF-MRXNPFEDSA-N -1 3 362.418 2.707 20 30 FFEDHM C=C(C)CN1CCC(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736094423 599954916 /nfs/dbraw/zinc/95/49/16/599954916.db2.gz FOBPVTRWAHYTET-UHFFFAOYSA-N -1 3 364.358 2.654 20 30 FFEDHM C#CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@H]1CCc2ccccc21 ZINC000819701369 607442363 /nfs/dbraw/zinc/44/23/63/607442363.db2.gz DYPQVIMZSPXZDA-IBGZPJMESA-N -1 3 369.432 2.637 20 30 FFEDHM C#CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)[C@H]1CCc2ccccc21 ZINC000819701369 607442364 /nfs/dbraw/zinc/44/23/64/607442364.db2.gz DYPQVIMZSPXZDA-IBGZPJMESA-N -1 3 369.432 2.637 20 30 FFEDHM CCN(CC)C(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737084634 600593702 /nfs/dbraw/zinc/59/37/02/600593702.db2.gz JQUPWERBUOFRJA-IBGZPJMESA-N -1 3 365.433 2.956 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)cc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016387 607460257 /nfs/dbraw/zinc/46/02/57/607460257.db2.gz ZPEWBZJJNAATRG-SREVYHEPSA-N -1 3 362.368 2.830 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)cc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016387 607460259 /nfs/dbraw/zinc/46/02/59/607460259.db2.gz ZPEWBZJJNAATRG-SREVYHEPSA-N -1 3 362.368 2.830 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000830518642 601385187 /nfs/dbraw/zinc/38/51/87/601385187.db2.gz GWHONVIBZGKXOG-JKSUJKDBSA-N -1 3 359.426 2.625 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000832875692 601934108 /nfs/dbraw/zinc/93/41/08/601934108.db2.gz CUNSGILFQZMDSS-OXQOHEQNSA-N -1 3 357.454 2.735 20 30 FFEDHM CN(C(=O)[O-])C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000737939130 602530405 /nfs/dbraw/zinc/53/04/05/602530405.db2.gz MCFTWZANVRGXEF-CYBMUJFWSA-N -1 3 372.450 2.547 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)CC1 ZINC000738485861 602679293 /nfs/dbraw/zinc/67/92/93/602679293.db2.gz VFMZAPMZAVEWGE-UHFFFAOYSA-N -1 3 362.430 2.947 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826180352 607645945 /nfs/dbraw/zinc/64/59/45/607645945.db2.gz DDWDLBIMOJIGFZ-DAXSKMNVSA-N -1 3 369.406 2.791 20 30 FFEDHM CC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC12CCCCC2 ZINC000833390287 605141633 /nfs/dbraw/zinc/14/16/33/605141633.db2.gz DSFPNRAPDVNXDL-SFHVURJKSA-N -1 3 355.438 2.551 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833941386 605948285 /nfs/dbraw/zinc/94/82/85/605948285.db2.gz ZSLOWJJMPNAYPE-CHWSQXEVSA-N -1 3 352.394 2.530 20 30 FFEDHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820937963 606127127 /nfs/dbraw/zinc/12/71/27/606127127.db2.gz FXAMYRSBBYTFFP-MRXNPFEDSA-N -1 3 362.393 2.843 20 30 FFEDHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820937963 606127128 /nfs/dbraw/zinc/12/71/28/606127128.db2.gz FXAMYRSBBYTFFP-MRXNPFEDSA-N -1 3 362.393 2.843 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccccc1C ZINC000819745545 606143194 /nfs/dbraw/zinc/14/31/94/606143194.db2.gz IPYDXJODSPJBJG-UHFFFAOYSA-N -1 3 369.450 2.552 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccccc1C ZINC000819745545 606143195 /nfs/dbraw/zinc/14/31/95/606143195.db2.gz IPYDXJODSPJBJG-UHFFFAOYSA-N -1 3 369.450 2.552 20 30 FFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ncc(C(C)(C)C)o1 ZINC000820554962 606170364 /nfs/dbraw/zinc/17/03/64/606170364.db2.gz CHJFNDSCXNUYRC-QMMMGPOBSA-N -1 3 370.442 2.854 20 30 FFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ncc(C(C)(C)C)o1 ZINC000820554962 606170365 /nfs/dbraw/zinc/17/03/65/606170365.db2.gz CHJFNDSCXNUYRC-QMMMGPOBSA-N -1 3 370.442 2.854 20 30 FFEDHM CCN(C[C@H](C)C#N)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000821170982 606175894 /nfs/dbraw/zinc/17/58/94/606175894.db2.gz YTRICRCFCVZMDJ-GFCCVEGCSA-N -1 3 360.425 2.962 20 30 FFEDHM CCN(C[C@H](C)C#N)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000821170982 606175895 /nfs/dbraw/zinc/17/58/95/606175895.db2.gz YTRICRCFCVZMDJ-GFCCVEGCSA-N -1 3 360.425 2.962 20 30 FFEDHM N#C[C@H](COC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000822802146 606183917 /nfs/dbraw/zinc/18/39/17/606183917.db2.gz WHROYTBLKYWBTK-QGZVFWFLSA-N -1 3 361.405 2.725 20 30 FFEDHM N#C[C@H](COC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000822802146 606183919 /nfs/dbraw/zinc/18/39/19/606183919.db2.gz WHROYTBLKYWBTK-QGZVFWFLSA-N -1 3 361.405 2.725 20 30 FFEDHM C=CCCCC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819733800 606236493 /nfs/dbraw/zinc/23/64/93/606236493.db2.gz BIVUEJXUNWCWPZ-SNVBAGLBSA-N -1 3 363.805 2.747 20 30 FFEDHM C=CCCCC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819733800 606236494 /nfs/dbraw/zinc/23/64/94/606236494.db2.gz BIVUEJXUNWCWPZ-SNVBAGLBSA-N -1 3 363.805 2.747 20 30 FFEDHM C=CCOc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819759082 606303047 /nfs/dbraw/zinc/30/30/47/606303047.db2.gz OFSGBEJSHHICNK-KRWDZBQOSA-N -1 3 365.393 2.758 20 30 FFEDHM C=CCOc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819759082 606303049 /nfs/dbraw/zinc/30/30/49/606303049.db2.gz OFSGBEJSHHICNK-KRWDZBQOSA-N -1 3 365.393 2.758 20 30 FFEDHM CN(C(=O)CCc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569801 606411898 /nfs/dbraw/zinc/41/18/98/606411898.db2.gz WMONBQNFDQLBMC-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM CN(C(=O)CCc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569801 606411900 /nfs/dbraw/zinc/41/19/00/606411900.db2.gz WMONBQNFDQLBMC-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822801131 606445369 /nfs/dbraw/zinc/44/53/69/606445369.db2.gz FBZCSMNTNDISMQ-ZWKOTPCHSA-N -1 3 358.405 2.779 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801131 606445371 /nfs/dbraw/zinc/44/53/71/606445371.db2.gz FBZCSMNTNDISMQ-ZWKOTPCHSA-N -1 3 358.405 2.779 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822801647 606448780 /nfs/dbraw/zinc/44/87/80/606448780.db2.gz LOVJIGSNGWZIJN-RTBURBONSA-N -1 3 372.432 2.708 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822801647 606448782 /nfs/dbraw/zinc/44/87/82/606448782.db2.gz LOVJIGSNGWZIJN-RTBURBONSA-N -1 3 372.432 2.708 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(-c2nn[nH]n2)cs1 ZINC000822801869 606462038 /nfs/dbraw/zinc/46/20/38/606462038.db2.gz PTTCSFFIQKORAP-VIFPVBQESA-N -1 3 372.797 2.543 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822800944 606544854 /nfs/dbraw/zinc/54/48/54/606544854.db2.gz BGCPUTRXUFEZAK-CABCVRRESA-N -1 3 364.434 2.840 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822800944 606544856 /nfs/dbraw/zinc/54/48/56/606544856.db2.gz BGCPUTRXUFEZAK-CABCVRRESA-N -1 3 364.434 2.840 20 30 FFEDHM COc1cc(C#N)ccc1OCCSc1cccc(-c2nnn[n-]2)c1 ZINC000821703125 607016005 /nfs/dbraw/zinc/01/60/05/607016005.db2.gz PSBJQVZAWMEGMM-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM COc1cc(C#N)ccc1OCCSc1cccc(-c2nn[n-]n2)c1 ZINC000821703125 607016007 /nfs/dbraw/zinc/01/60/07/607016007.db2.gz PSBJQVZAWMEGMM-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM CCNc1ccc(C#N)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821309985 607101127 /nfs/dbraw/zinc/10/11/27/607101127.db2.gz VUQUWNCVGREUCY-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM CCNc1ccc(C#N)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821309985 607101128 /nfs/dbraw/zinc/10/11/28/607101128.db2.gz VUQUWNCVGREUCY-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM Cc1c(C(=O)C=Cc2cncs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822014999 607122351 /nfs/dbraw/zinc/12/23/51/607122351.db2.gz BETQQCFBLIUCFE-SREVYHEPSA-N -1 3 363.406 2.713 20 30 FFEDHM S=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)Nc1ccccc1 ZINC000823732330 607146601 /nfs/dbraw/zinc/14/66/01/607146601.db2.gz LFVBXEURFHOBHE-UHFFFAOYSA-N -1 3 362.422 2.669 20 30 FFEDHM S=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)Nc1ccccc1 ZINC000823732330 607146603 /nfs/dbraw/zinc/14/66/03/607146603.db2.gz LFVBXEURFHOBHE-UHFFFAOYSA-N -1 3 362.422 2.669 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820543082 607191659 /nfs/dbraw/zinc/19/16/59/607191659.db2.gz UBQLWNXSUMXVIA-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820543082 607191660 /nfs/dbraw/zinc/19/16/60/607191660.db2.gz UBQLWNXSUMXVIA-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM CC(CCc1ccccc1[N+](=O)[O-])=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820254278 607251608 /nfs/dbraw/zinc/25/16/08/607251608.db2.gz OIWWFRYXWICUSK-UHFFFAOYSA-N -1 3 365.397 2.873 20 30 FFEDHM CC(CCc1ccccc1[N+](=O)[O-])=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820254278 607251609 /nfs/dbraw/zinc/25/16/09/607251609.db2.gz OIWWFRYXWICUSK-UHFFFAOYSA-N -1 3 365.397 2.873 20 30 FFEDHM N#CC(=C([O-])c1ccc(-c2nn[nH]n2)[nH]1)c1nc2cc(Cl)ccc2s1 ZINC000826379075 607776652 /nfs/dbraw/zinc/77/66/52/607776652.db2.gz IMYQPNTWDPNEQJ-MRVPVSSYSA-N -1 3 369.797 2.948 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825399489 607844582 /nfs/dbraw/zinc/84/45/82/607844582.db2.gz VOKUENQSBSGWNQ-JTQLQIEISA-N -1 3 364.862 2.620 20 30 FFEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825399489 607844583 /nfs/dbraw/zinc/84/45/83/607844583.db2.gz VOKUENQSBSGWNQ-JTQLQIEISA-N -1 3 364.862 2.620 20 30 FFEDHM C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937245 607872476 /nfs/dbraw/zinc/87/24/76/607872476.db2.gz OACJAKYYPUKSCR-MRXNPFEDSA-N -1 3 367.365 2.616 20 30 FFEDHM C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937245 607872477 /nfs/dbraw/zinc/87/24/77/607872477.db2.gz OACJAKYYPUKSCR-MRXNPFEDSA-N -1 3 367.365 2.616 20 30 FFEDHM Cc1ccc(C2N=NC(=S)N2N=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826273522 607882742 /nfs/dbraw/zinc/88/27/42/607882742.db2.gz IESHONWIKOTXLN-UHFFFAOYSA-N -1 3 362.422 2.605 20 30 FFEDHM Cc1ccc(C2N=NC(=S)N2N=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826273522 607882743 /nfs/dbraw/zinc/88/27/43/607882743.db2.gz IESHONWIKOTXLN-UHFFFAOYSA-N -1 3 362.422 2.605 20 30 FFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(C2CC2)nc2sccn12 ZINC000823861286 607889882 /nfs/dbraw/zinc/88/98/82/607889882.db2.gz CLNRWNFRMOGQCY-UHFFFAOYSA-N -1 3 364.438 2.577 20 30 FFEDHM C#CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838583 607940277 /nfs/dbraw/zinc/94/02/77/607940277.db2.gz RRSSALXMTKPBGI-GOSISDBHSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838583 607940278 /nfs/dbraw/zinc/94/02/78/607940278.db2.gz RRSSALXMTKPBGI-GOSISDBHSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823838784 607961440 /nfs/dbraw/zinc/96/14/40/607961440.db2.gz UQTATAPRSHODQU-HNNXBMFYSA-N -1 3 350.357 2.892 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823838784 607961441 /nfs/dbraw/zinc/96/14/41/607961441.db2.gz UQTATAPRSHODQU-HNNXBMFYSA-N -1 3 350.357 2.892 20 30 FFEDHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000826191142 608004793 /nfs/dbraw/zinc/00/47/93/608004793.db2.gz XZXIUBFKQSRSLY-LBPRGKRZSA-N -1 3 362.393 2.564 20 30 FFEDHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000826191142 608004794 /nfs/dbraw/zinc/00/47/94/608004794.db2.gz XZXIUBFKQSRSLY-LBPRGKRZSA-N -1 3 362.393 2.564 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1-c1nnn[n-]1 ZINC000826385689 608005159 /nfs/dbraw/zinc/00/51/59/608005159.db2.gz XCCAOVZXCNARQM-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1-c1nn[n-]n1 ZINC000826385689 608005160 /nfs/dbraw/zinc/00/51/60/608005160.db2.gz XCCAOVZXCNARQM-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1cc(NC(=O)CCCc2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC000826384286 608065004 /nfs/dbraw/zinc/06/50/04/608065004.db2.gz OVKSYMMRSQSHHL-UHFFFAOYSA-N -1 3 368.347 2.978 20 30 FFEDHM N#Cc1cc(NC(=O)CCCc2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC000826384286 608065005 /nfs/dbraw/zinc/06/50/05/608065005.db2.gz OVKSYMMRSQSHHL-UHFFFAOYSA-N -1 3 368.347 2.978 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823954060 608092286 /nfs/dbraw/zinc/09/22/86/608092286.db2.gz XEVLRLUZFLLOKD-MWLCHTKSSA-N -1 3 363.516 2.695 20 30 FFEDHM N#C[C@@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)Cc1cccs1 ZINC000826379176 608276426 /nfs/dbraw/zinc/27/64/26/608276426.db2.gz KZKPUOUKJQAFIK-WSROAFLRSA-N -1 3 365.418 2.867 20 30 FFEDHM N#C[C@@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)Cc1cccs1 ZINC000826379176 608276428 /nfs/dbraw/zinc/27/64/28/608276428.db2.gz KZKPUOUKJQAFIK-WSROAFLRSA-N -1 3 365.418 2.867 20 30 FFEDHM C=CCCOCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823899110 608326439 /nfs/dbraw/zinc/32/64/39/608326439.db2.gz LTOMJRHNPMIWTC-UHFFFAOYSA-N -1 3 363.421 2.743 20 30 FFEDHM C=CCCOCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823899110 608326441 /nfs/dbraw/zinc/32/64/41/608326441.db2.gz LTOMJRHNPMIWTC-UHFFFAOYSA-N -1 3 363.421 2.743 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826385379 608546798 /nfs/dbraw/zinc/54/67/98/608546798.db2.gz JNPBKJBYTHNBSZ-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826385379 608546799 /nfs/dbraw/zinc/54/67/99/608546799.db2.gz JNPBKJBYTHNBSZ-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM COCCc1nc(C)c(C(C)=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826163298 608882085 /nfs/dbraw/zinc/88/20/85/608882085.db2.gz OCXSHZSFWXTNOR-UHFFFAOYSA-N -1 3 357.443 2.657 20 30 FFEDHM COCCc1nc(C)c(C(C)=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826163298 608882087 /nfs/dbraw/zinc/88/20/87/608882087.db2.gz OCXSHZSFWXTNOR-UHFFFAOYSA-N -1 3 357.443 2.657 20 30 FFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826217417 609134210 /nfs/dbraw/zinc/13/42/10/609134210.db2.gz LJBVMYZDQVLHQH-HJWRWDBZSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826217417 609134211 /nfs/dbraw/zinc/13/42/11/609134211.db2.gz LJBVMYZDQVLHQH-HJWRWDBZSA-N -1 3 354.341 2.919 20 30 FFEDHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccn1 ZINC000825074382 609186353 /nfs/dbraw/zinc/18/63/53/609186353.db2.gz HLDRHLGBQWFQIJ-NSHDSACASA-N -1 3 363.381 2.563 20 30 FFEDHM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccn1 ZINC000825074382 609186354 /nfs/dbraw/zinc/18/63/54/609186354.db2.gz HLDRHLGBQWFQIJ-NSHDSACASA-N -1 3 363.381 2.563 20 30 FFEDHM Cn1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826360383 609304807 /nfs/dbraw/zinc/30/48/07/609304807.db2.gz INUXLAXPYWKNQA-UHFFFAOYSA-N -1 3 369.392 2.585 20 30 FFEDHM Cn1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826360383 609304809 /nfs/dbraw/zinc/30/48/09/609304809.db2.gz INUXLAXPYWKNQA-UHFFFAOYSA-N -1 3 369.392 2.585 20 30 FFEDHM Cc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1OC(F)F ZINC000826297850 609306061 /nfs/dbraw/zinc/30/60/61/609306061.db2.gz VFDWFNWLJCBYSC-UHFFFAOYSA-N -1 3 358.352 2.900 20 30 FFEDHM Cc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1OC(F)F ZINC000826297850 609306062 /nfs/dbraw/zinc/30/60/62/609306062.db2.gz VFDWFNWLJCBYSC-UHFFFAOYSA-N -1 3 358.352 2.900 20 30 FFEDHM Cn1cc(C=CC(=O)c2cscn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359939 609309535 /nfs/dbraw/zinc/30/95/35/609309535.db2.gz TUYOQOMEWJFSPZ-SREVYHEPSA-N -1 3 363.406 2.620 20 30 FFEDHM Cn1cc(C=CC(=O)c2cscn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359939 609309537 /nfs/dbraw/zinc/30/95/37/609309537.db2.gz TUYOQOMEWJFSPZ-SREVYHEPSA-N -1 3 363.406 2.620 20 30 FFEDHM N#CCc1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826382625 609413595 /nfs/dbraw/zinc/41/35/95/609413595.db2.gz NLZFJEGUMANBRP-SFHVURJKSA-N -1 3 373.420 2.540 20 30 FFEDHM N#CCc1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826382625 609413597 /nfs/dbraw/zinc/41/35/97/609413597.db2.gz NLZFJEGUMANBRP-SFHVURJKSA-N -1 3 373.420 2.540 20 30 FFEDHM CC(=O)Nc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824004642 609474512 /nfs/dbraw/zinc/47/45/12/609474512.db2.gz BCLCIWNUMKOSHN-UHFFFAOYSA-N -1 3 355.789 2.925 20 30 FFEDHM CC(=O)Nc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824004642 609474514 /nfs/dbraw/zinc/47/45/14/609474514.db2.gz BCLCIWNUMKOSHN-UHFFFAOYSA-N -1 3 355.789 2.925 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCO[C@@H](CC)C1 ZINC000823909831 609540033 /nfs/dbraw/zinc/54/00/33/609540033.db2.gz RKTDXTJMLZDGRY-IRXDYDNUSA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCO[C@@H](CC)C1 ZINC000823909831 609540034 /nfs/dbraw/zinc/54/00/34/609540034.db2.gz RKTDXTJMLZDGRY-IRXDYDNUSA-N -1 3 355.442 2.587 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1 ZINC000157843876 728878338 /nfs/dbraw/zinc/87/83/38/728878338.db2.gz OZMJOTXDENKJOG-UHFFFAOYSA-N -1 3 359.476 2.912 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CC)ccc1F ZINC000045263284 727999737 /nfs/dbraw/zinc/99/97/37/727999737.db2.gz RCBDIRJXGUEVIK-AWEZNQCLSA-N -1 3 354.447 2.695 20 30 FFEDHM [O-]c1ccc(Br)cc1C=NNC(=S)NCC(F)(F)F ZINC000746494557 735488111 /nfs/dbraw/zinc/48/81/11/735488111.db2.gz CKUITRCXCYZKSW-UHFFFAOYSA-N -1 3 356.167 2.515 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000078777353 728303528 /nfs/dbraw/zinc/30/35/28/728303528.db2.gz IUCQAKWNGIADIC-UHFFFAOYSA-N -1 3 358.829 2.503 20 30 FFEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000080386915 728326829 /nfs/dbraw/zinc/32/68/29/728326829.db2.gz DKQCFISLDCPWJM-ZDUSSCGKSA-N -1 3 356.419 2.607 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1F ZINC000103367428 728496395 /nfs/dbraw/zinc/49/63/95/728496395.db2.gz NZGMKBQDALQUFU-CHWSQXEVSA-N -1 3 354.447 2.693 20 30 FFEDHM C=CC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000110365809 728531474 /nfs/dbraw/zinc/53/14/74/728531474.db2.gz ASRUCRYHHGDBQP-UHFFFAOYSA-N -1 3 368.474 2.941 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(Br)c2)cc1 ZINC000193493860 729480893 /nfs/dbraw/zinc/48/08/93/729480893.db2.gz VXYNFGWPXKJOTE-AWEZNQCLSA-N -1 3 374.194 2.814 20 30 FFEDHM CC(=NNC1=NCC(=O)[N-]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000863174840 730753484 /nfs/dbraw/zinc/75/34/84/730753484.db2.gz FQGXRMOLYVSVHV-UHFFFAOYSA-N -1 3 352.238 2.524 20 30 FFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)CC2(OC)CCOCC2)c1 ZINC000650174721 730964713 /nfs/dbraw/zinc/96/47/13/730964713.db2.gz GVVFMWRZPLBSLH-UHFFFAOYSA-N -1 3 355.456 2.579 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1c(Br)cccc1OC ZINC000872003877 731716103 /nfs/dbraw/zinc/71/61/03/731716103.db2.gz AAXRQFRWKJUPRD-SNVBAGLBSA-N -1 3 361.261 2.569 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCOCC1 ZINC000657129443 731733520 /nfs/dbraw/zinc/73/35/20/731733520.db2.gz NQFMXSMNQNULTJ-UHFFFAOYSA-N -1 3 350.362 2.504 20 30 FFEDHM O=C([N-][C@H](C1CC1)C(F)(F)F)C(=O)Nc1cc(F)c(F)c(F)c1F ZINC000873884179 731977335 /nfs/dbraw/zinc/97/73/35/731977335.db2.gz DQKHAGUKOFWDMF-SNVBAGLBSA-N -1 3 358.213 2.639 20 30 FFEDHM O=C(Nc1ccc(OC2CCCC2)c(F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878819694 732599480 /nfs/dbraw/zinc/59/94/80/732599480.db2.gz AUKPGSPEMBRBQU-CQSZACIVSA-N -1 3 351.378 2.649 20 30 FFEDHM Cc1ccc(C(=O)NO)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000782171911 738694660 /nfs/dbraw/zinc/69/46/60/738694660.db2.gz RJAASCPFMZCHFC-UHFFFAOYSA-N -1 3 358.778 2.707 20 30 FFEDHM C=CCC1(O)CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000888593756 734075409 /nfs/dbraw/zinc/07/54/09/734075409.db2.gz JBTQABNJBBSTQJ-UHFFFAOYSA-N -1 3 369.259 2.767 20 30 FFEDHM C#CCC1(NC(=O)NCc2ccc([O-])c(Br)c2)CCOCC1 ZINC000888593925 734075654 /nfs/dbraw/zinc/07/56/54/734075654.db2.gz OYFGZDGKEWFWOJ-UHFFFAOYSA-N -1 3 367.243 2.526 20 30 FFEDHM COc1ccc(NC(=S)NN=Cc2cc(Cl)c([O-])c(OC)c2)cn1 ZINC000729641306 734588425 /nfs/dbraw/zinc/58/84/25/734588425.db2.gz WQOKAEQJDUZOLB-UHFFFAOYSA-N -1 3 366.830 2.778 20 30 FFEDHM CC(=NNC(=S)NCc1ccc2c(c1)OCO2)c1ccc([O-])cc1F ZINC000729932226 734604497 /nfs/dbraw/zinc/60/44/97/734604497.db2.gz IHBFXNIIAJPJGP-UHFFFAOYSA-N -1 3 361.398 2.648 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cccnc2)ccc1F ZINC000733438381 734820888 /nfs/dbraw/zinc/82/08/88/734820888.db2.gz ZOETWGPHEFJRSE-LBPRGKRZSA-N -1 3 364.398 2.603 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000734503060 734900748 /nfs/dbraw/zinc/90/07/48/734900748.db2.gz WNOHZAJETUSAOX-CQSZACIVSA-N -1 3 351.359 2.725 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccncc1 ZINC000751107450 735846043 /nfs/dbraw/zinc/84/60/43/735846043.db2.gz GSNMQQUMVCIMSD-LBPRGKRZSA-N -1 3 352.437 2.525 20 30 FFEDHM O=C(C[C@@H]1CCCS(=O)(=O)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180174 736230680 /nfs/dbraw/zinc/23/06/80/736230680.db2.gz IIMMGXBQROFZEN-JTQLQIEISA-N -1 3 366.266 2.926 20 30 FFEDHM CC(C)CC(=N[N-]S(=O)(=O)CCc1ccccc1)C1CCOCC1 ZINC000905451433 736342326 /nfs/dbraw/zinc/34/23/26/736342326.db2.gz RRZSYCVWWZXACC-UHFFFAOYSA-N -1 3 352.500 2.977 20 30 FFEDHM C#CCC(C)(C)COC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000760272402 736625850 /nfs/dbraw/zinc/62/58/50/736625850.db2.gz YGCQIORFTQTAER-UHFFFAOYSA-N -1 3 367.467 2.808 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cnn(CC2CCC2)c1 ZINC000908299335 736755143 /nfs/dbraw/zinc/75/51/43/736755143.db2.gz UQMDQWBWZKFHSA-LLVKDONJSA-N -1 3 350.469 2.656 20 30 FFEDHM C=CC(C)(C)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000908466890 736781145 /nfs/dbraw/zinc/78/11/45/736781145.db2.gz TXOOUZSWVSYLAJ-NRFANRHFSA-N -1 3 356.391 2.832 20 30 FFEDHM CC#CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000763900410 736977108 /nfs/dbraw/zinc/97/71/08/736977108.db2.gz ZPTFTLZNIIKTNK-UHFFFAOYSA-N -1 3 358.419 2.766 20 30 FFEDHM C=CCCC[C@@H](C)OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000765461119 737121349 /nfs/dbraw/zinc/12/13/49/737121349.db2.gz JRMVJAHZYSOPBU-SNVBAGLBSA-N -1 3 351.877 2.968 20 30 FFEDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)n1 ZINC000767317742 737314439 /nfs/dbraw/zinc/31/44/39/737314439.db2.gz YUXNXZNAMIMWTM-UHFFFAOYSA-N -1 3 363.414 2.748 20 30 FFEDHM CSCCNC(=S)NN=C(C)c1cc(Br)ccc1[O-] ZINC000769602778 737545264 /nfs/dbraw/zinc/54/52/64/737545264.db2.gz QICDCSCLECOYEZ-UHFFFAOYSA-N -1 3 362.318 2.706 20 30 FFEDHM CCC[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000914375068 737568382 /nfs/dbraw/zinc/56/83/82/737568382.db2.gz UWGBHIDVFRWJGC-ZDUSSCGKSA-N -1 3 358.485 2.550 20 30 FFEDHM Oc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000916321448 737696802 /nfs/dbraw/zinc/69/68/02/737696802.db2.gz ZQCWCNWIVJVMSN-OAHLLOKOSA-N -1 3 354.391 2.667 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CC[C@H]2CC)ccc1F ZINC000772446078 737813097 /nfs/dbraw/zinc/81/30/97/737813097.db2.gz ROOVZSLGVHXDEE-TZMCWYRMSA-N -1 3 354.447 2.693 20 30 FFEDHM O=C1Nc2c(cc([N+](=O)[O-])cc2F)C1=N[N-]c1ncnc2sccc21 ZINC000774346099 737982233 /nfs/dbraw/zinc/98/22/33/737982233.db2.gz BIEGHBFCJRGXRU-UHFFFAOYSA-N -1 3 358.314 2.507 20 30 FFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1ncnc2sccc21 ZINC000774346099 737982236 /nfs/dbraw/zinc/98/22/36/737982236.db2.gz BIEGHBFCJRGXRU-UHFFFAOYSA-N -1 3 358.314 2.507 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c1 ZINC000775284053 738078268 /nfs/dbraw/zinc/07/82/68/738078268.db2.gz GYYLGTDSPWBDTQ-UHFFFAOYSA-N -1 3 365.827 2.522 20 30 FFEDHM N#Cc1ccsc1NC(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787845834 739178576 /nfs/dbraw/zinc/17/85/76/739178576.db2.gz QLUDDLZYCPLILN-UHFFFAOYSA-N -1 3 362.382 2.969 20 30 FFEDHM CCOc1cccc(C=Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)c1O ZINC000794681247 739918952 /nfs/dbraw/zinc/91/89/52/739918952.db2.gz RPUGVNZWYQPTEX-UHFFFAOYSA-N -1 3 352.387 2.589 20 30 FFEDHM CN(CC/N=C/c1cc(Cl)ccc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000797785037 740272909 /nfs/dbraw/zinc/27/29/09/740272909.db2.gz RNRLDSQJVWXEQT-YBFXNURJSA-N -1 3 370.833 2.924 20 30 FFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000805017124 740926313 /nfs/dbraw/zinc/92/63/13/740926313.db2.gz AWNJSPJZOVSPLB-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000811809502 741561470 /nfs/dbraw/zinc/56/14/70/741561470.db2.gz GKECPCXEZCGZNQ-OAHLLOKOSA-N -1 3 353.765 2.720 20 30 FFEDHM [O-]c1c(C=NNC(=S)NCCc2ccccn2)ccc2ccccc21 ZINC000814827960 741868463 /nfs/dbraw/zinc/86/84/63/741868463.db2.gz HRXGWNQYVOQFHV-UHFFFAOYSA-N -1 3 350.447 2.981 20 30 FFEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cncnc2)cc1 ZINC000814829766 741868887 /nfs/dbraw/zinc/86/88/87/741868887.db2.gz JNOUASXXVSVZDD-UHFFFAOYSA-N -1 3 353.407 2.723 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000816696843 742054120 /nfs/dbraw/zinc/05/41/20/742054120.db2.gz JOJXCYIYSNJCEH-AWEZNQCLSA-N -1 3 353.403 2.683 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(CC)(CC)C2)ccc1F ZINC000818113781 742239805 /nfs/dbraw/zinc/23/98/05/742239805.db2.gz PZCRRYORWJMSSF-UHFFFAOYSA-N -1 3 354.447 2.552 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000820477064 742509578 /nfs/dbraw/zinc/50/95/78/742509578.db2.gz TURFEWNPPJRURF-ZDUSSCGKSA-N -1 3 359.451 2.528 20 30 FFEDHM N#CCSc1ccccc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825298145 743243785 /nfs/dbraw/zinc/24/37/85/743243785.db2.gz LKARNSHRWLBCND-UHFFFAOYSA-N -1 3 354.435 2.995 20 30 FFEDHM C[C@H](C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)N(C)CC(F)(F)F ZINC000845845925 748336027 /nfs/dbraw/zinc/33/60/27/748336027.db2.gz QMROZIIPPLWMMI-TZMCWYRMSA-N -1 3 352.356 2.879 20 30 FFEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)N(C)CC(F)(F)F ZINC000845845925 748336035 /nfs/dbraw/zinc/33/60/35/748336035.db2.gz QMROZIIPPLWMMI-TZMCWYRMSA-N -1 3 352.356 2.879 20 30 FFEDHM C[C@@H](C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)N(C)CC(F)(F)F ZINC000845845922 748336279 /nfs/dbraw/zinc/33/62/79/748336279.db2.gz QMROZIIPPLWMMI-GXTWGEPZSA-N -1 3 352.356 2.879 20 30 FFEDHM C[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)N(C)CC(F)(F)F ZINC000845845922 748336287 /nfs/dbraw/zinc/33/62/87/748336287.db2.gz QMROZIIPPLWMMI-GXTWGEPZSA-N -1 3 352.356 2.879 20 30 FFEDHM O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000848131231 748850491 /nfs/dbraw/zinc/85/04/91/748850491.db2.gz AVSNLLOFBSMVFE-JTQLQIEISA-N -1 3 367.616 2.522 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(-c3ccccn3)s2)ccc1-c1nnn[n-]1 ZINC000737708700 945114485 /nfs/dbraw/zinc/11/44/85/945114485.db2.gz IBTOSVYRZQTLOR-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(-c3ccccn3)s2)ccc1-c1nn[n-]n1 ZINC000737708700 945114495 /nfs/dbraw/zinc/11/44/95/945114495.db2.gz IBTOSVYRZQTLOR-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM C=C1CCC(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC001123278275 939820191 /nfs/dbraw/zinc/82/01/91/939820191.db2.gz UTRUDVRJPOBWPD-NRFANRHFSA-N -1 3 356.466 2.968 20 30 FFEDHM C#C[C@@H](Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21)[C@H]1CCCO1 ZINC001573279922 946650374 /nfs/dbraw/zinc/65/03/74/946650374.db2.gz LTVQTWSPKLKANG-CZUORRHYSA-N -1 3 373.420 2.569 20 30 FFEDHM C#C[C@@H](Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21)[C@H]1CCCO1 ZINC001573279922 946650379 /nfs/dbraw/zinc/65/03/79/946650379.db2.gz LTVQTWSPKLKANG-CZUORRHYSA-N -1 3 373.420 2.569 20 30 FFEDHM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccc(Cl)cc1 ZINC001573280800 946667552 /nfs/dbraw/zinc/66/75/52/946667552.db2.gz SAXUELKKHGJHJG-MRXNPFEDSA-N -1 3 351.797 2.933 20 30 FFEDHM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccc(Cl)cc1 ZINC001573280800 946667557 /nfs/dbraw/zinc/66/75/57/946667557.db2.gz SAXUELKKHGJHJG-MRXNPFEDSA-N -1 3 351.797 2.933 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573280788 946667867 /nfs/dbraw/zinc/66/78/67/946667867.db2.gz RWEVBHYGUSIRHU-OAHLLOKOSA-N -1 3 356.430 2.823 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573280788 946667874 /nfs/dbraw/zinc/66/78/74/946667874.db2.gz RWEVBHYGUSIRHU-OAHLLOKOSA-N -1 3 356.430 2.823 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC001573287643 946844304 /nfs/dbraw/zinc/84/43/04/946844304.db2.gz OUHRJAQVQRCDRX-LLVKDONJSA-N -1 3 353.407 2.572 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC001573287643 946844313 /nfs/dbraw/zinc/84/43/13/946844313.db2.gz OUHRJAQVQRCDRX-LLVKDONJSA-N -1 3 353.407 2.572 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573299192 947089285 /nfs/dbraw/zinc/08/92/85/947089285.db2.gz IJLPUYICUAVXBB-QWHCGFSZSA-N -1 3 358.421 2.763 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573299192 947089298 /nfs/dbraw/zinc/08/92/98/947089298.db2.gz IJLPUYICUAVXBB-QWHCGFSZSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCC1(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573333917 947445582 /nfs/dbraw/zinc/44/55/82/947445582.db2.gz HWDQVSIEVVHXSI-UHFFFAOYSA-N -1 3 355.442 2.888 20 30 FFEDHM C=CCCCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573335447 947477744 /nfs/dbraw/zinc/47/77/44/947477744.db2.gz ZVBZSZUXQPMYTK-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573335447 947477751 /nfs/dbraw/zinc/47/77/51/947477751.db2.gz ZVBZSZUXQPMYTK-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001573342142 947538645 /nfs/dbraw/zinc/53/86/45/947538645.db2.gz UMNHJGGSMGLTAB-UHFFFAOYSA-N -1 3 355.423 2.765 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(OC)c1 ZINC000826190441 947582727 /nfs/dbraw/zinc/58/27/27/947582727.db2.gz BJOPMXURXHWOCH-YVMONPNESA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(OC)c1 ZINC000826190441 947582733 /nfs/dbraw/zinc/58/27/33/947582733.db2.gz BJOPMXURXHWOCH-YVMONPNESA-N -1 3 354.341 2.919 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001573349163 947592723 /nfs/dbraw/zinc/59/27/23/947592723.db2.gz ZLQSFAXGTFCWOZ-ZIAGYGMSSA-N -1 3 364.457 2.794 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001573349163 947592735 /nfs/dbraw/zinc/59/27/35/947592735.db2.gz ZLQSFAXGTFCWOZ-ZIAGYGMSSA-N -1 3 364.457 2.794 20 30 FFEDHM CC(=O)[C@@](C#N)(CCSc1ccncc1-c1nnn[n-]1)c1ccccc1 ZINC001573363437 947713803 /nfs/dbraw/zinc/71/38/03/947713803.db2.gz CUOHQVAGMDAMRI-SFHVURJKSA-N -1 3 364.434 2.794 20 30 FFEDHM CC(=O)[C@@](C#N)(CCSc1ccncc1-c1nn[n-]n1)c1ccccc1 ZINC001573363437 947713808 /nfs/dbraw/zinc/71/38/08/947713808.db2.gz CUOHQVAGMDAMRI-SFHVURJKSA-N -1 3 364.434 2.794 20 30 FFEDHM N#Cc1cc(F)c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC000826384456 948185706 /nfs/dbraw/zinc/18/57/06/948185706.db2.gz WKEYEZXEEUSINF-MRXNPFEDSA-N -1 3 368.347 2.594 20 30 FFEDHM N#Cc1cc(F)c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC000826384456 948185712 /nfs/dbraw/zinc/18/57/12/948185712.db2.gz WKEYEZXEEUSINF-MRXNPFEDSA-N -1 3 368.347 2.594 20 30 FFEDHM N#Cc1ncn(Cc2ccc(-c3ccccc3C#N)cc2)c1-c1nnn[n-]1 ZINC000826387113 948189749 /nfs/dbraw/zinc/18/97/49/948189749.db2.gz GWMBEKCVVBKAOB-UHFFFAOYSA-N -1 3 352.361 2.522 20 30 FFEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001464731505 948530922 /nfs/dbraw/zinc/53/09/22/948530922.db2.gz NYJWHMMTDGABNE-LLVKDONJSA-N -1 3 367.862 2.639 20 30 FFEDHM C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001464731505 948530928 /nfs/dbraw/zinc/53/09/28/948530928.db2.gz NYJWHMMTDGABNE-LLVKDONJSA-N -1 3 367.862 2.639 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001573787829 949187478 /nfs/dbraw/zinc/18/74/78/949187478.db2.gz BMKCBTJBCPQXDU-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001573787829 949187487 /nfs/dbraw/zinc/18/74/87/949187487.db2.gz BMKCBTJBCPQXDU-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1cc(C#N)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788114 949190147 /nfs/dbraw/zinc/19/01/47/949190147.db2.gz GPDPCSRQISHKSA-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CC(C)(C(=O)Nc1cc(C#N)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788114 949190158 /nfs/dbraw/zinc/19/01/58/949190158.db2.gz GPDPCSRQISHKSA-UHFFFAOYSA-N -1 3 368.347 2.933 20 30 FFEDHM CN(CCOCc1ccc(C#N)cc1)CCOc1ccccc1C(=O)[O-] ZINC001593754080 954433933 /nfs/dbraw/zinc/43/39/33/954433933.db2.gz XLTCAGCPQNZOFO-UHFFFAOYSA-N -1 3 354.406 2.784 20 30 FFEDHM C#C[C@H]1CCCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000890649995 959878229 /nfs/dbraw/zinc/87/82/29/959878229.db2.gz JSALWKXMCMMWPK-AWEZNQCLSA-N -1 3 353.378 2.569 20 30 FFEDHM COc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000007673982 1013196970 /nfs/dbraw/zinc/19/69/70/1013196970.db2.gz WAUKHNYLOCBOHJ-UHFFFAOYSA-N -1 3 358.369 2.687 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000891339784 963295555 /nfs/dbraw/zinc/29/55/55/963295555.db2.gz OHIGQGKKXUKBML-DLBZAZTESA-N -1 3 371.481 2.874 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176858828 1013797193 /nfs/dbraw/zinc/79/71/93/1013797193.db2.gz NLUHHQLKJFNFAN-UHFFFAOYSA-N -1 3 364.405 2.631 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3ccccc3)nn2)cc1 ZINC000105262843 975791026 /nfs/dbraw/zinc/79/10/26/975791026.db2.gz XKGALDKDRQGEDK-GOSISDBHSA-N -1 3 373.416 2.850 20 30 FFEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000432775373 977446371 /nfs/dbraw/zinc/44/63/71/977446371.db2.gz HSHNUQZOLGAKAS-UHFFFAOYSA-N -1 3 374.466 2.861 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1n[nH]c2c1CCCC2 ZINC000128981537 980419265 /nfs/dbraw/zinc/41/92/65/980419265.db2.gz OQZOPLWKIDFBSH-ZDUSSCGKSA-N -1 3 352.394 2.648 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908885288 981564736 /nfs/dbraw/zinc/56/47/36/981564736.db2.gz WANWMYYPVSMVJZ-NXHRZFHOSA-N -1 3 359.470 2.931 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)C(=O)[O-] ZINC000908900926 981569410 /nfs/dbraw/zinc/56/94/10/981569410.db2.gz NXGKLWGOPZLKCU-ROUUACIJSA-N -1 3 359.470 2.851 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000909067401 981614618 /nfs/dbraw/zinc/61/46/18/981614618.db2.gz LRWIODKXASUMQS-RYQLBKOJSA-N -1 3 359.470 2.616 20 30 FFEDHM N#Cc1ccccc1N1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878030797 1014823460 /nfs/dbraw/zinc/82/34/60/1014823460.db2.gz IJUSOKZYWIGJBZ-UHFFFAOYSA-N -1 3 361.405 2.636 20 30 FFEDHM CN(Cc1ccccc1)c1ccccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878489834 1015067803 /nfs/dbraw/zinc/06/78/03/1015067803.db2.gz VVVVMMZZNOFMQD-QGZVFWFLSA-N -1 3 368.437 2.825 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)ccc1OC(C)C ZINC000138981803 985180695 /nfs/dbraw/zinc/18/06/95/985180695.db2.gz IWYJDFIZTPGMSO-AWEZNQCLSA-N -1 3 353.378 2.839 20 30 FFEDHM Cc1cc(C)cc(-c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)c1 ZINC000762060959 988094634 /nfs/dbraw/zinc/09/46/34/988094634.db2.gz WTTJTQPFEGRZAH-UHFFFAOYSA-N -1 3 368.418 2.592 20 30 FFEDHM N#Cc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000916321199 989777162 /nfs/dbraw/zinc/77/71/62/989777162.db2.gz UOBWGJSFLJJMQA-MRXNPFEDSA-N -1 3 363.402 2.833 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n[n-]2)o1 ZINC000919324824 990613907 /nfs/dbraw/zinc/61/39/07/990613907.db2.gz IPSBQUCPWUOJRY-XIKOKIGWSA-N -1 3 358.398 2.578 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[n-]n2)o1 ZINC000919324824 990613911 /nfs/dbraw/zinc/61/39/11/990613911.db2.gz IPSBQUCPWUOJRY-XIKOKIGWSA-N -1 3 358.398 2.578 20 30 FFEDHM NCc1nc(=O)[n-]n1-c1ccc(C#Cc2ccc(Br)cc2)cc1 ZINC001168761592 990687423 /nfs/dbraw/zinc/68/74/23/990687423.db2.gz UBVVEHLDBGKGAQ-UHFFFAOYSA-N -1 3 369.222 2.594 20 30 FFEDHM COc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c([N+](=O)[O-])c1 ZINC000921239432 991021344 /nfs/dbraw/zinc/02/13/44/991021344.db2.gz OBVFBALLJMPMGK-UHFFFAOYSA-N -1 3 371.349 2.731 20 30 FFEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC001593194229 994132368 /nfs/dbraw/zinc/13/23/68/994132368.db2.gz BRCXSVBPWIZVIJ-ACJLOTCBSA-N -1 3 365.389 2.991 20 30 FFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC001593196486 994154536 /nfs/dbraw/zinc/15/45/36/994154536.db2.gz UVIKNEFNWZDOBE-FZKQIMNGSA-N -1 3 365.389 2.991 20 30 FFEDHM COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187005 995052334 /nfs/dbraw/zinc/05/23/34/995052334.db2.gz GUTNENFYEYJKEJ-CHWSQXEVSA-N -1 3 368.389 2.695 20 30 FFEDHM N#Cc1cnc(NC(=O)Cc2ccc([O-])c(F)c2)c(Br)c1 ZINC001144616312 998684611 /nfs/dbraw/zinc/68/46/11/998684611.db2.gz IIIHWPQHSKTPPT-UHFFFAOYSA-N -1 3 350.147 2.742 20 30 FFEDHM COc1ccc(CC(=O)[N-]OCCCOc2ccc(C#N)cc2)cc1OC ZINC000732806443 998780549 /nfs/dbraw/zinc/78/05/49/998780549.db2.gz IUENAKRLUNDXDY-UHFFFAOYSA-N -1 3 370.405 2.635 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F ZINC000734120271 999203581 /nfs/dbraw/zinc/20/35/81/999203581.db2.gz UTGCWXSZNVTCSG-UHFFFAOYSA-N -1 3 373.409 2.933 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(C#N)cc1 ZINC000740212044 999664015 /nfs/dbraw/zinc/66/40/15/999664015.db2.gz GFZWAGRQBDHEEW-INIZCTEOSA-N -1 3 351.318 2.612 20 30 FFEDHM COC(=O)[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(C#N)cc1 ZINC000740212044 999664017 /nfs/dbraw/zinc/66/40/17/999664017.db2.gz GFZWAGRQBDHEEW-INIZCTEOSA-N -1 3 351.318 2.612 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000103031641 1000010404 /nfs/dbraw/zinc/01/04/04/1000010404.db2.gz NURXTCKVPFWSQG-UHFFFAOYSA-N -1 3 372.421 2.524 20 30 FFEDHM Cc1cccc2[nH]cc(C=N[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c21 ZINC000746492685 1000181548 /nfs/dbraw/zinc/18/15/48/1000181548.db2.gz VIDYMDCXUHDVHS-UHFFFAOYSA-N -1 3 372.406 2.838 20 30 FFEDHM C[C@H](c1ccccc1)N(C(=O)c1cc(=O)[n-]c(=O)[nH]1)C1=CC(=O)CCC1 ZINC001147696524 1000948825 /nfs/dbraw/zinc/94/88/25/1000948825.db2.gz WOXXAQUCUAAYFE-GFCCVEGCSA-N -1 3 353.378 2.728 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109771130 1000978379 /nfs/dbraw/zinc/97/83/79/1000978379.db2.gz OLVXCKTYMHNYGS-IKGGRYGDSA-N -1 3 370.497 2.883 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)ccc1N1CCCCC1 ZINC001148586752 1001175843 /nfs/dbraw/zinc/17/58/43/1001175843.db2.gz WSECPMYQMOBXOB-UHFFFAOYSA-N -1 3 353.378 2.918 20 30 FFEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001276191196 1016500557 /nfs/dbraw/zinc/50/05/57/1016500557.db2.gz FISHYLIZVTYYGY-AWEZNQCLSA-N -1 3 363.408 2.692 20 30 FFEDHM C=CCCC(=O)Nc1ccc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000774575638 1002179095 /nfs/dbraw/zinc/17/90/95/1002179095.db2.gz OIOGDDAYBDXVDF-UHFFFAOYSA-N -1 3 369.421 2.990 20 30 FFEDHM N#Cc1ccccc1OCCC[N-]C(=O)C(F)(F)OCC(F)(F)F ZINC001183197825 1002193917 /nfs/dbraw/zinc/19/39/17/1002193917.db2.gz QZSHVEDOUQRJJI-UHFFFAOYSA-N -1 3 352.259 2.615 20 30 FFEDHM CSc1cc(C)c(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)o1 ZINC001184283375 1002562020 /nfs/dbraw/zinc/56/20/20/1002562020.db2.gz HOYVKWWMVPAOPD-UHFFFAOYSA-N -1 3 374.418 2.828 20 30 FFEDHM CN(C)c1cccc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001184529052 1002636668 /nfs/dbraw/zinc/63/66/68/1002636668.db2.gz KUROIAMHOPIDHB-UHFFFAOYSA-N -1 3 368.315 2.612 20 30 FFEDHM N#Cc1cnc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC001184531951 1002636829 /nfs/dbraw/zinc/63/68/29/1002636829.db2.gz FGZQENJRTPSUPZ-UHFFFAOYSA-N -1 3 362.263 2.941 20 30 FFEDHM O=C([N-][C@H](CO)C(F)(F)F)[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001184540345 1002639962 /nfs/dbraw/zinc/63/99/62/1002639962.db2.gz DTYONDDZTBFKEY-KOLCDFICSA-N -1 3 372.240 2.992 20 30 FFEDHM CCOC(=O)[C@H](C#N)[N-]c1c(OC)cc(C(=O)OC(C)(C)C)cc1OC ZINC001170370893 1003128241 /nfs/dbraw/zinc/12/82/41/1003128241.db2.gz LRKNLCHVFWGKTL-LBPRGKRZSA-N -1 3 364.398 2.526 20 30 FFEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1ccc(CO)cc1 ZINC001186125105 1003181383 /nfs/dbraw/zinc/18/13/83/1003181383.db2.gz VZJVKOHACWVSLI-UHFFFAOYSA-N -1 3 354.284 2.643 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c(F)cc1[N+](=O)[O-] ZINC001186666768 1003375227 /nfs/dbraw/zinc/37/52/27/1003375227.db2.gz ROOALQLGNDLWPK-UHFFFAOYSA-N -1 3 367.333 2.532 20 30 FFEDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC001191556887 1003885423 /nfs/dbraw/zinc/88/54/23/1003885423.db2.gz WQUDBOSQTOZBGV-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM COc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)cc1OCC1CC1 ZINC001191640989 1003912374 /nfs/dbraw/zinc/91/23/74/1003912374.db2.gz BSCIBMAYEDNJFO-UHFFFAOYSA-N -1 3 355.394 2.923 20 30 FFEDHM CCOC(=O)C1=C([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)CCCC1 ZINC001196702059 1003918798 /nfs/dbraw/zinc/91/87/98/1003918798.db2.gz QGTNWMOQDBRRDB-UHFFFAOYSA-N -1 3 368.842 2.881 20 30 FFEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1ccc(CCO)cc1 ZINC001191782753 1003953458 /nfs/dbraw/zinc/95/34/58/1003953458.db2.gz DJMAYMOFDYQNBB-UHFFFAOYSA-N -1 3 368.311 2.686 20 30 FFEDHM C=C(CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000805250441 1004238255 /nfs/dbraw/zinc/23/82/55/1004238255.db2.gz CZBHZYUPIRZSMY-UHFFFAOYSA-N -1 3 374.437 2.710 20 30 FFEDHM CC(C)(C)OC(=O)NC1(c2ccc([N-]S(=O)(=O)CC#N)cc2)CCC1 ZINC001192980602 1004346738 /nfs/dbraw/zinc/34/67/38/1004346738.db2.gz NMGFFPWIXPMBOR-UHFFFAOYSA-N -1 3 365.455 2.856 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(=O)OCC ZINC001194187059 1004675523 /nfs/dbraw/zinc/67/55/23/1004675523.db2.gz PBZNQNHLQCXRAC-OAHLLOKOSA-N -1 3 359.875 2.700 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)c2ccc(C#CBr)cc2)[n-]n1 ZINC001194788169 1004809918 /nfs/dbraw/zinc/80/99/18/1004809918.db2.gz WTKNZPFJCLJEEN-UHFFFAOYSA-N -1 3 362.183 2.543 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)c2ccc(C#CBr)cc2)n[n-]1 ZINC001194788169 1004809919 /nfs/dbraw/zinc/80/99/19/1004809919.db2.gz WTKNZPFJCLJEEN-UHFFFAOYSA-N -1 3 362.183 2.543 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)[n-]c1=O ZINC001195140320 1004900933 /nfs/dbraw/zinc/90/09/33/1004900933.db2.gz IIRQGPCKPVWMEQ-AWEZNQCLSA-N -1 3 360.797 2.511 20 30 FFEDHM CCOC(Cc1c(Nc2cc(C#N)ccc2OC)nc[n-]c1=O)OCC ZINC001201580412 1005236057 /nfs/dbraw/zinc/23/60/57/1005236057.db2.gz PHMXJGVJBQWFJA-UHFFFAOYSA-N -1 3 358.398 2.748 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000776273010 1005338509 /nfs/dbraw/zinc/33/85/09/1005338509.db2.gz AKHCNQYHRBMRAD-SNVBAGLBSA-N -1 3 369.764 2.973 20 30 FFEDHM C[C@@H]1CCN(CCCOc2cccc(C#N)c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757298 1006171630 /nfs/dbraw/zinc/17/16/30/1006171630.db2.gz BQNNDGZWTPQRLP-CJNGLKHVSA-N -1 3 369.387 2.716 20 30 FFEDHM N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001187615963 1006172623 /nfs/dbraw/zinc/17/26/23/1006172623.db2.gz SLPLVQYLCOHJJP-UHFFFAOYSA-N -1 3 371.322 2.931 20 30 FFEDHM CN(C)c1cc(C#N)cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000814572918 1006350925 /nfs/dbraw/zinc/35/09/25/1006350925.db2.gz ISOBBQJZPWJULK-UHFFFAOYSA-N -1 3 364.361 2.737 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1Br ZINC001135842161 1007487484 /nfs/dbraw/zinc/48/74/84/1007487484.db2.gz GDLQUDDLNFSHRT-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM N#Cc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1Br ZINC001135842161 1007487487 /nfs/dbraw/zinc/48/74/87/1007487487.db2.gz GDLQUDDLNFSHRT-UHFFFAOYSA-N -1 3 369.182 2.753 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCN(c3nc4ccccc4c(C)c3C#N)CC2)n1 ZINC000884705474 1007513307 /nfs/dbraw/zinc/51/33/07/1007513307.db2.gz VYOGEUHCHFHCBZ-UHFFFAOYSA-N -1 3 360.421 2.546 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)c1 ZINC001190611323 1007719907 /nfs/dbraw/zinc/71/99/07/1007719907.db2.gz MZMXVRDADJMOMK-UHFFFAOYSA-N -1 3 356.325 2.777 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)c1 ZINC001190661732 1007722297 /nfs/dbraw/zinc/72/22/97/1007722297.db2.gz FFOGHMHWGNESRN-UHFFFAOYSA-N -1 3 352.362 2.584 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3c2cc(F)cc3F)c1 ZINC001190669212 1007725564 /nfs/dbraw/zinc/72/55/64/1007725564.db2.gz KJDXUSQIYQWDDG-OAHLLOKOSA-N -1 3 352.337 2.941 20 30 FFEDHM CC(=O)c1ccc(Nc2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000861828224 1009575379 /nfs/dbraw/zinc/57/53/79/1009575379.db2.gz PLGIUGPKDLZFQP-SFHVURJKSA-N -1 3 367.405 2.743 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(OC)n(C)n1 ZINC000773979738 1010397998 /nfs/dbraw/zinc/39/79/98/1010397998.db2.gz KEJJQKLIALGYIQ-AWEZNQCLSA-N -1 3 354.410 2.515 20 30 FFEDHM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccc2n[nH]cc2c1 ZINC000794909396 1010972398 /nfs/dbraw/zinc/97/23/98/1010972398.db2.gz RRTAZORJRCRPAY-UHFFFAOYSA-N -1 3 364.413 2.999 20 30 FFEDHM C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc(CC)ccc1[O-])CC2 ZINC001274786516 1011654578 /nfs/dbraw/zinc/65/45/78/1011654578.db2.gz KIJHYTIDIFXSKH-UHFFFAOYSA-N -1 3 356.466 2.985 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000780212363 1017608500 /nfs/dbraw/zinc/60/85/00/1017608500.db2.gz FSNYNNUIHCYECG-UHFFFAOYSA-N -1 3 372.425 2.524 20 30 FFEDHM C[C@@H]1Oc2ccccc2N(CCC(=O)N([O-])Cc2ccc(F)cc2)C1=O ZINC000901376279 1019018411 /nfs/dbraw/zinc/01/84/11/1019018411.db2.gz SCGCJYUTAHERLG-ZDUSSCGKSA-N -1 3 358.369 2.748 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc(C2CCCC2)no1 ZINC000751642779 1022887207 /nfs/dbraw/zinc/88/72/07/1022887207.db2.gz GLQNVAAWBXKYRR-UHFFFAOYSA-N -1 3 370.409 2.992 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ncc(Cl)c(C)c3C#N)C2)n1 ZINC001120870638 1023503191 /nfs/dbraw/zinc/50/31/91/1023503191.db2.gz CPLCTNNQTMUIQS-LBPRGKRZSA-N -1 3 358.833 2.800 20 30 FFEDHM Cn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC(CC#N)CC1 ZINC001121378734 1023738931 /nfs/dbraw/zinc/73/89/31/1023738931.db2.gz BTIDVKWHKVEFLV-UHFFFAOYSA-N -1 3 363.425 2.503 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)CCc1ccccc1 ZINC000837391380 1025772205 /nfs/dbraw/zinc/77/22/05/1025772205.db2.gz PCFKKKKGWAVGQC-UHFFFAOYSA-N -1 3 366.417 2.953 20 30 FFEDHM C#C[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Br)cc1 ZINC001141460622 1026347763 /nfs/dbraw/zinc/34/77/63/1026347763.db2.gz BNHDJDMHMQMTIQ-HNNXBMFYSA-N -1 3 374.238 2.595 20 30 FFEDHM CC[C@](C/N=C\c1c([O-])c(C)ncc1CO)(C(=O)OC)c1ccccc1 ZINC000840711689 1027225592 /nfs/dbraw/zinc/22/55/92/1027225592.db2.gz BOAWJSOYEATQCN-PBMUUGLVSA-N -1 3 356.422 2.528 20 30 FFEDHM C=CCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC001154790247 1028454502 /nfs/dbraw/zinc/45/45/02/1028454502.db2.gz RRUCYHCEYNXYOA-UHFFFAOYSA-N -1 3 355.394 2.563 20 30 FFEDHM COC(=O)c1cc2c(OC)[n-]c(NC3(C#N)Cc4ccccc4C3)cc-2n1 ZINC001163003528 1028753866 /nfs/dbraw/zinc/75/38/66/1028753866.db2.gz ANWIIVODQOCLCW-UHFFFAOYSA-N -1 3 362.389 2.831 20 30 FFEDHM COC(=O)c1cc2c(cc(Cl)nc2N=C(NC#N)c2ccncc2)[n-]1 ZINC001156326859 1029146756 /nfs/dbraw/zinc/14/67/56/1029146756.db2.gz WLMHROQDGGLBGG-UHFFFAOYSA-N -1 3 354.757 2.547 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC001142296329 1030281937 /nfs/dbraw/zinc/28/19/37/1030281937.db2.gz MQJZCVOFOSLFQU-LJQANCHMSA-N -1 3 371.481 2.872 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Oc2nccc(/C=N/[O-])n2)CC1 ZINC001226253931 1034595550 /nfs/dbraw/zinc/59/55/50/1034595550.db2.gz OLUDDMHLCLXSPQ-MQMKENTISA-N -1 3 362.430 2.843 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1cc(C#N)ccc1[O-])CCO2 ZINC001227346119 1035513392 /nfs/dbraw/zinc/51/33/92/1035513392.db2.gz RRTMXAUWNQRXDP-CQSZACIVSA-N -1 3 360.410 2.811 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695680 1036264699 /nfs/dbraw/zinc/26/46/99/1036264699.db2.gz OYHXHOPANPYBMY-AWEZNQCLSA-N -1 3 357.414 2.811 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695680 1036264716 /nfs/dbraw/zinc/26/47/16/1036264716.db2.gz OYHXHOPANPYBMY-AWEZNQCLSA-N -1 3 357.414 2.811 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228859725 1036363961 /nfs/dbraw/zinc/36/39/61/1036363961.db2.gz ZODZTJVIFNMXTK-YVEFUNNKSA-N -1 3 358.394 2.659 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2cccc([O-])c2Br)[C@H]2OC(C)(C)O[C@@H]12 ZINC001229140328 1036518740 /nfs/dbraw/zinc/51/87/40/1036518740.db2.gz AOWYYPCSTFLQSK-HBEIAFGSSA-N -1 3 357.200 2.965 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1OC1CCN(c2ccnc(Cl)n2)CC1 ZINC001233801962 1036769886 /nfs/dbraw/zinc/76/98/86/1036769886.db2.gz FHVQOAXMYPHMDP-RGVLZGJSSA-N -1 3 362.817 2.995 20 30 FFEDHM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001277830009 1036909511 /nfs/dbraw/zinc/90/95/11/1036909511.db2.gz LHOMSNCCRMZMQQ-HUUCEWRRSA-N -1 3 353.249 2.898 20 30 FFEDHM N#Cc1ccnc(N2CCC(Oc3[n-]c(=O)nc4cccc(F)c43)CC2)c1 ZINC001231074943 1037458775 /nfs/dbraw/zinc/45/87/75/1037458775.db2.gz TYLXULFSTMLXJG-UHFFFAOYSA-N -1 3 365.368 2.789 20 30 FFEDHM C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3ccc(F)c([O-])c3F)C2)C1=O ZINC001277992133 1038168912 /nfs/dbraw/zinc/16/89/12/1038168912.db2.gz DLPHAZSIOGOAEB-IBGZPJMESA-N -1 3 364.392 2.588 20 30 FFEDHM COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(C#N)cc1OC ZINC001209461754 1038891167 /nfs/dbraw/zinc/89/11/67/1038891167.db2.gz LDENNEVWOPBNEA-UHFFFAOYSA-N -1 3 356.407 2.928 20 30 FFEDHM COc1nccc([N-]S(=O)(=O)c2ccccc2C#N)c1Br ZINC001258201845 1039265238 /nfs/dbraw/zinc/26/52/38/1039265238.db2.gz MZSOJPIRGXCWTH-UHFFFAOYSA-N -1 3 368.212 2.525 20 30 FFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)cc1 ZINC001251929000 1039360276 /nfs/dbraw/zinc/36/02/76/1039360276.db2.gz KSIMYZJMICGGQR-UHFFFAOYSA-N -1 3 357.435 2.968 20 30 FFEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259502519 1040068103 /nfs/dbraw/zinc/06/81/03/1040068103.db2.gz AEXJIEZWQSGBEW-ZDUSSCGKSA-N -1 3 365.373 2.526 20 30 FFEDHM N#Cc1ccccc1OCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259504256 1040070234 /nfs/dbraw/zinc/07/02/34/1040070234.db2.gz KQQUGIJMVBRAMH-UHFFFAOYSA-N -1 3 370.352 2.723 20 30 FFEDHM O=S(=O)([N-]CC#Cc1ccccc1)c1ccc(Br)cc1F ZINC001260381255 1040568526 /nfs/dbraw/zinc/56/85/26/1040568526.db2.gz SVPLSFVHUDWIFH-UHFFFAOYSA-N -1 3 368.227 2.918 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1F ZINC001213613697 1040720417 /nfs/dbraw/zinc/72/04/17/1040720417.db2.gz RLGIIVLWQUPGRL-UHFFFAOYSA-N -1 3 358.316 2.907 20 30 FFEDHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)nc1Br ZINC001254514522 1040761221 /nfs/dbraw/zinc/76/12/21/1040761221.db2.gz ZIRCQSHUMNZPSI-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM N#Cc1cnc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)s1 ZINC001261022301 1040944097 /nfs/dbraw/zinc/94/40/97/1040944097.db2.gz DEVDHJBGYXWCLB-UHFFFAOYSA-N -1 3 365.333 2.651 20 30 FFEDHM C=CC(C)(C)[N-]S(=O)(=O)c1ccc(I)s1 ZINC001213990520 1041142749 /nfs/dbraw/zinc/14/27/49/1041142749.db2.gz NYSSJDZUIKCWGA-UHFFFAOYSA-N -1 3 357.238 2.596 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001262957384 1041988662 /nfs/dbraw/zinc/98/86/62/1041988662.db2.gz ROMQHTHZDNZBPW-INIZCTEOSA-N -1 3 362.437 2.929 20 30 FFEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1ccc(C(=O)OC(C)(C)C)nc1 ZINC001263615726 1042402299 /nfs/dbraw/zinc/40/22/99/1042402299.db2.gz DOIZORNKYCYNDX-NSHDSACASA-N -1 3 360.801 2.914 20 30 FFEDHM Cn1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2ccc(Cl)c([O-])c2)cc1C#N ZINC001279313703 1042995843 /nfs/dbraw/zinc/99/58/43/1042995843.db2.gz MENWVNCRZAGPAG-CALCHBBNSA-N -1 3 356.857 2.714 20 30 FFEDHM C#CCCCN1CC2(C1)CC[C@H](C(=O)Nc1nc3c(cccc3[O-])s1)O2 ZINC001279750018 1043582756 /nfs/dbraw/zinc/58/27/56/1043582756.db2.gz QISLHVOQOLKUMO-CQSZACIVSA-N -1 3 371.462 2.587 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001311180741 1043835298 /nfs/dbraw/zinc/83/52/98/1043835298.db2.gz VFKPDVFWNKBJMP-UHFFFAOYSA-N -1 3 351.345 2.754 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001311180741 1043835315 /nfs/dbraw/zinc/83/53/15/1043835315.db2.gz VFKPDVFWNKBJMP-UHFFFAOYSA-N -1 3 351.345 2.754 20 30 FFEDHM C#Cc1ccc(NC(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1 ZINC001311302510 1043877660 /nfs/dbraw/zinc/87/76/60/1043877660.db2.gz HZHKSPHPUQLSLX-UHFFFAOYSA-N -1 3 361.398 2.500 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)C(=O)OCC ZINC001320265309 1045378481 /nfs/dbraw/zinc/37/84/81/1045378481.db2.gz HEXXCBLZYYSTSB-CYBMUJFWSA-N -1 3 365.373 2.633 20 30 FFEDHM COc1nc(Cl)c(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)n1C ZINC001333246319 1048780863 /nfs/dbraw/zinc/78/08/63/1048780863.db2.gz UQPOSNVFAXTUPZ-WAYWQWQTSA-N -1 3 352.774 2.701 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001339854145 1050271255 /nfs/dbraw/zinc/27/12/55/1050271255.db2.gz JONCNTWBUMIMTD-UHFFFAOYSA-N -1 3 366.347 2.634 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cncc(OCC(F)F)c2)c1 ZINC001341898464 1050500566 /nfs/dbraw/zinc/50/05/66/1050500566.db2.gz KLYOYLYUAPQNAO-HNNXBMFYSA-N -1 3 359.332 2.995 20 30 FFEDHM N#CC(=C([O-])c1cccc(C2OCCO2)c1)c1nc(N)c2ccccc2n1 ZINC001341903369 1050503482 /nfs/dbraw/zinc/50/34/82/1050503482.db2.gz LXTYCIONYDQDTO-HNNXBMFYSA-N -1 3 360.373 2.747 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC2(CCCCO2)CC1 ZINC001342088551 1050684271 /nfs/dbraw/zinc/68/42/71/1050684271.db2.gz PUPIDFJUZLVHTQ-UHFFFAOYSA-N -1 3 359.430 2.754 20 30 FFEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](CF)C1 ZINC001342196406 1050788246 /nfs/dbraw/zinc/78/82/46/1050788246.db2.gz RFGWFKXHOLDIGQ-LBPRGKRZSA-N -1 3 358.421 2.690 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001342383738 1050977268 /nfs/dbraw/zinc/97/72/68/1050977268.db2.gz GIQQCWBAMSMGMA-ZDUSSCGKSA-N -1 3 354.458 2.952 20 30 FFEDHM C#CCN1CCC[C@@H](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC001303559306 1051387334 /nfs/dbraw/zinc/38/73/34/1051387334.db2.gz YTUQMRKYLPPPJB-OAHLLOKOSA-N -1 3 373.453 2.567 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CCCC)CCOC ZINC001343287194 1052135803 /nfs/dbraw/zinc/13/58/03/1052135803.db2.gz INTQZIURRZTXKP-UHFFFAOYSA-N -1 3 360.462 2.578 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC[C@H](COC)C1 ZINC001343315324 1052156337 /nfs/dbraw/zinc/15/63/37/1052156337.db2.gz QDMZRLIMBVWHEE-LBPRGKRZSA-N -1 3 365.869 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC[C@H](COC)C1 ZINC001343315324 1052156339 /nfs/dbraw/zinc/15/63/39/1052156339.db2.gz QDMZRLIMBVWHEE-LBPRGKRZSA-N -1 3 365.869 2.546 20 30 FFEDHM O=C([C@H]1CCCN1C(=O)C(F)(F)F)N([O-])CCCCc1ccccc1 ZINC001306896492 1052214704 /nfs/dbraw/zinc/21/47/04/1052214704.db2.gz ZFDWGLBMVOVLTJ-CQSZACIVSA-N -1 3 358.360 2.780 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001345811497 1052623571 /nfs/dbraw/zinc/62/35/71/1052623571.db2.gz GXMKQBUSIBNFKN-MRUHUIDDSA-N -1 3 356.466 2.915 20 30 FFEDHM C=C[C@@H](CC(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001348175646 1054724207 /nfs/dbraw/zinc/72/42/07/1054724207.db2.gz GQUKTQZIWMEZFK-RDJZCZTQSA-N -1 3 352.438 2.545 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC001351723147 1054970287 /nfs/dbraw/zinc/97/02/87/1054970287.db2.gz OFXYGNIRVVZVGU-INIZCTEOSA-N -1 3 362.437 2.838 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001338886682 1055904400 /nfs/dbraw/zinc/90/44/00/1055904400.db2.gz YTMOFELIHXROPU-HNNXBMFYSA-N -1 3 371.372 2.542 20 30 FFEDHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(CCC#N)cc1)c1ccccc1 ZINC001353324651 1056296031 /nfs/dbraw/zinc/29/60/31/1056296031.db2.gz TVSZURMDBGPBFW-IBGZPJMESA-N -1 3 372.446 2.509 20 30 FFEDHM Cc1ccccc1COc1ccccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848138201 1059113328 /nfs/dbraw/zinc/11/33/28/1059113328.db2.gz OAHKHEJSJYHMGW-QGZVFWFLSA-N -1 3 354.406 2.684 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=Cc1nccs1 ZINC001515116019 1059346348 /nfs/dbraw/zinc/34/63/48/1059346348.db2.gz ZXYHFWXNEXCXOH-FYJFLYSWSA-N -1 3 371.418 2.870 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1nccs1 ZINC001515116019 1059346366 /nfs/dbraw/zinc/34/63/66/1059346366.db2.gz ZXYHFWXNEXCXOH-FYJFLYSWSA-N -1 3 371.418 2.870 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(Cc1cccs1)C1CC1 ZINC001520368408 1059643063 /nfs/dbraw/zinc/64/30/63/1059643063.db2.gz UVWKVWLUOFTFTA-UHFFFAOYSA-N -1 3 354.439 2.857 20 30 FFEDHM COC(=O)CCc1ccc([O-])c(NC(=O)c2ccc(C#N)cc2OC)c1 ZINC001455721052 1059892179 /nfs/dbraw/zinc/89/21/79/1059892179.db2.gz LUJFWJDKRLFQTP-UHFFFAOYSA-N -1 3 354.362 2.630 20 30 FFEDHM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(F)n1 ZINC001516711547 1060199233 /nfs/dbraw/zinc/19/92/33/1060199233.db2.gz WSDAOJSYDOVAIM-CQSZACIVSA-N -1 3 351.297 2.805 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCSC(C)(C)C1 ZINC001355974927 1060774520 /nfs/dbraw/zinc/77/45/20/1060774520.db2.gz CUIIUOCDMGRGRE-UHFFFAOYSA-N -1 3 353.883 2.625 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCSC(C)(C)C1 ZINC001355974927 1060774523 /nfs/dbraw/zinc/77/45/23/1060774523.db2.gz CUIIUOCDMGRGRE-UHFFFAOYSA-N -1 3 353.883 2.625 20 30 FFEDHM C#Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC001475101368 1060945813 /nfs/dbraw/zinc/94/58/13/1060945813.db2.gz IFYDHUBUUAIMMP-UHFFFAOYSA-N -1 3 366.236 2.615 20 30 FFEDHM C=CCCOCCCCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001527241765 1061442792 /nfs/dbraw/zinc/44/27/92/1061442792.db2.gz CHRWSMIYKJIZSB-AWEZNQCLSA-N -1 3 364.408 2.667 20 30 FFEDHM C=C(C)[C@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2)OCC ZINC001522231497 1061773057 /nfs/dbraw/zinc/77/30/57/1061773057.db2.gz FOZFWOTXSQVIFQ-NWGLXNPWSA-N -1 3 372.465 2.625 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(=O)OCC ZINC001463731515 1062231730 /nfs/dbraw/zinc/23/17/30/1062231730.db2.gz RMVAERASDCKEGY-HNNXBMFYSA-N -1 3 359.875 2.700 20 30 FFEDHM N#CCCCC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001530201658 1062512468 /nfs/dbraw/zinc/51/24/68/1062512468.db2.gz QSKDZCVEJVSKHD-UHFFFAOYSA-N -1 3 352.803 2.528 20 30 FFEDHM N#CCCCC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001530201658 1062512486 /nfs/dbraw/zinc/51/24/86/1062512486.db2.gz QSKDZCVEJVSKHD-UHFFFAOYSA-N -1 3 352.803 2.528 20 30 FFEDHM Cc1c(C(=O)[N-]c2ncc3c(c2C#N)COCC3)oc2c1C(=O)CCC2 ZINC001436894778 1062794284 /nfs/dbraw/zinc/79/42/84/1062794284.db2.gz LVBXVUDONMTHQB-UHFFFAOYSA-N -1 3 351.362 2.699 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC001532696581 1063150894 /nfs/dbraw/zinc/15/08/94/1063150894.db2.gz MEXMOSQHUJMAJG-CYBMUJFWSA-N -1 3 373.438 2.550 20 30 FFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[n-]n1 ZINC001469327261 1064128389 /nfs/dbraw/zinc/12/83/89/1064128389.db2.gz VWXSGIFEEDBRQH-AWEZNQCLSA-N -1 3 365.393 2.558 20 30 FFEDHM O=C(C=Cc1ccc(F)cc1)C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472289362 1065004140 /nfs/dbraw/zinc/00/41/40/1065004140.db2.gz XZGXKHSTKURRJD-RSYPRJJBSA-N -1 3 369.396 2.746 20 30 FFEDHM COc1cc(Oc2cc(-c3nnn[n-]3)c(Br)cn2)ccc1C#N ZINC001579937678 1078721224 /nfs/dbraw/zinc/72/12/24/1078721224.db2.gz RTNVIHDEFJWQED-UHFFFAOYSA-N -1 3 373.170 2.697 20 30 FFEDHM COc1cc(Oc2cc(-c3nn[n-]n3)c(Br)cn2)ccc1C#N ZINC001579937678 1078721233 /nfs/dbraw/zinc/72/12/33/1078721233.db2.gz RTNVIHDEFJWQED-UHFFFAOYSA-N -1 3 373.170 2.697 20 30 FFEDHM Cc1cc(C(=O)OCc2cc(C#N)ccc2F)cc(C)c1-c1nnn[n-]1 ZINC001580889338 1078885989 /nfs/dbraw/zinc/88/59/89/1078885989.db2.gz QKFCCXVSXZWYJX-UHFFFAOYSA-N -1 3 351.341 2.851 20 30 FFEDHM Cc1cc(C(=O)OCc2cc(C#N)ccc2F)cc(C)c1-c1nn[n-]n1 ZINC001580889338 1078885994 /nfs/dbraw/zinc/88/59/94/1078885994.db2.gz QKFCCXVSXZWYJX-UHFFFAOYSA-N -1 3 351.341 2.851 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001580932933 1078894964 /nfs/dbraw/zinc/89/49/64/1078894964.db2.gz AAAGAHNTIMFWLS-UHFFFAOYSA-N -1 3 365.372 2.550 20 30 FFEDHM Cc1cc(F)c(C#N)cc1NC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001580932933 1078894972 /nfs/dbraw/zinc/89/49/72/1078894972.db2.gz AAAGAHNTIMFWLS-UHFFFAOYSA-N -1 3 365.372 2.550 20 30 FFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC001580890717 1078888644 /nfs/dbraw/zinc/88/86/44/1078888644.db2.gz UZWHZQONHNFMAC-UHFFFAOYSA-N -1 3 353.773 2.656 20 30 FFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC001580890717 1078888651 /nfs/dbraw/zinc/88/86/51/1078888651.db2.gz UZWHZQONHNFMAC-UHFFFAOYSA-N -1 3 353.773 2.656 20 30 FFEDHM N#CCc1cccc2c1CCN(C(=O)Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC001581859709 1079008926 /nfs/dbraw/zinc/00/89/26/1079008926.db2.gz RHEPPXHRRADOMC-UHFFFAOYSA-N -1 3 359.393 2.523 20 30 FFEDHM N#CCc1cccc2c1CCN(C(=O)Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC001581859709 1079008933 /nfs/dbraw/zinc/00/89/33/1079008933.db2.gz RHEPPXHRRADOMC-UHFFFAOYSA-N -1 3 359.393 2.523 20 30 FFEDHM N#Cc1cc(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cs1 ZINC001581865198 1079009779 /nfs/dbraw/zinc/00/97/79/1079009779.db2.gz FLSJIHISPFHYJE-HNNXBMFYSA-N -1 3 350.407 2.607 20 30 FFEDHM N#Cc1cc(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cs1 ZINC001581865198 1079009786 /nfs/dbraw/zinc/00/97/86/1079009786.db2.gz FLSJIHISPFHYJE-HNNXBMFYSA-N -1 3 350.407 2.607 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001581874349 1079010320 /nfs/dbraw/zinc/01/03/20/1079010320.db2.gz NPTFZIVPUOYPOU-CQSZACIVSA-N -1 3 350.407 2.607 20 30 FFEDHM N#Cc1ccc(C(=O)N(c2ccc(-c3nnn[n-]3)cc2)C2CCC2)s1 ZINC001581870489 1079011035 /nfs/dbraw/zinc/01/10/35/1079011035.db2.gz DXWVIHJQENJFNM-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#Cc1ccc(C(=O)N(c2ccc(-c3nn[n-]n3)cc2)C2CCC2)s1 ZINC001581870489 1079011044 /nfs/dbraw/zinc/01/10/44/1079011044.db2.gz DXWVIHJQENJFNM-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#Cc1cnc(Sc2cccc(-c3nnn[n-]3)c2Cl)c([N+](=O)[O-])c1 ZINC001581877728 1079012119 /nfs/dbraw/zinc/01/21/19/1079012119.db2.gz GMMQFYCJIYQCAP-UHFFFAOYSA-N -1 3 359.758 2.846 20 30 FFEDHM N#Cc1cnc(Sc2cccc(-c3nn[n-]n3)c2Cl)c([N+](=O)[O-])c1 ZINC001581877728 1079012128 /nfs/dbraw/zinc/01/21/28/1079012128.db2.gz GMMQFYCJIYQCAP-UHFFFAOYSA-N -1 3 359.758 2.846 20 30 FFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccc2c(c1)OCCCO2 ZINC001581874571 1079012850 /nfs/dbraw/zinc/01/28/50/1079012850.db2.gz XJEJACRUNADEGN-UHFFFAOYSA-N -1 3 362.393 2.554 20 30 FFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccc2c(c1)OCCCO2 ZINC001581874571 1079012856 /nfs/dbraw/zinc/01/28/56/1079012856.db2.gz XJEJACRUNADEGN-UHFFFAOYSA-N -1 3 362.393 2.554 20 30 FFEDHM C=CCOCCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001584723455 1079382910 /nfs/dbraw/zinc/38/29/10/1079382910.db2.gz WSBRTMMOKACZOI-UHFFFAOYSA-N -1 3 365.227 2.613 20 30 FFEDHM Cc1onc(CC(=O)Nc2c(C)c(Br)ccc2[O-])c1C#N ZINC001556771495 1075774041 /nfs/dbraw/zinc/77/40/41/1075774041.db2.gz ZEBHMANODWEOSD-UHFFFAOYSA-N -1 3 350.172 2.812 20 30 FFEDHM O=C(CCS(=O)(=O)C1CCCC1)N([O-])CCCCc1ccccc1 ZINC001559033848 1076118054 /nfs/dbraw/zinc/11/80/54/1076118054.db2.gz BFEUOGFUVAYMJE-UHFFFAOYSA-N -1 3 353.484 2.975 20 30 FFEDHM CCO[C@H]1C[C@H](N(C)Cc2cc(=O)n3[n-]cc(C#N)c3n2)C12CCCCC2 ZINC001559574395 1076174419 /nfs/dbraw/zinc/17/44/19/1076174419.db2.gz YLVJSLXKXPKIAI-IRXDYDNUSA-N -1 3 369.469 2.866 20 30 FFEDHM COc1cccc(F)c1C[N-]S(=O)(=O)c1cccc(C#N)c1Cl ZINC001561972606 1076457484 /nfs/dbraw/zinc/45/74/84/1076457484.db2.gz NKEGQOKOMRPOKB-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001586440159 1079629461 /nfs/dbraw/zinc/62/94/61/1079629461.db2.gz PSYYMFJZGCQLBT-INIZCTEOSA-N -1 3 364.449 2.704 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001588335810 1079988330 /nfs/dbraw/zinc/98/83/30/1079988330.db2.gz YRUDVHVQYJSUHK-CYBMUJFWSA-N -1 3 355.417 2.545 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)C(C)(C)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001588335810 1079988332 /nfs/dbraw/zinc/98/83/32/1079988332.db2.gz YRUDVHVQYJSUHK-CYBMUJFWSA-N -1 3 355.417 2.545 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CC(C)C ZINC001588345529 1079990401 /nfs/dbraw/zinc/99/04/01/1079990401.db2.gz KHZITTAWMXWFBX-UHFFFAOYSA-N -1 3 364.457 2.631 20 30 FFEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CC(C)C ZINC001588345529 1079990404 /nfs/dbraw/zinc/99/04/04/1079990404.db2.gz KHZITTAWMXWFBX-UHFFFAOYSA-N -1 3 364.457 2.631 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@@H](C)C[C@H]2C ZINC001588362773 1079994014 /nfs/dbraw/zinc/99/40/14/1079994014.db2.gz SGSQQZXFPSWXLS-WDEREUQCSA-N -1 3 359.455 2.592 20 30 FFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@@H](C)C[C@H]2C ZINC001588362773 1079994019 /nfs/dbraw/zinc/99/40/19/1079994019.db2.gz SGSQQZXFPSWXLS-WDEREUQCSA-N -1 3 359.455 2.592 20 30 FFEDHM C#CCSCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588362985 1079994310 /nfs/dbraw/zinc/99/43/10/1079994310.db2.gz CYJHRSDXKRZGSQ-UHFFFAOYSA-N -1 3 366.402 2.931 20 30 FFEDHM C#CCSCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588362985 1079994317 /nfs/dbraw/zinc/99/43/17/1079994317.db2.gz CYJHRSDXKRZGSQ-UHFFFAOYSA-N -1 3 366.402 2.931 20 30 FFEDHM C#Cc1ccc(Nc2c(-c3nnn[n-]3)cnc3c(F)c(F)c(F)cc32)cc1 ZINC001588374687 1079997544 /nfs/dbraw/zinc/99/75/44/1079997544.db2.gz JDCOMTVXNOUEEM-UHFFFAOYSA-N -1 3 366.306 2.979 20 30 FFEDHM C#Cc1ccc(Nc2c(-c3nn[n-]n3)cnc3c(F)c(F)c(F)cc32)cc1 ZINC001588374687 1079997551 /nfs/dbraw/zinc/99/75/51/1079997551.db2.gz JDCOMTVXNOUEEM-UHFFFAOYSA-N -1 3 366.306 2.979 20 30 FFEDHM c1cc(CN=Nc2cnccn2)cc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588381415 1079999225 /nfs/dbraw/zinc/99/92/25/1079999225.db2.gz AZWYSXKJRPXCBT-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM c1cc(CN=Nc2cnccn2)cc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588381415 1079999229 /nfs/dbraw/zinc/99/92/29/1079999229.db2.gz AZWYSXKJRPXCBT-UHFFFAOYSA-N -1 3 372.392 2.682 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588401008 1080009722 /nfs/dbraw/zinc/00/97/22/1080009722.db2.gz KKMQPBMNGFBHBD-CABZTGNLSA-N -1 3 354.336 2.674 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588401008 1080009730 /nfs/dbraw/zinc/00/97/30/1080009730.db2.gz KKMQPBMNGFBHBD-CABZTGNLSA-N -1 3 354.336 2.674 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC001588401144 1080010341 /nfs/dbraw/zinc/01/03/41/1080010341.db2.gz METCPLQKKYTBRW-BTDLBPIBSA-N -1 3 372.379 2.508 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC001588401144 1080010346 /nfs/dbraw/zinc/01/03/46/1080010346.db2.gz METCPLQKKYTBRW-BTDLBPIBSA-N -1 3 372.379 2.508 20 30 FFEDHM C=C(C)C(C)(C)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001588402701 1080010640 /nfs/dbraw/zinc/01/06/40/1080010640.db2.gz KIXCHYLIRZOHGH-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)C(C)(C)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001588402701 1080010648 /nfs/dbraw/zinc/01/06/48/1080010648.db2.gz KIXCHYLIRZOHGH-UHFFFAOYSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588412687 1080015360 /nfs/dbraw/zinc/01/53/60/1080015360.db2.gz YWZKECCMCAYZAP-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588412687 1080015369 /nfs/dbraw/zinc/01/53/69/1080015369.db2.gz YWZKECCMCAYZAP-ZBFHGGJFSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588412065 1080015498 /nfs/dbraw/zinc/01/54/98/1080015498.db2.gz QTNXTKHYPJBLRJ-HUUCEWRRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588412065 1080015508 /nfs/dbraw/zinc/01/55/08/1080015508.db2.gz QTNXTKHYPJBLRJ-HUUCEWRRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588411488 1080015989 /nfs/dbraw/zinc/01/59/89/1080015989.db2.gz DJQRMCJCCNRPTC-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588411488 1080015998 /nfs/dbraw/zinc/01/59/98/1080015998.db2.gz DJQRMCJCCNRPTC-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(CNC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC001588444267 1080029011 /nfs/dbraw/zinc/02/90/11/1080029011.db2.gz UMARFGTWRAZYHW-UHFFFAOYSA-N -1 3 363.396 2.867 20 30 FFEDHM C=C(CNC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC001588444267 1080029017 /nfs/dbraw/zinc/02/90/17/1080029017.db2.gz UMARFGTWRAZYHW-UHFFFAOYSA-N -1 3 363.396 2.867 20 30 FFEDHM C=C1CCC(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001588461959 1080037736 /nfs/dbraw/zinc/03/77/36/1080037736.db2.gz YOWWXUBGBPYZDN-QGZVFWFLSA-N -1 3 353.426 2.513 20 30 FFEDHM C=C1CCC(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001588461959 1080037744 /nfs/dbraw/zinc/03/77/44/1080037744.db2.gz YOWWXUBGBPYZDN-QGZVFWFLSA-N -1 3 353.426 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)NC/C=C\CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588483343 1080046336 /nfs/dbraw/zinc/04/63/36/1080046336.db2.gz GYZAYPBVQQBHSF-WAYWQWQTSA-N -1 3 358.421 2.692 20 30 FFEDHM C=CC(C)(C)CC(=O)NC/C=C\CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588483343 1080046343 /nfs/dbraw/zinc/04/63/43/1080046343.db2.gz GYZAYPBVQQBHSF-WAYWQWQTSA-N -1 3 358.421 2.692 20 30 FFEDHM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588487469 1080049989 /nfs/dbraw/zinc/04/99/89/1080049989.db2.gz ROMDIODXDWGMSC-UHFFFAOYSA-N -1 3 369.878 2.791 20 30 FFEDHM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588487469 1080049993 /nfs/dbraw/zinc/04/99/93/1080049993.db2.gz ROMDIODXDWGMSC-UHFFFAOYSA-N -1 3 369.878 2.791 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588494043 1080055875 /nfs/dbraw/zinc/05/58/75/1080055875.db2.gz OJZAPYGRLUIYSE-ORAYPTAESA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588494043 1080055884 /nfs/dbraw/zinc/05/58/84/1080055884.db2.gz OJZAPYGRLUIYSE-ORAYPTAESA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588492586 1080056554 /nfs/dbraw/zinc/05/65/54/1080056554.db2.gz UMLSRGFFWXNAOP-LIRRHRJNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588492586 1080056559 /nfs/dbraw/zinc/05/65/59/1080056559.db2.gz UMLSRGFFWXNAOP-LIRRHRJNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(O)C(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001588499000 1080059998 /nfs/dbraw/zinc/05/99/98/1080059998.db2.gz GBJGVBSFSMIHAF-GOSISDBHSA-N -1 3 367.434 2.893 20 30 FFEDHM C=C[C@@](C)(O)C(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001588499000 1080060004 /nfs/dbraw/zinc/06/00/04/1080060004.db2.gz GBJGVBSFSMIHAF-GOSISDBHSA-N -1 3 367.434 2.893 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588521934 1080074801 /nfs/dbraw/zinc/07/48/01/1080074801.db2.gz WOUHVERZTXSNEU-WLYUNCDWSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588521934 1080074806 /nfs/dbraw/zinc/07/48/06/1080074806.db2.gz WOUHVERZTXSNEU-WLYUNCDWSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(=O)OC ZINC001588526236 1080077726 /nfs/dbraw/zinc/07/77/26/1080077726.db2.gz SVOSTYRABJNNHS-QGZVFWFLSA-N -1 3 365.393 2.585 20 30 FFEDHM C=C[C@@H](Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(=O)OC ZINC001588526236 1080077734 /nfs/dbraw/zinc/07/77/34/1080077734.db2.gz SVOSTYRABJNNHS-QGZVFWFLSA-N -1 3 365.393 2.585 20 30 FFEDHM C=C[C@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(=O)OC ZINC001588526508 1080078137 /nfs/dbraw/zinc/07/81/37/1080078137.db2.gz XOWUZGFBVBRJAR-HNNXBMFYSA-N -1 3 351.366 2.799 20 30 FFEDHM C=C[C@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(=O)OC ZINC001588526508 1080078145 /nfs/dbraw/zinc/07/81/45/1080078145.db2.gz XOWUZGFBVBRJAR-HNNXBMFYSA-N -1 3 351.366 2.799 20 30 FFEDHM C=CC[C@H](C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588529546 1080079888 /nfs/dbraw/zinc/07/98/88/1080079888.db2.gz BWADDOGHSBKXNR-OALUTQOASA-N -1 3 359.433 2.810 20 30 FFEDHM C=CC[C@H](C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588529546 1080079898 /nfs/dbraw/zinc/07/98/98/1080079898.db2.gz BWADDOGHSBKXNR-OALUTQOASA-N -1 3 359.433 2.810 20 30 FFEDHM C=CCC(CC=C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588544698 1080088945 /nfs/dbraw/zinc/08/89/45/1080088945.db2.gz PVAYOEWTIGHWOS-UHFFFAOYSA-N -1 3 367.453 2.757 20 30 FFEDHM C=CCC(CC=C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588544698 1080088954 /nfs/dbraw/zinc/08/89/54/1080088954.db2.gz PVAYOEWTIGHWOS-UHFFFAOYSA-N -1 3 367.453 2.757 20 30 FFEDHM C=CCC1(C(=O)N2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)CCCCC1 ZINC001588549398 1080090642 /nfs/dbraw/zinc/09/06/42/1080090642.db2.gz PXBJBRPFZZTLEG-UHFFFAOYSA-N -1 3 367.453 2.983 20 30 FFEDHM C=CCC1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCC1 ZINC001588551829 1080091935 /nfs/dbraw/zinc/09/19/35/1080091935.db2.gz JBNKAASVXIWVDX-CYBMUJFWSA-N -1 3 370.432 2.765 20 30 FFEDHM C=CCC1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCC1 ZINC001588551829 1080091940 /nfs/dbraw/zinc/09/19/40/1080091940.db2.gz JBNKAASVXIWVDX-CYBMUJFWSA-N -1 3 370.432 2.765 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001588552479 1080091959 /nfs/dbraw/zinc/09/19/59/1080091959.db2.gz XXUFOGTUODZFLJ-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001588552479 1080091969 /nfs/dbraw/zinc/09/19/69/1080091969.db2.gz XXUFOGTUODZFLJ-KBPBESRZSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588558697 1080096896 /nfs/dbraw/zinc/09/68/96/1080096896.db2.gz BTMWWTCVMCTBJS-DZGCQCFKSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588558697 1080096904 /nfs/dbraw/zinc/09/69/04/1080096904.db2.gz BTMWWTCVMCTBJS-DZGCQCFKSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588560431 1080098118 /nfs/dbraw/zinc/09/81/18/1080098118.db2.gz QNDPSXGFTZJNQJ-SUMWQHHRSA-N -1 3 354.458 2.797 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588560431 1080098127 /nfs/dbraw/zinc/09/81/27/1080098127.db2.gz QNDPSXGFTZJNQJ-SUMWQHHRSA-N -1 3 354.458 2.797 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588570979 1080102963 /nfs/dbraw/zinc/10/29/63/1080102963.db2.gz SNQHFABOLNCRKT-GOEBONIOSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588570979 1080102965 /nfs/dbraw/zinc/10/29/65/1080102965.db2.gz SNQHFABOLNCRKT-GOEBONIOSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588578077 1080106150 /nfs/dbraw/zinc/10/61/50/1080106150.db2.gz VLJLANLDGZKPTD-UHFFFAOYSA-N -1 3 365.441 2.775 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588578077 1080106152 /nfs/dbraw/zinc/10/61/52/1080106152.db2.gz VLJLANLDGZKPTD-UHFFFAOYSA-N -1 3 365.441 2.775 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588582840 1080108326 /nfs/dbraw/zinc/10/83/26/1080108326.db2.gz PRMAKEMFJCWUBD-HOCLYGCPSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588582840 1080108329 /nfs/dbraw/zinc/10/83/29/1080108329.db2.gz PRMAKEMFJCWUBD-HOCLYGCPSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588587234 1080111149 /nfs/dbraw/zinc/11/11/49/1080111149.db2.gz RRMPMZVTLRGKIQ-HUUCEWRRSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N[C@@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588587234 1080111152 /nfs/dbraw/zinc/11/11/52/1080111152.db2.gz RRMPMZVTLRGKIQ-HUUCEWRRSA-N -1 3 369.473 2.766 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588588715 1080112070 /nfs/dbraw/zinc/11/20/70/1080112070.db2.gz XNEXZKVBENWFTE-HOCLYGCPSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588588715 1080112074 /nfs/dbraw/zinc/11/20/74/1080112074.db2.gz XNEXZKVBENWFTE-HOCLYGCPSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588593659 1080115638 /nfs/dbraw/zinc/11/56/38/1080115638.db2.gz GKGXMNATXDIXQD-UHFFFAOYSA-N -1 3 369.878 2.935 20 30 FFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588593659 1080115643 /nfs/dbraw/zinc/11/56/43/1080115643.db2.gz GKGXMNATXDIXQD-UHFFFAOYSA-N -1 3 369.878 2.935 20 30 FFEDHM C=CCCCCCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588593614 1080115922 /nfs/dbraw/zinc/11/59/22/1080115922.db2.gz FMRFKOUCSYBREC-KRWDZBQOSA-N -1 3 352.442 2.802 20 30 FFEDHM C=CCCOCCNC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588618011 1080123916 /nfs/dbraw/zinc/12/39/16/1080123916.db2.gz NJMIUTQMDURHQD-UHFFFAOYSA-N -1 3 357.439 2.712 20 30 FFEDHM C=CCCOCCNC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588618011 1080123918 /nfs/dbraw/zinc/12/39/18/1080123918.db2.gz NJMIUTQMDURHQD-UHFFFAOYSA-N -1 3 357.439 2.712 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588653582 1080143305 /nfs/dbraw/zinc/14/33/05/1080143305.db2.gz OGRLVSIUJFGWCQ-UHFFFAOYSA-N -1 3 374.404 2.575 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588653582 1080143310 /nfs/dbraw/zinc/14/33/10/1080143310.db2.gz OGRLVSIUJFGWCQ-UHFFFAOYSA-N -1 3 374.404 2.575 20 30 FFEDHM C=CCO[C@H]1CCN(C(=O)c2sc3ccc(-c4nnn[n-]4)cc3c2C)C1 ZINC001588665032 1080146988 /nfs/dbraw/zinc/14/69/88/1080146988.db2.gz CPXMDKLEFIGIGD-ZDUSSCGKSA-N -1 3 369.450 2.807 20 30 FFEDHM C=CCO[C@H]1CCN(C(=O)c2sc3ccc(-c4nn[n-]n4)cc3c2C)C1 ZINC001588665032 1080146994 /nfs/dbraw/zinc/14/69/94/1080146994.db2.gz CPXMDKLEFIGIGD-ZDUSSCGKSA-N -1 3 369.450 2.807 20 30 FFEDHM C=CCOc1cccnc1C(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001588688325 1080154937 /nfs/dbraw/zinc/15/49/37/1080154937.db2.gz CRZJNSUCAFUEDR-UHFFFAOYSA-N -1 3 365.393 2.971 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001588689177 1080155633 /nfs/dbraw/zinc/15/56/33/1080155633.db2.gz AFACCOZYUGEQAE-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCOc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001588689177 1080155636 /nfs/dbraw/zinc/15/56/36/1080155636.db2.gz AFACCOZYUGEQAE-UHFFFAOYSA-N -1 3 368.372 2.892 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC001588717320 1080168130 /nfs/dbraw/zinc/16/81/30/1080168130.db2.gz ZVQBHDWZXQXPIL-UHFFFAOYSA-N -1 3 363.356 2.794 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC001588717320 1080168137 /nfs/dbraw/zinc/16/81/37/1080168137.db2.gz ZVQBHDWZXQXPIL-UHFFFAOYSA-N -1 3 363.356 2.794 20 30 FFEDHM CC#CCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001588745779 1080178627 /nfs/dbraw/zinc/17/86/27/1080178627.db2.gz DCJOICVBKCHNPL-UHFFFAOYSA-N -1 3 356.386 2.567 20 30 FFEDHM CC#CCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001588745779 1080178631 /nfs/dbraw/zinc/17/86/31/1080178631.db2.gz DCJOICVBKCHNPL-UHFFFAOYSA-N -1 3 356.386 2.567 20 30 FFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccnc(C)n1 ZINC001588777424 1080192002 /nfs/dbraw/zinc/19/20/02/1080192002.db2.gz VWCHNCUOKCGRRK-UHFFFAOYSA-N -1 3 362.319 2.820 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccnc(C)n1 ZINC001588777424 1080192006 /nfs/dbraw/zinc/19/20/06/1080192006.db2.gz VWCHNCUOKCGRRK-UHFFFAOYSA-N -1 3 362.319 2.820 20 30 FFEDHM CC(N=Nc1ccc(Br)cn1)c1ccccc1-c1nn[n-]n1 ZINC001588780957 1080193172 /nfs/dbraw/zinc/19/31/72/1080193172.db2.gz VMXPSNLMWDISQV-UHFFFAOYSA-N -1 3 358.203 2.860 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)NCC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001589036130 1080317511 /nfs/dbraw/zinc/31/75/11/1080317511.db2.gz REIWKWZXFZEEHX-UHFFFAOYSA-N -1 3 357.418 2.715 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)NCC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001589036130 1080317516 /nfs/dbraw/zinc/31/75/16/1080317516.db2.gz REIWKWZXFZEEHX-UHFFFAOYSA-N -1 3 357.418 2.715 20 30 FFEDHM CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589059105 1080330974 /nfs/dbraw/zinc/33/09/74/1080330974.db2.gz NBOSWLJWKVQFDL-NHYWBVRUSA-N -1 3 357.389 2.909 20 30 FFEDHM CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589059105 1080330977 /nfs/dbraw/zinc/33/09/77/1080330977.db2.gz NBOSWLJWKVQFDL-NHYWBVRUSA-N -1 3 357.389 2.909 20 30 FFEDHM CC(C)(C(=O)OCc1cccc(C#N)c1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589061508 1080332410 /nfs/dbraw/zinc/33/24/10/1080332410.db2.gz BPPCENZLIPKCOJ-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)(C(=O)OCc1cccc(C#N)c1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589061508 1080332417 /nfs/dbraw/zinc/33/24/17/1080332417.db2.gz BPPCENZLIPKCOJ-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001589488481 1080560049 /nfs/dbraw/zinc/56/00/49/1080560049.db2.gz QPNULZWZSGEGRE-ZQIUZPCESA-N -1 3 369.425 2.896 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001589488481 1080560058 /nfs/dbraw/zinc/56/00/58/1080560058.db2.gz QPNULZWZSGEGRE-ZQIUZPCESA-N -1 3 369.425 2.896 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1C#N ZINC001589758159 1080712893 /nfs/dbraw/zinc/71/28/93/1080712893.db2.gz SJKAWMROEWCZMY-UHFFFAOYSA-N -1 3 366.356 2.917 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1C#N ZINC001589758159 1080712898 /nfs/dbraw/zinc/71/28/98/1080712898.db2.gz SJKAWMROEWCZMY-UHFFFAOYSA-N -1 3 366.356 2.917 20 30 FFEDHM C[C@H](CC(C)(C)C#N)OC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001589796658 1080750642 /nfs/dbraw/zinc/75/06/42/1080750642.db2.gz YGEKWESGNSGPNM-LLVKDONJSA-N -1 3 357.389 2.909 20 30 FFEDHM C[C@H](CC(C)(C)C#N)OC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001589796658 1080750645 /nfs/dbraw/zinc/75/06/45/1080750645.db2.gz YGEKWESGNSGPNM-LLVKDONJSA-N -1 3 357.389 2.909 20 30 FFEDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589802647 1080759327 /nfs/dbraw/zinc/75/93/27/1080759327.db2.gz HSYCQOCRNNDFKK-ZBEGNZNMSA-N -1 3 352.373 2.802 20 30 FFEDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589802647 1080759335 /nfs/dbraw/zinc/75/93/35/1080759335.db2.gz HSYCQOCRNNDFKK-ZBEGNZNMSA-N -1 3 352.373 2.802 20 30 FFEDHM CC(C)(C)OC(=O)[C@H]1CN(Cc2cccc(C#N)c2)CC12CC(C(=O)[O-])C2 ZINC001589866759 1080815302 /nfs/dbraw/zinc/81/53/02/1080815302.db2.gz PWPVHCBYIFQXGW-BQIYRTECSA-N -1 3 370.449 2.813 20 30 FFEDHM C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589946483 1080891953 /nfs/dbraw/zinc/89/19/53/1080891953.db2.gz KVRFEXAZIHFDGO-LBPRGKRZSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589946483 1080891960 /nfs/dbraw/zinc/89/19/60/1080891960.db2.gz KVRFEXAZIHFDGO-LBPRGKRZSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1(C#N)CCC1 ZINC001590033561 1080960415 /nfs/dbraw/zinc/96/04/15/1080960415.db2.gz XMJWMRQPYNPQKX-SECBINFHSA-N -1 3 362.846 2.563 20 30 FFEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1(C#N)CCC1 ZINC001590033561 1080960421 /nfs/dbraw/zinc/96/04/21/1080960421.db2.gz XMJWMRQPYNPQKX-SECBINFHSA-N -1 3 362.846 2.563 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001590050437 1080979222 /nfs/dbraw/zinc/97/92/22/1080979222.db2.gz RXDJXIVRGMJQOK-JTQLQIEISA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001590050437 1080979228 /nfs/dbraw/zinc/97/92/28/1080979228.db2.gz RXDJXIVRGMJQOK-JTQLQIEISA-N -1 3 367.800 2.620 20 30 FFEDHM CC1(C)CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@](C)(C(F)(F)F)O1 ZINC001590106894 1081019143 /nfs/dbraw/zinc/01/91/43/1081019143.db2.gz YHKYMKSANUGLPQ-HNNXBMFYSA-N -1 3 366.347 2.675 20 30 FFEDHM CC1(C)CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@](C)(C(F)(F)F)O1 ZINC001590106894 1081019149 /nfs/dbraw/zinc/01/91/49/1081019149.db2.gz YHKYMKSANUGLPQ-HNNXBMFYSA-N -1 3 366.347 2.675 20 30 FFEDHM CC1CC(C#N)(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)c2)C1 ZINC001590179558 1081072214 /nfs/dbraw/zinc/07/22/14/1081072214.db2.gz DQJJQENOYGEYKZ-UHFFFAOYSA-N -1 3 361.203 2.508 20 30 FFEDHM CC1CC(C#N)(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)c2)C1 ZINC001590179558 1081072219 /nfs/dbraw/zinc/07/22/19/1081072219.db2.gz DQJJQENOYGEYKZ-UHFFFAOYSA-N -1 3 361.203 2.508 20 30 FFEDHM C[C@@H]1CCC[C@H](CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC001590240995 1081115637 /nfs/dbraw/zinc/11/56/37/1081115637.db2.gz FUTFOHMESVFLCR-DTTOXWODSA-N -1 3 366.469 2.737 20 30 FFEDHM N#Cc1ccnc(N2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)CC2)c1 ZINC000273277083 252269676 /nfs/dbraw/zinc/26/96/76/252269676.db2.gz HWKMONBJWQNTDV-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000276947223 256145283 /nfs/dbraw/zinc/14/52/83/256145283.db2.gz NVJHCVCVOJSWOL-UWVGGRQHSA-N -1 3 367.862 2.883 20 30 FFEDHM CSc1nnc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)s1 ZINC000277955370 256260038 /nfs/dbraw/zinc/26/00/38/256260038.db2.gz MDOMBECWEBURLB-UHFFFAOYSA-N -1 3 374.451 2.684 20 30 FFEDHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000286508258 257040409 /nfs/dbraw/zinc/04/04/09/257040409.db2.gz DWUVBGQMWVVMPJ-OAHLLOKOSA-N -1 3 362.407 2.513 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)o1 ZINC000286932229 257062695 /nfs/dbraw/zinc/06/26/95/257062695.db2.gz PSPZVUVTBJGCQV-ALOPSCKCSA-N -1 3 371.462 2.625 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c1 ZINC000331083481 258176728 /nfs/dbraw/zinc/17/67/28/258176728.db2.gz YVVLNJABOOUCQT-DZGCQCFKSA-N -1 3 356.875 2.821 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c1 ZINC000333149934 258252639 /nfs/dbraw/zinc/25/26/39/258252639.db2.gz LPIKTOBCUFFPOW-AWEZNQCLSA-N -1 3 353.875 2.507 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC)CC#N ZINC000613013252 520269766 /nfs/dbraw/zinc/26/97/66/520269766.db2.gz NFZWFUWFWZQNTC-NSHDSACASA-N -1 3 361.261 2.818 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1 ZINC000032632532 506271492 /nfs/dbraw/zinc/27/14/92/506271492.db2.gz TZKYYRSDQGBHSW-UHFFFAOYSA-N -1 3 350.783 2.784 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cccs3)C2)c(F)c1 ZINC000068941507 507366319 /nfs/dbraw/zinc/36/63/19/507366319.db2.gz CEBJNVSXCXBRLS-CYBMUJFWSA-N -1 3 365.455 2.706 20 30 FFEDHM COc1ccc(C(C)=O)c(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000060943876 507587190 /nfs/dbraw/zinc/58/71/90/507587190.db2.gz WXECLKOEIAPCDY-UHFFFAOYSA-N -1 3 368.389 2.613 20 30 FFEDHM N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CCC1 ZINC000109897879 507995351 /nfs/dbraw/zinc/99/53/51/507995351.db2.gz LMJHTRSDYMZLSY-UHFFFAOYSA-N -1 3 373.409 2.803 20 30 FFEDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000093931700 508161664 /nfs/dbraw/zinc/16/16/64/508161664.db2.gz NWRQLCQRJZDWFQ-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000101515762 508241795 /nfs/dbraw/zinc/24/17/95/508241795.db2.gz YJMZCHWLBMTFQI-UHFFFAOYSA-N -1 3 363.826 2.736 20 30 FFEDHM CS(=O)(=O)Cc1c2ccccc2oc1C([O-])=C(C#N)c1ccccn1 ZINC000102595591 508278325 /nfs/dbraw/zinc/27/83/25/508278325.db2.gz IBKSKGZJUOKWBP-CYBMUJFWSA-N -1 3 354.387 2.862 20 30 FFEDHM C=CCN(CC=C)[C@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)C(C)C ZINC000084926524 508297259 /nfs/dbraw/zinc/29/72/59/508297259.db2.gz BZANNSQEADTSCS-MRXNPFEDSA-N -1 3 374.510 2.809 20 30 FFEDHM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1ccc(C(F)(F)F)cn1 ZINC000103796648 508322686 /nfs/dbraw/zinc/32/26/86/508322686.db2.gz LIOMMFHYJSTRCF-NSHDSACASA-N -1 3 361.279 2.921 20 30 FFEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104141258 508328858 /nfs/dbraw/zinc/32/88/58/508328858.db2.gz IDNHTZFHGRIYMJ-UHFFFAOYSA-N -1 3 367.364 2.617 20 30 FFEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000088547244 508375741 /nfs/dbraw/zinc/37/57/41/508375741.db2.gz BPAZSBOPRDBIIB-UHFFFAOYSA-N -1 3 350.783 2.784 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccccc2)C1 ZINC000156716550 508467703 /nfs/dbraw/zinc/46/77/03/508467703.db2.gz ITGYTDPDRUMXMN-AWEZNQCLSA-N -1 3 359.426 2.502 20 30 FFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000152737614 508505341 /nfs/dbraw/zinc/50/53/41/508505341.db2.gz UNIFYSJGGDUYDV-ZETCQYMHSA-N -1 3 354.653 2.964 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000127836208 508507938 /nfs/dbraw/zinc/50/79/38/508507938.db2.gz NWSNCVCVPPUKFU-IUODEOHRSA-N -1 3 356.875 2.821 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC1Cc2ccccc2C1 ZINC000122313775 508516295 /nfs/dbraw/zinc/51/62/95/508516295.db2.gz SCFGMIKNRYWVAR-UHFFFAOYSA-N -1 3 363.461 2.717 20 30 FFEDHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000152969163 508534962 /nfs/dbraw/zinc/53/49/62/508534962.db2.gz UVEXRNSUNCKKLW-LBPRGKRZSA-N -1 3 364.446 2.997 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000135545793 508620840 /nfs/dbraw/zinc/62/08/40/508620840.db2.gz HAWGGOYOHFOKQA-UHFFFAOYSA-N -1 3 364.434 2.534 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000135545793 508620844 /nfs/dbraw/zinc/62/08/44/508620844.db2.gz HAWGGOYOHFOKQA-UHFFFAOYSA-N -1 3 364.434 2.534 20 30 FFEDHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000158108377 508657874 /nfs/dbraw/zinc/65/78/74/508657874.db2.gz FNPSOWUMEOQMQG-GXFFZTMASA-N -1 3 354.428 2.549 20 30 FFEDHM COCCS(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000154423853 508781977 /nfs/dbraw/zinc/78/19/77/508781977.db2.gz PUPOQZUADJVQPI-UHFFFAOYSA-N -1 3 364.398 2.664 20 30 FFEDHM C=CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000154461634 508789891 /nfs/dbraw/zinc/78/98/91/508789891.db2.gz ILDMLXGYLZOGJC-OAHLLOKOSA-N -1 3 364.492 2.850 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000124379181 508822916 /nfs/dbraw/zinc/82/29/16/508822916.db2.gz SSTXEJSNSAOXMQ-UHFFFAOYSA-N -1 3 350.827 2.707 20 30 FFEDHM Cc1ccc([O-])c(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000119630732 508833110 /nfs/dbraw/zinc/83/31/10/508833110.db2.gz DFGGGLCYAYIJNE-UHFFFAOYSA-N -1 3 365.393 2.538 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119816487 508868951 /nfs/dbraw/zinc/86/89/51/508868951.db2.gz CHXWVBZEMKDEFU-KRWDZBQOSA-N -1 3 364.409 2.724 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119816487 508868956 /nfs/dbraw/zinc/86/89/56/508868956.db2.gz CHXWVBZEMKDEFU-KRWDZBQOSA-N -1 3 364.409 2.724 20 30 FFEDHM O=C(c1ccccc1[O-])N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000125276551 508959154 /nfs/dbraw/zinc/95/91/54/508959154.db2.gz APIYFCZTSOCZGA-UHFFFAOYSA-N -1 3 354.837 2.855 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)c(F)c1 ZINC000151115776 508960323 /nfs/dbraw/zinc/96/03/23/508960323.db2.gz FTMOPEXQRFTQFB-UHFFFAOYSA-N -1 3 352.362 2.584 20 30 FFEDHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151207167 508978977 /nfs/dbraw/zinc/97/89/77/508978977.db2.gz ZUPHPSGQLUJEGA-XJKSGUPXSA-N -1 3 354.447 2.817 20 30 FFEDHM C=CCCCCCN(C)C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000120995055 509105273 /nfs/dbraw/zinc/10/52/73/509105273.db2.gz IAWXNIGFEKXDGH-INIZCTEOSA-N -1 3 358.442 2.647 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000133050159 509109189 /nfs/dbraw/zinc/10/91/89/509109189.db2.gz WTJQACCNCPDDAH-UHFFFAOYSA-N -1 3 354.255 2.873 20 30 FFEDHM C[C@@H]1CCCC[C@H]1[N-]C(=S)C(C(=O)c1cnn(C)c1)[n+]1cccc([O-])c1 ZINC000151928505 509112457 /nfs/dbraw/zinc/11/24/57/509112457.db2.gz NSXAYWVJCIHQBA-CZUORRHYSA-O -1 3 373.502 2.520 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCc2sccc21 ZINC000162054549 509170877 /nfs/dbraw/zinc/17/08/77/509170877.db2.gz HFBPJNRVAHQZEF-GFCCVEGCSA-N -1 3 363.420 2.884 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1[O-] ZINC000188691074 509216186 /nfs/dbraw/zinc/21/61/86/509216186.db2.gz APDDBOPIDKFZJX-UHFFFAOYSA-N -1 3 365.433 2.720 20 30 FFEDHM C[C@H]1CC([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000162882979 509313759 /nfs/dbraw/zinc/31/37/59/509313759.db2.gz AKXTYPDNSPZBAX-UWVGGRQHSA-N -1 3 362.373 2.811 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2sccc2Br)s1 ZINC000230343422 509437099 /nfs/dbraw/zinc/43/70/99/509437099.db2.gz ZTSIJEFMHPQPJC-UHFFFAOYSA-N -1 3 363.283 2.922 20 30 FFEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000192561316 509555118 /nfs/dbraw/zinc/55/51/18/509555118.db2.gz RITRPXDEEODWQD-HNNXBMFYSA-N -1 3 374.448 2.794 20 30 FFEDHM N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186186054 509565033 /nfs/dbraw/zinc/56/50/33/509565033.db2.gz HSOSVLHAHQGNMR-UHFFFAOYSA-N -1 3 368.368 2.973 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000186417999 509699611 /nfs/dbraw/zinc/69/96/11/509699611.db2.gz BSBLAKXAQNFHRW-CQSZACIVSA-N -1 3 366.266 2.877 20 30 FFEDHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000180037889 509720388 /nfs/dbraw/zinc/72/03/88/509720388.db2.gz LTBVFIZDTLLDEL-UHFFFAOYSA-N -1 3 355.872 2.752 20 30 FFEDHM CCC(CC)[C@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCO1 ZINC000183377791 509748159 /nfs/dbraw/zinc/74/81/59/509748159.db2.gz JDSFRNQYUIOVMS-VQIMIIECSA-N -1 3 373.497 2.896 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(O[C@@H]2CCOC2)c1 ZINC000183451300 509798818 /nfs/dbraw/zinc/79/88/18/509798818.db2.gz ZVHIZMGYMZQATN-HUUCEWRRSA-N -1 3 362.389 2.626 20 30 FFEDHM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)ccn1 ZINC000180197323 509807841 /nfs/dbraw/zinc/80/78/41/509807841.db2.gz BABGMYMXCCBXCH-GFCCVEGCSA-N -1 3 363.414 2.748 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000180419081 509916136 /nfs/dbraw/zinc/91/61/36/509916136.db2.gz YOCKJERSJOOCTF-JTQLQIEISA-N -1 3 366.830 2.674 20 30 FFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C12CCC2 ZINC000183735812 509951636 /nfs/dbraw/zinc/95/16/36/509951636.db2.gz SXZJPTJTZOQKTJ-LSDHHAIUSA-N -1 3 354.859 2.838 20 30 FFEDHM C[C@@H](C#N)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184086322 510125463 /nfs/dbraw/zinc/12/54/63/510125463.db2.gz ILPRQMOVDBXLCV-KBXCAEBGSA-N -1 3 351.406 2.529 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCCC#N)ccc1Cl ZINC000171509873 510199281 /nfs/dbraw/zinc/19/92/81/510199281.db2.gz URAGVCRSSIAHNW-UHFFFAOYSA-N -1 3 371.890 2.840 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184249731 510217362 /nfs/dbraw/zinc/21/73/62/510217362.db2.gz TUNSREREUONRRF-UHFFFAOYSA-N -1 3 369.761 2.737 20 30 FFEDHM CC(C)Oc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1ccccn1 ZINC000181010225 510237325 /nfs/dbraw/zinc/23/73/25/510237325.db2.gz XEPAEVCCNNWSDM-OAHLLOKOSA-N -1 3 358.419 2.762 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3CCCC3)no2)ccc1F ZINC000171790768 510370938 /nfs/dbraw/zinc/37/09/38/510370938.db2.gz XNGMRVQLOCSQSC-UHFFFAOYSA-N -1 3 351.403 2.998 20 30 FFEDHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1 ZINC000190998533 510458834 /nfs/dbraw/zinc/45/88/34/510458834.db2.gz NWVLWDKIKYGREQ-OAHLLOKOSA-N -1 3 370.446 2.602 20 30 FFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000175168306 510514368 /nfs/dbraw/zinc/51/43/68/510514368.db2.gz UYWVKUJXUHEMPK-ZETCQYMHSA-N -1 3 371.178 2.906 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1-n1cnnn1 ZINC000181696107 510544617 /nfs/dbraw/zinc/54/46/17/510544617.db2.gz LSBQVYTVJDOSFC-LBPRGKRZSA-N -1 3 368.422 2.741 20 30 FFEDHM N#CCc1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000172583228 510803681 /nfs/dbraw/zinc/80/36/81/510803681.db2.gz FOZSZVGILNKMNL-UHFFFAOYSA-N -1 3 373.409 2.585 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)[C@@H]1OCCc2sccc21 ZINC000330205533 510938227 /nfs/dbraw/zinc/93/82/27/510938227.db2.gz DNNDJUBLYNRDGB-WFASDCNBSA-N -1 3 354.497 2.754 20 30 FFEDHM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[N-]c2snc(C)c2C#N)c1 ZINC000297476234 510959616 /nfs/dbraw/zinc/95/96/16/510959616.db2.gz RROVVBXOWOMZDQ-JTQLQIEISA-N -1 3 359.411 2.941 20 30 FFEDHM CC(=O)Nc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1F ZINC000298134428 511185116 /nfs/dbraw/zinc/18/51/16/511185116.db2.gz MJGUEMUJICPKLH-UHFFFAOYSA-N -1 3 370.384 2.945 20 30 FFEDHM CCc1cc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)ccc1[O-] ZINC000291828525 511354856 /nfs/dbraw/zinc/35/48/56/511354856.db2.gz FQQNYVFJWLUGRK-UHFFFAOYSA-N -1 3 356.451 2.554 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@H]1OCCc2sccc21 ZINC000291961575 511408076 /nfs/dbraw/zinc/40/80/76/511408076.db2.gz PMXXHJORXBPGTN-MGPLVRAMSA-N -1 3 366.439 2.740 20 30 FFEDHM Cn1cc(C#N)c([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)n1 ZINC000280462060 511474674 /nfs/dbraw/zinc/47/46/74/511474674.db2.gz XMYIDRMNVGYTGG-UHFFFAOYSA-N -1 3 358.452 2.815 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2c[nH]c3ncccc23)no1 ZINC000274152900 511735756 /nfs/dbraw/zinc/73/57/56/511735756.db2.gz MZTKOGANGTWZHB-UHFFFAOYSA-N -1 3 374.404 2.911 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H](CCC)OC)no2)ccc1F ZINC000296458901 511751808 /nfs/dbraw/zinc/75/18/08/511751808.db2.gz NQDKOCAQPAXDCF-CYBMUJFWSA-N -1 3 369.418 2.828 20 30 FFEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000326468667 511858750 /nfs/dbraw/zinc/85/87/50/511858750.db2.gz CTLJDHQWIVXQKV-INIZCTEOSA-N -1 3 363.508 2.981 20 30 FFEDHM CC(F)(F)CC[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000296928539 511953827 /nfs/dbraw/zinc/95/38/27/511953827.db2.gz GBFWZQWUHXJWPS-UHFFFAOYSA-N -1 3 353.188 2.644 20 30 FFEDHM C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000328902388 511947916 /nfs/dbraw/zinc/94/79/16/511947916.db2.gz GOFDFGVTJNHDAL-BLLLJJGKSA-N -1 3 352.394 2.893 20 30 FFEDHM CCOc1nc2ccc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)cc2[n-]1 ZINC000366451593 512031533 /nfs/dbraw/zinc/03/15/33/512031533.db2.gz LFPKTNJKKZKJCV-UHFFFAOYSA-N -1 3 373.376 2.666 20 30 FFEDHM CCOc1nc2cc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)ccc2[n-]1 ZINC000366451593 512031537 /nfs/dbraw/zinc/03/15/37/512031537.db2.gz LFPKTNJKKZKJCV-UHFFFAOYSA-N -1 3 373.376 2.666 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1[O-] ZINC000411286438 512562704 /nfs/dbraw/zinc/56/27/04/512562704.db2.gz XCIGHBTYGAONLG-IBGZPJMESA-N -1 3 363.417 2.617 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000368347310 512909367 /nfs/dbraw/zinc/90/93/67/512909367.db2.gz JTAJDPKCOOMNGT-OAHLLOKOSA-N -1 3 373.359 2.736 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429637558 513428563 /nfs/dbraw/zinc/42/85/63/513428563.db2.gz SCDSIBHEGZLOFC-UHFFFAOYSA-N -1 3 354.332 2.803 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000425335257 513517614 /nfs/dbraw/zinc/51/76/14/513517614.db2.gz ZLIOCUICSKDDNU-QFBILLFUSA-N -1 3 365.433 2.543 20 30 FFEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccco1 ZINC000435425585 513579651 /nfs/dbraw/zinc/57/96/51/513579651.db2.gz DLLHWWVWLXNARP-CYBMUJFWSA-N -1 3 353.469 2.574 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000435429197 513582428 /nfs/dbraw/zinc/58/24/28/513582428.db2.gz WLGBCQNJLLCPRA-ZFWWWQNUSA-N -1 3 370.402 2.706 20 30 FFEDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432147 513583780 /nfs/dbraw/zinc/58/37/80/513583780.db2.gz LSMONPKXIMYRLR-UHFFFAOYSA-N -1 3 351.453 2.672 20 30 FFEDHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)N(C)C)cc1 ZINC000435436154 513587004 /nfs/dbraw/zinc/58/70/04/513587004.db2.gz DPLSMFKIFSOCCM-INIZCTEOSA-N -1 3 363.508 2.763 20 30 FFEDHM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435440680 513589919 /nfs/dbraw/zinc/58/99/19/513589919.db2.gz YVLYPHQFUUPUGC-GFCCVEGCSA-N -1 3 366.464 2.622 20 30 FFEDHM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc(C#N)s3)cn(C)c2c1 ZINC000435441498 513589965 /nfs/dbraw/zinc/58/99/65/513589965.db2.gz GGXRCFNHMTVJMR-UHFFFAOYSA-N -1 3 359.476 2.941 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000435579284 513624642 /nfs/dbraw/zinc/62/46/42/513624642.db2.gz KEIINEOVUGANCF-IINYFYTJSA-N -1 3 360.819 2.508 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000435598866 513631936 /nfs/dbraw/zinc/63/19/36/513631936.db2.gz QHWSKYFNNSNTGW-CABZTGNLSA-N -1 3 366.302 2.770 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCCCO1 ZINC000416456412 513780325 /nfs/dbraw/zinc/78/03/25/513780325.db2.gz MAWZEXDOBGCOQV-GXFFZTMASA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1nc2cc(C[N-]S(=O)(=O)c3ccc(C#N)o3)ccc2n1C1CC1 ZINC000416482348 513795304 /nfs/dbraw/zinc/79/53/04/513795304.db2.gz XYEDCINPEPZSOM-UHFFFAOYSA-N -1 3 356.407 2.623 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Oc1cccc(F)c1 ZINC000443348304 513945533 /nfs/dbraw/zinc/94/55/33/513945533.db2.gz ASLSPXBRNXYFSQ-OAHLLOKOSA-N -1 3 366.389 2.972 20 30 FFEDHM CC(C)(C#N)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436714025 513954300 /nfs/dbraw/zinc/95/43/00/513954300.db2.gz DSKNERURHGFSJQ-SFHVURJKSA-N -1 3 365.433 2.919 20 30 FFEDHM N#Cc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000436751582 513966856 /nfs/dbraw/zinc/96/68/56/513966856.db2.gz MRWZDGKNDQMMRJ-UHFFFAOYSA-N -1 3 369.808 2.515 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000416933645 514053196 /nfs/dbraw/zinc/05/31/96/514053196.db2.gz BEWIDVGTQUGTED-GOSISDBHSA-N -1 3 371.462 2.936 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(F)cc(C(C)=O)cc1F ZINC000444058871 514109465 /nfs/dbraw/zinc/10/94/65/514109465.db2.gz PDGANAUUDPBDJX-UHFFFAOYSA-N -1 3 366.345 2.848 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OCC ZINC000451994701 514117862 /nfs/dbraw/zinc/11/78/62/514117862.db2.gz OIHRGZFGMHLBBM-INIZCTEOSA-N -1 3 362.451 2.552 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)OCC ZINC000451994544 514118640 /nfs/dbraw/zinc/11/86/40/514118640.db2.gz OBAXAAJZBJWNBV-CQSZACIVSA-N -1 3 363.838 2.796 20 30 FFEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444297849 514184708 /nfs/dbraw/zinc/18/47/08/514184708.db2.gz VAUJFGALULJKEM-UHFFFAOYSA-N -1 3 351.366 2.707 20 30 FFEDHM CC#CCCNC(=O)Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)cn1 ZINC000432796093 514289197 /nfs/dbraw/zinc/28/91/97/514289197.db2.gz ZJRVSUYNHLCYAT-UHFFFAOYSA-N -1 3 372.450 2.558 20 30 FFEDHM CC(C)(C)C1CCC(C#N)(NC(=O)CNC(=O)c2cccc([O-])c2)CC1 ZINC000427818117 514323751 /nfs/dbraw/zinc/32/37/51/514323751.db2.gz HJQJGSPSEZSUIV-UHFFFAOYSA-N -1 3 357.454 2.737 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(OC(F)F)cc1 ZINC000428236323 514428765 /nfs/dbraw/zinc/42/87/65/514428765.db2.gz FDVZKMNEXSQKHS-SNVBAGLBSA-N -1 3 353.350 2.594 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(N2CCCC2)c1 ZINC000428406080 514468022 /nfs/dbraw/zinc/46/80/22/514468022.db2.gz OKHGGOJMDVWSAT-CQSZACIVSA-N -1 3 356.451 2.593 20 30 FFEDHM C=CCC1(CNC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CCCC1 ZINC000455479637 514547437 /nfs/dbraw/zinc/54/74/37/514547437.db2.gz OQCCRUOCBLVAJP-UHFFFAOYSA-N -1 3 371.481 2.996 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000455509247 514565662 /nfs/dbraw/zinc/56/56/62/514565662.db2.gz DEQMSIDHTPTDPU-UHFFFAOYSA-N -1 3 360.421 2.623 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000455509247 514565671 /nfs/dbraw/zinc/56/56/71/514565671.db2.gz DEQMSIDHTPTDPU-UHFFFAOYSA-N -1 3 360.421 2.623 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000508066307 514652863 /nfs/dbraw/zinc/65/28/63/514652863.db2.gz BDHCZDQJMQGNHD-GFCCVEGCSA-N -1 3 370.780 2.956 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000508087963 514662673 /nfs/dbraw/zinc/66/26/73/514662673.db2.gz IGXZXOPVAMEQFJ-NSHDSACASA-N -1 3 367.265 2.512 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c1 ZINC000461792588 514741248 /nfs/dbraw/zinc/74/12/48/514741248.db2.gz WRKLZIDHHAIPDY-CQSZACIVSA-N -1 3 356.875 2.679 20 30 FFEDHM C[C@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000461905377 514778003 /nfs/dbraw/zinc/77/80/03/514778003.db2.gz SEDZLBMRMSPJHX-NSHDSACASA-N -1 3 361.398 2.811 20 30 FFEDHM C=C(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(F)c(F)c1 ZINC000476217965 514952821 /nfs/dbraw/zinc/95/28/21/514952821.db2.gz NZWGNTUDNXHHIM-HNNXBMFYSA-N -1 3 371.361 2.940 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1cccc(Cl)c1 ZINC000489840229 514995538 /nfs/dbraw/zinc/99/55/38/514995538.db2.gz JFBRHTQMRVLAGU-MRXNPFEDSA-N -1 3 365.842 2.581 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489867821 515006710 /nfs/dbraw/zinc/00/67/10/515006710.db2.gz CLHZJDPEAUIRMX-FVMDXXJSSA-N -1 3 350.346 2.637 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccsc1 ZINC000503450794 515039682 /nfs/dbraw/zinc/03/96/82/515039682.db2.gz XWBJYKIIIIUOAC-AWEZNQCLSA-N -1 3 369.899 2.854 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1cccc(Br)c1 ZINC000503483109 515049386 /nfs/dbraw/zinc/04/93/86/515049386.db2.gz PQLYHRHQLGFADA-CYBMUJFWSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1cccc(Br)c1 ZINC000503483109 515049396 /nfs/dbraw/zinc/04/93/96/515049396.db2.gz PQLYHRHQLGFADA-CYBMUJFWSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(Br)c1 ZINC000503483109 515049403 /nfs/dbraw/zinc/04/94/03/515049403.db2.gz PQLYHRHQLGFADA-CYBMUJFWSA-N -1 3 374.173 2.854 20 30 FFEDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503484678 515050029 /nfs/dbraw/zinc/05/00/29/515050029.db2.gz HCEWHOMXLQALNT-HNNXBMFYSA-N -1 3 364.854 2.748 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000467687186 515078863 /nfs/dbraw/zinc/07/88/63/515078863.db2.gz QXBGPUPCWOOIGH-GFCCVEGCSA-N -1 3 358.442 2.725 20 30 FFEDHM N#Cc1c2c(sc1[N-]C(=O)c1cn([C@@H]3CCOC3)nn1)CCCCC2 ZINC000485613550 515113416 /nfs/dbraw/zinc/11/34/16/515113416.db2.gz MJEBIHISPHTIHG-LLVKDONJSA-N -1 3 357.439 2.694 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000503705099 515126639 /nfs/dbraw/zinc/12/66/39/515126639.db2.gz QCMGIRQSTSTEMT-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCC1 ZINC000503790556 515143270 /nfs/dbraw/zinc/14/32/70/515143270.db2.gz LYSDGWKOLGXEKV-GFCCVEGCSA-N -1 3 356.875 2.679 20 30 FFEDHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccco1 ZINC000510396865 515528403 /nfs/dbraw/zinc/52/84/03/515528403.db2.gz UQLFIJGZHPUXIJ-AAEUAGOBSA-N -1 3 353.469 2.620 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)c(F)c1 ZINC000493253031 515613483 /nfs/dbraw/zinc/61/34/83/515613483.db2.gz JCJGFTCFNWNMLT-UHFFFAOYSA-N -1 3 356.382 2.743 20 30 FFEDHM C=CCc1cc(CNC(=O)c2csc(=NCC)[n-]2)cc(OC)c1OC ZINC000494348023 515815515 /nfs/dbraw/zinc/81/55/15/515815515.db2.gz LNFVPLOMHAZMRD-UHFFFAOYSA-N -1 3 361.467 2.673 20 30 FFEDHM N#Cc1ccc(CCC(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000511280347 515850184 /nfs/dbraw/zinc/85/01/84/515850184.db2.gz HFZUSTGDSGMFGK-UHFFFAOYSA-N -1 3 369.222 2.962 20 30 FFEDHM N#CC(=C([O-])c1cccc([C@H]2CCOC2)c1)c1nnc2n1CCCCC2 ZINC000535638134 516430820 /nfs/dbraw/zinc/43/08/20/516430820.db2.gz NAJSPQWBOZPKMK-DLBZAZTESA-N -1 3 350.422 2.998 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)COc1cccc(F)c1 ZINC000513086424 516466764 /nfs/dbraw/zinc/46/67/64/516466764.db2.gz RHSOBOOEHUZGOH-LBPRGKRZSA-N -1 3 371.412 2.931 20 30 FFEDHM COc1ccc([O-])c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000535786278 516508912 /nfs/dbraw/zinc/50/89/12/516508912.db2.gz RJHLUXMYRGRVFX-UHFFFAOYSA-N -1 3 367.405 2.787 20 30 FFEDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000528553963 516526457 /nfs/dbraw/zinc/52/64/57/516526457.db2.gz PRTGUFMHGXEDOQ-QOBXEIRBSA-N -1 3 362.373 2.667 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561342485 516531637 /nfs/dbraw/zinc/53/16/37/516531637.db2.gz JAOLNZUKVWVPLT-GFCCVEGCSA-N -1 3 368.256 2.968 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)s1 ZINC000528558878 516531708 /nfs/dbraw/zinc/53/17/08/516531708.db2.gz SMZFMIXTGXXSNO-NILFDRSVSA-N -1 3 350.852 2.890 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)c1 ZINC000551128092 516572741 /nfs/dbraw/zinc/57/27/41/516572741.db2.gz LIIHOTHIONKJPT-UHFFFAOYSA-N -1 3 373.768 2.687 20 30 FFEDHM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000544100991 516581830 /nfs/dbraw/zinc/58/18/30/516581830.db2.gz FTOKJSJLSKVFTF-MRXNPFEDSA-N -1 3 366.483 2.736 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000561555617 516650030 /nfs/dbraw/zinc/65/00/30/516650030.db2.gz IEPZQVRRIXOODT-BMLIUANNSA-N -1 3 364.373 2.778 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1cccc(F)c1 ZINC000544723065 516894754 /nfs/dbraw/zinc/89/47/54/516894754.db2.gz IYQZTPYWQDIUGV-OAHLLOKOSA-N -1 3 354.447 2.986 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000544724775 516896307 /nfs/dbraw/zinc/89/63/07/516896307.db2.gz HAEBWNMPHMJFIW-BBRMVZONSA-N -1 3 354.447 2.905 20 30 FFEDHM Cc1ccnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000555414229 516916683 /nfs/dbraw/zinc/91/66/83/516916683.db2.gz GKBDHWBJKVPRPB-UHFFFAOYSA-N -1 3 355.341 2.759 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c1 ZINC000562228505 516968159 /nfs/dbraw/zinc/96/81/59/516968159.db2.gz ZTXNUGMHMGSPLU-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)C(C)(C)C(=O)N4)nc1-2 ZINC000532858461 517171776 /nfs/dbraw/zinc/17/17/76/517171776.db2.gz DQNVGHPAIDQGQG-LBPRGKRZSA-N -1 3 359.389 2.986 20 30 FFEDHM CCN(CCC#N)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000515492501 517377646 /nfs/dbraw/zinc/37/76/46/517377646.db2.gz MLGSTAYRKQEDKJ-UHFFFAOYSA-N -1 3 353.300 2.802 20 30 FFEDHM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000559836256 517447295 /nfs/dbraw/zinc/44/72/95/517447295.db2.gz JKJNTDSJUIEQKB-JOCHJYFZSA-N -1 3 368.867 2.891 20 30 FFEDHM C=CCOc1ccccc1C(=O)Nc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000516108665 517569052 /nfs/dbraw/zinc/56/90/52/517569052.db2.gz LTIFQDGOVVDFDT-HXUWFJFHSA-N -1 3 365.389 2.558 20 30 FFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000530152961 517595454 /nfs/dbraw/zinc/59/54/54/517595454.db2.gz HHHMUWRQYQLJMJ-LLVKDONJSA-N -1 3 366.361 2.810 20 30 FFEDHM C=CC[C@H](CO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000542702564 517696404 /nfs/dbraw/zinc/69/64/04/517696404.db2.gz JXJOITYJUAYNDS-GFCCVEGCSA-N -1 3 358.872 2.679 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(OCC(F)F)nc3)nc1-2 ZINC000534187599 517779886 /nfs/dbraw/zinc/77/98/86/517779886.db2.gz GMEYUGBCNVGELB-LLVKDONJSA-N -1 3 357.320 2.795 20 30 FFEDHM CC(C)c1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000553554882 517781003 /nfs/dbraw/zinc/78/10/03/517781003.db2.gz UEKVQHJPKKXRRK-AWEZNQCLSA-N -1 3 359.451 2.822 20 30 FFEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]C3(c4cccc(C#N)c4)CC3)cn21 ZINC000517018613 517979401 /nfs/dbraw/zinc/97/94/01/517979401.db2.gz HBVGTVCTENCXBD-ZDUSSCGKSA-N -1 3 356.451 2.620 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO[C@@H]1C1CC1 ZINC000547340845 518088275 /nfs/dbraw/zinc/08/82/75/518088275.db2.gz YZSVROLAMDUWPB-CVEARBPZSA-N -1 3 354.859 2.695 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C(=O)NC4CC4)c3)nc1-2 ZINC000578718038 518338574 /nfs/dbraw/zinc/33/85/74/518338574.db2.gz KQVQJBYMZLBBCD-OAHLLOKOSA-N -1 3 359.389 2.649 20 30 FFEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccn1 ZINC000575923214 518345769 /nfs/dbraw/zinc/34/57/69/518345769.db2.gz GJMBNWZJBQPQKJ-GOSISDBHSA-N -1 3 371.462 2.793 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1 ZINC000579061195 518498928 /nfs/dbraw/zinc/49/89/28/518498928.db2.gz DTZNIROOLAUBAX-UHFFFAOYSA-N -1 3 365.798 2.569 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000582060226 518569545 /nfs/dbraw/zinc/56/95/45/518569545.db2.gz YOYYQKPYJXSIJI-XIKOKIGWSA-N -1 3 360.410 2.833 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000582060224 518570194 /nfs/dbraw/zinc/57/01/94/518570194.db2.gz YOYYQKPYJXSIJI-KZULUSFZSA-N -1 3 360.410 2.833 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccc(O)cc1 ZINC000588115766 518727953 /nfs/dbraw/zinc/72/79/53/518727953.db2.gz FARCLJFVQOREAU-UHFFFAOYSA-N -1 3 367.224 2.505 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1C#N ZINC000576749759 518744003 /nfs/dbraw/zinc/74/40/03/518744003.db2.gz MTKKZKKYGNBUOR-CYBMUJFWSA-N -1 3 370.478 2.631 20 30 FFEDHM CC(C)c1nc(C2([N-]S(=O)(=O)CCC(C)(C)C#N)CCCC2)no1 ZINC000582598582 518831143 /nfs/dbraw/zinc/83/11/43/518831143.db2.gz CRIYCMZYQOSKAG-UHFFFAOYSA-N -1 3 354.476 2.822 20 30 FFEDHM Cc1nc([N-]C(=O)c2ccoc2C(F)(F)F)n(-c2ccc(C#N)cc2)n1 ZINC000589777460 519080100 /nfs/dbraw/zinc/08/01/00/519080100.db2.gz KEZYICKCFVLDFH-UHFFFAOYSA-N -1 3 361.283 2.733 20 30 FFEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000566229465 519380969 /nfs/dbraw/zinc/38/09/69/519380969.db2.gz SHJYELZXUJNKBU-UHFFFAOYSA-N -1 3 373.478 2.765 20 30 FFEDHM CC(C)([N-]S(=O)(=O)CC1(C#N)CCCC1)c1cc(C(F)(F)F)on1 ZINC000583788532 519432464 /nfs/dbraw/zinc/43/24/64/519432464.db2.gz NJWJNOZWDNAUOP-UHFFFAOYSA-N -1 3 365.377 2.932 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594408223 519947180 /nfs/dbraw/zinc/94/71/80/519947180.db2.gz TXDFZVRHUMYXES-UHFFFAOYSA-N -1 3 359.389 2.579 20 30 FFEDHM N#CC1CCC(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000603045481 520044194 /nfs/dbraw/zinc/04/41/94/520044194.db2.gz UEKQGIRAKMHRNI-UHFFFAOYSA-N -1 3 363.771 2.972 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@]1(C)CCCO1 ZINC000594763339 520141762 /nfs/dbraw/zinc/14/17/62/520141762.db2.gz OVANHJDHJXZTHO-INIZCTEOSA-N -1 3 350.465 2.929 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1C[C@@H](O)C1(C)C ZINC000594767129 520146124 /nfs/dbraw/zinc/14/61/24/520146124.db2.gz LTOQRFKULGBRCO-UONOGXRCSA-N -1 3 350.465 2.519 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CO)C(C)(C)C ZINC000594781937 520156634 /nfs/dbraw/zinc/15/66/34/520156634.db2.gz XPAYIWJDQVBURS-AWEZNQCLSA-N -1 3 352.481 2.767 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CCOCC1 ZINC000594845900 520186346 /nfs/dbraw/zinc/18/63/46/520186346.db2.gz OENJVMFZHJWYDI-UHFFFAOYSA-N -1 3 373.858 2.530 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(COCC(F)(F)F)no1 ZINC000612874368 520198104 /nfs/dbraw/zinc/19/81/04/520198104.db2.gz QGQQXUABVALGQV-UHFFFAOYSA-N -1 3 356.304 2.523 20 30 FFEDHM Cn1ncc(C2CCC2)c1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000594869239 520198652 /nfs/dbraw/zinc/19/86/52/520198652.db2.gz BUBIJHBGWAFNID-UHFFFAOYSA-N -1 3 364.858 2.691 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000617036097 520294919 /nfs/dbraw/zinc/29/49/19/520294919.db2.gz ZDFOJBJMLSRNLB-ZBFHGGJFSA-N -1 3 368.474 2.745 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000617035829 520295596 /nfs/dbraw/zinc/29/55/96/520295596.db2.gz SYTVQDPKZOUZPL-LZWOXQAQSA-N -1 3 368.474 2.744 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000617039471 520297515 /nfs/dbraw/zinc/29/75/15/520297515.db2.gz HSCAFAXEAIAMTK-JOTOCRJQSA-N -1 3 355.438 2.606 20 30 FFEDHM C=CC[C@@H]1CCCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OCC)C1 ZINC000595124739 520307433 /nfs/dbraw/zinc/30/74/33/520307433.db2.gz UNWZQYIHTPCURO-CYBMUJFWSA-N -1 3 364.467 2.986 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600529434 520308725 /nfs/dbraw/zinc/30/87/25/520308725.db2.gz NNBIMQJISSMLAJ-ZDUSSCGKSA-N -1 3 351.403 2.575 20 30 FFEDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000595355469 520425287 /nfs/dbraw/zinc/42/52/87/520425287.db2.gz UPWZGBQDCSDDEK-IRXDYDNUSA-N -1 3 350.484 2.748 20 30 FFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)s1 ZINC000613344361 520456332 /nfs/dbraw/zinc/45/63/32/520456332.db2.gz ABLVMECFSZGGJC-ZUZCIYMTSA-N -1 3 357.501 2.552 20 30 FFEDHM C=C1CC(C)(C(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)C1 ZINC000601536252 520829969 /nfs/dbraw/zinc/82/99/69/520829969.db2.gz XBKSUEQCPJKJIL-UHFFFAOYSA-N -1 3 354.410 2.621 20 30 FFEDHM C=C1CC(C)(C(=O)NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)C1 ZINC000601536252 520829974 /nfs/dbraw/zinc/82/99/74/520829974.db2.gz XBKSUEQCPJKJIL-UHFFFAOYSA-N -1 3 354.410 2.621 20 30 FFEDHM COc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000593352336 520931951 /nfs/dbraw/zinc/93/19/51/520931951.db2.gz GKLJMUVIOBHNLP-UHFFFAOYSA-N -1 3 365.433 2.667 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F ZINC000611019415 520949468 /nfs/dbraw/zinc/94/94/68/520949468.db2.gz BORASJLYMCVMLB-AWEZNQCLSA-N -1 3 372.780 2.502 20 30 FFEDHM C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611021798 520950426 /nfs/dbraw/zinc/95/04/26/520950426.db2.gz HRCIROUPKBMOOC-LRDDRELGSA-N -1 3 364.854 2.655 20 30 FFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C12CCC2 ZINC000611023245 520950823 /nfs/dbraw/zinc/95/08/23/520950823.db2.gz FBDJRJPZPCGSKL-LSDHHAIUSA-N -1 3 354.859 2.838 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H]2CCCO[C@@H]21 ZINC000611024995 520952260 /nfs/dbraw/zinc/95/22/60/520952260.db2.gz VDBNTBXIBKVSAI-CFVMTHIKSA-N -1 3 354.859 2.694 20 30 FFEDHM N#Cc1ccc2c(c1)N(C(=O)c1c[n-]nc1-c1ccc3c(c1)OCCO3)CC2 ZINC000611141217 521007222 /nfs/dbraw/zinc/00/72/22/521007222.db2.gz UETYWGARQNYODB-UHFFFAOYSA-N -1 3 372.384 2.922 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000593539589 521062231 /nfs/dbraw/zinc/06/22/31/521062231.db2.gz XWMQEAGQYSTAPY-QGZVFWFLSA-N -1 3 372.446 2.680 20 30 FFEDHM C[C@@H](O)[C@@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000593583628 521090923 /nfs/dbraw/zinc/09/09/23/521090923.db2.gz WLWQPLNJWDFDAH-CXAGYDPISA-N -1 3 364.492 2.528 20 30 FFEDHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccco1 ZINC000593597570 521098899 /nfs/dbraw/zinc/09/88/99/521098899.db2.gz AOLZIRQKUJDDSY-NEPJUHHUSA-N -1 3 353.469 2.620 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCCC1 ZINC000593624853 521116030 /nfs/dbraw/zinc/11/60/30/521116030.db2.gz YXJBXMJDKZZANI-UHFFFAOYSA-N -1 3 361.236 2.950 20 30 FFEDHM C[C@]1([N-]S(=O)(=O)c2ccsc2C#N)CCN(Cc2ccccc2)C1 ZINC000593660962 521137759 /nfs/dbraw/zinc/13/77/59/521137759.db2.gz UASSVSIBWOSLQQ-KRWDZBQOSA-N -1 3 361.492 2.563 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594069585 521387396 /nfs/dbraw/zinc/38/73/96/521387396.db2.gz CAPLQGAMWFUJCA-IEBWSBKVSA-N -1 3 357.454 2.672 20 30 FFEDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000619488319 521594949 /nfs/dbraw/zinc/59/49/49/521594949.db2.gz QLICLDMUXCGQPD-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM C=C(C)Cn1c([C@H](C)CC)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634373007 523377983 /nfs/dbraw/zinc/37/79/83/523377983.db2.gz JWHXENVDAJHMNA-OAHLLOKOSA-N -1 3 357.506 2.996 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735977705 598858273 /nfs/dbraw/zinc/85/82/73/598858273.db2.gz WUDQQWYOEFYQNV-ZDUSSCGKSA-N -1 3 363.377 2.905 20 30 FFEDHM C[C@@H](CC#N)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735977705 598858274 /nfs/dbraw/zinc/85/82/74/598858274.db2.gz WUDQQWYOEFYQNV-ZDUSSCGKSA-N -1 3 363.377 2.905 20 30 FFEDHM COc1ccc(CCC(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821790098 607252754 /nfs/dbraw/zinc/25/27/54/607252754.db2.gz HXBUADITJUONQF-UHFFFAOYSA-N -1 3 350.426 2.974 20 30 FFEDHM COc1ccc(CCC(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821790098 607252755 /nfs/dbraw/zinc/25/27/55/607252755.db2.gz HXBUADITJUONQF-UHFFFAOYSA-N -1 3 350.426 2.974 20 30 FFEDHM Cc1ccccc1OCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737431547 598913938 /nfs/dbraw/zinc/91/39/38/598913938.db2.gz JXYPSZZVEAHILP-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM Cc1ccccc1OCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737431547 598913940 /nfs/dbraw/zinc/91/39/40/598913940.db2.gz JXYPSZZVEAHILP-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737365604 598915285 /nfs/dbraw/zinc/91/52/85/598915285.db2.gz KYIAVFJCNDIZIP-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737365604 598915286 /nfs/dbraw/zinc/91/52/86/598915286.db2.gz KYIAVFJCNDIZIP-UHFFFAOYSA-N -1 3 362.393 2.845 20 30 FFEDHM N#Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1-c1nnn[n-]1 ZINC000737720166 598920944 /nfs/dbraw/zinc/92/09/44/598920944.db2.gz ZAOPZUZMXJTGJV-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1-c1nn[n-]n1 ZINC000737720166 598920945 /nfs/dbraw/zinc/92/09/45/598920945.db2.gz ZAOPZUZMXJTGJV-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC000737708728 598928554 /nfs/dbraw/zinc/92/85/54/598928554.db2.gz IJDQVUUOQKVDSF-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC000737708728 598928556 /nfs/dbraw/zinc/92/85/56/598928556.db2.gz IJDQVUUOQKVDSF-UHFFFAOYSA-N -1 3 369.728 2.552 20 30 FFEDHM C=CCNc1nnc(Sc2ncc(-c3nnn[n-]3)cc2Cl)s1 ZINC000735431638 598935204 /nfs/dbraw/zinc/93/52/04/598935204.db2.gz HERQSCLUYAVGOM-UHFFFAOYSA-N -1 3 352.836 2.516 20 30 FFEDHM C=CCNc1nnc(Sc2ncc(-c3nn[n-]n3)cc2Cl)s1 ZINC000735431638 598935205 /nfs/dbraw/zinc/93/52/05/598935205.db2.gz HERQSCLUYAVGOM-UHFFFAOYSA-N -1 3 352.836 2.516 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCCCO2 ZINC000819773184 607254231 /nfs/dbraw/zinc/25/42/31/607254231.db2.gz RCKPYPBBBYUBJJ-UHFFFAOYSA-N -1 3 364.409 2.542 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCCO2 ZINC000819773184 607254232 /nfs/dbraw/zinc/25/42/32/607254232.db2.gz RCKPYPBBBYUBJJ-UHFFFAOYSA-N -1 3 364.409 2.542 20 30 FFEDHM Cc1cccc2c1ncc(C#N)c2NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822334735 599048167 /nfs/dbraw/zinc/04/81/67/599048167.db2.gz FOHSPZWLJLGFGE-UHFFFAOYSA-N -1 3 371.404 2.508 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737080566 599151194 /nfs/dbraw/zinc/15/11/94/599151194.db2.gz CSEFPTAGTOWIDR-DJWKRKHSSA-N -1 3 364.361 2.543 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737080566 599151196 /nfs/dbraw/zinc/15/11/96/599151196.db2.gz CSEFPTAGTOWIDR-DJWKRKHSSA-N -1 3 364.361 2.543 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1C#N ZINC000737081669 599156061 /nfs/dbraw/zinc/15/60/61/599156061.db2.gz RCITVZIRVKKKGH-FNORWQNLSA-N -1 3 374.404 2.699 20 30 FFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1C#N ZINC000737081669 599156064 /nfs/dbraw/zinc/15/60/64/599156064.db2.gz RCITVZIRVKKKGH-FNORWQNLSA-N -1 3 374.404 2.699 20 30 FFEDHM C#CCOc1ccccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819710226 607291251 /nfs/dbraw/zinc/29/12/51/607291251.db2.gz ZLMVMLGHWQWXKT-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM C#CCOc1ccccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819710226 607291252 /nfs/dbraw/zinc/29/12/52/607291252.db2.gz ZLMVMLGHWQWXKT-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM N#Cc1c(F)cccc1NCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000737706750 598236390 /nfs/dbraw/zinc/23/63/90/598236390.db2.gz YZYQZSWUVBNAHI-UHFFFAOYSA-N -1 3 355.352 2.931 20 30 FFEDHM N#Cc1c(F)cccc1NCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000737706750 598236391 /nfs/dbraw/zinc/23/63/91/598236391.db2.gz YZYQZSWUVBNAHI-UHFFFAOYSA-N -1 3 355.352 2.931 20 30 FFEDHM CCn1cc(C(C)=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000736719747 598314333 /nfs/dbraw/zinc/31/43/33/598314333.db2.gz SFNJVWUSVDVBND-UHFFFAOYSA-N -1 3 364.335 2.938 20 30 FFEDHM CCn1cc(C(C)=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000736719747 598314334 /nfs/dbraw/zinc/31/43/34/598314334.db2.gz SFNJVWUSVDVBND-UHFFFAOYSA-N -1 3 364.335 2.938 20 30 FFEDHM N#Cc1cccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737730453 598323365 /nfs/dbraw/zinc/32/33/65/598323365.db2.gz LBGAUFNTBIRXAG-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM N#Cc1cccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737730453 598323366 /nfs/dbraw/zinc/32/33/66/598323366.db2.gz LBGAUFNTBIRXAG-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737080558 598392757 /nfs/dbraw/zinc/39/27/57/598392757.db2.gz CQYPCQHLUSTINY-FNORWQNLSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737080558 598392758 /nfs/dbraw/zinc/39/27/58/598392758.db2.gz CQYPCQHLUSTINY-FNORWQNLSA-N -1 3 351.322 2.680 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000736191211 598489696 /nfs/dbraw/zinc/48/96/96/598489696.db2.gz YFEJZWXZUOKBOD-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000736191211 598489697 /nfs/dbraw/zinc/48/96/97/598489697.db2.gz YFEJZWXZUOKBOD-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391355 598660043 /nfs/dbraw/zinc/66/00/43/598660043.db2.gz QQNMJQOQFIHNBN-AWEZNQCLSA-N -1 3 361.405 2.668 20 30 FFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419507 598756408 /nfs/dbraw/zinc/75/64/08/598756408.db2.gz UAHKZVBEKZMLOK-UHFFFAOYSA-N -1 3 361.471 2.624 20 30 FFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419507 598756409 /nfs/dbraw/zinc/75/64/09/598756409.db2.gz UAHKZVBEKZMLOK-UHFFFAOYSA-N -1 3 361.471 2.624 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1csc(C)n1 ZINC000735420683 598803064 /nfs/dbraw/zinc/80/30/64/598803064.db2.gz PUWIGAJGUFKCQN-UHFFFAOYSA-N -1 3 368.466 2.779 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1csc(C)n1 ZINC000735420683 598803065 /nfs/dbraw/zinc/80/30/65/598803065.db2.gz PUWIGAJGUFKCQN-UHFFFAOYSA-N -1 3 368.466 2.779 20 30 FFEDHM N#Cc1cc([N+](=O)[O-])ccc1N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737708382 598816084 /nfs/dbraw/zinc/81/60/84/598816084.db2.gz CYPQXKNGYAOAPS-UHFFFAOYSA-N -1 3 361.365 2.816 20 30 FFEDHM N#Cc1cc([N+](=O)[O-])ccc1N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737708382 598816085 /nfs/dbraw/zinc/81/60/85/598816085.db2.gz CYPQXKNGYAOAPS-UHFFFAOYSA-N -1 3 361.365 2.816 20 30 FFEDHM c1ccc(OCCCNN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000823792259 599340869 /nfs/dbraw/zinc/34/08/69/599340869.db2.gz QYZVCQTUDALPLL-UHFFFAOYSA-N -1 3 362.437 2.966 20 30 FFEDHM c1ccc(OCCCNN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000823792259 599340871 /nfs/dbraw/zinc/34/08/71/599340871.db2.gz QYZVCQTUDALPLL-UHFFFAOYSA-N -1 3 362.437 2.966 20 30 FFEDHM N#Cc1ccccc1S[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822842651 599351185 /nfs/dbraw/zinc/35/11/85/599351185.db2.gz RXHFSXORRKAKQD-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1ccccc1S[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822842651 599351186 /nfs/dbraw/zinc/35/11/86/599351186.db2.gz RXHFSXORRKAKQD-MRXNPFEDSA-N -1 3 362.418 2.636 20 30 FFEDHM C=C(Br)CNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000819718920 599496935 /nfs/dbraw/zinc/49/69/35/599496935.db2.gz URODUPSCODHSKR-UHFFFAOYSA-N -1 3 363.194 2.605 20 30 FFEDHM C=C(Br)CNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000819718920 599496933 /nfs/dbraw/zinc/49/69/33/599496933.db2.gz URODUPSCODHSKR-UHFFFAOYSA-N -1 3 363.194 2.605 20 30 FFEDHM C=CCOCCCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819759560 599628306 /nfs/dbraw/zinc/62/83/06/599628306.db2.gz ZXXXMCKQIQPXGD-UHFFFAOYSA-N -1 3 370.438 2.912 20 30 FFEDHM C=CCOCCCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000819759560 599628307 /nfs/dbraw/zinc/62/83/07/599628307.db2.gz ZXXXMCKQIQPXGD-UHFFFAOYSA-N -1 3 370.438 2.912 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1-c1nnn[n-]1 ZINC000822829914 599631273 /nfs/dbraw/zinc/63/12/73/599631273.db2.gz OVQGZOWRRKDNGG-AWEZNQCLSA-N -1 3 368.447 2.769 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1-c1nn[n-]n1 ZINC000822829914 599631274 /nfs/dbraw/zinc/63/12/74/599631274.db2.gz OVQGZOWRRKDNGG-AWEZNQCLSA-N -1 3 368.447 2.769 20 30 FFEDHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820248987 599689608 /nfs/dbraw/zinc/68/96/08/599689608.db2.gz QJGSEANAWZAVKI-ZDUSSCGKSA-N -1 3 362.393 2.782 20 30 FFEDHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820248987 599689609 /nfs/dbraw/zinc/68/96/09/599689609.db2.gz QJGSEANAWZAVKI-ZDUSSCGKSA-N -1 3 362.393 2.782 20 30 FFEDHM COc1ccc(C#N)cc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821770487 607412964 /nfs/dbraw/zinc/41/29/64/607412964.db2.gz VEWPNPPRMYDTMF-CLFYSBASSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1ccc(C#N)cc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821770487 607412966 /nfs/dbraw/zinc/41/29/66/607412966.db2.gz VEWPNPPRMYDTMF-CLFYSBASSA-N -1 3 361.361 2.504 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826386477 607424051 /nfs/dbraw/zinc/42/40/51/607424051.db2.gz GVZFVMWUSKAKLV-CMDGGOBGSA-N -1 3 356.389 2.557 20 30 FFEDHM N#Cc1cccc(C2(NC(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826386477 607424052 /nfs/dbraw/zinc/42/40/52/607424052.db2.gz GVZFVMWUSKAKLV-CMDGGOBGSA-N -1 3 356.389 2.557 20 30 FFEDHM CC(C)N(CCC(=O)[O-])CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000736466455 600219096 /nfs/dbraw/zinc/21/90/96/600219096.db2.gz YGTPYOKHBKBQFR-UHFFFAOYSA-N -1 3 351.834 2.772 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826176986 607430426 /nfs/dbraw/zinc/43/04/26/607430426.db2.gz MUUFFHBJIVZAOP-UHFFFAOYSA-N -1 3 369.768 2.928 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826176986 607430427 /nfs/dbraw/zinc/43/04/27/607430427.db2.gz MUUFFHBJIVZAOP-UHFFFAOYSA-N -1 3 369.768 2.928 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821708673 607459292 /nfs/dbraw/zinc/45/92/92/607459292.db2.gz VWZQTUNYQJDDOY-NTUHNPAUSA-N -1 3 366.352 2.982 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821708673 607459293 /nfs/dbraw/zinc/45/92/93/607459293.db2.gz VWZQTUNYQJDDOY-NTUHNPAUSA-N -1 3 366.352 2.982 20 30 FFEDHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(N2CCOCC2)c1 ZINC000832933873 601560793 /nfs/dbraw/zinc/56/07/93/601560793.db2.gz KAUFSUWCAKPQLO-FQEVSTJZSA-N -1 3 365.433 2.619 20 30 FFEDHM COc1cc(CN(CC(=O)[O-])Cc2ccc(F)c(C#N)c2)cc(OC)c1 ZINC000831989703 602235706 /nfs/dbraw/zinc/23/57/06/602235706.db2.gz LLEMFWCWQVMVDO-UHFFFAOYSA-N -1 3 358.369 2.801 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831065846 604223283 /nfs/dbraw/zinc/22/32/83/604223283.db2.gz SJZHRDJKLUAYDJ-LZWOXQAQSA-N -1 3 365.389 2.923 20 30 FFEDHM Cn1cc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC000833948030 605587807 /nfs/dbraw/zinc/58/78/07/605587807.db2.gz FEZTWVJOTIOHDI-MSOLQXFVSA-N -1 3 365.437 2.675 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823899568 607769449 /nfs/dbraw/zinc/76/94/49/607769449.db2.gz YHANLDYCQZNLRS-NSHDSACASA-N -1 3 370.438 2.910 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823899568 607769450 /nfs/dbraw/zinc/76/94/50/607769450.db2.gz YHANLDYCQZNLRS-NSHDSACASA-N -1 3 370.438 2.910 20 30 FFEDHM Cc1ccc(C)c(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822232110 606203975 /nfs/dbraw/zinc/20/39/75/606203975.db2.gz UDOOWARYCVBSHH-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM Cc1ccc(C)c(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822232110 606203976 /nfs/dbraw/zinc/20/39/76/606203976.db2.gz UDOOWARYCVBSHH-UHFFFAOYSA-N -1 3 357.468 2.866 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1NC(C)=O ZINC000821768925 606305821 /nfs/dbraw/zinc/30/58/21/606305821.db2.gz BARSYTVQAJBUKG-SNAWJCMRSA-N -1 3 369.406 2.791 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1NC(C)=O ZINC000821768925 606305823 /nfs/dbraw/zinc/30/58/23/606305823.db2.gz BARSYTVQAJBUKG-SNAWJCMRSA-N -1 3 369.406 2.791 20 30 FFEDHM C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820555735 606326913 /nfs/dbraw/zinc/32/69/13/606326913.db2.gz OTGBEZHMIDKPDL-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1cccc(C#N)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820555735 606326915 /nfs/dbraw/zinc/32/69/15/606326915.db2.gz OTGBEZHMIDKPDL-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM CCOC(=O)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)o1 ZINC000821342417 606338599 /nfs/dbraw/zinc/33/85/99/606338599.db2.gz BWOSYPZNCQMNQB-ZRDIBKRKSA-N -1 3 364.361 2.849 20 30 FFEDHM CCOC(=O)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)o1 ZINC000821342417 606338601 /nfs/dbraw/zinc/33/86/01/606338601.db2.gz BWOSYPZNCQMNQB-ZRDIBKRKSA-N -1 3 364.361 2.849 20 30 FFEDHM CON=Cc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821697588 606398667 /nfs/dbraw/zinc/39/86/67/606398667.db2.gz GRZHBSWGCCUZCG-LBPRGKRZSA-N -1 3 351.366 2.765 20 30 FFEDHM CON=Cc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821697588 606398669 /nfs/dbraw/zinc/39/86/69/606398669.db2.gz GRZHBSWGCCUZCG-LBPRGKRZSA-N -1 3 351.366 2.765 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822801826 606445481 /nfs/dbraw/zinc/44/54/81/606445481.db2.gz PDUDOTYNFAMRRH-RTBURBONSA-N -1 3 372.432 2.708 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822801826 606445482 /nfs/dbraw/zinc/44/54/82/606445482.db2.gz PDUDOTYNFAMRRH-RTBURBONSA-N -1 3 372.432 2.708 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000821765365 606596659 /nfs/dbraw/zinc/59/66/59/606596659.db2.gz BITWDYLXSVTMLQ-UHFFFAOYSA-N -1 3 372.335 2.960 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000821765365 606596661 /nfs/dbraw/zinc/59/66/61/606596661.db2.gz BITWDYLXSVTMLQ-UHFFFAOYSA-N -1 3 372.335 2.960 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000820843450 606614062 /nfs/dbraw/zinc/61/40/62/606614062.db2.gz ZQUHZKLUZDUDHP-HNNXBMFYSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000820843450 606614064 /nfs/dbraw/zinc/61/40/64/606614064.db2.gz ZQUHZKLUZDUDHP-HNNXBMFYSA-N -1 3 363.377 2.905 20 30 FFEDHM CCOc1cc(C#N)ccc1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821394825 606666107 /nfs/dbraw/zinc/66/61/07/606666107.db2.gz ODMATWHAGYWGQO-UHFFFAOYSA-N -1 3 371.303 2.634 20 30 FFEDHM CCOc1cc(C#N)ccc1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821394825 606666108 /nfs/dbraw/zinc/66/61/08/606666108.db2.gz ODMATWHAGYWGQO-UHFFFAOYSA-N -1 3 371.303 2.634 20 30 FFEDHM C=C[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819729153 606766390 /nfs/dbraw/zinc/76/63/90/606766390.db2.gz DLWZKCMFWBQXFA-SNVBAGLBSA-N -1 3 355.427 2.610 20 30 FFEDHM C=C[C@@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819729153 606766392 /nfs/dbraw/zinc/76/63/92/606766392.db2.gz DLWZKCMFWBQXFA-SNVBAGLBSA-N -1 3 355.427 2.610 20 30 FFEDHM COc1ccc2c(c1)C(=NNc1cccc(-c3nnn[n-]3)c1)CCCO2 ZINC000821849735 606836392 /nfs/dbraw/zinc/83/63/92/606836392.db2.gz OVAMDCVYNUQBJW-UHFFFAOYSA-N -1 3 350.382 2.864 20 30 FFEDHM COc1ccc2c(c1)C(=NNc1cccc(-c3nn[n-]n3)c1)CCCO2 ZINC000821849735 606836393 /nfs/dbraw/zinc/83/63/93/606836393.db2.gz OVAMDCVYNUQBJW-UHFFFAOYSA-N -1 3 350.382 2.864 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819759414 607076643 /nfs/dbraw/zinc/07/66/43/607076643.db2.gz XCGHJEHBQBUXCT-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819759414 607076645 /nfs/dbraw/zinc/07/66/45/607076645.db2.gz XCGHJEHBQBUXCT-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000821305102 607100960 /nfs/dbraw/zinc/10/09/60/607100960.db2.gz XBVSWIQBKJIRPW-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM N#Cc1ccc(SCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822832847 607247074 /nfs/dbraw/zinc/24/70/74/607247074.db2.gz GMHGOLAOJMNQCW-UHFFFAOYSA-N -1 3 355.354 2.575 20 30 FFEDHM N#Cc1ccc(SCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822832847 607247075 /nfs/dbraw/zinc/24/70/75/607247075.db2.gz GMHGOLAOJMNQCW-UHFFFAOYSA-N -1 3 355.354 2.575 20 30 FFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000826010675 607843019 /nfs/dbraw/zinc/84/30/19/607843019.db2.gz NXLGZCIMFNVRAB-DAXSKMNVSA-N -1 3 365.418 2.733 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC(=O)N2C ZINC000823958328 607843401 /nfs/dbraw/zinc/84/34/01/607843401.db2.gz JKEZZLGSDJGDGI-UHFFFAOYSA-N -1 3 361.409 2.612 20 30 FFEDHM C=CCn1c(C2CC2)nn(CN(C)c2ccccc2-c2nnn[n-]2)c1=S ZINC000823937268 607846610 /nfs/dbraw/zinc/84/66/10/607846610.db2.gz PDLSRDNHYXSFIC-UHFFFAOYSA-N -1 3 368.470 2.751 20 30 FFEDHM C=CCn1c(C2CC2)nn(CN(C)c2ccccc2-c2nn[n-]n2)c1=S ZINC000823937268 607846611 /nfs/dbraw/zinc/84/66/11/607846611.db2.gz PDLSRDNHYXSFIC-UHFFFAOYSA-N -1 3 368.470 2.751 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000826402345 607884622 /nfs/dbraw/zinc/88/46/22/607884622.db2.gz RHDFWLVHNAZSRH-FNORWQNLSA-N -1 3 361.283 2.882 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000826402345 607884623 /nfs/dbraw/zinc/88/46/23/607884623.db2.gz RHDFWLVHNAZSRH-FNORWQNLSA-N -1 3 361.283 2.882 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826187422 607915625 /nfs/dbraw/zinc/91/56/25/607915625.db2.gz PIGMLKNTEUKDHQ-DAXSKMNVSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826187422 607915626 /nfs/dbraw/zinc/91/56/26/607915626.db2.gz PIGMLKNTEUKDHQ-DAXSKMNVSA-N -1 3 354.341 2.919 20 30 FFEDHM N#CCn1c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc2ccccc21 ZINC000826382744 607950246 /nfs/dbraw/zinc/95/02/46/607950246.db2.gz SHUMKWYNZBXYMU-UHFFFAOYSA-N -1 3 369.388 2.548 20 30 FFEDHM N#CCn1c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc2ccccc21 ZINC000826382744 607950247 /nfs/dbraw/zinc/95/02/47/607950247.db2.gz SHUMKWYNZBXYMU-UHFFFAOYSA-N -1 3 369.388 2.548 20 30 FFEDHM C#CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000823838239 607959973 /nfs/dbraw/zinc/95/99/73/607959973.db2.gz MPPGRQAWXDNLJL-GOSISDBHSA-N -1 3 372.432 2.920 20 30 FFEDHM C#CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000823838239 607959974 /nfs/dbraw/zinc/95/99/74/607959974.db2.gz MPPGRQAWXDNLJL-GOSISDBHSA-N -1 3 372.432 2.920 20 30 FFEDHM N#Cc1cc2c(nc1NCCOc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000826384550 608291339 /nfs/dbraw/zinc/29/13/39/608291339.db2.gz ZWSDMGQPBAYGTP-UHFFFAOYSA-N -1 3 361.409 2.503 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826159102 608389093 /nfs/dbraw/zinc/38/90/93/608389093.db2.gz QSAQQCLXNQJDQA-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826159102 608389094 /nfs/dbraw/zinc/38/90/94/608389094.db2.gz QSAQQCLXNQJDQA-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1-c1nnn[n-]1 ZINC000826385385 608494979 /nfs/dbraw/zinc/49/49/79/608494979.db2.gz JTEDGEQCYRRFLI-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1-c1nn[n-]n1 ZINC000826385385 608494981 /nfs/dbraw/zinc/49/49/81/608494981.db2.gz JTEDGEQCYRRFLI-UHFFFAOYSA-N -1 3 359.324 2.678 20 30 FFEDHM N#Cc1ccc(OC2CCC(Nc3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826386267 608557070 /nfs/dbraw/zinc/55/70/70/608557070.db2.gz WSNDFKLXCZYIHZ-UHFFFAOYSA-N -1 3 361.409 2.935 20 30 FFEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824390883 608750502 /nfs/dbraw/zinc/75/05/02/608750502.db2.gz FDBOTEVXJGMZNN-NSHDSACASA-N -1 3 359.434 2.958 20 30 FFEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824390883 608750505 /nfs/dbraw/zinc/75/05/05/608750505.db2.gz FDBOTEVXJGMZNN-NSHDSACASA-N -1 3 359.434 2.958 20 30 FFEDHM CON=Cc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826166290 609155207 /nfs/dbraw/zinc/15/52/07/609155207.db2.gz DONIHYZPSJQADU-UHFFFAOYSA-N -1 3 371.784 2.857 20 30 FFEDHM CON=Cc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826166290 609155208 /nfs/dbraw/zinc/15/52/08/609155208.db2.gz DONIHYZPSJQADU-UHFFFAOYSA-N -1 3 371.784 2.857 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1-c1nnn[n-]1 ZINC000824329088 609158960 /nfs/dbraw/zinc/15/89/60/609158960.db2.gz HZENOPMCPBAKSV-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1-c1nn[n-]n1 ZINC000824329088 609158961 /nfs/dbraw/zinc/15/89/61/609158961.db2.gz HZENOPMCPBAKSV-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM C=CCN(CC(=O)c1cc(C)[nH]c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903633 609267981 /nfs/dbraw/zinc/26/79/81/609267981.db2.gz FOUUDDGEIJMSFW-UHFFFAOYSA-N -1 3 350.426 2.683 20 30 FFEDHM C=CCN(CC(=O)c1cc(C)[nH]c1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823903633 609267982 /nfs/dbraw/zinc/26/79/82/609267982.db2.gz FOUUDDGEIJMSFW-UHFFFAOYSA-N -1 3 350.426 2.683 20 30 FFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401158 609273202 /nfs/dbraw/zinc/27/32/02/609273202.db2.gz RAFMYDWSWZMQCY-ALCCZGGFSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401158 609273203 /nfs/dbraw/zinc/27/32/03/609273203.db2.gz RAFMYDWSWZMQCY-ALCCZGGFSA-N -1 3 352.325 2.673 20 30 FFEDHM Cn1cc(C=NNc2ccc(F)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360633 609304692 /nfs/dbraw/zinc/30/46/92/609304692.db2.gz RYMGJRKUTMJFKJ-UHFFFAOYSA-N -1 3 362.372 2.852 20 30 FFEDHM Cn1cc(C=NNc2ccc(F)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360633 609304694 /nfs/dbraw/zinc/30/46/94/609304694.db2.gz RYMGJRKUTMJFKJ-UHFFFAOYSA-N -1 3 362.372 2.852 20 30 FFEDHM CC(C)(C#N)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824058919 609429333 /nfs/dbraw/zinc/42/93/33/609429333.db2.gz IYCCEYQPPIAJCV-UHFFFAOYSA-N -1 3 362.393 2.939 20 30 FFEDHM CC(C)(C#N)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824058919 609429335 /nfs/dbraw/zinc/42/93/35/609429335.db2.gz IYCCEYQPPIAJCV-UHFFFAOYSA-N -1 3 362.393 2.939 20 30 FFEDHM COc1ccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1Cl ZINC000826210604 609448879 /nfs/dbraw/zinc/44/88/79/609448879.db2.gz XUHQLDCUHLQTJE-UHFFFAOYSA-N -1 3 368.788 2.622 20 30 FFEDHM COc1ccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1Cl ZINC000826210604 609448881 /nfs/dbraw/zinc/44/88/81/609448881.db2.gz XUHQLDCUHLQTJE-UHFFFAOYSA-N -1 3 368.788 2.622 20 30 FFEDHM C=CCc1cc(CNc2cc(-c3nn[n-]n3)ccc2OC)cc(OC)c1O ZINC000823937319 609480659 /nfs/dbraw/zinc/48/06/59/609480659.db2.gz RPWUKCVNFZXFGJ-UHFFFAOYSA-N -1 3 367.409 2.930 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C#N)C(C)(C)C)ccc1F ZINC000154371457 728803034 /nfs/dbraw/zinc/80/30/34/728803034.db2.gz ILLGXEMCHNMXSF-CQSZACIVSA-N -1 3 370.446 2.998 20 30 FFEDHM CC(=NN1CC(=O)[N-]C1=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000743432708 735297357 /nfs/dbraw/zinc/29/73/57/735297357.db2.gz QBQWGRYLRRCICN-UHFFFAOYSA-N -1 3 366.208 2.763 20 30 FFEDHM CC(C)CO[C@@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)C1(C)C ZINC000743448420 735298182 /nfs/dbraw/zinc/29/81/82/735298182.db2.gz OEGOZBGCQZFVBE-QGZVFWFLSA-N -1 3 352.500 2.976 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1F ZINC000029054591 727891015 /nfs/dbraw/zinc/89/10/15/727891015.db2.gz JIOPKBQKCSMKJD-CYBMUJFWSA-N -1 3 362.426 2.781 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2ccccc2)ccc1F ZINC000045318591 728000536 /nfs/dbraw/zinc/00/05/36/728000536.db2.gz ORZAYMXQYUEESH-UHFFFAOYSA-N -1 3 362.426 2.957 20 30 FFEDHM C[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC000084585153 728423102 /nfs/dbraw/zinc/42/31/02/728423102.db2.gz QWSHSGZOCLCRLI-ZETCQYMHSA-N -1 3 362.333 2.619 20 30 FFEDHM C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC000084585153 728423104 /nfs/dbraw/zinc/42/31/04/728423104.db2.gz QWSHSGZOCLCRLI-ZETCQYMHSA-N -1 3 362.333 2.619 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cn(C)nc1C ZINC000113652737 728556157 /nfs/dbraw/zinc/55/61/57/728556157.db2.gz YCONEQIEOBHCIA-LLVKDONJSA-N -1 3 360.801 2.660 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@@H]2CCC)ccc1F ZINC000118649589 728583971 /nfs/dbraw/zinc/58/39/71/728583971.db2.gz BJIBVLKZGABYFS-OAHLLOKOSA-N -1 3 372.487 2.605 20 30 FFEDHM N#CC[C@H]([N-]S(=O)(=O)c1ccc2onc(Cl)c2c1)C(F)(F)F ZINC000901773076 735837022 /nfs/dbraw/zinc/83/70/22/735837022.db2.gz XAFYQCIBGIZDAF-VIFPVBQESA-N -1 3 353.709 2.604 20 30 FFEDHM Cc1nc(Cl)sc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000178013545 729151988 /nfs/dbraw/zinc/15/19/88/729151988.db2.gz SWNNEIYHBNGWHF-UHFFFAOYSA-N -1 3 358.814 2.869 20 30 FFEDHM COc1ccc(O)c(C=Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000255641203 729644802 /nfs/dbraw/zinc/64/48/02/729644802.db2.gz NYOYYHVEULCZTE-UHFFFAOYSA-N -1 3 364.398 2.731 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H]3CCCS3)no2)ccc1F ZINC000274144770 729698685 /nfs/dbraw/zinc/69/86/85/729698685.db2.gz MICZIWQUQUUYEE-GFCCVEGCSA-N -1 3 369.443 2.908 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000856200637 730315201 /nfs/dbraw/zinc/31/52/01/730315201.db2.gz SFZOFGJRMXGOCH-GASCZTMLSA-N -1 3 366.458 2.836 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3c([O-])cccc3Br)CC2)nc1 ZINC000862217159 730677354 /nfs/dbraw/zinc/67/73/54/730677354.db2.gz YMSXKSUPHIAVJU-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000770378835 737620328 /nfs/dbraw/zinc/62/03/28/737620328.db2.gz KJPAVVOBBXBPHY-VIFPVBQESA-N -1 3 366.664 2.801 20 30 FFEDHM C=C[C@@H](C)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868393209 731288518 /nfs/dbraw/zinc/28/85/18/731288518.db2.gz KYCKKSVNAHBGNA-NEPJUHHUSA-N -1 3 355.360 2.943 20 30 FFEDHM CC(C)n1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)CCC2 ZINC000780567935 738556851 /nfs/dbraw/zinc/55/68/51/738556851.db2.gz ZACMVKOETDHDBO-HNNXBMFYSA-N -1 3 362.430 2.831 20 30 FFEDHM C=CC[C@@H](C(=O)OC)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000878212593 732499473 /nfs/dbraw/zinc/49/94/73/732499473.db2.gz OEBLPPFTUYRGMX-HNNXBMFYSA-N -1 3 366.845 2.814 20 30 FFEDHM C[C@@]1(c2ccc(CN=Cc3cc(Cl)ccc3[O-])cc2)NC(=O)NC1=O ZINC000726119308 734408126 /nfs/dbraw/zinc/40/81/26/734408126.db2.gz XHIUIEOPHZZOCT-VNAJSCGASA-N -1 3 357.797 2.719 20 30 FFEDHM Cn1nccc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058101 734462202 /nfs/dbraw/zinc/46/22/02/734462202.db2.gz GQVIGXACHFMBBC-UHFFFAOYSA-N -1 3 355.423 2.667 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000734366493 734891628 /nfs/dbraw/zinc/89/16/28/734891628.db2.gz UMWGALQRZAZWIS-CPIUSTHESA-N -1 3 351.447 2.556 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccncc1 ZINC000734503389 734900727 /nfs/dbraw/zinc/90/07/27/734900727.db2.gz JOFCYLATFVCOCD-OAHLLOKOSA-N -1 3 364.398 2.603 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000735380271 734944968 /nfs/dbraw/zinc/94/49/68/734944968.db2.gz IADMRYRJPZQPCL-UHFFFAOYSA-N -1 3 353.407 2.809 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000735380271 734944974 /nfs/dbraw/zinc/94/49/74/734944974.db2.gz IADMRYRJPZQPCL-UHFFFAOYSA-N -1 3 353.407 2.809 20 30 FFEDHM C=CCN(C(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000738360617 735029425 /nfs/dbraw/zinc/02/94/25/735029425.db2.gz KTVSBIGNQWHHGY-UHFFFAOYSA-N -1 3 374.528 2.814 20 30 FFEDHM CNC(=O)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC000901377865 735772204 /nfs/dbraw/zinc/77/22/04/735772204.db2.gz AOTINTSBVLJUNX-UHFFFAOYSA-N -1 3 354.193 2.780 20 30 FFEDHM Cn1cncc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000755684047 736270850 /nfs/dbraw/zinc/27/08/50/736270850.db2.gz YLKGZVAWPAZTQZ-UHFFFAOYSA-N -1 3 355.423 2.667 20 30 FFEDHM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCCN3CCSC[C@H]23)c1[O-] ZINC000905001462 736284944 /nfs/dbraw/zinc/28/49/44/736284944.db2.gz AKVGFOSJHLYCEU-HZJPZQKHSA-N -1 3 355.847 2.953 20 30 FFEDHM C#CCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760838153 736673239 /nfs/dbraw/zinc/67/32/39/736673239.db2.gz RSWAXUUBMVHNSE-UHFFFAOYSA-N -1 3 353.603 2.697 20 30 FFEDHM C=CCCC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750685 736826194 /nfs/dbraw/zinc/82/61/94/736826194.db2.gz GWPYZUCAFBNWOA-GJZGRUSLSA-N -1 3 365.499 2.994 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908753408 736826624 /nfs/dbraw/zinc/82/66/24/736826624.db2.gz UXTMXWFQLQWYAO-HOTGVXAUSA-N -1 3 365.861 2.719 20 30 FFEDHM COc1cc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)ccc1SC ZINC000769808740 737569097 /nfs/dbraw/zinc/56/90/97/737569097.db2.gz NSSFWVALDFCTLY-UHFFFAOYSA-N -1 3 358.427 2.636 20 30 FFEDHM Oc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c(O)c1O ZINC000916368836 737699248 /nfs/dbraw/zinc/69/92/48/737699248.db2.gz QMPFVGHWYGVTBX-UHFFFAOYSA-N -1 3 374.447 2.858 20 30 FFEDHM Cn1c(=O)c2ccccc2nc1NN=Cc1cc(Br)ccc1[O-] ZINC000917593543 737767414 /nfs/dbraw/zinc/76/74/14/737767414.db2.gz RHQCYGLQBDBCQB-UHFFFAOYSA-N -1 3 373.210 2.848 20 30 FFEDHM COc1cc(Br)ccc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000777401168 738286355 /nfs/dbraw/zinc/28/63/55/738286355.db2.gz LCVAHHZZVACLAF-LSCVHKIXSA-N -1 3 365.227 2.978 20 30 FFEDHM C=C[C@](C)(CC)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000786526881 739058046 /nfs/dbraw/zinc/05/80/46/739058046.db2.gz HBSWLWJAAVTSSQ-FZKQIMNGSA-N -1 3 364.467 2.649 20 30 FFEDHM N#CC[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000795983918 740087114 /nfs/dbraw/zinc/08/71/14/740087114.db2.gz VKKKYUFKQVLTIW-AWEZNQCLSA-N -1 3 356.403 2.635 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796707085 740174095 /nfs/dbraw/zinc/17/40/95/740174095.db2.gz AOWCOURPHPJQDY-MRVPVSSYSA-N -1 3 350.318 2.536 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@H](C#N)C2CC2)cc(C(F)(F)F)c1 ZINC000796747546 740179320 /nfs/dbraw/zinc/17/93/20/740179320.db2.gz YLKZWKQETMVXHJ-GFCCVEGCSA-N -1 3 362.329 2.536 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCc2cc(Cl)ccc2[O-])C1 ZINC000798274778 740318840 /nfs/dbraw/zinc/31/88/40/740318840.db2.gz KJMBBALCXHAFTC-TZMCWYRMSA-N -1 3 351.834 2.894 20 30 FFEDHM CCCCCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc2c(c1)CCO2 ZINC000799800014 740453482 /nfs/dbraw/zinc/45/34/82/740453482.db2.gz YWKPZCCQNXLCKG-QGZVFWFLSA-N -1 3 369.483 2.725 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(C#N)n2)cc1Cl ZINC000810533683 741425420 /nfs/dbraw/zinc/42/54/20/741425420.db2.gz SOVVXQFOTCUFRU-LBPRGKRZSA-N -1 3 354.753 2.576 20 30 FFEDHM C#Cc1cccc(NC(=S)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811712152 741551703 /nfs/dbraw/zinc/55/17/03/741551703.db2.gz JPPXVWFZBXATJS-ZDUSSCGKSA-N -1 3 369.412 2.755 20 30 FFEDHM C=CCC(C)(C)CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000817456704 742148494 /nfs/dbraw/zinc/14/84/94/742148494.db2.gz CJJDEVBZOMSWMV-LBPRGKRZSA-N -1 3 373.906 2.510 20 30 FFEDHM COc1cc(/C=C/C(=O)c2cc(CO)on2)cc(Br)c1[O-] ZINC000821012408 742576942 /nfs/dbraw/zinc/57/69/42/742576942.db2.gz ISLQLWMQDGBHAN-NSCUHMNNSA-N -1 3 354.156 2.540 20 30 FFEDHM C=CCn1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)nn1 ZINC000830131392 745312682 /nfs/dbraw/zinc/31/26/82/745312682.db2.gz UUDZFPXCOBYJHJ-SECBINFHSA-N -1 3 359.411 2.709 20 30 FFEDHM C=CCO[N-]C(=O)CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)no1 ZINC000837044139 746355544 /nfs/dbraw/zinc/35/55/44/746355544.db2.gz JMZTYAOYASJANU-UHFFFAOYSA-N -1 3 367.789 2.574 20 30 FFEDHM N#CC1(COC(=O)c2ccc(I)c([O-])c2)CCC1 ZINC000837636230 746490515 /nfs/dbraw/zinc/49/05/15/746490515.db2.gz LPBQGXHOELMDLE-UHFFFAOYSA-N -1 3 357.147 2.847 20 30 FFEDHM C#C[C@@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H]1CCCO1 ZINC000839562628 746856816 /nfs/dbraw/zinc/85/68/16/746856816.db2.gz BMHHWFGXPQGZQN-TZMCWYRMSA-N -1 3 355.419 2.927 20 30 FFEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1ccc(I)cc1 ZINC000846540857 748499033 /nfs/dbraw/zinc/49/90/33/748499033.db2.gz LFHMBDAXHKCCJG-UHFFFAOYSA-N -1 3 373.190 2.878 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000846545077 748499665 /nfs/dbraw/zinc/49/96/65/748499665.db2.gz DSTFCQPVYBEFEK-ZFWWWQNUSA-N -1 3 363.483 2.561 20 30 FFEDHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848134624 748851351 /nfs/dbraw/zinc/85/13/51/748851351.db2.gz XDHZUHBYHHVDJY-CYBMUJFWSA-N -1 3 358.360 2.771 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCOCC1 ZINC000851828919 749691810 /nfs/dbraw/zinc/69/18/10/749691810.db2.gz FFTZIXCOFTZDHC-CYBMUJFWSA-N -1 3 365.348 2.551 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854648203 750344353 /nfs/dbraw/zinc/34/43/53/750344353.db2.gz AHRIPFQRXFPIPZ-DLBZAZTESA-N -1 3 358.825 2.968 20 30 FFEDHM C#CCOc1cc(F)ccc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000819709595 945273644 /nfs/dbraw/zinc/27/36/44/945273644.db2.gz LGSSETZHUZEPOC-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM C#CCOc1cc(F)ccc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000819709595 945273654 /nfs/dbraw/zinc/27/36/54/945273654.db2.gz LGSSETZHUZEPOC-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM C#Cc1cccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000819709807 945271979 /nfs/dbraw/zinc/27/19/79/945271979.db2.gz PXQXFVCAZGFKGV-UHFFFAOYSA-N -1 3 357.377 2.534 20 30 FFEDHM C#Cc1cccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000819709807 945271984 /nfs/dbraw/zinc/27/19/84/945271984.db2.gz PXQXFVCAZGFKGV-UHFFFAOYSA-N -1 3 357.377 2.534 20 30 FFEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819844689 945298650 /nfs/dbraw/zinc/29/86/50/945298650.db2.gz KRDMGBYHMZYMQO-LBPRGKRZSA-N -1 3 363.381 2.940 20 30 FFEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819844689 945298656 /nfs/dbraw/zinc/29/86/56/945298656.db2.gz KRDMGBYHMZYMQO-LBPRGKRZSA-N -1 3 363.381 2.940 20 30 FFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000820001085 945325504 /nfs/dbraw/zinc/32/55/04/945325504.db2.gz DAQMSTDNUVTHPL-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000820001085 945325512 /nfs/dbraw/zinc/32/55/12/945325512.db2.gz DAQMSTDNUVTHPL-UHFFFAOYSA-N -1 3 366.356 2.674 20 30 FFEDHM CC(C)OCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735904380 944712166 /nfs/dbraw/zinc/71/21/66/944712166.db2.gz NJANZJWMHFZRQF-UHFFFAOYSA-N -1 3 362.393 2.916 20 30 FFEDHM CC(C)OCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735904380 944712176 /nfs/dbraw/zinc/71/21/76/944712176.db2.gz NJANZJWMHFZRQF-UHFFFAOYSA-N -1 3 362.393 2.916 20 30 FFEDHM CC(C)c1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735932667 944714426 /nfs/dbraw/zinc/71/44/26/944714426.db2.gz PLYKYUKVDUFRCP-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM CC(C)c1ccccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735932667 944714428 /nfs/dbraw/zinc/71/44/28/944714428.db2.gz PLYKYUKVDUFRCP-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM CC(C)c1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735932984 944716063 /nfs/dbraw/zinc/71/60/63/944716063.db2.gz RBVZGHBQYBIWDX-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM CC(C)c1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735932984 944716070 /nfs/dbraw/zinc/71/60/70/944716070.db2.gz RBVZGHBQYBIWDX-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737265574 945026260 /nfs/dbraw/zinc/02/62/60/945026260.db2.gz XAZUPNGEYGOQIN-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737265574 945026270 /nfs/dbraw/zinc/02/62/70/945026270.db2.gz XAZUPNGEYGOQIN-UHFFFAOYSA-N -1 3 368.784 2.718 20 30 FFEDHM C#CC[C@@H](OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)C ZINC000823838193 946487804 /nfs/dbraw/zinc/48/78/04/946487804.db2.gz LQWAPEUEDKKXLG-QGZVFWFLSA-N -1 3 364.409 2.566 20 30 FFEDHM C#CC[C@@H](OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)C ZINC000823838193 946487816 /nfs/dbraw/zinc/48/78/16/946487816.db2.gz LQWAPEUEDKKXLG-QGZVFWFLSA-N -1 3 364.409 2.566 20 30 FFEDHM C#CC[C@H](OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)C ZINC000823838192 946488679 /nfs/dbraw/zinc/48/86/79/946488679.db2.gz LQWAPEUEDKKXLG-KRWDZBQOSA-N -1 3 364.409 2.566 20 30 FFEDHM C#CC[C@H](OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)C ZINC000823838192 946488687 /nfs/dbraw/zinc/48/86/87/946488687.db2.gz LQWAPEUEDKKXLG-KRWDZBQOSA-N -1 3 364.409 2.566 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823894780 946506650 /nfs/dbraw/zinc/50/66/50/946506650.db2.gz XDVNSLZGOXMBET-YOEHRIQHSA-N -1 3 354.458 2.697 20 30 FFEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCCCC ZINC001573281537 946677918 /nfs/dbraw/zinc/67/79/18/946677918.db2.gz ZSHOMTUAJDUXLS-AWEZNQCLSA-N -1 3 364.457 2.773 20 30 FFEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCCCC ZINC001573281537 946677927 /nfs/dbraw/zinc/67/79/27/946677927.db2.gz ZSHOMTUAJDUXLS-AWEZNQCLSA-N -1 3 364.457 2.773 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000824739330 946920545 /nfs/dbraw/zinc/92/05/45/946920545.db2.gz WFRCHUBFPJXOMN-LRDDRELGSA-N -1 3 355.398 2.650 20 30 FFEDHM C=C(CC)CNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001573294884 947002163 /nfs/dbraw/zinc/00/21/63/947002163.db2.gz LRXVDBOEVHHVGT-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=C(CC)CNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001573294884 947002174 /nfs/dbraw/zinc/00/21/74/947002174.db2.gz LRXVDBOEVHHVGT-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=C1CCC(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)C)CC1 ZINC001573296648 947052219 /nfs/dbraw/zinc/05/22/19/947052219.db2.gz VIDFPHZSAMPTGY-MRXNPFEDSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CCC(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)C)CC1 ZINC001573296648 947052225 /nfs/dbraw/zinc/05/22/25/947052225.db2.gz VIDFPHZSAMPTGY-MRXNPFEDSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573299745 947098555 /nfs/dbraw/zinc/09/85/55/947098555.db2.gz LMIVZSLSBOBAON-UKRRQHHQSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573299745 947098568 /nfs/dbraw/zinc/09/85/68/947098568.db2.gz LMIVZSLSBOBAON-UKRRQHHQSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C[C@@H]1C ZINC001573305709 947159062 /nfs/dbraw/zinc/15/90/62/947159062.db2.gz TXEUIDWCQLBSDE-KBPBESRZSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C[C@@H]1C ZINC001573305709 947159067 /nfs/dbraw/zinc/15/90/67/947159067.db2.gz TXEUIDWCQLBSDE-KBPBESRZSA-N -1 3 369.473 2.655 20 30 FFEDHM COC[C@@H](C#N)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826147681 947473425 /nfs/dbraw/zinc/47/34/25/947473425.db2.gz HUHVRAQSKGIPPR-MRXNPFEDSA-N -1 3 364.409 2.705 20 30 FFEDHM COC[C@@H](C#N)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826147681 947473429 /nfs/dbraw/zinc/47/34/29/947473429.db2.gz HUHVRAQSKGIPPR-MRXNPFEDSA-N -1 3 364.409 2.705 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccc3[nH]ccc3c2)ccc1-c1nnn[n-]1 ZINC000826384472 948185389 /nfs/dbraw/zinc/18/53/89/948185389.db2.gz WVSSHPMZGSPCPY-UHFFFAOYSA-N -1 3 357.377 2.791 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2ccc3[nH]ccc3c2)ccc1-c1nn[n-]n1 ZINC000826384472 948185397 /nfs/dbraw/zinc/18/53/97/948185397.db2.gz WVSSHPMZGSPCPY-UHFFFAOYSA-N -1 3 357.377 2.791 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403103 948227719 /nfs/dbraw/zinc/22/77/19/948227719.db2.gz JVNVPZHZMZARHT-ONEGZZNKSA-N -1 3 366.278 2.661 20 30 FFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403103 948227726 /nfs/dbraw/zinc/22/77/26/948227726.db2.gz JVNVPZHZMZARHT-ONEGZZNKSA-N -1 3 366.278 2.661 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573761128 948838616 /nfs/dbraw/zinc/83/86/16/948838616.db2.gz CUEKYQRWZRZEKD-UHFFFAOYSA-N -1 3 352.423 2.659 20 30 FFEDHM CC(C)(C#N)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001573761541 948843259 /nfs/dbraw/zinc/84/32/59/948843259.db2.gz JJWXZYBDLQRLSZ-UHFFFAOYSA-N -1 3 363.381 2.932 20 30 FFEDHM CC(C)(C#N)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001573761541 948843274 /nfs/dbraw/zinc/84/32/74/948843274.db2.gz JJWXZYBDLQRLSZ-UHFFFAOYSA-N -1 3 363.381 2.932 20 30 FFEDHM C[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001575252732 949169856 /nfs/dbraw/zinc/16/98/56/949169856.db2.gz RDMQMVCMBMMPHP-LLVKDONJSA-N -1 3 368.347 2.708 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)c1ccc(F)cc1 ZINC000007674085 1013197375 /nfs/dbraw/zinc/19/73/75/1013197375.db2.gz XJVPFVFRQWPTQZ-CYBMUJFWSA-N -1 3 370.380 2.750 20 30 FFEDHM N#CCc1nn(-c2ccccc2)c(Nc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001175427532 1013478376 /nfs/dbraw/zinc/47/83/76/1013478376.db2.gz MBMFCIBEARGCRU-UHFFFAOYSA-N -1 3 367.376 2.734 20 30 FFEDHM C#CC(=O)N1CC[C@@]2(CCC[C@H]2C(=O)Nc2nc3c(cccc3[O-])s2)C1 ZINC001269841288 964346670 /nfs/dbraw/zinc/34/66/70/964346670.db2.gz HBPJDQFDWVQWLA-BUXKBTBVSA-N -1 3 369.446 2.592 20 30 FFEDHM C#C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000185288469 967706958 /nfs/dbraw/zinc/70/69/58/967706958.db2.gz RQXBRWRHDITLNG-CQSZACIVSA-N -1 3 372.446 2.556 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cccc(C)c32)ccc1F ZINC000125506069 974614768 /nfs/dbraw/zinc/61/47/68/974614768.db2.gz PJRPNDCYRXPNGS-UHFFFAOYSA-N -1 3 374.437 2.801 20 30 FFEDHM C#CCN(C(=O)c1cccc(O)c1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899270779 977058230 /nfs/dbraw/zinc/05/82/30/977058230.db2.gz LQIFNUGHYNTENS-UHFFFAOYSA-N -1 3 374.437 2.573 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847902 981553602 /nfs/dbraw/zinc/55/36/02/981553602.db2.gz VTGLYOYYGYVUKM-ROUUACIJSA-N -1 3 359.470 2.760 20 30 FFEDHM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000764447407 984499606 /nfs/dbraw/zinc/49/96/06/984499606.db2.gz UJRPSBRHKJSNGN-UHFFFAOYSA-N -1 3 372.421 2.864 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000129882421 984920606 /nfs/dbraw/zinc/92/06/06/984920606.db2.gz DIPBFKOCRIPOJV-QGZVFWFLSA-N -1 3 374.400 2.901 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC)c([N+](=O)[O-])c1 ZINC000916930127 990034426 /nfs/dbraw/zinc/03/44/26/990034426.db2.gz VNCCPULSAOXXAF-GFCCVEGCSA-N -1 3 369.333 2.573 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H]2CC)ccc1F ZINC001129079233 990395337 /nfs/dbraw/zinc/39/53/37/990395337.db2.gz LGFRHJNJQILIDV-HIFRSBDPSA-N -1 3 368.474 2.846 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C#N)c3)n[n-]2)o1 ZINC000919327327 990615065 /nfs/dbraw/zinc/61/50/65/990615065.db2.gz ICWDEPAXHHEHLQ-UHFFFAOYSA-N -1 3 350.334 2.645 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C#N)c3)[n-]n2)o1 ZINC000919327327 990615067 /nfs/dbraw/zinc/61/50/67/990615067.db2.gz ICWDEPAXHHEHLQ-UHFFFAOYSA-N -1 3 350.334 2.645 20 30 FFEDHM CC(C)CN1c2ccccc2C(=N[N-]S(=O)(=O)Cc2ccccc2)C1=O ZINC000920384035 990841694 /nfs/dbraw/zinc/84/16/94/990841694.db2.gz SBNOXKDTQYNUEO-UHFFFAOYSA-N -1 3 371.462 2.513 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000920990807 990944840 /nfs/dbraw/zinc/94/48/40/990944840.db2.gz DQBGFSWHFLJJPC-PZUDMAOCSA-N -1 3 363.458 2.796 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1)c1nc(-c2cccc(C#N)c2)no1 ZINC001206060539 1032124914 /nfs/dbraw/zinc/12/49/14/1032124914.db2.gz RDYMAMLQRAHZKD-ZDUSSCGKSA-N -1 3 368.418 2.789 20 30 FFEDHM COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000811185395 995051692 /nfs/dbraw/zinc/05/16/92/995051692.db2.gz KQRAKTIIOYVQQT-NSHDSACASA-N -1 3 355.346 2.709 20 30 FFEDHM COc1cc(CN(CC(=O)[O-])Cc2ccc(C#N)c(OC)c2)cc(OC)c1 ZINC001599406056 997304708 /nfs/dbraw/zinc/30/47/08/997304708.db2.gz UKIXVHDLZYNKEN-UHFFFAOYSA-N -1 3 370.405 2.671 20 30 FFEDHM C=CCOCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000679588461 1016122759 /nfs/dbraw/zinc/12/27/59/1016122759.db2.gz OZLNKAKAHWGSLZ-LJQANCHMSA-N -1 3 368.433 2.572 20 30 FFEDHM CC[C@@H](C)NC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccccc1 ZINC000732179173 998527238 /nfs/dbraw/zinc/52/72/38/998527238.db2.gz DMWVSMGBDASTPX-CYBMUJFWSA-O -1 3 371.486 2.876 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cncc([O-])c1 ZINC000732393247 998650227 /nfs/dbraw/zinc/65/02/27/998650227.db2.gz OVVGLLMQSSUXTE-LBPRGKRZSA-N -1 3 371.418 2.834 20 30 FFEDHM C[C@@H](OCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1nccn1C ZINC000845845176 998663970 /nfs/dbraw/zinc/66/39/70/998663970.db2.gz WCMSJBSTBXFYCH-ZBFHGGJFSA-N -1 3 351.406 2.507 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CCc2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000734096769 999194189 /nfs/dbraw/zinc/19/41/89/999194189.db2.gz RICYMCIZSJEWQW-AWQFTUOYSA-N -1 3 372.812 2.953 20 30 FFEDHM Cc1ccc(-c2nn(-c3ccccc3)cc2C=NN2CC(=O)[N-]C2=O)cc1 ZINC000744809892 999874582 /nfs/dbraw/zinc/87/45/82/999874582.db2.gz BQIFHGLGYOOATG-UHFFFAOYSA-N -1 3 359.389 2.733 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(-c2ccncc2)c(-c2ccccc2)nn1 ZINC001171363301 1001720760 /nfs/dbraw/zinc/72/07/60/1001720760.db2.gz XIPGBEQLKUBUBS-UGSOOPFHSA-N -1 3 361.405 2.854 20 30 FFEDHM COCCN(C)c1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)cn1 ZINC000790221798 1002314911 /nfs/dbraw/zinc/31/49/11/1002314911.db2.gz FTWRMHABKFURMY-FNORWQNLSA-N -1 3 372.421 2.783 20 30 FFEDHM Cc1cc(Cn2nnc(C(=O)N([O-])Cc3ccccc3Cl)c2C)no1 ZINC001184283395 1002561617 /nfs/dbraw/zinc/56/16/17/1002561617.db2.gz IDSJESXZKHZHQX-UHFFFAOYSA-N -1 3 361.789 2.616 20 30 FFEDHM COc1c([O-])c(CN=Nc2oc(C(C)(C)C)nc2C#N)ccc1[N+](=O)[O-] ZINC000773055791 1002614297 /nfs/dbraw/zinc/61/42/97/1002614297.db2.gz RFUNVJLJPGGXGX-UHFFFAOYSA-N -1 3 359.342 2.912 20 30 FFEDHM O=C([N-][C@@H](CO)C(F)(F)F)[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001184540351 1002639672 /nfs/dbraw/zinc/63/96/72/1002639672.db2.gz DTYONDDZTBFKEY-ONGXEEELSA-N -1 3 372.240 2.992 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2ccc(Br)cn2)CCCCCC1 ZINC001196178567 1003695962 /nfs/dbraw/zinc/69/59/62/1003695962.db2.gz FBOVSTSBRQVZPL-UHFFFAOYSA-N -1 3 358.261 2.739 20 30 FFEDHM COc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1F ZINC001196708055 1003921788 /nfs/dbraw/zinc/92/17/88/1003921788.db2.gz XYWJTIBOMYSWFS-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cnncc2Cl)ccc1Br ZINC001197281617 1004161582 /nfs/dbraw/zinc/16/15/82/1004161582.db2.gz JHLLYGNYBIZDJD-UHFFFAOYSA-N -1 3 373.619 2.565 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)CC#N)C(=O)Nc1ccc2ccccc2c1 ZINC001192993657 1004335930 /nfs/dbraw/zinc/33/59/30/1004335930.db2.gz HIZRANOIUGYFTB-KRWDZBQOSA-N -1 3 359.451 2.636 20 30 FFEDHM N#Cc1cc(C(=O)Nc2n[nH]c3ncc(Br)cc23)ccc1[O-] ZINC001193499425 1004496388 /nfs/dbraw/zinc/49/63/88/1004496388.db2.gz QTUXKPLTZWOGOU-UHFFFAOYSA-N -1 3 358.155 2.550 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)cc(Br)c2)o1 ZINC001193822884 1004591332 /nfs/dbraw/zinc/59/13/32/1004591332.db2.gz XDTDHZIQPTWESB-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccc(C#CBr)cc1 ZINC001194796944 1004811868 /nfs/dbraw/zinc/81/18/68/1004811868.db2.gz BMCCLJZMKUEHIZ-UHFFFAOYSA-N -1 3 362.183 2.543 20 30 FFEDHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccc(C#CBr)cc1 ZINC001194796944 1004811874 /nfs/dbraw/zinc/81/18/74/1004811874.db2.gz BMCCLJZMKUEHIZ-UHFFFAOYSA-N -1 3 362.183 2.543 20 30 FFEDHM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1ccccc1 ZINC001195014506 1004859333 /nfs/dbraw/zinc/85/93/33/1004859333.db2.gz OWEJVCZCVMRBRV-LJQANCHMSA-N -1 3 372.446 2.624 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(O)CC3)cc2)cc1C#N ZINC001201317599 1005198620 /nfs/dbraw/zinc/19/86/20/1005198620.db2.gz WEHQICAQQORHQE-UHFFFAOYSA-N -1 3 371.462 2.629 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000776275616 1005341886 /nfs/dbraw/zinc/34/18/86/1005341886.db2.gz VCAOONPRHVZNCS-GFCCVEGCSA-N -1 3 353.378 2.514 20 30 FFEDHM Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1C ZINC000776280584 1005345817 /nfs/dbraw/zinc/34/58/17/1005345817.db2.gz UQVZWXIYXKBOJP-AWEZNQCLSA-N -1 3 352.390 2.915 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110603900 1005512096 /nfs/dbraw/zinc/51/20/96/1005512096.db2.gz VDFIVKDVGLCNCK-ZACQAIPSSA-N -1 3 370.497 2.883 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)ccc1OC(F)F ZINC000109482061 1005835213 /nfs/dbraw/zinc/83/52/13/1005835213.db2.gz WHOHHDYLFWLHHF-NSHDSACASA-N -1 3 361.304 2.653 20 30 FFEDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@H](CC#N)C2)c1 ZINC000853526526 1006429840 /nfs/dbraw/zinc/42/98/40/1006429840.db2.gz RZCNFJPCURDWKW-QGZVFWFLSA-N -1 3 371.481 2.553 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC001188239096 1006458659 /nfs/dbraw/zinc/45/86/59/1006458659.db2.gz NHBDPBWFGUNCGU-UHFFFAOYSA-N -1 3 373.253 2.566 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@H]2CN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001188908776 1006797724 /nfs/dbraw/zinc/79/77/24/1006797724.db2.gz IMIQMFQXCCKCFI-QILLFSRXSA-N -1 3 370.497 2.695 20 30 FFEDHM C#CCC1(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])CCCCC1 ZINC000854456458 1006841538 /nfs/dbraw/zinc/84/15/38/1006841538.db2.gz UTAOFSJIJOULEO-LSDHHAIUSA-N -1 3 357.454 2.840 20 30 FFEDHM COc1ccc2c(c1)oc(C(=O)N[C@@H]1CCN([O-])C1=O)c2-c1ccccc1 ZINC000816691368 1007167963 /nfs/dbraw/zinc/16/79/63/1007167963.db2.gz PUJOHKPYMKZQEO-OAHLLOKOSA-N -1 3 366.373 2.828 20 30 FFEDHM CC(=O)/C=C(/C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001189760644 1007281515 /nfs/dbraw/zinc/28/15/15/1007281515.db2.gz ZEWNSKGLEBQHSI-ALCCZGGFSA-N -1 3 352.637 2.874 20 30 FFEDHM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000134186051 1007363601 /nfs/dbraw/zinc/36/36/01/1007363601.db2.gz ZSMDBFSNQPWUAW-HNNXBMFYSA-N -1 3 357.373 2.808 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccnn2)c1 ZINC001190681337 1007746327 /nfs/dbraw/zinc/74/63/27/1007746327.db2.gz JGUMXXVPXOWAOG-GOSISDBHSA-N -1 3 368.393 2.555 20 30 FFEDHM N#Cc1ccc(O[C@H]2CCCN(C(=O)c3ccc(=O)[n-]c3Cl)C2)cc1 ZINC001190910698 1007846096 /nfs/dbraw/zinc/84/60/96/1007846096.db2.gz WBAXFXHJMSIFDW-AWEZNQCLSA-N -1 3 357.797 2.996 20 30 FFEDHM COc1ccc2c(c1)c(C(=O)N[C@H]1CCN([O-])C1=O)c(C)n2C1CCCC1 ZINC000820180123 1008300505 /nfs/dbraw/zinc/30/05/05/1008300505.db2.gz VXBUZYXJOWXUPZ-INIZCTEOSA-N -1 3 371.437 2.793 20 30 FFEDHM C#CCCCOc1cccnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000820619116 1008352136 /nfs/dbraw/zinc/35/21/36/1008352136.db2.gz CRUXKDUKGIEEQI-UHFFFAOYSA-N -1 3 365.433 2.542 20 30 FFEDHM C#CCCCOc1cccnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000820623858 1008352526 /nfs/dbraw/zinc/35/25/26/1008352526.db2.gz FGENTOPGTWGSGV-UHFFFAOYSA-N -1 3 365.433 2.542 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)C12CC(C1)CCN2Cc1ccccc1 ZINC001181487438 1010132477 /nfs/dbraw/zinc/13/24/77/1010132477.db2.gz JUTXQLOTTQYIMY-UHFFFAOYSA-N -1 3 364.449 2.867 20 30 FFEDHM COc1cc2c(cc1OC)C(=N[N-]S(=O)(=O)CCc1ccccc1)CC2 ZINC000794514243 1010203681 /nfs/dbraw/zinc/20/36/81/1010203681.db2.gz BCRNLQZOEQQXPS-UHFFFAOYSA-N -1 3 374.462 2.516 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(C)C)cn2)c1 ZINC000774044192 1010437005 /nfs/dbraw/zinc/43/70/05/1010437005.db2.gz RCQQCZPLFSEZDK-MRXNPFEDSA-N -1 3 353.378 2.839 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)=O)c(C)nc1C ZINC000777295520 1010472799 /nfs/dbraw/zinc/47/27/99/1010472799.db2.gz HCTZHOHVFAKEHN-MRXNPFEDSA-N -1 3 365.389 2.871 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1[n-]c(=O)ccc1Cl ZINC001275049424 1011857073 /nfs/dbraw/zinc/85/70/73/1011857073.db2.gz RWSBLKHOJRXHSS-SFHVURJKSA-N -1 3 363.845 2.614 20 30 FFEDHM N#Cc1ccccc1N1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000923618062 1012296960 /nfs/dbraw/zinc/29/69/60/1012296960.db2.gz IYVLITGZQHZZOD-UHFFFAOYSA-N -1 3 368.412 2.871 20 30 FFEDHM CO[C@@H]1CCn2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)nc2C1 ZINC000870378285 1012340712 /nfs/dbraw/zinc/34/07/12/1012340712.db2.gz FGGMVVAHVXRCMA-NEPJUHHUSA-N -1 3 364.327 2.748 20 30 FFEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001275426817 1012448035 /nfs/dbraw/zinc/44/80/35/1012448035.db2.gz ASTZZRRMBOUGAH-AWEZNQCLSA-N -1 3 363.408 2.692 20 30 FFEDHM C=C(C)CN1C(=O)C[C@@]2(CCCN(Cc3cc(F)c([O-])c(F)c3)C2)C1=O ZINC001275430744 1012450891 /nfs/dbraw/zinc/45/08/91/1012450891.db2.gz KOABAGWYBSKQDU-LJQANCHMSA-N -1 3 364.392 2.588 20 30 FFEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C(=O)[O-])cc1 ZINC001275656186 1012774292 /nfs/dbraw/zinc/77/42/92/1012774292.db2.gz YAAFSAVEUUWBNE-FQEVSTJZSA-N -1 3 355.438 2.646 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000133269644 1018871980 /nfs/dbraw/zinc/87/19/80/1018871980.db2.gz DDWJFPWDICUAPS-GASCZTMLSA-N -1 3 371.462 2.973 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)N(O)Cc2cccc3ccccc32)c(C)o1 ZINC000901370831 1019012702 /nfs/dbraw/zinc/01/27/02/1019012702.db2.gz HVBZCSGEJALHLP-UHFFFAOYSA-N -1 3 374.418 2.681 20 30 FFEDHM C=CCCn1cc(CN[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])nn1 ZINC000901840927 1019510962 /nfs/dbraw/zinc/51/09/62/1019510962.db2.gz RCAXFZHYGGCKEK-QFBILLFUSA-N -1 3 354.454 2.907 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000900045182 1020153493 /nfs/dbraw/zinc/15/34/93/1020153493.db2.gz MVFUECDYROZAEO-UHFFFAOYSA-N -1 3 365.433 2.621 20 30 FFEDHM COc1cc(CN=Nc2nc(-c3ccccc3)no2)c([N+](=O)[O-])cc1[O-] ZINC000726738369 1020513993 /nfs/dbraw/zinc/51/39/93/1020513993.db2.gz QTOIUTNYGRPSAK-UHFFFAOYSA-N -1 3 355.310 2.805 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc(C)n1 ZINC001116283262 1021153499 /nfs/dbraw/zinc/15/34/99/1021153499.db2.gz YFIUFIFYLXNCAQ-UHFFFAOYSA-N -1 3 366.240 2.555 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC001116592334 1021300429 /nfs/dbraw/zinc/30/04/29/1021300429.db2.gz URRYLHHMRHAQOY-CYBMUJFWSA-N -1 3 366.266 2.921 20 30 FFEDHM C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC001098929149 1021429515 /nfs/dbraw/zinc/42/95/15/1021429515.db2.gz JIJKTBAVHBAMEF-XOBRGWDASA-N -1 3 371.868 2.865 20 30 FFEDHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC001202786604 1022051061 /nfs/dbraw/zinc/05/10/61/1022051061.db2.gz HSZSVQBJHKEHNK-AWEZNQCLSA-N -1 3 358.398 2.606 20 30 FFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1 ZINC001202786604 1022051076 /nfs/dbraw/zinc/05/10/76/1022051076.db2.gz HSZSVQBJHKEHNK-AWEZNQCLSA-N -1 3 358.398 2.606 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc3n[n-]nc32)ccc1OC ZINC000187960650 1022977122 /nfs/dbraw/zinc/97/71/22/1022977122.db2.gz YCZNLKHUKCOYBQ-ZDUSSCGKSA-N -1 3 365.393 2.577 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(F)F)n(C)n1 ZINC001122543065 1023329586 /nfs/dbraw/zinc/32/95/86/1023329586.db2.gz ZNACYVALEOLUNQ-JTQLQIEISA-N -1 3 362.336 2.718 20 30 FFEDHM CSc1cc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccn1 ZINC000779194289 1023342323 /nfs/dbraw/zinc/34/23/23/1023342323.db2.gz LHBHMWGFVZSQJJ-ZDUSSCGKSA-N -1 3 369.402 2.536 20 30 FFEDHM N#CCCN1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC001120867467 1023502244 /nfs/dbraw/zinc/50/22/44/1023502244.db2.gz CVWUIMWMGLEXSA-UHFFFAOYSA-N -1 3 370.478 2.523 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001121652538 1023905613 /nfs/dbraw/zinc/90/56/13/1023905613.db2.gz RVBZYLWQCIUIFM-CQSZACIVSA-N -1 3 371.372 2.622 20 30 FFEDHM N#Cc1ccc(F)cc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000759354579 1024577480 /nfs/dbraw/zinc/57/74/80/1024577480.db2.gz SEOGNPMZKLJYNY-KRWDZBQOSA-N -1 3 368.364 2.751 20 30 FFEDHM COc1ccc(Oc2nc(Cl)ncc2N[C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001160178366 1027626362 /nfs/dbraw/zinc/62/63/62/1027626362.db2.gz HWJXZJOIKMVIET-ZANVPECISA-N -1 3 364.789 2.579 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3c(c2)OCC3)c(C)c1[O-] ZINC001153360873 1027849374 /nfs/dbraw/zinc/84/93/74/1027849374.db2.gz PTXSGPWCTDSXRS-UHFFFAOYSA-N -1 3 366.373 2.936 20 30 FFEDHM N#C[C@H]1CCCCN1C(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153875707 1028039562 /nfs/dbraw/zinc/03/95/62/1028039562.db2.gz FBYVILTYXYRPMP-LLVKDONJSA-N -1 3 360.211 2.809 20 30 FFEDHM O=C(CCN1C(=O)c2ccccc2C1=O)N([O-])CCCCc1ccccc1 ZINC001161808003 1028321461 /nfs/dbraw/zinc/32/14/61/1028321461.db2.gz TWXXSTHLCNNMLD-UHFFFAOYSA-N -1 3 366.417 2.913 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3ccc(OC(F)F)cc3)cc(=O)c2c1 ZINC001154559194 1028355003 /nfs/dbraw/zinc/35/50/03/1028355003.db2.gz HPDOVBAYHRVOLH-UHFFFAOYSA-N -1 3 369.327 2.931 20 30 FFEDHM COC(=O)c1scc(C#N)c1NC(=O)c1cnc2cccc([O-])c2c1 ZINC001155533333 1028779741 /nfs/dbraw/zinc/77/97/41/1028779741.db2.gz VKRMKUZPBTXODQ-UHFFFAOYSA-N -1 3 353.359 2.912 20 30 FFEDHM C#CC(C)(C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780938484 1028881663 /nfs/dbraw/zinc/88/16/63/1028881663.db2.gz MGTSWKWKCRHVTR-GOSISDBHSA-N -1 3 350.418 2.781 20 30 FFEDHM CC(=O)NCc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001163764992 1029052980 /nfs/dbraw/zinc/05/29/80/1029052980.db2.gz JGZKSYNJKLCFKZ-UHFFFAOYSA-N -1 3 368.315 2.864 20 30 FFEDHM CSc1nc(-c2ccccc2)nc(NCCCc2c[n-][nH]c2=O)c1C#N ZINC001156278331 1029123630 /nfs/dbraw/zinc/12/36/30/1029123630.db2.gz HLYUJQGWIPCYLI-ZDUSSCGKSA-N -1 3 366.450 2.661 20 30 FFEDHM N#Cc1c[nH]c2c1cccc2C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001157165901 1029489201 /nfs/dbraw/zinc/48/92/01/1029489201.db2.gz SHXJYHMZQPQOSH-UHFFFAOYSA-N -1 3 370.372 2.835 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCCn2nnc3ccccc32)n1 ZINC001158080933 1029728461 /nfs/dbraw/zinc/72/84/61/1029728461.db2.gz XSRGEUMMTZDAQJ-CAOOACKPSA-N -1 3 363.834 2.517 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)O[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000783371262 1030058280 /nfs/dbraw/zinc/05/82/80/1030058280.db2.gz CYHQGBZPBXQUAR-AWEZNQCLSA-N -1 3 352.390 2.997 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2c(C)noc2C)c(C)c1[O-] ZINC001142201256 1030142526 /nfs/dbraw/zinc/14/25/26/1030142526.db2.gz DCAPQQAOACOOHJ-UHFFFAOYSA-N -1 3 357.366 2.535 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cn(C(C)C)nn1 ZINC000796749429 1030904067 /nfs/dbraw/zinc/90/40/67/1030904067.db2.gz UWDWOKIURUGFJJ-HNNXBMFYSA-N -1 3 353.426 2.945 20 30 FFEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccoc1C1CC1 ZINC000798816422 1031554493 /nfs/dbraw/zinc/55/44/93/1031554493.db2.gz KVCIYGPOOUTDNV-AWEZNQCLSA-N -1 3 352.346 2.889 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2F)[n-]1 ZINC001225470150 1034267421 /nfs/dbraw/zinc/26/74/21/1034267421.db2.gz SJSJJOUNZIQIOR-OCCSQVGLSA-N -1 3 351.378 2.694 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc(COC)nc(=S)[n-]1 ZINC001225936195 1034459967 /nfs/dbraw/zinc/45/99/67/1034459967.db2.gz XFCHIMUWAUYRDP-ZDUSSCGKSA-N -1 3 367.471 2.856 20 30 FFEDHM N#CCCCNC(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001277096698 1034512357 /nfs/dbraw/zinc/51/23/57/1034512357.db2.gz ACINKGKRIWWFPQ-CQSZACIVSA-N -1 3 363.408 2.692 20 30 FFEDHM COc1ccc(CN2CCN(c3cc(C#N)ccn3)CC2)c(Cl)c1[O-] ZINC001233400290 1036601503 /nfs/dbraw/zinc/60/15/03/1036601503.db2.gz CHPOZFXXVVBMPK-UHFFFAOYSA-N -1 3 358.829 2.643 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001233802059 1036769386 /nfs/dbraw/zinc/76/93/86/1036769386.db2.gz GHDOXFKTAXSVOW-IUOVYFEOSA-N -1 3 356.422 2.783 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@@H](C#N)N(C(=O)OC(C)(C)C)C1 ZINC001233802971 1036770608 /nfs/dbraw/zinc/77/06/08/1036770608.db2.gz KJKWZLSDEKCABD-UOSQKUFASA-N -1 3 361.398 2.784 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(C1)OCC[C@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234140947 1036938075 /nfs/dbraw/zinc/93/80/75/1036938075.db2.gz MSNWWHUIKMRDOZ-VQIMIIECSA-N -1 3 360.410 2.811 20 30 FFEDHM C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(OC)c(C(=O)[O-])c1)C2 ZINC001231753588 1037879928 /nfs/dbraw/zinc/87/99/28/1037879928.db2.gz YAVWOMPGYBDBOP-OXJNMPFZSA-N -1 3 361.438 2.720 20 30 FFEDHM N#CCCCN1CCC2(CCN(Cc3cc(F)c([O-])cc3F)CC2)C1=O ZINC001276565730 1038145411 /nfs/dbraw/zinc/14/54/11/1038145411.db2.gz GXOZEGVXKUEZSH-UHFFFAOYSA-N -1 3 363.408 2.789 20 30 FFEDHM C=C(C)CN1C(=O)C[C@]2(CCCN(Cc3cc([O-])c(F)c(F)c3)C2)C1=O ZINC001278009322 1038263210 /nfs/dbraw/zinc/26/32/10/1038263210.db2.gz NZDFCJQORBXKQQ-IBGZPJMESA-N -1 3 364.392 2.588 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001258156589 1039235853 /nfs/dbraw/zinc/23/58/53/1039235853.db2.gz TZWUQIZAKLAJEP-UHFFFAOYSA-N -1 3 373.821 2.944 20 30 FFEDHM C#CCCC1(CC[N-]S(=O)(=O)c2ccc(Br)s2)N=N1 ZINC001259063191 1039680654 /nfs/dbraw/zinc/68/06/54/1039680654.db2.gz YADHMCSBDITNRT-UHFFFAOYSA-N -1 3 362.274 2.755 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)nc2Br)c1 ZINC001259118807 1039729066 /nfs/dbraw/zinc/72/90/66/1039729066.db2.gz YVUTXNYQWRCQLZ-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259411948 1039984028 /nfs/dbraw/zinc/98/40/28/1039984028.db2.gz CLYNXYSOZDYYQV-UHFFFAOYSA-N -1 3 350.371 2.523 20 30 FFEDHM C=CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1CCCCC1 ZINC001259621028 1040118204 /nfs/dbraw/zinc/11/82/04/1040118204.db2.gz FEEQGMZQOANLAA-SFHVURJKSA-N -1 3 365.495 2.827 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)OCC ZINC001254752734 1040930035 /nfs/dbraw/zinc/93/00/35/1040930035.db2.gz AYPZHIAJUYZYMP-NSHDSACASA-N -1 3 369.336 2.631 20 30 FFEDHM CC(C)(C)Cc1nc2cc(NC(=O)N[C@H]3CCCN([O-])C3=O)ccc2o1 ZINC001215167050 1041685375 /nfs/dbraw/zinc/68/53/75/1041685375.db2.gz HVFIBOHDICZCQZ-LBPRGKRZSA-N -1 3 360.414 2.918 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H](CCF)C1 ZINC001263288367 1042222949 /nfs/dbraw/zinc/22/29/49/1042222949.db2.gz PZMPROXCFQOEIG-LLVKDONJSA-N -1 3 353.833 2.869 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H](CCF)C1 ZINC001263288367 1042222953 /nfs/dbraw/zinc/22/29/53/1042222953.db2.gz PZMPROXCFQOEIG-LLVKDONJSA-N -1 3 353.833 2.869 20 30 FFEDHM C#CC1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2cccs2)CC1 ZINC001263488636 1042339555 /nfs/dbraw/zinc/33/95/55/1042339555.db2.gz QYBBCNHHODLPPE-UHFFFAOYSA-N -1 3 373.873 2.676 20 30 FFEDHM C#CC1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2cccs2)CC1 ZINC001263488636 1042339561 /nfs/dbraw/zinc/33/95/61/1042339561.db2.gz QYBBCNHHODLPPE-UHFFFAOYSA-N -1 3 373.873 2.676 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)cc1F)c1ccc(F)cc1 ZINC001309523920 1043421323 /nfs/dbraw/zinc/42/13/23/1043421323.db2.gz OMSQHVTXHCHBMP-CQSZACIVSA-N -1 3 355.337 2.765 20 30 FFEDHM Cn1cc(CN2CC3(C2)CN(Cc2c([O-])ccc(F)c2Cl)C3)cc1C#N ZINC001279684775 1043465704 /nfs/dbraw/zinc/46/57/04/1043465704.db2.gz SMYVJTQYSVSUOP-UHFFFAOYSA-N -1 3 374.847 2.713 20 30 FFEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CC[C@@H]1CCc2ccccc21)C(=O)OC ZINC001309763142 1043513886 /nfs/dbraw/zinc/51/38/86/1043513886.db2.gz WTWMTBOVRNUCBC-RDJZCZTQSA-N -1 3 351.468 2.534 20 30 FFEDHM O=C(Nc1ccccc1N1CCc2ccccc21)N[C@@H]1CCCN([O-])C1=O ZINC001310085792 1043634813 /nfs/dbraw/zinc/63/48/13/1043634813.db2.gz VORMVLIYYWKTJY-MRXNPFEDSA-N -1 3 366.421 2.883 20 30 FFEDHM COc1cc(CN2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)ccc1C#N ZINC001238413287 1043694142 /nfs/dbraw/zinc/69/41/42/1043694142.db2.gz OGVCBGKJLKEMCO-HNNXBMFYSA-N -1 3 359.426 2.583 20 30 FFEDHM COc1cc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)ccc1C(=O)[O-] ZINC001240743387 1044419088 /nfs/dbraw/zinc/41/90/88/1044419088.db2.gz MFYGUNASAGMSNP-ZDUSSCGKSA-N -1 3 369.377 2.799 20 30 FFEDHM C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(Br)cn1 ZINC001321236200 1045596250 /nfs/dbraw/zinc/59/62/50/1045596250.db2.gz RBBYVBGBDWCTTA-VIFPVBQESA-N -1 3 366.240 2.644 20 30 FFEDHM CN1CCC(N=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c2ccccc21 ZINC001325847857 1046660798 /nfs/dbraw/zinc/66/07/98/1046660798.db2.gz YHVSKVAUCRLSRM-UHFFFAOYSA-N -1 3 365.441 2.943 20 30 FFEDHM CCCCCCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001289335194 1047634774 /nfs/dbraw/zinc/63/47/74/1047634774.db2.gz IJONTLARFCZJPN-GDBMZVCRSA-N -1 3 362.474 2.510 20 30 FFEDHM N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001332952902 1048641304 /nfs/dbraw/zinc/64/13/04/1048641304.db2.gz OBUXNQJBROZMSI-UHFFFAOYSA-N -1 3 372.375 2.574 20 30 FFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001330040592 1049015233 /nfs/dbraw/zinc/01/52/33/1049015233.db2.gz LFHVEOFDZIPWSB-CYBMUJFWSA-N -1 3 361.236 2.700 20 30 FFEDHM C=CC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)C(=O)[O-] ZINC001334182535 1049295879 /nfs/dbraw/zinc/29/58/79/1049295879.db2.gz NGUCGRVOLKSPKE-LSDHHAIUSA-N -1 3 365.499 2.850 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC(F)(F)CC1 ZINC001339853527 1050270515 /nfs/dbraw/zinc/27/05/15/1050270515.db2.gz IMNOIRNVJKCTOQ-UHFFFAOYSA-N -1 3 350.373 2.561 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001342197328 1050789098 /nfs/dbraw/zinc/78/90/98/1050789098.db2.gz GXLXMRLYYNFIAT-BBRMVZONSA-N -1 3 367.409 2.791 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(OC2CCC2)c1 ZINC001342585530 1051191808 /nfs/dbraw/zinc/19/18/08/1051191808.db2.gz VSQXVJZDINOIRE-OAHLLOKOSA-N -1 3 365.389 2.983 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1Cc2ccc(OC)cc2C1 ZINC001343314434 1052155528 /nfs/dbraw/zinc/15/55/28/1052155528.db2.gz FKCQCAPABRKTDG-UHFFFAOYSA-N -1 3 371.832 2.822 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1Cc2ccc(OC)cc2C1 ZINC001343314434 1052155535 /nfs/dbraw/zinc/15/55/35/1052155535.db2.gz FKCQCAPABRKTDG-UHFFFAOYSA-N -1 3 371.832 2.822 20 30 FFEDHM C=CC1CCN(c2nnc(-c3cnc[n-]c3=O)n2Cc2cccs2)CC1 ZINC001343593183 1052325461 /nfs/dbraw/zinc/32/54/61/1052325461.db2.gz HSGIGMQWELYLOW-UHFFFAOYSA-N -1 3 368.466 2.953 20 30 FFEDHM COCCn1cc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c(C)n1 ZINC001343703945 1052380656 /nfs/dbraw/zinc/38/06/56/1052380656.db2.gz FRCBYBLCKSQXTE-KRWDZBQOSA-N -1 3 363.421 2.573 20 30 FFEDHM C#C[C@H]1CCCCN1c1nnc(-c2nnc(Cl)[n-]2)n1Cc1cccs1 ZINC001345960255 1052685456 /nfs/dbraw/zinc/68/54/56/1052685456.db2.gz NZMDYOYZVACHIB-NSHDSACASA-N -1 3 373.873 2.819 20 30 FFEDHM C#C[C@H]1CCCCN1c1nnc(-c2n[n-]c(Cl)n2)n1Cc1cccs1 ZINC001345960255 1052685458 /nfs/dbraw/zinc/68/54/58/1052685458.db2.gz NZMDYOYZVACHIB-NSHDSACASA-N -1 3 373.873 2.819 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCc2ccsc2C1 ZINC001345994659 1052699471 /nfs/dbraw/zinc/69/94/71/1052699471.db2.gz SXCUWSOROUXJDP-UHFFFAOYSA-N -1 3 361.862 2.917 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCc2ccsc2C1 ZINC001345994659 1052699474 /nfs/dbraw/zinc/69/94/74/1052699474.db2.gz SXCUWSOROUXJDP-UHFFFAOYSA-N -1 3 361.862 2.917 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC001542905789 1071333821 /nfs/dbraw/zinc/33/38/21/1071333821.db2.gz FATOZNQCDMIMCH-INIZCTEOSA-N -1 3 355.344 2.572 20 30 FFEDHM C=CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC2CC2)C1 ZINC001346101672 1052748720 /nfs/dbraw/zinc/74/87/20/1052748720.db2.gz HJCPAUPHDOFOIF-AWEZNQCLSA-N -1 3 354.458 2.952 20 30 FFEDHM C=CCCCCCN(C)c1nnc(-c2cnc[n-]c2=O)n1C[C@H]1CCOC1 ZINC001346772885 1053297819 /nfs/dbraw/zinc/29/78/19/1053297819.db2.gz DXIHYIJDGGSTKO-OAHLLOKOSA-N -1 3 372.473 2.660 20 30 FFEDHM N#Cc1c([N-]C(=O)c2ncc(C(N)=O)cc2Cl)sc2c1CCCC2 ZINC001337133472 1054505814 /nfs/dbraw/zinc/50/58/14/1054505814.db2.gz XIXOSVYPIPNIRB-UHFFFAOYSA-N -1 3 360.826 2.898 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC001351723148 1054970104 /nfs/dbraw/zinc/97/01/04/1054970104.db2.gz OFXYGNIRVVZVGU-MRXNPFEDSA-N -1 3 362.437 2.838 20 30 FFEDHM CCn1ccnc1C(C#N)=C([O-])c1cnn(C(C)C)c1Br ZINC001349701691 1055421607 /nfs/dbraw/zinc/42/16/07/1055421607.db2.gz IXEQCLOHZDBYEO-SNVBAGLBSA-N -1 3 350.220 2.933 20 30 FFEDHM COC(=O)c1ccc2c(c1)[C@H](C/N=C\c1c([O-])c(C)ncc1CO)CCC2 ZINC000849170168 1056788731 /nfs/dbraw/zinc/78/87/31/1056788731.db2.gz LSNKSEUSOOAPOW-VBHHZLGVSA-N -1 3 368.433 2.914 20 30 FFEDHM Cn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC[C@](C)(C#N)C1 ZINC001519522296 1058797846 /nfs/dbraw/zinc/79/78/46/1058797846.db2.gz DYTYOVMNJMFYTH-LJQANCHMSA-N -1 3 363.425 2.503 20 30 FFEDHM C=C(C)COCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001545654565 1071828096 /nfs/dbraw/zinc/82/80/96/1071828096.db2.gz TWTCCKWSNSMMAC-UHFFFAOYSA-N -1 3 365.227 2.613 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000848137026 1059107188 /nfs/dbraw/zinc/10/71/88/1059107188.db2.gz WSIJWFIXYGVYBQ-GOSISDBHSA-N -1 3 365.433 2.881 20 30 FFEDHM Cc1ccc(-n2cc(C(=O)N[C@H]3CCCN([O-])C3=O)c(C(C)(C)C)n2)cc1 ZINC000848136289 1059108771 /nfs/dbraw/zinc/10/87/71/1059108771.db2.gz LZJQOELXWMOVRI-INIZCTEOSA-N -1 3 370.453 2.588 20 30 FFEDHM CCc1ccccc1O[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000848139609 1059115647 /nfs/dbraw/zinc/11/56/47/1059115647.db2.gz ZODRGDDGQHVHMT-IEBWSBKVSA-N -1 3 368.433 2.866 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)C(=O)C=Cc3ccc(F)cc3)nc21 ZINC001546065180 1059624552 /nfs/dbraw/zinc/62/45/52/1059624552.db2.gz HFNDJFUNDJNUJH-JXMROGBWSA-N -1 3 367.336 2.710 20 30 FFEDHM COC(=O)c1sc2[n-]c(CSc3cccnc3C#N)nc(=O)c2c1C ZINC001459070294 1060703022 /nfs/dbraw/zinc/70/30/22/1060703022.db2.gz GBMVIOALRRTNGT-UHFFFAOYSA-N -1 3 372.431 2.639 20 30 FFEDHM C=CCOc1cccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001476032812 1061334696 /nfs/dbraw/zinc/33/46/96/1061334696.db2.gz NJCOTFMEFUDIGA-UHFFFAOYSA-N -1 3 350.382 2.999 20 30 FFEDHM C=CCOc1cccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001476032812 1061334715 /nfs/dbraw/zinc/33/47/15/1061334715.db2.gz NJCOTFMEFUDIGA-UHFFFAOYSA-N -1 3 350.382 2.999 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)ccc1F ZINC001527725572 1061599458 /nfs/dbraw/zinc/59/94/58/1061599458.db2.gz MKGGGMUTTCSLPF-DZGCQCFKSA-N -1 3 368.474 2.845 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001462880016 1061819088 /nfs/dbraw/zinc/81/90/88/1061819088.db2.gz NDCRGRBABSGFGD-VWLOTQADSA-N -1 3 357.435 2.892 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)c1ccc(C)o1 ZINC001463437637 1062105353 /nfs/dbraw/zinc/10/53/53/1062105353.db2.gz OGOHGYBZRLLCBK-OAHLLOKOSA-N -1 3 366.414 2.963 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](OC)C3)n2CCOC)c1[O-] ZINC001522872950 1062315716 /nfs/dbraw/zinc/31/57/16/1062315716.db2.gz RLBFTWGHFSZHKI-INIZCTEOSA-N -1 3 372.469 2.641 20 30 FFEDHM CCOC(=O)[C@@H](CCCC(C)C)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001464484430 1062638484 /nfs/dbraw/zinc/63/84/84/1062638484.db2.gz QSNXMHWANUSETC-QGZVFWFLSA-N -1 3 366.483 2.736 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC001440972551 1063380805 /nfs/dbraw/zinc/38/08/05/1063380805.db2.gz YKRQOYUSPSVCSR-CYBMUJFWSA-N -1 3 357.435 2.747 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC001466796819 1063559884 /nfs/dbraw/zinc/55/98/84/1063559884.db2.gz YJPCVDROECLIPH-UHFFFAOYSA-N -1 3 354.316 2.909 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001468373547 1063975750 /nfs/dbraw/zinc/97/57/50/1063975750.db2.gz PLFNHMAIDLSKBD-CQSZACIVSA-N -1 3 364.760 2.991 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2[nH]ccc(=O)c2c1 ZINC001470789522 1064452751 /nfs/dbraw/zinc/45/27/51/1064452751.db2.gz QAPCTPMMMIQEAC-UHFFFAOYSA-N -1 3 362.389 2.689 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Cl)cc1C#N ZINC001579881090 1078705371 /nfs/dbraw/zinc/70/53/71/1078705371.db2.gz CDZIEOINYUDVHM-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Cl)cc1C#N ZINC001579881090 1078705373 /nfs/dbraw/zinc/70/53/73/1078705373.db2.gz CDZIEOINYUDVHM-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001579888934 1078709015 /nfs/dbraw/zinc/70/90/15/1078709015.db2.gz WDCLMRLLBFDCEP-UHFFFAOYSA-N -1 3 369.768 2.928 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001579888934 1078709018 /nfs/dbraw/zinc/70/90/18/1078709018.db2.gz WDCLMRLLBFDCEP-UHFFFAOYSA-N -1 3 369.768 2.928 20 30 FFEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2ncccc12 ZINC001581174027 1078929587 /nfs/dbraw/zinc/92/95/87/1078929587.db2.gz FTVKVVHWGZOLGM-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2ncccc12 ZINC001581174027 1078929590 /nfs/dbraw/zinc/92/95/90/1078929590.db2.gz FTVKVVHWGZOLGM-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1nc2c(cccc2NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001581532067 1078976330 /nfs/dbraw/zinc/97/63/30/1078976330.db2.gz SXGAQLZKTPCVBJ-CQSZACIVSA-N -1 3 373.376 2.637 20 30 FFEDHM Cc1nc2c(cccc2NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001581532067 1078976333 /nfs/dbraw/zinc/97/63/33/1078976333.db2.gz SXGAQLZKTPCVBJ-CQSZACIVSA-N -1 3 373.376 2.637 20 30 FFEDHM CCn1c(C)cc2n[n-]c(NC(=O)C3(c4ccc(C#N)cc4)CC3)c2c1=O ZINC001559001198 1076113055 /nfs/dbraw/zinc/11/30/55/1076113055.db2.gz JPNJONXSXWUUQF-UHFFFAOYSA-N -1 3 361.405 2.595 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC001559034762 1076118150 /nfs/dbraw/zinc/11/81/50/1076118150.db2.gz ORIUWLICAHETSR-SFHVURJKSA-N -1 3 353.463 2.675 20 30 FFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cc(F)cc(C#N)c2)n1 ZINC001561234195 1076349426 /nfs/dbraw/zinc/34/94/26/1076349426.db2.gz MBKQOSBDERCKOD-UHFFFAOYSA-N -1 3 353.444 2.930 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)ccc1C#N ZINC001561543586 1076390828 /nfs/dbraw/zinc/39/08/28/1076390828.db2.gz KLMXAGRWUOVGHH-UHFFFAOYSA-N -1 3 352.362 2.632 20 30 FFEDHM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC001561671535 1076405536 /nfs/dbraw/zinc/40/55/36/1076405536.db2.gz DLTMBKWJUCONSU-UHFFFAOYSA-N -1 3 370.839 2.538 20 30 FFEDHM C[C@H](N[C@H]1CCN(CC(=O)[O-])C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001573630485 1077759661 /nfs/dbraw/zinc/75/96/61/1077759661.db2.gz KLUXRDITMLSSDH-LIRRHRJNSA-N -1 3 363.417 2.561 20 30 FFEDHM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3ccc(C#N)cc3Cl)C2)cn1 ZINC001574453586 1077992087 /nfs/dbraw/zinc/99/20/87/1077992087.db2.gz IMCMMPLMLTYOJL-CABCVRRESA-N -1 3 358.829 2.635 20 30 FFEDHM C=C1CCC(C(=O)Nc2ncc(S(=O)(=O)[N-]C(C)(C)C)s2)CC1 ZINC001588300005 1079966923 /nfs/dbraw/zinc/96/69/23/1079966923.db2.gz ZQMDGOXJUTXJLB-UHFFFAOYSA-N -1 3 357.501 2.905 20 30 FFEDHM C#C[C@H](C)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588325575 1079984001 /nfs/dbraw/zinc/98/40/01/1079984001.db2.gz PBAKADASUBTPBY-LBPRGKRZSA-N -1 3 363.381 2.539 20 30 FFEDHM C#C[C@H](C)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588325575 1079984007 /nfs/dbraw/zinc/98/40/07/1079984007.db2.gz PBAKADASUBTPBY-LBPRGKRZSA-N -1 3 363.381 2.539 20 30 FFEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001588325740 1079984199 /nfs/dbraw/zinc/98/41/99/1079984199.db2.gz UNVASJYJIALOMM-GFCCVEGCSA-N -1 3 363.381 2.539 20 30 FFEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001588325740 1079984203 /nfs/dbraw/zinc/98/42/03/1079984203.db2.gz UNVASJYJIALOMM-GFCCVEGCSA-N -1 3 363.381 2.539 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001588330058 1079987791 /nfs/dbraw/zinc/98/77/91/1079987791.db2.gz UEKATXZIGYWAAZ-OAHLLOKOSA-N -1 3 354.320 2.641 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001588330058 1079987795 /nfs/dbraw/zinc/98/77/95/1079987795.db2.gz UEKATXZIGYWAAZ-OAHLLOKOSA-N -1 3 354.320 2.641 20 30 FFEDHM C#CCCCc1nnc(N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1CC ZINC001588345424 1079989928 /nfs/dbraw/zinc/98/99/28/1079989928.db2.gz FVUHHPRBNWLKNG-CQSZACIVSA-N -1 3 364.457 2.631 20 30 FFEDHM C#CCCCc1nnc(N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1CC ZINC001588345424 1079989938 /nfs/dbraw/zinc/98/99/38/1079989938.db2.gz FVUHHPRBNWLKNG-CQSZACIVSA-N -1 3 364.457 2.631 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001588347427 1079990845 /nfs/dbraw/zinc/99/08/45/1079990845.db2.gz OMSYWXBEUPKPHS-UHFFFAOYSA-N -1 3 351.341 2.660 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001588347427 1079990850 /nfs/dbraw/zinc/99/08/50/1079990850.db2.gz OMSYWXBEUPKPHS-UHFFFAOYSA-N -1 3 351.341 2.660 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588351718 1079991610 /nfs/dbraw/zinc/99/16/10/1079991610.db2.gz GJGKOKQJTGQKTP-OAHLLOKOSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588351718 1079991616 /nfs/dbraw/zinc/99/16/16/1079991616.db2.gz GJGKOKQJTGQKTP-OAHLLOKOSA-N -1 3 360.421 2.773 20 30 FFEDHM C#CCOc1ccc(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588363488 1079993422 /nfs/dbraw/zinc/99/34/22/1079993422.db2.gz IXEHEKKBOGRIHV-UHFFFAOYSA-N -1 3 361.405 2.544 20 30 FFEDHM C#CCOc1ccc(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588363488 1079993430 /nfs/dbraw/zinc/99/34/30/1079993430.db2.gz IXEHEKKBOGRIHV-UHFFFAOYSA-N -1 3 361.405 2.544 20 30 FFEDHM C#CCOc1cccc(Cl)c1CNCc1cc(-c2nn[n-]n2)ccc1F ZINC001588361639 1079993874 /nfs/dbraw/zinc/99/38/74/1079993874.db2.gz DQSQHFWTWVQQGU-UHFFFAOYSA-N -1 3 371.803 2.961 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588392709 1080005485 /nfs/dbraw/zinc/00/54/85/1080005485.db2.gz GXNPGDYXHUXNHT-KGLIPLIRSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588392709 1080005495 /nfs/dbraw/zinc/00/54/95/1080005495.db2.gz GXNPGDYXHUXNHT-KGLIPLIRSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001588393342 1080005687 /nfs/dbraw/zinc/00/56/87/1080005687.db2.gz OFLSFWCFKCDWJR-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001588393342 1080005696 /nfs/dbraw/zinc/00/56/96/1080005696.db2.gz OFLSFWCFKCDWJR-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001588393918 1080006450 /nfs/dbraw/zinc/00/64/50/1080006450.db2.gz SUWWJRPNBSUMMC-SNVBAGLBSA-N -1 3 363.491 2.541 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588394013 1080007546 /nfs/dbraw/zinc/00/75/46/1080007546.db2.gz TVRDCANCNCKMRS-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588394013 1080007554 /nfs/dbraw/zinc/00/75/54/1080007554.db2.gz TVRDCANCNCKMRS-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1)c1ccc(F)c(F)c1 ZINC001588400785 1080009921 /nfs/dbraw/zinc/00/99/21/1080009921.db2.gz FXLZHVVUTFOJDJ-INIZCTEOSA-N -1 3 370.363 2.896 20 30 FFEDHM C=C(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1)c1ccc(F)c(F)c1 ZINC001588400785 1080009931 /nfs/dbraw/zinc/00/99/31/1080009931.db2.gz FXLZHVVUTFOJDJ-INIZCTEOSA-N -1 3 370.363 2.896 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001588411992 1080014840 /nfs/dbraw/zinc/01/48/40/1080014840.db2.gz OUXDETUCJNNNJV-OAHLLOKOSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001588411992 1080014851 /nfs/dbraw/zinc/01/48/51/1080014851.db2.gz OUXDETUCJNNNJV-OAHLLOKOSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588431150 1080025753 /nfs/dbraw/zinc/02/57/53/1080025753.db2.gz WGEHPXYBXUWHLG-UHFFFAOYSA-N -1 3 371.470 2.924 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)CCCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588454677 1080033063 /nfs/dbraw/zinc/03/30/63/1080033063.db2.gz FPJQPWLNKAMDPO-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)CCCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588454677 1080033071 /nfs/dbraw/zinc/03/30/71/1080033071.db2.gz FPJQPWLNKAMDPO-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H](CC)C1 ZINC001588469160 1080038748 /nfs/dbraw/zinc/03/87/48/1080038748.db2.gz XFYOHRCOSCSPIX-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H](CC)C1 ZINC001588469160 1080038756 /nfs/dbraw/zinc/03/87/56/1080038756.db2.gz XFYOHRCOSCSPIX-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC(CC)(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588468708 1080039205 /nfs/dbraw/zinc/03/92/05/1080039205.db2.gz NXHAEKCPDWTWFY-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC(CC)(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588468708 1080039212 /nfs/dbraw/zinc/03/92/12/1080039212.db2.gz NXHAEKCPDWTWFY-UHFFFAOYSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588474188 1080040013 /nfs/dbraw/zinc/04/00/13/1080040013.db2.gz DNKDNGNMKVHUGL-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588474188 1080040025 /nfs/dbraw/zinc/04/00/25/1080040025.db2.gz DNKDNGNMKVHUGL-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC001588475418 1080042002 /nfs/dbraw/zinc/04/20/02/1080042002.db2.gz NORUYMNNSHMOPR-GXTWGEPZSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC001588475418 1080042008 /nfs/dbraw/zinc/04/20/08/1080042008.db2.gz NORUYMNNSHMOPR-GXTWGEPZSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001588476476 1080044412 /nfs/dbraw/zinc/04/44/12/1080044412.db2.gz XECZRNFPPKKJMG-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001588476476 1080044419 /nfs/dbraw/zinc/04/44/19/1080044419.db2.gz XECZRNFPPKKJMG-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588496118 1080060183 /nfs/dbraw/zinc/06/01/83/1080060183.db2.gz NIVFDAXAMREGTR-SPYBWZPUSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588496118 1080060193 /nfs/dbraw/zinc/06/01/93/1080060193.db2.gz NIVFDAXAMREGTR-SPYBWZPUSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001588521439 1080072570 /nfs/dbraw/zinc/07/25/70/1080072570.db2.gz NJWLEXUZLFPLEJ-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001588521439 1080072579 /nfs/dbraw/zinc/07/25/79/1080072579.db2.gz NJWLEXUZLFPLEJ-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588521239 1080072825 /nfs/dbraw/zinc/07/28/25/1080072825.db2.gz KBGZPWHEZUTFGZ-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588521239 1080072831 /nfs/dbraw/zinc/07/28/31/1080072831.db2.gz KBGZPWHEZUTFGZ-HUUCEWRRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC[C@H](C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588529545 1080080168 /nfs/dbraw/zinc/08/01/68/1080080168.db2.gz BWADDOGHSBKXNR-MOPGFXCFSA-N -1 3 359.433 2.810 20 30 FFEDHM C=CC[C@H](C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588529545 1080080176 /nfs/dbraw/zinc/08/01/76/1080080176.db2.gz BWADDOGHSBKXNR-MOPGFXCFSA-N -1 3 359.433 2.810 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588532311 1080080822 /nfs/dbraw/zinc/08/08/22/1080080822.db2.gz RULDOEBRPFGGEO-UHFFFAOYSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588532311 1080080832 /nfs/dbraw/zinc/08/08/32/1080080832.db2.gz RULDOEBRPFGGEO-UHFFFAOYSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588532841 1080081002 /nfs/dbraw/zinc/08/10/02/1080081002.db2.gz HNAYTUNKBIQLHP-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588532841 1080081010 /nfs/dbraw/zinc/08/10/10/1080081010.db2.gz HNAYTUNKBIQLHP-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C1 ZINC001588532364 1080081722 /nfs/dbraw/zinc/08/17/22/1080081722.db2.gz TUOMOWSBBBKDSA-HNNXBMFYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C1 ZINC001588532364 1080081729 /nfs/dbraw/zinc/08/17/29/1080081729.db2.gz TUOMOWSBBBKDSA-HNNXBMFYSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@@H](CC)C1 ZINC001588566206 1080101160 /nfs/dbraw/zinc/10/11/60/1080101160.db2.gz CDPQERPCEGZALO-HOCLYGCPSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@@H](CC)C1 ZINC001588566206 1080101164 /nfs/dbraw/zinc/10/11/64/1080101164.db2.gz CDPQERPCEGZALO-HOCLYGCPSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N(C)[C@H](CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001588582414 1080108444 /nfs/dbraw/zinc/10/84/44/1080108444.db2.gz JPRJWYGCNKXFMR-MRXNPFEDSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N(C)[C@H](CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001588582414 1080108448 /nfs/dbraw/zinc/10/84/48/1080108448.db2.gz JPRJWYGCNKXFMR-MRXNPFEDSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)CC1 ZINC001588585702 1080110034 /nfs/dbraw/zinc/11/00/34/1080110034.db2.gz VWSMNFBJGWCORS-GOSISDBHSA-N -1 3 359.470 2.851 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H](CC)C1 ZINC001588587979 1080111476 /nfs/dbraw/zinc/11/14/76/1080111476.db2.gz AZJDRAXEEQLSKK-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H](CC)C1 ZINC001588587979 1080111482 /nfs/dbraw/zinc/11/14/82/1080111482.db2.gz AZJDRAXEEQLSKK-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588588642 1080112479 /nfs/dbraw/zinc/11/24/79/1080112479.db2.gz VIRLSWMCIDALES-ZBFHGGJFSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588588642 1080112484 /nfs/dbraw/zinc/11/24/84/1080112484.db2.gz VIRLSWMCIDALES-ZBFHGGJFSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCONC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588617875 1080123969 /nfs/dbraw/zinc/12/39/69/1080123969.db2.gz FKMVQMMMPOWANC-UHFFFAOYSA-N -1 3 365.393 2.683 20 30 FFEDHM C=CCCONC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588617875 1080123973 /nfs/dbraw/zinc/12/39/73/1080123973.db2.gz FKMVQMMMPOWANC-UHFFFAOYSA-N -1 3 365.393 2.683 20 30 FFEDHM C=CCCSCCNC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588618181 1080124017 /nfs/dbraw/zinc/12/40/17/1080124017.db2.gz XOSMYKIDAHPLSP-UHFFFAOYSA-N -1 3 372.498 2.854 20 30 FFEDHM C=CCCSCCNC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588618181 1080124021 /nfs/dbraw/zinc/12/40/21/1080124021.db2.gz XOSMYKIDAHPLSP-UHFFFAOYSA-N -1 3 372.498 2.854 20 30 FFEDHM C=CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1F ZINC001588627985 1080127320 /nfs/dbraw/zinc/12/73/20/1080127320.db2.gz NEYPLGQVNPPUAM-UHFFFAOYSA-N -1 3 366.400 2.633 20 30 FFEDHM C=CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1F ZINC001588627985 1080127324 /nfs/dbraw/zinc/12/73/24/1080127324.db2.gz NEYPLGQVNPPUAM-UHFFFAOYSA-N -1 3 366.400 2.633 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](OC)C1CCCC1 ZINC001588638948 1080132051 /nfs/dbraw/zinc/13/20/51/1080132051.db2.gz KENXTHNYAMQXRJ-KRWDZBQOSA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](OC)C1CCCC1 ZINC001588638948 1080132054 /nfs/dbraw/zinc/13/20/54/1080132054.db2.gz KENXTHNYAMQXRJ-KRWDZBQOSA-N -1 3 355.442 2.587 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(CC)s1 ZINC001588648197 1080137968 /nfs/dbraw/zinc/13/79/68/1080137968.db2.gz LBEPKOJNAIZPRP-UHFFFAOYSA-N -1 3 354.439 2.714 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(CC)s1 ZINC001588648197 1080137971 /nfs/dbraw/zinc/13/79/71/1080137971.db2.gz LBEPKOJNAIZPRP-UHFFFAOYSA-N -1 3 354.439 2.714 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccn(CC)c1C ZINC001588648156 1080138014 /nfs/dbraw/zinc/13/80/14/1080138014.db2.gz JVNCJBIYNSDIMB-UHFFFAOYSA-N -1 3 350.426 2.825 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccn(CC)c1C ZINC001588648156 1080138020 /nfs/dbraw/zinc/13/80/20/1080138020.db2.gz JVNCJBIYNSDIMB-UHFFFAOYSA-N -1 3 350.426 2.825 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C#N)c(OC)c1 ZINC001588648510 1080138500 /nfs/dbraw/zinc/13/85/00/1080138500.db2.gz QCWXWXHQWQWLAV-UHFFFAOYSA-N -1 3 374.404 2.575 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C#N)c(OC)c1 ZINC001588648510 1080138503 /nfs/dbraw/zinc/13/85/03/1080138503.db2.gz QCWXWXHQWQWLAV-UHFFFAOYSA-N -1 3 374.404 2.575 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccsc1COC ZINC001588648870 1080139642 /nfs/dbraw/zinc/13/96/42/1080139642.db2.gz VUULXFVNYGFPEZ-UHFFFAOYSA-N -1 3 369.450 2.903 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccsc1COC ZINC001588648870 1080139649 /nfs/dbraw/zinc/13/96/49/1080139649.db2.gz VUULXFVNYGFPEZ-UHFFFAOYSA-N -1 3 369.450 2.903 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(C)sc1=S ZINC001588652082 1080142380 /nfs/dbraw/zinc/14/23/80/1080142380.db2.gz IKIVMWZZFXWWDV-UHFFFAOYSA-N -1 3 359.484 2.808 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(C)sc1=S ZINC001588652082 1080142383 /nfs/dbraw/zinc/14/23/83/1080142383.db2.gz IKIVMWZZFXWWDV-UHFFFAOYSA-N -1 3 359.484 2.808 20 30 FFEDHM C=CCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001588689747 1080156350 /nfs/dbraw/zinc/15/63/50/1080156350.db2.gz LWTUSPXOPRMMCS-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM C=CCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001588689747 1080156356 /nfs/dbraw/zinc/15/63/56/1080156356.db2.gz LWTUSPXOPRMMCS-UHFFFAOYSA-N -1 3 353.357 2.501 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776505 1080190916 /nfs/dbraw/zinc/19/09/16/1080190916.db2.gz PRNXZYBNDXYHSF-BFQNTYOBSA-N -1 3 371.514 2.880 20 30 FFEDHM CC(=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776505 1080190921 /nfs/dbraw/zinc/19/09/21/1080190921.db2.gz PRNXZYBNDXYHSF-BFQNTYOBSA-N -1 3 371.514 2.880 20 30 FFEDHM C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588910055 1080258200 /nfs/dbraw/zinc/25/82/00/1080258200.db2.gz IHEUZTNGMCAZKH-AWEZNQCLSA-N -1 3 373.457 2.509 20 30 FFEDHM CC(C)(C)OCc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)no1 ZINC001589198813 1080413510 /nfs/dbraw/zinc/41/35/10/1080413510.db2.gz PNYVRHQZGPCASQ-UHFFFAOYSA-N -1 3 353.386 2.654 20 30 FFEDHM CC(C)(C)OCc1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)no1 ZINC001589198813 1080413514 /nfs/dbraw/zinc/41/35/14/1080413514.db2.gz PNYVRHQZGPCASQ-UHFFFAOYSA-N -1 3 353.386 2.654 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)N2CCC(C#N)CC2)c1-c1nnn[n-]1 ZINC001589237344 1080439124 /nfs/dbraw/zinc/43/91/24/1080439124.db2.gz QQARUIGQQDEYJK-UHFFFAOYSA-N -1 3 359.459 2.993 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)N2CCC(C#N)CC2)c1-c1nn[n-]n1 ZINC001589237344 1080439128 /nfs/dbraw/zinc/43/91/28/1080439128.db2.gz QQARUIGQQDEYJK-UHFFFAOYSA-N -1 3 359.459 2.993 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(C#N)cc1F ZINC001589625958 1080641010 /nfs/dbraw/zinc/64/10/10/1080641010.db2.gz LSBZKXIQSVWZPL-UHFFFAOYSA-N -1 3 351.389 2.935 20 30 FFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(C#N)cc1F ZINC001589625958 1080641014 /nfs/dbraw/zinc/64/10/14/1080641014.db2.gz LSBZKXIQSVWZPL-UHFFFAOYSA-N -1 3 351.389 2.935 20 30 FFEDHM CC(C)N(C)c1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cn1 ZINC001589678256 1080665242 /nfs/dbraw/zinc/66/52/42/1080665242.db2.gz ATOPVBOKQPTYAC-PXNMLYILSA-N -1 3 360.421 2.929 20 30 FFEDHM CC(C)N(C)c1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cn1 ZINC001589678256 1080665246 /nfs/dbraw/zinc/66/52/46/1080665246.db2.gz ATOPVBOKQPTYAC-PXNMLYILSA-N -1 3 360.421 2.929 20 30 FFEDHM CC(C)c1ccc(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001589768391 1080722833 /nfs/dbraw/zinc/72/28/33/1080722833.db2.gz DXUCAMURJLEKLQ-IBGZPJMESA-N -1 3 374.448 2.989 20 30 FFEDHM C[C@H](CCC(C)(C)C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589804884 1080761071 /nfs/dbraw/zinc/76/10/71/1080761071.db2.gz DHDZJOFLYNFUHN-CZUORRHYSA-N -1 3 354.458 2.880 20 30 FFEDHM C[C@H](CCCCNc1cccc(F)c1-c1nnn[n-]1)NC(=O)C#CC1CC1 ZINC001589807706 1080765670 /nfs/dbraw/zinc/76/56/70/1080765670.db2.gz GJUDRPPQHXJIQV-CYBMUJFWSA-N -1 3 370.432 2.506 20 30 FFEDHM C[C@H](CCCCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C#CC1CC1 ZINC001589807706 1080765677 /nfs/dbraw/zinc/76/56/77/1080765677.db2.gz GJUDRPPQHXJIQV-CYBMUJFWSA-N -1 3 370.432 2.506 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2cccc(C#N)c2C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589930852 1080871796 /nfs/dbraw/zinc/87/17/96/1080871796.db2.gz HFFRLMTZIZXSRE-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2cccc(C#N)c2C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589930852 1080871802 /nfs/dbraw/zinc/87/18/02/1080871802.db2.gz HFFRLMTZIZXSRE-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1cccc(-c2nnn[n-]2)c1 ZINC001589941777 1080885034 /nfs/dbraw/zinc/88/50/34/1080885034.db2.gz XHTCBTDDWWRPMN-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1cccc(-c2nn[n-]n2)c1 ZINC001589941777 1080885040 /nfs/dbraw/zinc/88/50/40/1080885040.db2.gz XHTCBTDDWWRPMN-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590033326 1080958036 /nfs/dbraw/zinc/95/80/36/1080958036.db2.gz SKYQXJLAQGHXMZ-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590033326 1080958041 /nfs/dbraw/zinc/95/80/41/1080958041.db2.gz SKYQXJLAQGHXMZ-SNVBAGLBSA-N -1 3 368.397 2.997 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC001590042262 1080967382 /nfs/dbraw/zinc/96/73/82/1080967382.db2.gz CLWIVHZQCQAIRL-JTQLQIEISA-N -1 3 368.347 2.850 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC001590042262 1080967385 /nfs/dbraw/zinc/96/73/85/1080967385.db2.gz CLWIVHZQCQAIRL-JTQLQIEISA-N -1 3 368.347 2.850 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001590050715 1080979141 /nfs/dbraw/zinc/97/91/41/1080979141.db2.gz STDKUHVCPINGKD-LLVKDONJSA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001590050715 1080979147 /nfs/dbraw/zinc/97/91/47/1080979147.db2.gz STDKUHVCPINGKD-LLVKDONJSA-N -1 3 350.357 2.711 20 30 FFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)NCc3ccc([O-])c(F)c3)C2)c(F)c1 ZINC000287247396 257079534 /nfs/dbraw/zinc/07/95/34/257079534.db2.gz JZKGQBDGSCVNNR-CQSZACIVSA-N -1 3 357.360 2.685 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000290511220 257337234 /nfs/dbraw/zinc/33/72/34/257337234.db2.gz GRRXKGKQSHAXAV-SJLPKXTDSA-N -1 3 357.454 2.624 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000330120357 258155629 /nfs/dbraw/zinc/15/56/29/258155629.db2.gz AZYBQSYFRIQCLQ-OAHLLOKOSA-N -1 3 352.431 2.858 20 30 FFEDHM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000330489420 258164796 /nfs/dbraw/zinc/16/47/96/258164796.db2.gz KQIMAPYRTCRTOW-MLGOLLRUSA-N -1 3 370.858 2.612 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1cnn(C)c1 ZINC000328861872 258122817 /nfs/dbraw/zinc/12/28/17/258122817.db2.gz ASVGSFOYWTWWCF-SFHVURJKSA-N -1 3 367.453 2.696 20 30 FFEDHM Cc1ccccc1C[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000054578101 506579371 /nfs/dbraw/zinc/57/93/71/506579371.db2.gz KCYKILIROXHEFL-AWEZNQCLSA-N -1 3 351.450 2.852 20 30 FFEDHM O=C(Cc1csc(-c2cnccn2)n1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000066629099 506585310 /nfs/dbraw/zinc/58/53/10/506585310.db2.gz WGQUOLNLCVSARV-UHFFFAOYSA-N -1 3 355.305 2.568 20 30 FFEDHM O=C(Cc1csc(-c2cnccn2)n1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000066629099 506585316 /nfs/dbraw/zinc/58/53/16/506585316.db2.gz WGQUOLNLCVSARV-UHFFFAOYSA-N -1 3 355.305 2.568 20 30 FFEDHM CCN(Cc1ccc(OC)cc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000045398252 506959546 /nfs/dbraw/zinc/95/95/46/506959546.db2.gz FXOVOEUYVOUCOX-UHFFFAOYSA-N -1 3 367.449 2.853 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000047189474 507279877 /nfs/dbraw/zinc/27/98/77/507279877.db2.gz UQJKCVBDLBITKL-UGSOOPFHSA-N -1 3 359.470 2.508 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000048315780 507500005 /nfs/dbraw/zinc/50/00/05/507500005.db2.gz UVMVBAAUPWRQIP-UHFFFAOYSA-N -1 3 373.434 2.726 20 30 FFEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000061432310 507614027 /nfs/dbraw/zinc/61/40/27/507614027.db2.gz WLPOKEBHHYZQRD-UHFFFAOYSA-N -1 3 354.391 2.509 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3scnc3C3CC3)n2)cc1 ZINC000089823023 507870745 /nfs/dbraw/zinc/87/07/45/507870745.db2.gz HXUBRYULHLCCEC-UHFFFAOYSA-N -1 3 350.407 2.784 20 30 FFEDHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000090394311 507917007 /nfs/dbraw/zinc/91/70/07/507917007.db2.gz CZBZNGAHBYJGID-UHFFFAOYSA-N -1 3 355.320 2.503 20 30 FFEDHM CC(=O)N(CCc1ccccc1)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000090394311 507917010 /nfs/dbraw/zinc/91/70/10/507917010.db2.gz CZBZNGAHBYJGID-UHFFFAOYSA-N -1 3 355.320 2.503 20 30 FFEDHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000075274648 508093247 /nfs/dbraw/zinc/09/32/47/508093247.db2.gz KPFIBPXDJKJNKZ-NSHDSACASA-N -1 3 361.398 2.560 20 30 FFEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])CCN1CC(F)(F)F ZINC000111998062 508142562 /nfs/dbraw/zinc/14/25/62/508142562.db2.gz SEJNINJKXPPSNU-KNSSQWPOSA-N -1 3 365.149 2.737 20 30 FFEDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000076839188 508257648 /nfs/dbraw/zinc/25/76/48/508257648.db2.gz ANVUPOIRRLWKOX-UHFFFAOYSA-N -1 3 364.398 2.913 20 30 FFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000076946915 508265777 /nfs/dbraw/zinc/26/57/77/508265777.db2.gz BFWRZLSSWVDSRY-JTQLQIEISA-N -1 3 359.352 2.983 20 30 FFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000076946915 508265779 /nfs/dbraw/zinc/26/57/79/508265779.db2.gz BFWRZLSSWVDSRY-JTQLQIEISA-N -1 3 359.352 2.983 20 30 FFEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cn1 ZINC000102115725 508267954 /nfs/dbraw/zinc/26/79/54/508267954.db2.gz JAESROQSBTZEON-HNNXBMFYSA-N -1 3 364.405 2.874 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])ccc1F ZINC000114795151 508347794 /nfs/dbraw/zinc/34/77/94/508347794.db2.gz ATXYXUZIXUXDHK-MRXNPFEDSA-N -1 3 353.353 2.646 20 30 FFEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c1 ZINC000121741507 508407999 /nfs/dbraw/zinc/40/79/99/508407999.db2.gz IUNSHYYYSXXGRW-GFCCVEGCSA-N -1 3 361.261 2.674 20 30 FFEDHM N#CCCCCS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000115584168 508412785 /nfs/dbraw/zinc/41/27/85/508412785.db2.gz AANKRILZRHKJRF-UHFFFAOYSA-N -1 3 354.819 2.503 20 30 FFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000121779925 508416749 /nfs/dbraw/zinc/41/67/49/508416749.db2.gz NHUGDFOUBYABTB-GFCCVEGCSA-N -1 3 361.261 2.674 20 30 FFEDHM N#Cc1cccc(NCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000156539244 508436169 /nfs/dbraw/zinc/43/61/69/508436169.db2.gz MQXKMKOXJDUKMJ-UHFFFAOYSA-N -1 3 360.211 2.755 20 30 FFEDHM CCO[C@@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000127385436 508442390 /nfs/dbraw/zinc/44/23/90/508442390.db2.gz DSGSDOQHXUPYBD-QZTJIDSGSA-N -1 3 371.481 2.602 20 30 FFEDHM CCCN(CCc1ccccn1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000115981665 508460522 /nfs/dbraw/zinc/46/05/22/508460522.db2.gz UXHBUNZRHYRMRQ-UHFFFAOYSA-N -1 3 366.465 2.672 20 30 FFEDHM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000122336701 508519384 /nfs/dbraw/zinc/51/93/84/508519384.db2.gz YHLJRWFWFVSALO-MRXNPFEDSA-N -1 3 365.437 2.634 20 30 FFEDHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000157082140 508520674 /nfs/dbraw/zinc/52/06/74/508520674.db2.gz HRLORQHNKUHNDI-UHFFFAOYSA-N -1 3 371.418 2.785 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCNc1ccc2ccccc2n1 ZINC000157726564 508603450 /nfs/dbraw/zinc/60/34/50/508603450.db2.gz CWONJGVCOKWBOP-UHFFFAOYSA-N -1 3 370.409 2.636 20 30 FFEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CNc3cccc(C#N)c3)cc2)n1 ZINC000154960626 508892460 /nfs/dbraw/zinc/89/24/60/508892460.db2.gz TWMXBXNHQBWWIL-UHFFFAOYSA-N -1 3 359.389 2.668 20 30 FFEDHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)s1 ZINC000155141619 508932969 /nfs/dbraw/zinc/93/29/69/508932969.db2.gz YLDFEQCTIQJPMM-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000155210520 508949713 /nfs/dbraw/zinc/94/97/13/508949713.db2.gz NPJPDNRKQBUPQD-UHFFFAOYSA-N -1 3 367.380 2.586 20 30 FFEDHM Cc1ccc(-c2nnc(NC(=O)CCc3c(C)nn(CCC#N)c3C)[n-]2)o1 ZINC000160180168 508950493 /nfs/dbraw/zinc/95/04/93/508950493.db2.gz IDYZAZNOZWTOBI-UHFFFAOYSA-N -1 3 367.413 2.671 20 30 FFEDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3c(C)nn(CCC#N)c3C)n2)o1 ZINC000160180168 508950495 /nfs/dbraw/zinc/95/04/95/508950495.db2.gz IDYZAZNOZWTOBI-UHFFFAOYSA-N -1 3 367.413 2.671 20 30 FFEDHM Cc1ccc(-c2nc(NC(=O)CCc3c(C)nn(CCC#N)c3C)n[n-]2)o1 ZINC000160180168 508950498 /nfs/dbraw/zinc/95/04/98/508950498.db2.gz IDYZAZNOZWTOBI-UHFFFAOYSA-N -1 3 367.413 2.671 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000156218017 509146241 /nfs/dbraw/zinc/14/62/41/509146241.db2.gz PPTGNGLZVBEECK-UHFFFAOYSA-N -1 3 363.420 2.537 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000156295321 509156393 /nfs/dbraw/zinc/15/63/93/509156393.db2.gz SKJWJZCJUOSDGN-QGZVFWFLSA-N -1 3 357.391 2.896 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC000162236293 509181108 /nfs/dbraw/zinc/18/11/08/509181108.db2.gz HBVAMOAZOSSJFG-ZDUSSCGKSA-N -1 3 365.433 2.574 20 30 FFEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1nccs1 ZINC000185732026 509327772 /nfs/dbraw/zinc/32/77/72/509327772.db2.gz OLVVLLZFUFRTAM-OAHLLOKOSA-N -1 3 351.453 2.627 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000165803643 509585292 /nfs/dbraw/zinc/58/52/92/509585292.db2.gz PZBNXAITNULMKN-MRVPVSSYSA-N -1 3 353.391 2.836 20 30 FFEDHM C=C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000264548002 509593048 /nfs/dbraw/zinc/59/30/48/509593048.db2.gz KFXPVMFRNREMOB-UHFFFAOYSA-N -1 3 354.447 2.695 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000166265288 509600006 /nfs/dbraw/zinc/60/00/06/509600006.db2.gz VJCJCCLVQAHZNI-ZIAGYGMSSA-N -1 3 358.822 2.532 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCC[C@@H](C)C1 ZINC000186283971 509621719 /nfs/dbraw/zinc/62/17/19/509621719.db2.gz MBBLVSGBXWQORT-OLZOCXBDSA-N -1 3 355.891 2.610 20 30 FFEDHM Cc1cc(C)c(N2CC[C@@H](/N=C/c3ccc(O)c([O-])c3O)C2=O)c(C)c1 ZINC000189649854 509681896 /nfs/dbraw/zinc/68/18/96/509681896.db2.gz FMZLWKBARKJIKO-SBUZPKSBSA-N -1 3 354.406 2.953 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000183264697 509686865 /nfs/dbraw/zinc/68/68/65/509686865.db2.gz GNHRBWNQBRNBGJ-ZDUSSCGKSA-N -1 3 363.266 2.594 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c(Cl)c1 ZINC000180146721 509778510 /nfs/dbraw/zinc/77/85/10/509778510.db2.gz DIFPBRNWEGLVRG-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM C#CCOc1ccccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000265099768 509861140 /nfs/dbraw/zinc/86/11/40/509861140.db2.gz ALHDJSDQNJXCCY-UHFFFAOYSA-N -1 3 363.417 2.537 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000253555434 509896187 /nfs/dbraw/zinc/89/61/87/509896187.db2.gz KCGUYUYFEMJRPW-ATZDWAIDSA-N -1 3 369.465 2.672 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1n[n-]c(COC)n1 ZINC000268470488 509952623 /nfs/dbraw/zinc/95/26/23/509952623.db2.gz HQZQDAAGQLWNFQ-LLVKDONJSA-N -1 3 352.485 2.708 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C[S@](C)=O)c1 ZINC000265340184 510001443 /nfs/dbraw/zinc/00/14/43/510001443.db2.gz XRFZWJSUQLBLIC-SANMLTNESA-N -1 3 371.462 2.726 20 30 FFEDHM C=C(C)CN(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000180671307 510046512 /nfs/dbraw/zinc/04/65/12/510046512.db2.gz UWQZABDMMQXZGR-UHFFFAOYSA-N -1 3 352.456 2.706 20 30 FFEDHM C=CCCCN(C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000265512996 510092514 /nfs/dbraw/zinc/09/25/14/510092514.db2.gz GICIDLVONJQIKE-UHFFFAOYSA-N -1 3 355.460 2.887 20 30 FFEDHM N#Cc1cc(Cl)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000187201099 510120279 /nfs/dbraw/zinc/12/02/79/510120279.db2.gz AGFPWCYTEXWQTP-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000177665707 510189624 /nfs/dbraw/zinc/18/96/24/510189624.db2.gz MCBRVWBNEXJGSC-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM N#Cc1cccnc1-n1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)cn1 ZINC000184274949 510233930 /nfs/dbraw/zinc/23/39/30/510233930.db2.gz IRNZGHBGJVFJNA-UHFFFAOYSA-N -1 3 359.389 2.976 20 30 FFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000181291781 510341735 /nfs/dbraw/zinc/34/17/35/510341735.db2.gz NARMAJDNGQYOIA-SSDOTTSWSA-N -1 3 360.242 2.664 20 30 FFEDHM CCS[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000175255366 510555148 /nfs/dbraw/zinc/55/51/48/510555148.db2.gz RAXQLXZEIQXSJQ-IAGOWNOFSA-N -1 3 361.511 2.977 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000178517583 510641782 /nfs/dbraw/zinc/64/17/82/510641782.db2.gz HKNSSHKCLBPONP-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000185083537 510675691 /nfs/dbraw/zinc/67/56/91/510675691.db2.gz PJCKDCFYDIBZNK-UAGWRWDDSA-N -1 3 374.915 2.570 20 30 FFEDHM N#Cc1ccc(C(=O)NCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000175826630 510810085 /nfs/dbraw/zinc/81/00/85/510810085.db2.gz OVVZQTNKFPLDNS-UHFFFAOYSA-N -1 3 363.295 2.651 20 30 FFEDHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)[N-]c2snc(C)c2C#N)c1 ZINC000297476238 510959911 /nfs/dbraw/zinc/95/99/11/510959911.db2.gz RROVVBXOWOMZDQ-SNVBAGLBSA-N -1 3 359.411 2.941 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CO)C1CCCCC1 ZINC000294503571 511087017 /nfs/dbraw/zinc/08/70/17/511087017.db2.gz JWDULKJGBLDOSJ-INIZCTEOSA-N -1 3 359.470 2.513 20 30 FFEDHM N#CCc1ccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289584349 511105260 /nfs/dbraw/zinc/10/52/60/511105260.db2.gz SWILYNCQVNSSMC-ZDUSSCGKSA-N -1 3 368.359 2.675 20 30 FFEDHM Cc1cc(C2CC2)nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000291587712 511257714 /nfs/dbraw/zinc/25/77/14/511257714.db2.gz KYONYSMPHWPOMK-UHFFFAOYSA-N -1 3 351.410 2.823 20 30 FFEDHM C=CCN(Cc1cc(Cl)c([O-])c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000283937135 511549415 /nfs/dbraw/zinc/54/94/15/511549415.db2.gz HQYKAJXYKWVQCB-ZDUSSCGKSA-N -1 3 359.875 2.619 20 30 FFEDHM COc1cccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cccc([O-])c2)c1 ZINC000284039466 511585348 /nfs/dbraw/zinc/58/53/48/511585348.db2.gz IXFJFLQRKLEBTK-UHFFFAOYSA-O -1 3 357.455 2.769 20 30 FFEDHM COc1ccc(C)cc1C(=O)C(C(=S)[N-]C1CC1)[n+]1cc([O-])ccc1C ZINC000299581534 511664208 /nfs/dbraw/zinc/66/42/08/511664208.db2.gz RDBMGAICFVPPHV-UHFFFAOYSA-O -1 3 371.482 2.996 20 30 FFEDHM C=C(C)CN(CC)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000299608279 511665476 /nfs/dbraw/zinc/66/54/76/511665476.db2.gz NZNGYSNMRJRMHJ-UHFFFAOYSA-N -1 3 358.442 2.679 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CCOCC2)CC1 ZINC000284375962 511701431 /nfs/dbraw/zinc/70/14/31/511701431.db2.gz FRZXDYXHMREHIY-UHFFFAOYSA-N -1 3 357.454 2.628 20 30 FFEDHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)C[C@H](C)C#N)cs2)c1 ZINC000274148463 511732933 /nfs/dbraw/zinc/73/29/33/511732933.db2.gz FCDLAYWFQUTFTB-GFCCVEGCSA-N -1 3 372.450 2.570 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c(C(F)(F)F)c1 ZINC000274187593 511747584 /nfs/dbraw/zinc/74/75/84/511747584.db2.gz LOYUSRMRVWHTGA-TZMCWYRMSA-N -1 3 374.384 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000274269709 511775400 /nfs/dbraw/zinc/77/54/00/511775400.db2.gz MIHLDVWFNGARGB-IRXDYDNUSA-N -1 3 359.470 2.917 20 30 FFEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C(C)C)[n+]1cccc([O-])c1Cl ZINC000274800570 511946505 /nfs/dbraw/zinc/94/65/05/511946505.db2.gz SEDFQZZHWRXNGE-UHFFFAOYSA-O -1 3 368.866 2.875 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@H]2CCCCS2)NC(=O)[N-]C1=O ZINC000329369797 512035212 /nfs/dbraw/zinc/03/52/12/512035212.db2.gz ILEZOJBMJODAAT-HWWQOWPSSA-N -1 3 354.476 2.683 20 30 FFEDHM C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000285223955 512044096 /nfs/dbraw/zinc/04/40/96/512044096.db2.gz APTCRBORTWZXDE-JQWIXIFHSA-N -1 3 362.373 2.528 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411401908 512618732 /nfs/dbraw/zinc/61/87/32/512618732.db2.gz OEINGEYWZMUMCJ-UHFFFAOYSA-N -1 3 367.453 2.989 20 30 FFEDHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CCC2 ZINC000372132800 512730547 /nfs/dbraw/zinc/73/05/47/512730547.db2.gz YEAFTYFNAOUWEV-LBPRGKRZSA-N -1 3 364.858 2.573 20 30 FFEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000421458533 513271269 /nfs/dbraw/zinc/27/12/69/513271269.db2.gz SXIRSVAUPIIQAQ-UHFFFAOYSA-N -1 3 352.462 2.826 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000425191138 513444773 /nfs/dbraw/zinc/44/47/73/513444773.db2.gz UYIKFQFOHMQCEZ-GXTWGEPZSA-N -1 3 372.874 2.726 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@@H](C[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000435437701 513588612 /nfs/dbraw/zinc/58/86/12/513588612.db2.gz LECHNRUYOSHPSO-RDJZCZTQSA-N -1 3 351.468 2.534 20 30 FFEDHM CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435441428 513589811 /nfs/dbraw/zinc/58/98/11/513589811.db2.gz BYYZBQZEHPXOCB-HNNXBMFYSA-N -1 3 364.492 2.700 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)c(Cl)c1 ZINC000451217370 513601148 /nfs/dbraw/zinc/60/11/48/513601148.db2.gz PDCWVMDGLMOIIL-UHFFFAOYSA-N -1 3 373.815 2.948 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccn(Cc3ccccc3)c2=O)s1 ZINC000435504678 513605927 /nfs/dbraw/zinc/60/59/27/513605927.db2.gz JRDYSDVZGLYJAP-UHFFFAOYSA-N -1 3 371.443 2.631 20 30 FFEDHM C=CCN(CC=C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000448315306 513732608 /nfs/dbraw/zinc/73/26/08/513732608.db2.gz ABJXNJRBUCDKSL-UHFFFAOYSA-N -1 3 366.464 2.634 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000416485068 513796322 /nfs/dbraw/zinc/79/63/22/513796322.db2.gz YURCESOTZQFRRO-UHFFFAOYSA-N -1 3 365.199 2.644 20 30 FFEDHM Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000442809564 513784428 /nfs/dbraw/zinc/78/44/28/513784428.db2.gz LALMUHNLBKPZLV-CQSZACIVSA-N -1 3 373.434 2.993 20 30 FFEDHM N#Cc1ccc(CN2CCCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC000448621451 513815151 /nfs/dbraw/zinc/81/51/51/513815151.db2.gz JJFIERLXVCMUPJ-UHFFFAOYSA-N -1 3 367.424 2.680 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000443027734 513847022 /nfs/dbraw/zinc/84/70/22/513847022.db2.gz RRQMSPRLEPLJPW-UHFFFAOYSA-N -1 3 357.800 2.660 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCCCC1 ZINC000443105200 513872091 /nfs/dbraw/zinc/87/20/91/513872091.db2.gz FZMOVIAMHPJOJK-UHFFFAOYSA-N -1 3 355.891 2.754 20 30 FFEDHM C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443128571 513881761 /nfs/dbraw/zinc/88/17/61/513881761.db2.gz LVGUPJRBZQVPOI-QWHCGFSZSA-N -1 3 351.428 2.961 20 30 FFEDHM COC(=O)c1cccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1[O-] ZINC000436821156 513996154 /nfs/dbraw/zinc/99/61/54/513996154.db2.gz VHDNHFVIZCPEHE-UHFFFAOYSA-N -1 3 365.267 2.717 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)c([O-])c1 ZINC000436958731 514051603 /nfs/dbraw/zinc/05/16/03/514051603.db2.gz JPYAPBKFRAAXAW-MRXNPFEDSA-N -1 3 371.824 2.855 20 30 FFEDHM COC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)cc1 ZINC000437396867 514154660 /nfs/dbraw/zinc/15/46/60/514154660.db2.gz OCBZUYCUPKVLCI-GOSISDBHSA-N -1 3 371.412 2.851 20 30 FFEDHM COC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)cc1 ZINC000437396868 514154888 /nfs/dbraw/zinc/15/48/88/514154888.db2.gz OCBZUYCUPKVLCI-SFHVURJKSA-N -1 3 371.412 2.851 20 30 FFEDHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CCNCC1(F)F ZINC000423874284 514272939 /nfs/dbraw/zinc/27/29/39/514272939.db2.gz JJQOZDZUSHBZGJ-KWQFWETISA-N -1 3 358.257 2.929 20 30 FFEDHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)nn1 ZINC000420766888 514285353 /nfs/dbraw/zinc/28/53/53/514285353.db2.gz TWMVWPLKMGCBAA-UHFFFAOYSA-N -1 3 367.862 2.598 20 30 FFEDHM CCc1ccccc1[C@H](N)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000423985178 514322875 /nfs/dbraw/zinc/32/28/75/514322875.db2.gz URPYXHRBUCBXRW-LJQANCHMSA-N -1 3 366.465 2.587 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000428378622 514461077 /nfs/dbraw/zinc/46/10/77/514461077.db2.gz APYWPHBJQOVCRR-SKDRFNHKSA-N -1 3 351.790 2.580 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000470835354 514634189 /nfs/dbraw/zinc/63/41/89/514634189.db2.gz YLSHNYQGOSYILI-VIFPVBQESA-N -1 3 361.452 2.899 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000508069236 514655310 /nfs/dbraw/zinc/65/53/10/514655310.db2.gz QBYVHPNTCDTXHJ-ZDUSSCGKSA-N -1 3 351.255 2.732 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000508129954 514679355 /nfs/dbraw/zinc/67/93/55/514679355.db2.gz CXKWYQGRJZPOHA-CYBMUJFWSA-N -1 3 367.254 2.599 20 30 FFEDHM C=CCCN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000466577616 514696785 /nfs/dbraw/zinc/69/67/85/514696785.db2.gz PNDPANGCDXGXBX-UHFFFAOYSA-N -1 3 365.377 2.567 20 30 FFEDHM C=CCCN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000466594252 514702663 /nfs/dbraw/zinc/70/26/63/514702663.db2.gz YXAOBVJQCIHGQN-UHFFFAOYSA-N -1 3 357.451 2.942 20 30 FFEDHM CC[C@H](c1nnc([N-]C(=O)c2cnn(C)c2C#N)s1)c1ccccc1 ZINC000475763649 514799103 /nfs/dbraw/zinc/79/91/03/514799103.db2.gz ZVGWEJPVFOVZRJ-LBPRGKRZSA-N -1 3 352.423 2.937 20 30 FFEDHM C=CCOCCCSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000475975455 514872393 /nfs/dbraw/zinc/87/23/93/514872393.db2.gz LKJYAMLYFZVSQK-UHFFFAOYSA-N -1 3 374.466 2.789 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Cc1cccc(Br)c1 ZINC000475995822 514877425 /nfs/dbraw/zinc/87/74/25/514877425.db2.gz IEHILKDLHGASSE-UHFFFAOYSA-N -1 3 368.256 2.836 20 30 FFEDHM C=CCc1cc(CNC(=O)c2cc(F)cc3nn[n-]c32)cc(OC)c1OC ZINC000503460453 515043518 /nfs/dbraw/zinc/04/35/18/515043518.db2.gz ILFGUTFFBRVRPR-UHFFFAOYSA-N -1 3 370.384 2.773 20 30 FFEDHM C=CCc1cc(CNC(=O)c2cc(F)cc3[n-]nnc32)cc(OC)c1OC ZINC000503460453 515043524 /nfs/dbraw/zinc/04/35/24/515043524.db2.gz ILFGUTFFBRVRPR-UHFFFAOYSA-N -1 3 370.384 2.773 20 30 FFEDHM C=CCc1cc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc(OC)c1OC ZINC000503460453 515043527 /nfs/dbraw/zinc/04/35/27/515043527.db2.gz ILFGUTFFBRVRPR-UHFFFAOYSA-N -1 3 370.384 2.773 20 30 FFEDHM CC[C@@](C)([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nccs1 ZINC000481055709 515189340 /nfs/dbraw/zinc/18/93/40/515189340.db2.gz SPZPMQILWXVTIW-OAHLLOKOSA-N -1 3 353.444 2.899 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCn1ccc2cc(Cl)ccc21 ZINC000509568393 515237585 /nfs/dbraw/zinc/23/75/85/515237585.db2.gz DCWOYEJFPFBDPP-UHFFFAOYSA-N -1 3 360.826 2.540 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000472444849 515271945 /nfs/dbraw/zinc/27/19/45/515271945.db2.gz TUAQAQJQLRUPQF-INIZCTEOSA-N -1 3 363.373 2.762 20 30 FFEDHM C=CCC1(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCC1 ZINC000459045447 515283157 /nfs/dbraw/zinc/28/31/57/515283157.db2.gz DQCAMDBXUIBBLX-UHFFFAOYSA-N -1 3 371.481 2.996 20 30 FFEDHM C=CC(C)(C)CNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000454298910 515377286 /nfs/dbraw/zinc/37/72/86/515377286.db2.gz HBQWXPZDSZVGDN-UHFFFAOYSA-N -1 3 355.460 2.791 20 30 FFEDHM N#Cc1cccnc1N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459315545 515466784 /nfs/dbraw/zinc/46/67/84/515466784.db2.gz XKRCEUWSXGLLNX-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CC[C@@H](C)C1 ZINC000482668102 515761343 /nfs/dbraw/zinc/76/13/43/515761343.db2.gz VEDQDJSQJBIFQY-CJNGLKHVSA-N -1 3 359.470 2.872 20 30 FFEDHM CN(CC#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469624406 515894802 /nfs/dbraw/zinc/89/48/02/515894802.db2.gz ZFAHBELYGUWMOU-UHFFFAOYSA-N -1 3 354.591 2.540 20 30 FFEDHM CN(CC#N)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469624406 515894808 /nfs/dbraw/zinc/89/48/08/515894808.db2.gz ZFAHBELYGUWMOU-UHFFFAOYSA-N -1 3 354.591 2.540 20 30 FFEDHM C=CCC(C)(C)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000455045153 515916019 /nfs/dbraw/zinc/91/60/19/515916019.db2.gz AJXQKQXNUYLSFR-UHFFFAOYSA-N -1 3 369.462 2.990 20 30 FFEDHM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1OCC(N)=O ZINC000474437229 516045850 /nfs/dbraw/zinc/04/58/50/516045850.db2.gz YLYUAFXASWFSFJ-GFCCVEGCSA-N -1 3 373.434 2.629 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000501482764 516118575 /nfs/dbraw/zinc/11/85/75/516118575.db2.gz UMNSJJNFPFLNJG-GHMZBOCLSA-N -1 3 350.774 2.650 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2nc[nH]n2)ccc1F ZINC000470266717 516189394 /nfs/dbraw/zinc/18/93/94/516189394.db2.gz LMFBFIBOGFKATB-UHFFFAOYSA-N -1 3 357.370 2.592 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000461028038 516306541 /nfs/dbraw/zinc/30/65/41/516306541.db2.gz XMYVILNFTWNZSB-CYBMUJFWSA-N -1 3 373.434 2.644 20 30 FFEDHM COCc1nc(Sc2c(C#N)cnc3c(F)c(F)c(F)cc32)n[n-]1 ZINC000557626758 516344049 /nfs/dbraw/zinc/34/40/49/516344049.db2.gz UOTCFRYFAKCYCC-UHFFFAOYSA-N -1 3 351.313 2.939 20 30 FFEDHM COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000543725724 516394209 /nfs/dbraw/zinc/39/42/09/516394209.db2.gz CIVPCDWRPZRZBH-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000531381228 516441189 /nfs/dbraw/zinc/44/11/89/516441189.db2.gz YIYRKKZPXPMACC-ZDUSSCGKSA-N -1 3 366.389 2.972 20 30 FFEDHM N#Cc1ccncc1N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000561428503 516576065 /nfs/dbraw/zinc/57/60/65/516576065.db2.gz ARPMLDCQGJCRLS-UHFFFAOYSA-N -1 3 362.433 2.500 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000551231016 516617835 /nfs/dbraw/zinc/61/78/35/516617835.db2.gz IRBHOGJOGARPNQ-UHFFFAOYSA-N -1 3 355.419 2.811 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c(Cl)c1 ZINC000561558298 516651749 /nfs/dbraw/zinc/65/17/49/516651749.db2.gz NDFKQXOWRUSSLI-UHFFFAOYSA-N -1 3 358.847 2.735 20 30 FFEDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000544405706 516744885 /nfs/dbraw/zinc/74/48/85/516744885.db2.gz CJGHDRQKUOLUKZ-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)c(F)c1 ZINC000555418287 516919776 /nfs/dbraw/zinc/91/97/76/516919776.db2.gz KIXQZKGLFJUNNS-UHFFFAOYSA-N -1 3 374.315 2.916 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000532366468 516937260 /nfs/dbraw/zinc/93/72/60/516937260.db2.gz LIBGGSQVYZDDJA-AWEZNQCLSA-N -1 3 370.446 2.732 20 30 FFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000551952504 516984596 /nfs/dbraw/zinc/98/45/96/516984596.db2.gz JWZSRKZVAPNQQY-ZDUSSCGKSA-N -1 3 350.868 2.934 20 30 FFEDHM C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000562276267 517001477 /nfs/dbraw/zinc/00/14/77/517001477.db2.gz WQOPQRIDUADALT-FOIQADDNSA-N -1 3 370.453 2.790 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N=c1[nH][n-]cc1Br ZINC000552069831 517061818 /nfs/dbraw/zinc/06/18/18/517061818.db2.gz LQDRFSWAVFDRSK-CYBMUJFWSA-N -1 3 363.215 2.508 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000562453011 517118466 /nfs/dbraw/zinc/11/84/66/517118466.db2.gz VXJHJHSFDZQMJI-CYBMUJFWSA-N -1 3 353.875 2.507 20 30 FFEDHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(C)C ZINC000548695012 517150290 /nfs/dbraw/zinc/15/02/90/517150290.db2.gz IVRGEBONNTZLPA-KRWDZBQOSA-N -1 3 365.474 2.674 20 30 FFEDHM Cc1ncc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000533175612 517324121 /nfs/dbraw/zinc/32/41/21/517324121.db2.gz IXEYLVFVGZVRBP-UHFFFAOYSA-N -1 3 360.382 2.800 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CCC(C)C)no2)ccc1F ZINC000545708692 517339372 /nfs/dbraw/zinc/33/93/72/517339372.db2.gz QMQXWJVONNRJCJ-UHFFFAOYSA-N -1 3 353.419 2.929 20 30 FFEDHM CC[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)OCCc2ccccc21 ZINC000520460566 517400728 /nfs/dbraw/zinc/40/07/28/517400728.db2.gz DTQNYMIKGJIZDE-IBGZPJMESA-N -1 3 374.437 2.854 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)CCCC1 ZINC000546068405 517525464 /nfs/dbraw/zinc/52/54/64/517525464.db2.gz HPEDYWZMOTYJHG-UHFFFAOYSA-N -1 3 353.391 2.665 20 30 FFEDHM Cc1ccc(C(C)(C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1 ZINC000546067778 517525818 /nfs/dbraw/zinc/52/58/18/517525818.db2.gz KLGYHBBHXYEDFY-UHFFFAOYSA-N -1 3 352.438 2.963 20 30 FFEDHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCC1 ZINC000538282000 517540163 /nfs/dbraw/zinc/54/01/63/517540163.db2.gz BJTSXFQCNXNXFB-GFCCVEGCSA-N -1 3 356.875 2.679 20 30 FFEDHM N#CC(=C([O-])c1ccc(I)c(F)c1)c1ccncn1 ZINC000546152511 517570728 /nfs/dbraw/zinc/57/07/28/517570728.db2.gz FDGMHDFHQNSKTH-VIFPVBQESA-N -1 3 367.121 2.710 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCC(CC#N)CC2)c1 ZINC000542680309 517685189 /nfs/dbraw/zinc/68/51/89/517685189.db2.gz GFFBNBOVSZGAOM-UHFFFAOYSA-N -1 3 368.393 2.707 20 30 FFEDHM C=CCN(Cc1nc(C)ccc1[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732785 517752833 /nfs/dbraw/zinc/75/28/33/517752833.db2.gz SBEBNMCXFVVERE-HNNXBMFYSA-N -1 3 350.426 2.821 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSC[C@H]1C1CCC1 ZINC000563515189 517951234 /nfs/dbraw/zinc/95/12/34/517951234.db2.gz NASPIVJVODUYLX-KRWDZBQOSA-N -1 3 359.495 2.952 20 30 FFEDHM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc2)CC1 ZINC000553935391 517978428 /nfs/dbraw/zinc/97/84/28/517978428.db2.gz AKAQSQFFZTVXCU-UHFFFAOYSA-N -1 3 374.393 2.703 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCC2)c(F)c1 ZINC000517273065 518101410 /nfs/dbraw/zinc/10/14/10/518101410.db2.gz PFKSTOJSJMTULB-SFHVURJKSA-N -1 3 374.437 2.880 20 30 FFEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000535144001 518157805 /nfs/dbraw/zinc/15/78/05/518157805.db2.gz URJCVMGNOXTJEH-NHYWBVRUSA-N -1 3 370.446 2.732 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOCC12CCCCC2 ZINC000569682443 518235932 /nfs/dbraw/zinc/23/59/32/518235932.db2.gz PEXAQDASYJPIQW-UHFFFAOYSA-N -1 3 357.454 2.770 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)cn1 ZINC000579177943 518554522 /nfs/dbraw/zinc/55/45/22/518554522.db2.gz YENDKYHGGDISDL-ZDUSSCGKSA-N -1 3 369.368 2.653 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c1 ZINC000585739837 518581201 /nfs/dbraw/zinc/58/12/01/518581201.db2.gz QAGLEHLEMIJGRE-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CN2CCCCC2)c2ccccc2)o1 ZINC000588131812 518733096 /nfs/dbraw/zinc/73/30/96/518733096.db2.gz BFHYKEHFIBNTPY-KRWDZBQOSA-N -1 3 359.451 2.657 20 30 FFEDHM CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000565052831 518763063 /nfs/dbraw/zinc/76/30/63/518763063.db2.gz COVIZOSQKZMSHX-UHFFFAOYSA-N -1 3 368.455 2.691 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000571393895 519075007 /nfs/dbraw/zinc/07/50/07/519075007.db2.gz HSCCEROXOVVWHO-MNOVXSKESA-N -1 3 355.765 2.981 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N[C@H](CC)CC#N)nc(=O)c2c1C ZINC000577646582 519185274 /nfs/dbraw/zinc/18/52/74/519185274.db2.gz PEWQNPFWTCCHEN-WDEREUQCSA-N -1 3 362.455 2.813 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000578036846 519384746 /nfs/dbraw/zinc/38/47/46/519384746.db2.gz GYRKUPOOKYTLJG-UHFFFAOYSA-N -1 3 365.199 2.644 20 30 FFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cn(-c4cccnc4)nn3)sc2C1 ZINC000580938076 519435797 /nfs/dbraw/zinc/43/57/97/519435797.db2.gz PIYDVDXJQHBEMQ-NSHDSACASA-N -1 3 364.434 2.973 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C3CCC3)cc2)nc(C)n1 ZINC000566552252 519547808 /nfs/dbraw/zinc/54/78/08/519547808.db2.gz LFOOOXDCAQDEKJ-KRWDZBQOSA-N -1 3 369.446 2.910 20 30 FFEDHM C=CC[C@@H]1CCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OCC)C1 ZINC000600003716 519996815 /nfs/dbraw/zinc/99/68/15/519996815.db2.gz FCJBIPQAQSGVGD-GFCCVEGCSA-N -1 3 350.440 2.596 20 30 FFEDHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000594488819 519998756 /nfs/dbraw/zinc/99/87/56/519998756.db2.gz KSYVYOWXLACHCN-CQSZACIVSA-N -1 3 372.874 2.856 20 30 FFEDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000594488814 519998838 /nfs/dbraw/zinc/99/88/38/519998838.db2.gz KSYVYOWXLACHCN-AWEZNQCLSA-N -1 3 372.874 2.856 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c(F)c1 ZINC000616424292 520010162 /nfs/dbraw/zinc/01/01/62/520010162.db2.gz GKKDSWUGTGLCHH-OAHLLOKOSA-N -1 3 366.801 2.904 20 30 FFEDHM C=CCCOCC(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000600089606 520039681 /nfs/dbraw/zinc/03/96/81/520039681.db2.gz BBUIMAQXFKREOI-UHFFFAOYSA-N -1 3 362.398 2.648 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2cnc3nccnc3c2)c(C#N)c1C ZINC000612653930 520073325 /nfs/dbraw/zinc/07/33/25/520073325.db2.gz ZAWWJHACLQWRCS-UHFFFAOYSA-N -1 3 367.390 2.695 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594725587 520115088 /nfs/dbraw/zinc/11/50/88/520115088.db2.gz HGSLQFPGRRKIFD-MRXNPFEDSA-N -1 3 363.464 2.678 20 30 FFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594725586 520116093 /nfs/dbraw/zinc/11/60/93/520116093.db2.gz HGSLQFPGRRKIFD-INIZCTEOSA-N -1 3 363.464 2.678 20 30 FFEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CC#N ZINC000594752237 520133549 /nfs/dbraw/zinc/13/35/49/520133549.db2.gz NFURKASAGXPXFP-JTQLQIEISA-N -1 3 361.261 2.818 20 30 FFEDHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594766290 520143285 /nfs/dbraw/zinc/14/32/85/520143285.db2.gz HIILURVWBMXIDB-OOPCZODUSA-N -1 3 350.465 2.687 20 30 FFEDHM Cc1cccc2cc(S(=O)(=O)[N-]CC3CCN(CC#N)CC3)sc21 ZINC000592038200 520146919 /nfs/dbraw/zinc/14/69/19/520146919.db2.gz NYEYMNAZFGALFL-UHFFFAOYSA-N -1 3 363.508 2.724 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594774869 520148729 /nfs/dbraw/zinc/14/87/29/520148729.db2.gz IIBZTARSTKTGHY-CQSZACIVSA-N -1 3 350.465 2.785 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CSc3ccccc3O2)s1 ZINC000592067849 520165204 /nfs/dbraw/zinc/16/52/04/520165204.db2.gz VYOLYGGRBCFJIR-NSHDSACASA-N -1 3 366.489 2.841 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000594850575 520187790 /nfs/dbraw/zinc/18/77/90/520187790.db2.gz RKZCLZIDLOGVTR-UHFFFAOYSA-N -1 3 369.464 2.559 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)c(F)c1 ZINC000594851565 520188896 /nfs/dbraw/zinc/18/88/96/520188896.db2.gz CEDNPMCGFDQLIH-HOTGVXAUSA-N -1 3 360.410 2.548 20 30 FFEDHM Cc1nc(SCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(C#N)c(C)c1C ZINC000597841657 520272792 /nfs/dbraw/zinc/27/27/92/520272792.db2.gz IWWYKDSCKNYIIN-OAHLLOKOSA-N -1 3 371.466 2.606 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@H](C#N)C1CCCCC1)c1ccc(F)cc1 ZINC000600667423 520385029 /nfs/dbraw/zinc/38/50/29/520385029.db2.gz CSUIMOULDFCUTP-IAGOWNOFSA-N -1 3 354.447 2.905 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000604170513 520468986 /nfs/dbraw/zinc/46/89/86/520468986.db2.gz AGVDDIUHJWAVDL-HNNXBMFYSA-N -1 3 351.366 2.978 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000604170513 520468991 /nfs/dbraw/zinc/46/89/91/520468991.db2.gz AGVDDIUHJWAVDL-HNNXBMFYSA-N -1 3 351.366 2.978 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000604170513 520468995 /nfs/dbraw/zinc/46/89/95/520468995.db2.gz AGVDDIUHJWAVDL-HNNXBMFYSA-N -1 3 351.366 2.978 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(OC2CCCCC2)nc1 ZINC000617469016 520515302 /nfs/dbraw/zinc/51/53/02/520515302.db2.gz PFNCSXWFXIGVII-UHFFFAOYSA-N -1 3 372.450 2.538 20 30 FFEDHM Cc1nc([N-]C(=O)COc2cc(C)cc(C)c2)n(-c2ccc(C#N)cc2)n1 ZINC000610112372 520545676 /nfs/dbraw/zinc/54/56/76/520545676.db2.gz GZUUCQVXJXXQBF-UHFFFAOYSA-N -1 3 361.405 2.504 20 30 FFEDHM CC[C@@H](OC1CCCC1)C(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000610233026 520592614 /nfs/dbraw/zinc/59/26/14/520592614.db2.gz SCCAWMACANCVMW-QGZVFWFLSA-N -1 3 353.426 2.546 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c1 ZINC000613926598 520730936 /nfs/dbraw/zinc/73/09/36/520730936.db2.gz FCPRLCNRXZCQJJ-AWEZNQCLSA-N -1 3 372.780 2.502 20 30 FFEDHM Cc1nc(CN2CCC(CNC(=O)c3cc([O-])cc(C#N)c3)CC2)oc1C ZINC000614298070 520896291 /nfs/dbraw/zinc/89/62/91/520896291.db2.gz BEDVVCWVGNLNHY-UHFFFAOYSA-N -1 3 368.437 2.511 20 30 FFEDHM CCc1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)CCN(C(C)=O)C3)o1 ZINC000598890944 520905379 /nfs/dbraw/zinc/90/53/79/520905379.db2.gz LPOCAGODEUXJJX-UHFFFAOYSA-N -1 3 358.423 2.636 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2cc(F)c(F)cc21 ZINC000593373178 520945982 /nfs/dbraw/zinc/94/59/82/520945982.db2.gz DFHAUJPBBDSEAI-UHFFFAOYSA-N -1 3 373.359 2.912 20 30 FFEDHM COC(=O)CC1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCCC1 ZINC000611024598 520952126 /nfs/dbraw/zinc/95/21/26/520952126.db2.gz WEDWJPBDITUNBL-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@H]2CCCO[C@H]21 ZINC000611025017 520952647 /nfs/dbraw/zinc/95/26/47/520952647.db2.gz YTSJMOWMHLOEJK-VCTAVGKDSA-N -1 3 354.859 2.694 20 30 FFEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)c1 ZINC000611113629 520991473 /nfs/dbraw/zinc/99/14/73/520991473.db2.gz BTBFWDSOCICFPQ-SNVBAGLBSA-N -1 3 361.261 2.674 20 30 FFEDHM C[C@@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593536870 521058855 /nfs/dbraw/zinc/05/88/55/521058855.db2.gz VMQUHLMOWNIWAF-NSHDSACASA-N -1 3 364.448 2.648 20 30 FFEDHM CCCCNC(=O)C1([N-]S(=O)(=O)c2ccsc2C#N)CCCCC1 ZINC000593540338 521063211 /nfs/dbraw/zinc/06/32/11/521063211.db2.gz SFSWOOCKUDLLQK-UHFFFAOYSA-N -1 3 369.512 2.517 20 30 FFEDHM CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1ccccn1 ZINC000593542799 521064617 /nfs/dbraw/zinc/06/46/17/521064617.db2.gz JJUZZUCYJFBEPE-INIZCTEOSA-N -1 3 373.434 2.560 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)Oc1cccc(F)c1 ZINC000593556856 521073747 /nfs/dbraw/zinc/07/37/47/521073747.db2.gz ADHYOLJLAKDACL-GFCCVEGCSA-N -1 3 354.428 2.895 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000611292254 521085024 /nfs/dbraw/zinc/08/50/24/521085024.db2.gz NAQYWMNSQYAWTM-UHFFFAOYSA-N -1 3 355.435 2.925 20 30 FFEDHM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593573607 521085410 /nfs/dbraw/zinc/08/54/10/521085410.db2.gz YMTHIDVWIZBWIP-ZBEGNZNMSA-N -1 3 366.464 2.683 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCCC1 ZINC000593619681 521110949 /nfs/dbraw/zinc/11/09/49/521110949.db2.gz FFRGKZUXJNJAOP-UHFFFAOYSA-N -1 3 361.236 2.950 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000599378068 521185171 /nfs/dbraw/zinc/18/51/71/521185171.db2.gz VOBSCXUSXNEHPB-NILFDRSVSA-N -1 3 350.852 2.890 20 30 FFEDHM N#Cc1ccccc1NC1CCN(C(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000602182471 521194939 /nfs/dbraw/zinc/19/49/39/521194939.db2.gz FGVDICMDIPRZOB-UHFFFAOYSA-N -1 3 364.384 2.685 20 30 FFEDHM N#Cc1ccccc1NC1CCN(C(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000602182471 521194945 /nfs/dbraw/zinc/19/49/45/521194945.db2.gz FGVDICMDIPRZOB-UHFFFAOYSA-N -1 3 364.384 2.685 20 30 FFEDHM N#Cc1ccccc1NC1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000602182471 521194952 /nfs/dbraw/zinc/19/49/52/521194952.db2.gz FGVDICMDIPRZOB-UHFFFAOYSA-N -1 3 364.384 2.685 20 30 FFEDHM N#Cc1ccc(SCC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000602194702 521202336 /nfs/dbraw/zinc/20/23/36/521202336.db2.gz MBDFVAQUCHKVHQ-UHFFFAOYSA-N -1 3 354.435 2.730 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC000619548082 521764879 /nfs/dbraw/zinc/76/48/79/521764879.db2.gz JKEINRNBRGBNBE-CYBMUJFWSA-N -1 3 356.856 2.939 20 30 FFEDHM C=CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])[C@H]2CCCO2)cc1OC ZINC000630466391 522865261 /nfs/dbraw/zinc/86/52/61/522865261.db2.gz ZRBKZXBFKXPKOS-HIFRSBDPSA-N -1 3 355.818 2.635 20 30 FFEDHM C[C@@]1(c2ccc(CNc3cc(C#N)c4ccccc4n3)cc2)NC(=O)[N-]C1=O ZINC000522935887 562206408 /nfs/dbraw/zinc/20/64/08/562206408.db2.gz RPEJOEKGPSHXEY-NRFANRHFSA-N -1 3 371.400 2.773 20 30 FFEDHM Oc1ccc(Br)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823727180 607252421 /nfs/dbraw/zinc/25/24/21/607252421.db2.gz RTPMIESSCOLSDU-UHFFFAOYSA-N -1 3 359.187 2.781 20 30 FFEDHM COCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737015781 598920817 /nfs/dbraw/zinc/92/08/17/598920817.db2.gz DZSHWOGBSLAKHF-UHFFFAOYSA-N -1 3 374.360 2.883 20 30 FFEDHM COCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737015781 598920819 /nfs/dbraw/zinc/92/08/19/598920819.db2.gz DZSHWOGBSLAKHF-UHFFFAOYSA-N -1 3 374.360 2.883 20 30 FFEDHM COc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737046427 598922385 /nfs/dbraw/zinc/92/23/85/598922385.db2.gz CRAPYUCMJFIMPK-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737046427 598922387 /nfs/dbraw/zinc/92/23/87/598922387.db2.gz CRAPYUCMJFIMPK-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735580345 598929093 /nfs/dbraw/zinc/92/90/93/598929093.db2.gz BXOKHXMPWYNSDQ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735580345 598929094 /nfs/dbraw/zinc/92/90/94/598929094.db2.gz BXOKHXMPWYNSDQ-UHFFFAOYSA-N -1 3 350.357 2.794 20 30 FFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000819773174 607253762 /nfs/dbraw/zinc/25/37/62/607253762.db2.gz QRDNZNWSKFHOHZ-UHFFFAOYSA-N -1 3 371.788 2.942 20 30 FFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000819773174 607253763 /nfs/dbraw/zinc/25/37/63/607253763.db2.gz QRDNZNWSKFHOHZ-UHFFFAOYSA-N -1 3 371.788 2.942 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1cccnc1 ZINC000735420375 599025879 /nfs/dbraw/zinc/02/58/79/599025879.db2.gz PDWVHIZNEJAVSJ-HNNXBMFYSA-N -1 3 362.437 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1cccnc1 ZINC000735420375 599025880 /nfs/dbraw/zinc/02/58/80/599025880.db2.gz PDWVHIZNEJAVSJ-HNNXBMFYSA-N -1 3 362.437 2.970 20 30 FFEDHM Cc1c(C#N)cccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822016381 607257181 /nfs/dbraw/zinc/25/71/81/607257181.db2.gz ZIQDGMYTORTSHV-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1c(C#N)cccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822016381 607257182 /nfs/dbraw/zinc/25/71/82/607257182.db2.gz ZIQDGMYTORTSHV-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM COc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)cc1-c1nnn[n-]1 ZINC000737081789 599128407 /nfs/dbraw/zinc/12/84/07/599128407.db2.gz BUNRZYSDLVFEEO-UHFFFAOYSA-N -1 3 353.342 2.538 20 30 FFEDHM COc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)cc1-c1nn[n-]n1 ZINC000737081789 599128410 /nfs/dbraw/zinc/12/84/10/599128410.db2.gz BUNRZYSDLVFEEO-UHFFFAOYSA-N -1 3 353.342 2.538 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000737065099 599152749 /nfs/dbraw/zinc/15/27/49/599152749.db2.gz HKVXCWQPDUBWFP-CLTKARDFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000737065099 599152751 /nfs/dbraw/zinc/15/27/51/599152751.db2.gz HKVXCWQPDUBWFP-CLTKARDFSA-N -1 3 354.341 2.919 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736189129 599165731 /nfs/dbraw/zinc/16/57/31/599165731.db2.gz ASGDPMYBIWYHPH-QLJPJBMISA-N -1 3 362.434 2.541 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736189129 599165734 /nfs/dbraw/zinc/16/57/34/599165734.db2.gz ASGDPMYBIWYHPH-QLJPJBMISA-N -1 3 362.434 2.541 20 30 FFEDHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736057020 599195427 /nfs/dbraw/zinc/19/54/27/599195427.db2.gz FWWOZAVTDSXEAM-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736057020 599195430 /nfs/dbraw/zinc/19/54/30/599195430.db2.gz FWWOZAVTDSXEAM-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(-c3ccncc3)s2)ccc1-c1nnn[n-]1 ZINC000737707567 599196263 /nfs/dbraw/zinc/19/62/63/599196263.db2.gz AAUWUBZEDGGKTG-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnc(-c3ccncc3)s2)ccc1-c1nn[n-]n1 ZINC000737707567 599196265 /nfs/dbraw/zinc/19/62/65/599196265.db2.gz AAUWUBZEDGGKTG-UHFFFAOYSA-N -1 3 374.389 2.509 20 30 FFEDHM N#Cc1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1-c1nnn[n-]1 ZINC000737715879 599196361 /nfs/dbraw/zinc/19/63/61/599196361.db2.gz GPNGIIFMVSJAFZ-ZDUSSCGKSA-N -1 3 358.405 2.872 20 30 FFEDHM N#Cc1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000737715879 599196364 /nfs/dbraw/zinc/19/63/64/599196364.db2.gz GPNGIIFMVSJAFZ-ZDUSSCGKSA-N -1 3 358.405 2.872 20 30 FFEDHM CCC(CC)n1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1 ZINC000820898343 607315872 /nfs/dbraw/zinc/31/58/72/607315872.db2.gz ZPVUCHZEIAFABZ-UHFFFAOYSA-N -1 3 350.386 2.548 20 30 FFEDHM CCC(CC)n1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1 ZINC000820898343 607315873 /nfs/dbraw/zinc/31/58/73/607315873.db2.gz ZPVUCHZEIAFABZ-UHFFFAOYSA-N -1 3 350.386 2.548 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819709520 599280038 /nfs/dbraw/zinc/28/00/38/599280038.db2.gz HXKIXBRXSIDVOI-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819709520 599280041 /nfs/dbraw/zinc/28/00/41/599280041.db2.gz HXKIXBRXSIDVOI-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820539685 598179700 /nfs/dbraw/zinc/17/97/00/598179700.db2.gz WALADEODAIXBOS-UHFFFAOYSA-N -1 3 366.421 2.852 20 30 FFEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000737673716 598383602 /nfs/dbraw/zinc/38/36/02/598383602.db2.gz CNCOCVLNZLUMAG-BSDKJSHOSA-N -1 3 364.796 2.914 20 30 FFEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000737673716 598383604 /nfs/dbraw/zinc/38/36/04/598383604.db2.gz CNCOCVLNZLUMAG-BSDKJSHOSA-N -1 3 364.796 2.914 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737080556 598392581 /nfs/dbraw/zinc/39/25/81/598392581.db2.gz CQYPCQHLUSTINY-ALCCZGGFSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737080556 598392583 /nfs/dbraw/zinc/39/25/83/598392583.db2.gz CQYPCQHLUSTINY-ALCCZGGFSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1OC ZINC000737082926 598418382 /nfs/dbraw/zinc/41/83/82/598418382.db2.gz MPSFGNTUCNSYCE-UHFFFAOYSA-N -1 3 358.789 2.983 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000736186441 598489486 /nfs/dbraw/zinc/48/94/86/598489486.db2.gz BXAVOFGURBKFQN-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000736186441 598489487 /nfs/dbraw/zinc/48/94/87/598489487.db2.gz BXAVOFGURBKFQN-STQMWFEESA-N -1 3 363.377 2.810 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1Cl ZINC000737673738 598536959 /nfs/dbraw/zinc/53/69/59/598536959.db2.gz DFAJXCYTDFTCSM-LBPRGKRZSA-N -1 3 374.191 2.563 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1Cl ZINC000737673738 598536961 /nfs/dbraw/zinc/53/69/61/598536961.db2.gz DFAJXCYTDFTCSM-LBPRGKRZSA-N -1 3 374.191 2.563 20 30 FFEDHM N#Cc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737727790 598544273 /nfs/dbraw/zinc/54/42/73/598544273.db2.gz AQELIEVLDMCGBG-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM N#Cc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737727790 598544274 /nfs/dbraw/zinc/54/42/74/598544274.db2.gz AQELIEVLDMCGBG-UHFFFAOYSA-N -1 3 362.321 2.654 20 30 FFEDHM N#Cc1cc(F)ccc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737703572 598713853 /nfs/dbraw/zinc/71/38/53/598713853.db2.gz CXUWZXNYGFMKAV-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1cc(F)ccc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737703572 598713855 /nfs/dbraw/zinc/71/38/55/598713855.db2.gz CXUWZXNYGFMKAV-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737722449 598715634 /nfs/dbraw/zinc/71/56/34/598715634.db2.gz JLQBZMIMAJXBGO-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737722449 598715636 /nfs/dbraw/zinc/71/56/36/598715636.db2.gz JLQBZMIMAJXBGO-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c(C)noc1C ZINC000735418120 598725153 /nfs/dbraw/zinc/72/51/53/598725153.db2.gz BCXORHMMHOHRJW-UHFFFAOYSA-N -1 3 353.386 2.692 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c(C)noc1C ZINC000735418120 598725155 /nfs/dbraw/zinc/72/51/55/598725155.db2.gz BCXORHMMHOHRJW-UHFFFAOYSA-N -1 3 353.386 2.692 20 30 FFEDHM COc1ccc(CCNN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000821790241 599339947 /nfs/dbraw/zinc/33/99/47/599339947.db2.gz KRAWFBZUCFXVAE-UHFFFAOYSA-N -1 3 362.437 2.748 20 30 FFEDHM COc1ccc(CCNN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000821790241 599339949 /nfs/dbraw/zinc/33/99/49/599339949.db2.gz KRAWFBZUCFXVAE-UHFFFAOYSA-N -1 3 362.437 2.748 20 30 FFEDHM N#CCCN(C(=O)CSc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000822807074 599345599 /nfs/dbraw/zinc/34/55/99/599345599.db2.gz YAWDEMFLOSBYFA-UHFFFAOYSA-N -1 3 364.434 2.906 20 30 FFEDHM N#CCCN(C(=O)CSc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000822807074 599345601 /nfs/dbraw/zinc/34/56/01/599345601.db2.gz YAWDEMFLOSBYFA-UHFFFAOYSA-N -1 3 364.434 2.906 20 30 FFEDHM Fc1cccc(C=NOCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822786968 599383206 /nfs/dbraw/zinc/38/32/06/599383206.db2.gz RABMSKRTHHNARZ-UHFFFAOYSA-N -1 3 365.328 2.607 20 30 FFEDHM Fc1cccc(C=NOCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822786968 599383207 /nfs/dbraw/zinc/38/32/07/599383207.db2.gz RABMSKRTHHNARZ-UHFFFAOYSA-N -1 3 365.328 2.607 20 30 FFEDHM N#Cc1cc(F)ccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822822670 599527174 /nfs/dbraw/zinc/52/71/74/599527174.db2.gz ASSCZIDJCDJIEY-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826316190 607432263 /nfs/dbraw/zinc/43/22/63/607432263.db2.gz GUKKKORJAXPLAI-ZIAGYGMSSA-N -1 3 350.407 2.851 20 30 FFEDHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826316190 607432264 /nfs/dbraw/zinc/43/22/64/607432264.db2.gz GUKKKORJAXPLAI-ZIAGYGMSSA-N -1 3 350.407 2.851 20 30 FFEDHM N#Cc1ccc([C@H](NCc2ccc(Cn3ccccc3=O)cc2)C(=O)[O-])cc1 ZINC000739104921 600596258 /nfs/dbraw/zinc/59/62/58/600596258.db2.gz DVNOLAMVHIYESN-NRFANRHFSA-N -1 3 373.412 2.684 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000819722538 607461439 /nfs/dbraw/zinc/46/14/39/607461439.db2.gz MDBARKFZZSFDJC-WUXMJOGZSA-N -1 3 361.427 2.783 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000819722538 607461440 /nfs/dbraw/zinc/46/14/40/607461440.db2.gz MDBARKFZZSFDJC-WUXMJOGZSA-N -1 3 361.427 2.783 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000830109890 601236299 /nfs/dbraw/zinc/23/62/99/601236299.db2.gz QPJWCBWOMQGDCI-BFHYXJOUSA-N -1 3 358.394 2.624 20 30 FFEDHM C=CCn1c(SCc2ccc(OC)c(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC000823937322 607537100 /nfs/dbraw/zinc/53/71/00/607537100.db2.gz RRQPMSAILKJVER-UHFFFAOYSA-N -1 3 369.454 2.823 20 30 FFEDHM C=CCn1c(SCc2ccc(OC)c(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC000823937322 607537102 /nfs/dbraw/zinc/53/71/02/607537102.db2.gz RRQPMSAILKJVER-UHFFFAOYSA-N -1 3 369.454 2.823 20 30 FFEDHM COCCN(CC(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000739813298 603170399 /nfs/dbraw/zinc/17/03/99/603170399.db2.gz NGSOGDAHCFXPML-SNVBAGLBSA-N -1 3 367.814 2.752 20 30 FFEDHM CCN(CC1CCN(CCC(=O)Nc2sccc2C#N)CC1)C(=O)[O-] ZINC000827093082 603506742 /nfs/dbraw/zinc/50/67/42/603506742.db2.gz LQWMFSHGAHQJFV-UHFFFAOYSA-N -1 3 364.471 2.660 20 30 FFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830604734 604284887 /nfs/dbraw/zinc/28/48/87/604284887.db2.gz ULPRIYCQZZYRQK-UHFFFAOYSA-N -1 3 369.396 2.600 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000826245922 607687888 /nfs/dbraw/zinc/68/78/88/607687888.db2.gz MJESGSJSYBTIBN-FQEVSTJZSA-N -1 3 360.421 2.820 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000826245922 607687889 /nfs/dbraw/zinc/68/78/89/607687889.db2.gz MJESGSJSYBTIBN-FQEVSTJZSA-N -1 3 360.421 2.820 20 30 FFEDHM C=C(C)CN(CC)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823878031 607765886 /nfs/dbraw/zinc/76/58/86/607765886.db2.gz MPKLJKKYZOAEJR-UHFFFAOYSA-N -1 3 373.417 2.865 20 30 FFEDHM C=C(C)CN(CC)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823878031 607765887 /nfs/dbraw/zinc/76/58/87/607765887.db2.gz MPKLJKKYZOAEJR-UHFFFAOYSA-N -1 3 373.417 2.865 20 30 FFEDHM CC1CC(C#N)(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824867659 607771096 /nfs/dbraw/zinc/77/10/96/607771096.db2.gz QBEIIIZLQPISTM-UHFFFAOYSA-N -1 3 365.422 2.869 20 30 FFEDHM CC1CC(C#N)(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824867659 607771097 /nfs/dbraw/zinc/77/10/97/607771097.db2.gz QBEIIIZLQPISTM-UHFFFAOYSA-N -1 3 365.422 2.869 20 30 FFEDHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000821777902 606127837 /nfs/dbraw/zinc/12/78/37/606127837.db2.gz ODHIGTDWRZZIKZ-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000821777902 606127838 /nfs/dbraw/zinc/12/78/38/606127838.db2.gz ODHIGTDWRZZIKZ-LBPRGKRZSA-N -1 3 362.393 2.879 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)CC1CC1 ZINC000820151210 606151027 /nfs/dbraw/zinc/15/10/27/606151027.db2.gz CVLTWUQLCMDPFG-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)CC1CC1 ZINC000820151210 606151030 /nfs/dbraw/zinc/15/10/30/606151030.db2.gz CVLTWUQLCMDPFG-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM N#C[C@@H](COC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000822802143 606183683 /nfs/dbraw/zinc/18/36/83/606183683.db2.gz WHROYTBLKYWBTK-KRWDZBQOSA-N -1 3 361.405 2.725 20 30 FFEDHM N#C[C@@H](COC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000822802143 606183684 /nfs/dbraw/zinc/18/36/84/606183684.db2.gz WHROYTBLKYWBTK-KRWDZBQOSA-N -1 3 361.405 2.725 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000819855587 606249443 /nfs/dbraw/zinc/24/94/43/606249443.db2.gz FJOKKBODYIUBEX-NSHDSACASA-N -1 3 367.438 2.709 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000819855587 606249444 /nfs/dbraw/zinc/24/94/44/606249444.db2.gz FJOKKBODYIUBEX-NSHDSACASA-N -1 3 367.438 2.709 20 30 FFEDHM C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498201 606343054 /nfs/dbraw/zinc/34/30/54/606343054.db2.gz ZMQYGNXWRDBZAX-ZDUSSCGKSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@H](OC(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498201 606343056 /nfs/dbraw/zinc/34/30/56/606343056.db2.gz ZMQYGNXWRDBZAX-ZDUSSCGKSA-N -1 3 363.377 2.616 20 30 FFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnc2ccccc12 ZINC000822020843 606372839 /nfs/dbraw/zinc/37/28/39/606372839.db2.gz KWSZVGXOGLBCGU-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnc2ccccc12 ZINC000822020843 606372840 /nfs/dbraw/zinc/37/28/40/606372840.db2.gz KWSZVGXOGLBCGU-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM N#Cc1ccc(NCCNc2ncccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000822829662 606461290 /nfs/dbraw/zinc/46/12/90/606461290.db2.gz CMHRQWSPPTZWCQ-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM N#Cc1ccc(NCCNc2ncccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000822829662 606461291 /nfs/dbraw/zinc/46/12/91/606461291.db2.gz CMHRQWSPPTZWCQ-UHFFFAOYSA-N -1 3 374.330 2.676 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743672 606528902 /nfs/dbraw/zinc/52/89/02/606528902.db2.gz NRNVOURWLQXBMX-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819743672 606528903 /nfs/dbraw/zinc/52/89/03/606528903.db2.gz NRNVOURWLQXBMX-UHFFFAOYSA-N -1 3 363.421 2.633 20 30 FFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820219427 606658126 /nfs/dbraw/zinc/65/81/26/606658126.db2.gz GMWOTWJRYGZLEO-MRVPVSSYSA-N -1 3 353.308 2.651 20 30 FFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820219427 606658127 /nfs/dbraw/zinc/65/81/27/606658127.db2.gz GMWOTWJRYGZLEO-MRVPVSSYSA-N -1 3 353.308 2.651 20 30 FFEDHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000820384479 606684279 /nfs/dbraw/zinc/68/42/79/606684279.db2.gz GIBMFNXZBXPEGO-SECBINFHSA-N -1 3 354.320 2.508 20 30 FFEDHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000820384479 606684280 /nfs/dbraw/zinc/68/42/80/606684280.db2.gz GIBMFNXZBXPEGO-SECBINFHSA-N -1 3 354.320 2.508 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](OCC)C(C)C ZINC000819742942 606714699 /nfs/dbraw/zinc/71/46/99/606714699.db2.gz CFCPZTMAYLMGNN-KRWDZBQOSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](OCC)C(C)C ZINC000819742942 606714700 /nfs/dbraw/zinc/71/47/00/606714700.db2.gz CFCPZTMAYLMGNN-KRWDZBQOSA-N -1 3 357.458 2.833 20 30 FFEDHM N#Cc1cc(F)ccc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822823529 606759511 /nfs/dbraw/zinc/75/95/11/606759511.db2.gz SHQKIRCJSIXHLU-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cc(F)ccc1COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822823529 606759513 /nfs/dbraw/zinc/75/95/13/606759513.db2.gz SHQKIRCJSIXHLU-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819844600 606832658 /nfs/dbraw/zinc/83/26/58/606832658.db2.gz IXXRMOVVJLQRJM-LBPRGKRZSA-N -1 3 363.381 2.940 20 30 FFEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819844600 606832659 /nfs/dbraw/zinc/83/26/59/606832659.db2.gz IXXRMOVVJLQRJM-LBPRGKRZSA-N -1 3 363.381 2.940 20 30 FFEDHM C=CCC(CC=C)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819734312 607002730 /nfs/dbraw/zinc/00/27/30/607002730.db2.gz LMWZARFACXAZEZ-UHFFFAOYSA-N -1 3 366.381 2.728 20 30 FFEDHM C=CCC(CC=C)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819734312 607002732 /nfs/dbraw/zinc/00/27/32/607002732.db2.gz LMWZARFACXAZEZ-UHFFFAOYSA-N -1 3 366.381 2.728 20 30 FFEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822825638 607195828 /nfs/dbraw/zinc/19/58/28/607195828.db2.gz JMORDVUNCOSNNU-UHFFFAOYSA-N -1 3 353.773 2.713 20 30 FFEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822825638 607195829 /nfs/dbraw/zinc/19/58/29/607195829.db2.gz JMORDVUNCOSNNU-UHFFFAOYSA-N -1 3 353.773 2.713 20 30 FFEDHM FC(F)(F)c1ccccc1ON=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826369192 607843968 /nfs/dbraw/zinc/84/39/68/607843968.db2.gz RIWKDGNBYFOAEZ-UHFFFAOYSA-N -1 3 373.298 2.946 20 30 FFEDHM FC(F)(F)c1ccccc1ON=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826369192 607843969 /nfs/dbraw/zinc/84/39/69/607843969.db2.gz RIWKDGNBYFOAEZ-UHFFFAOYSA-N -1 3 373.298 2.946 20 30 FFEDHM S=C(NN=Cc1ccccc1-c1nnn[n-]1)Nc1cccc(Cl)c1 ZINC000826512086 607882975 /nfs/dbraw/zinc/88/29/75/607882975.db2.gz OAQFATKUQBZJNF-UHFFFAOYSA-N -1 3 357.830 2.841 20 30 FFEDHM S=C(NN=Cc1ccccc1-c1nn[n-]n1)Nc1cccc(Cl)c1 ZINC000826512086 607882976 /nfs/dbraw/zinc/88/29/76/607882976.db2.gz OAQFATKUQBZJNF-UHFFFAOYSA-N -1 3 357.830 2.841 20 30 FFEDHM C=CCCOCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000823899318 607934723 /nfs/dbraw/zinc/93/47/23/607934723.db2.gz RYZJJHYVBWZJCB-UHFFFAOYSA-N -1 3 362.796 2.634 20 30 FFEDHM C=CCCOCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000823899318 607934724 /nfs/dbraw/zinc/93/47/24/607934724.db2.gz RYZJJHYVBWZJCB-UHFFFAOYSA-N -1 3 362.796 2.634 20 30 FFEDHM C#CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838852 607956401 /nfs/dbraw/zinc/95/64/01/607956401.db2.gz VXCNGIDSQFJXNR-QGZVFWFLSA-N -1 3 363.446 2.840 20 30 FFEDHM C#CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838852 607956402 /nfs/dbraw/zinc/95/64/02/607956402.db2.gz VXCNGIDSQFJXNR-QGZVFWFLSA-N -1 3 363.446 2.840 20 30 FFEDHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000826190825 608004709 /nfs/dbraw/zinc/00/47/09/608004709.db2.gz OHUPJCXVOIXMIB-GFCCVEGCSA-N -1 3 362.393 2.564 20 30 FFEDHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000826190825 608004710 /nfs/dbraw/zinc/00/47/10/608004710.db2.gz OHUPJCXVOIXMIB-GFCCVEGCSA-N -1 3 362.393 2.564 20 30 FFEDHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000826191141 608004802 /nfs/dbraw/zinc/00/48/02/608004802.db2.gz XZXIUBFKQSRSLY-GFCCVEGCSA-N -1 3 362.393 2.564 20 30 FFEDHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000826191141 608004803 /nfs/dbraw/zinc/00/48/03/608004803.db2.gz XZXIUBFKQSRSLY-GFCCVEGCSA-N -1 3 362.393 2.564 20 30 FFEDHM COc1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1F ZINC000826177095 608230885 /nfs/dbraw/zinc/23/08/85/608230885.db2.gz QYQXHTAZWHXBRI-XQRVVYSFSA-N -1 3 364.340 2.558 20 30 FFEDHM COc1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1F ZINC000826177095 608230886 /nfs/dbraw/zinc/23/08/86/608230886.db2.gz QYQXHTAZWHXBRI-XQRVVYSFSA-N -1 3 364.340 2.558 20 30 FFEDHM N#Cc1c[nH]c(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826383544 608301954 /nfs/dbraw/zinc/30/19/54/608301954.db2.gz GGSLKOKVGBSRRF-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM N#Cc1c[nH]c(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826383544 608301956 /nfs/dbraw/zinc/30/19/56/608301956.db2.gz GGSLKOKVGBSRRF-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C#N)s1 ZINC000824129644 608349209 /nfs/dbraw/zinc/34/92/09/608349209.db2.gz CQCGSOVHIDRHNZ-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C#N)s1 ZINC000824129644 608349211 /nfs/dbraw/zinc/34/92/11/608349211.db2.gz CQCGSOVHIDRHNZ-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826385012 608479473 /nfs/dbraw/zinc/47/94/73/608479473.db2.gz UBGGHHFNNBLHTD-UHFFFAOYSA-N -1 3 356.389 2.668 20 30 FFEDHM N#Cc1ccc(C2=CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826385012 608479474 /nfs/dbraw/zinc/47/94/74/608479474.db2.gz UBGGHHFNNBLHTD-UHFFFAOYSA-N -1 3 356.389 2.668 20 30 FFEDHM O=C(C#Cc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826397151 608485480 /nfs/dbraw/zinc/48/54/80/608485480.db2.gz VWNSSWLWIDPTDT-UHFFFAOYSA-N -1 3 355.401 2.534 20 30 FFEDHM O=C(C#Cc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826397151 608485481 /nfs/dbraw/zinc/48/54/81/608485481.db2.gz VWNSSWLWIDPTDT-UHFFFAOYSA-N -1 3 355.401 2.534 20 30 FFEDHM Fc1cc(F)c(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1F ZINC000826372197 608541833 /nfs/dbraw/zinc/54/18/33/608541833.db2.gz MBKIFIHRFHYLIC-UHFFFAOYSA-N -1 3 353.695 2.778 20 30 FFEDHM Fc1cc(F)c(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1F ZINC000826372197 608541835 /nfs/dbraw/zinc/54/18/35/608541835.db2.gz MBKIFIHRFHYLIC-UHFFFAOYSA-N -1 3 353.695 2.778 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000826191013 609269813 /nfs/dbraw/zinc/26/98/13/609269813.db2.gz UJYLJNGOOWMBGC-YVMONPNESA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000826191013 609269814 /nfs/dbraw/zinc/26/98/14/609269814.db2.gz UJYLJNGOOWMBGC-YVMONPNESA-N -1 3 354.341 2.919 20 30 FFEDHM CCc1noc(C2CCC(=NNCc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000825776825 609413040 /nfs/dbraw/zinc/41/30/40/609413040.db2.gz LBLBFNSKIZPFCT-UHFFFAOYSA-N -1 3 366.429 2.616 20 30 FFEDHM CCc1noc(C2CCC(=NNCc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000825776825 609413043 /nfs/dbraw/zinc/41/30/43/609413043.db2.gz LBLBFNSKIZPFCT-UHFFFAOYSA-N -1 3 366.429 2.616 20 30 FFEDHM Cc1cc(C(=O)NCC(C)(C)C#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259378 609431685 /nfs/dbraw/zinc/43/16/85/609431685.db2.gz QDYXAXXCZAMUKZ-UHFFFAOYSA-N -1 3 363.425 2.554 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCO[C@@H](CCC)C1 ZINC000823909746 609540499 /nfs/dbraw/zinc/54/04/99/609540499.db2.gz PJNXCNMPKJESIT-ROUUACIJSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCO[C@@H](CCC)C1 ZINC000823909746 609540500 /nfs/dbraw/zinc/54/05/00/609540500.db2.gz PJNXCNMPKJESIT-ROUUACIJSA-N -1 3 369.469 2.977 20 30 FFEDHM N#Cc1cc(Cl)ccc1COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826383946 609619420 /nfs/dbraw/zinc/61/94/20/609619420.db2.gz YWDXRVAJMBDPAT-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM N#Cc1cc(Cl)ccc1COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826383946 609619421 /nfs/dbraw/zinc/61/94/21/609619421.db2.gz YWDXRVAJMBDPAT-UHFFFAOYSA-N -1 3 369.768 2.514 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2scnc2CC)ccc1F ZINC000157130955 728866533 /nfs/dbraw/zinc/86/65/33/728866533.db2.gz QOCYTSPQRFNIEH-UHFFFAOYSA-N -1 3 369.443 2.561 20 30 FFEDHM Cc1ncsc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000743427693 735297373 /nfs/dbraw/zinc/29/73/73/735297373.db2.gz VMUJXNWBRAYVMF-GFCCVEGCSA-N -1 3 359.436 2.726 20 30 FFEDHM Cc1cc(C)c2c(c1)C(=N[N-]S(=O)(=O)CCc1ccccc1)CCO2 ZINC000743448499 735298226 /nfs/dbraw/zinc/29/82/26/735298226.db2.gz RRTIDKYJUYFWOB-UHFFFAOYSA-N -1 3 358.463 2.952 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC#Cc2ccccc2Cl)cc1 ZINC000746977648 735521579 /nfs/dbraw/zinc/52/15/79/735521579.db2.gz ARNFHVHZSRULAV-UHFFFAOYSA-N -1 3 363.822 2.920 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1C#N ZINC000130289339 728716554 /nfs/dbraw/zinc/71/65/54/728716554.db2.gz UAOLVRGEHAHGJX-UHFFFAOYSA-N -1 3 356.451 2.591 20 30 FFEDHM N#CC[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(F)(F)F ZINC000901773161 735837062 /nfs/dbraw/zinc/83/70/62/735837062.db2.gz XFLKJJBMAGVMDJ-VIFPVBQESA-N -1 3 362.251 2.550 20 30 FFEDHM O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc(Br)ccc1[O-] ZINC000179655163 729191122 /nfs/dbraw/zinc/19/11/22/729191122.db2.gz KKVUEGFAWUCNMN-UHFFFAOYSA-N -1 3 360.163 2.874 20 30 FFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000859426196 730454391 /nfs/dbraw/zinc/45/43/91/730454391.db2.gz ZTVNRBLTYNDBEQ-JTQLQIEISA-N -1 3 366.302 2.526 20 30 FFEDHM C=C(C)CN(CC)C(=O)COC(=O)c1cc([O-])cc(Br)c1 ZINC000860202668 730486778 /nfs/dbraw/zinc/48/67/78/730486778.db2.gz POHBLWVZPVAKEH-UHFFFAOYSA-N -1 3 356.216 2.736 20 30 FFEDHM C=CC(C)(C)CCNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000862396947 730696799 /nfs/dbraw/zinc/69/67/99/730696799.db2.gz FQUCAQGNAIRTQG-GFCCVEGCSA-N -1 3 373.906 2.510 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3c([O-])cccc3Br)CC2)cn1 ZINC000862422519 730700496 /nfs/dbraw/zinc/70/04/96/730700496.db2.gz BAWFDZIVWFXVAI-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647368302 730738967 /nfs/dbraw/zinc/73/89/67/730738967.db2.gz SXFQUKBAJUKCJI-IJEWVQPXSA-N -1 3 350.484 2.694 20 30 FFEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H](n1cncn1)C(F)(F)F ZINC000864347746 730840676 /nfs/dbraw/zinc/84/06/76/730840676.db2.gz XFJLNQOXRYDRLD-DNIHCHEOSA-N -1 3 363.137 2.969 20 30 FFEDHM Cc1csc([C@H]([N-]S(=O)(=O)c2cc(F)cc(C#N)c2)C2CC2)n1 ZINC000866874910 731112285 /nfs/dbraw/zinc/11/22/85/731112285.db2.gz QLYKCYNYGCKTJV-CQSZACIVSA-N -1 3 351.428 2.892 20 30 FFEDHM C=C[C@H](C)NC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868393211 731288469 /nfs/dbraw/zinc/28/84/69/731288469.db2.gz KYCKKSVNAHBGNA-RYUDHWBXSA-N -1 3 355.360 2.943 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000657036549 731709274 /nfs/dbraw/zinc/70/92/74/731709274.db2.gz JOXQAFWMTOBKOQ-JQWIXIFHSA-N -1 3 354.403 2.673 20 30 FFEDHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877773477 732426986 /nfs/dbraw/zinc/42/69/86/732426986.db2.gz PZPKAHKFFZMRFQ-INIZCTEOSA-N -1 3 351.372 2.885 20 30 FFEDHM Cc1cc(C)c(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1Br ZINC000879288207 732678786 /nfs/dbraw/zinc/67/87/86/732678786.db2.gz SXLIVBUFXQLPEV-NSHDSACASA-N -1 3 356.220 2.568 20 30 FFEDHM COc1cc(C(=O)/C=C\c2cc(Br)nn2C)c(OC)cc1[O-] ZINC000782346632 738712142 /nfs/dbraw/zinc/71/21/42/738712142.db2.gz BJLHZDZONVNHDI-PLNGDYQASA-N -1 3 367.199 2.802 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(Cl)cc2c1OCC2 ZINC000782901882 738762854 /nfs/dbraw/zinc/76/28/54/738762854.db2.gz RIZRLGWOCAMUAZ-UHFFFAOYSA-N -1 3 350.827 2.728 20 30 FFEDHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887772287 733973929 /nfs/dbraw/zinc/97/39/29/733973929.db2.gz IMYQTBWYWRBRJI-UHFFFAOYSA-N -1 3 355.312 2.889 20 30 FFEDHM CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(Br)cc(F)c1[O-] ZINC000783864616 738843240 /nfs/dbraw/zinc/84/32/40/738843240.db2.gz WITUFZLNSWYDFN-BETUJISGSA-N -1 3 369.238 2.878 20 30 FFEDHM O=C1[C@H](NCc2nc3ccc(Br)cc3s2)CCCN1[O-] ZINC000895158954 734969868 /nfs/dbraw/zinc/96/98/68/734969868.db2.gz AFUKBLBZZMRKPN-SNVBAGLBSA-N -1 3 356.245 2.529 20 30 FFEDHM O=C1[C@H](NCc2cc(Br)ccc2OC(F)F)CCCN1[O-] ZINC000895165983 734970536 /nfs/dbraw/zinc/97/05/36/734970536.db2.gz NXHVDUJIIYLQIX-SNVBAGLBSA-N -1 3 365.174 2.520 20 30 FFEDHM C[C@@H](Sc1ccccc1C#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736194019 734978272 /nfs/dbraw/zinc/97/82/72/734978272.db2.gz WKXORSJOOOQVQR-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1ccccc1C#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736194019 734978276 /nfs/dbraw/zinc/97/82/76/734978276.db2.gz WKXORSJOOOQVQR-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)O[C@H](C)C(C)(C)C#N)cc1 ZINC000753627621 736082847 /nfs/dbraw/zinc/08/28/47/736082847.db2.gz CASIQLBIYUNHEP-CYBMUJFWSA-N -1 3 368.455 2.697 20 30 FFEDHM Cc1cc(NC(=O)[C@@H](C)SCC(=O)N([O-])Cc2ccc(F)cc2)no1 ZINC000904173100 736230293 /nfs/dbraw/zinc/23/02/93/736230293.db2.gz NHGALKFLFUHPOP-LLVKDONJSA-N -1 3 367.402 2.600 20 30 FFEDHM CCCCN([O-])C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000904208594 736233967 /nfs/dbraw/zinc/23/39/67/736233967.db2.gz BSYXDHVWIPVBPC-UHFFFAOYSA-N -1 3 353.469 2.946 20 30 FFEDHM CCOc1cc(/C=C2\C(=O)c3ncnn3[C@H]2C)cc(Br)c1[O-] ZINC000905080285 736293411 /nfs/dbraw/zinc/29/34/11/736293411.db2.gz JVOSHKDDWRNILQ-HDPPJLHVSA-N -1 3 364.199 2.986 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(C)C ZINC000798471935 740335357 /nfs/dbraw/zinc/33/53/57/740335357.db2.gz HIGZGYXWNUDDMZ-LLVKDONJSA-N -1 3 364.236 2.533 20 30 FFEDHM CCOC(=O)[C@@H]1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@H](C)C1 ZINC000761267246 736715458 /nfs/dbraw/zinc/71/54/58/736715458.db2.gz QDIFUIXQXOXFRI-GDBMZVCRSA-N -1 3 366.483 2.504 20 30 FFEDHM Cn1[n-]c(=O)c2c1CN(C(=O)c1c(Cl)cc(C#N)cc1Cl)CC2 ZINC000913031233 737371120 /nfs/dbraw/zinc/37/11/20/737371120.db2.gz HUMOZDWXIVGUFA-UHFFFAOYSA-N -1 3 351.193 2.503 20 30 FFEDHM [O-]c1ccc(Cl)cc1C=NNC(=S)NCc1ccc2c(c1)OCO2 ZINC000916284249 737692971 /nfs/dbraw/zinc/69/29/71/737692971.db2.gz SSCVKCKOMCEQLK-UHFFFAOYSA-N -1 3 363.826 2.773 20 30 FFEDHM C#CCOC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000916621584 737716441 /nfs/dbraw/zinc/71/64/41/737716441.db2.gz AAMBMLVWUAHNBS-UHFFFAOYSA-N -1 3 364.250 2.718 20 30 FFEDHM CCS(=O)(=O)Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1C ZINC000917558111 737764520 /nfs/dbraw/zinc/76/45/20/737764520.db2.gz GYUPCEZNKOHXCJ-UHFFFAOYSA-N -1 3 350.396 2.624 20 30 FFEDHM CC(Cc1ccc(F)cc1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000814821856 741868224 /nfs/dbraw/zinc/86/82/24/741868224.db2.gz AVCXWWRZEYJQQM-UHFFFAOYSA-N -1 3 365.386 2.772 20 30 FFEDHM N#CCc1ccc(CS(=O)(=O)[N-][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000921317965 737960223 /nfs/dbraw/zinc/96/02/23/737960223.db2.gz MKPUJXJNSHSBPV-WMZOPIPTSA-N -1 3 360.410 2.644 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(F)cc1 ZINC000921463068 737988389 /nfs/dbraw/zinc/98/83/89/737988389.db2.gz FKSXUTVHSPOAHD-HNNXBMFYSA-N -1 3 370.446 2.822 20 30 FFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000786849769 739081908 /nfs/dbraw/zinc/08/19/08/739081908.db2.gz KGNXDZKDYHWDCI-SNVBAGLBSA-N -1 3 354.255 2.785 20 30 FFEDHM COc1ncc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1Cl ZINC000789020344 739309117 /nfs/dbraw/zinc/30/91/17/739309117.db2.gz HCAXCGOHUIPDMA-UHFFFAOYSA-N -1 3 367.858 2.630 20 30 FFEDHM Cc1nc(C)c(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)o1 ZINC000792927596 739719419 /nfs/dbraw/zinc/71/94/19/739719419.db2.gz XYQFSHPAADQONA-AWEZNQCLSA-N -1 3 357.395 2.566 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(Br)cn2)c1[O-] ZINC000794835544 739934429 /nfs/dbraw/zinc/93/44/29/739934429.db2.gz XQACBLAFZMOOCP-LLADZKGESA-N -1 3 350.216 2.926 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(Br)cn2)c1[O-] ZINC000794835539 739934485 /nfs/dbraw/zinc/93/44/85/739934485.db2.gz XQACBLAFZMOOCP-FLGMGOKFSA-N -1 3 350.216 2.926 20 30 FFEDHM N#CC[C@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000795983921 740087126 /nfs/dbraw/zinc/08/71/26/740087126.db2.gz VKKKYUFKQVLTIW-CQSZACIVSA-N -1 3 356.403 2.635 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000796097776 740101188 /nfs/dbraw/zinc/10/11/88/740101188.db2.gz WCGIHOCSUMGJRT-AWEZNQCLSA-N -1 3 362.382 2.647 20 30 FFEDHM Cc1ccc2c(N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])csc2c1 ZINC000797786485 740272841 /nfs/dbraw/zinc/27/28/41/740272841.db2.gz YFHOIZAUXRMNDH-UHFFFAOYSA-N -1 3 363.420 2.692 20 30 FFEDHM C=C[C@H](OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)(C)C ZINC000798906500 740373171 /nfs/dbraw/zinc/37/31/71/740373171.db2.gz LWRQZJVQWRIUOA-DOMZBBRYSA-N -1 3 364.467 2.648 20 30 FFEDHM O=C([N-][C@@H]1CCCC1(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000807521307 741138889 /nfs/dbraw/zinc/13/88/89/741138889.db2.gz DDFGWVMPSAGZAE-SCSAIBSYSA-N -1 3 358.213 2.625 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000811188607 741491956 /nfs/dbraw/zinc/49/19/56/741491956.db2.gz QEBBSIAAMZYGMG-UHFFFAOYSA-N -1 3 350.252 2.717 20 30 FFEDHM C=CCC(C)(C)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000814003859 741780909 /nfs/dbraw/zinc/78/09/09/741780909.db2.gz ULGFYHAWURNMTO-CYBMUJFWSA-N -1 3 364.467 2.649 20 30 FFEDHM COc1cc(C=NN(Cc2ccccc2)S(C)(=O)=O)cc(Cl)c1[O-] ZINC000814238505 741805761 /nfs/dbraw/zinc/80/57/61/741805761.db2.gz SMXNWJNIDMTEKA-UHFFFAOYSA-N -1 3 368.842 2.850 20 30 FFEDHM O=C(CCCOc1cccc(Cl)c1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000816754152 742058815 /nfs/dbraw/zinc/05/88/15/742058815.db2.gz YCAMYRKGAHTDLD-LLVKDONJSA-N -1 3 361.225 2.649 20 30 FFEDHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000823303713 742877547 /nfs/dbraw/zinc/87/75/47/742877547.db2.gz RYLZXVAXDBLLDW-UHFFFAOYSA-N -1 3 357.189 2.724 20 30 FFEDHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(F)(F)C(F)F ZINC000823303713 742877554 /nfs/dbraw/zinc/87/75/54/742877554.db2.gz RYLZXVAXDBLLDW-UHFFFAOYSA-N -1 3 357.189 2.724 20 30 FFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC001043065963 743131153 /nfs/dbraw/zinc/13/11/53/743131153.db2.gz QSOBLIAUDFASGR-MWLCHTKSSA-N -1 3 362.842 2.946 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824776602 743146208 /nfs/dbraw/zinc/14/62/08/743146208.db2.gz CVRGHWWLZZXGCZ-HNNXBMFYSA-N -1 3 361.862 2.843 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824776602 743146213 /nfs/dbraw/zinc/14/62/13/743146213.db2.gz CVRGHWWLZZXGCZ-HNNXBMFYSA-N -1 3 361.862 2.843 20 30 FFEDHM Cc1nn(C)c(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)c1C#N ZINC000825666815 743308405 /nfs/dbraw/zinc/30/84/05/743308405.db2.gz PRPVKQSDRVPZHQ-UHFFFAOYSA-N -1 3 359.861 2.590 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)C[C@H]2C)ccc1F ZINC000840531149 747117887 /nfs/dbraw/zinc/11/78/87/747117887.db2.gz DBCZQJUDMLVKHL-GFCCVEGCSA-N -1 3 354.447 2.551 20 30 FFEDHM CS(=O)(=O)CC1(C/N=C\c2cc(Br)ccc2[O-])CCC1 ZINC000840712030 747164598 /nfs/dbraw/zinc/16/45/98/747164598.db2.gz FJMVJBDCWKHNKV-PXNMLYILSA-N -1 3 360.273 2.789 20 30 FFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]N=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000844643307 748062789 /nfs/dbraw/zinc/06/27/89/748062789.db2.gz JAUQGBRRLQHGPB-UHFFFAOYSA-N -1 3 370.784 2.940 20 30 FFEDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135787 748851154 /nfs/dbraw/zinc/85/11/54/748851154.db2.gz QNAVNXIAOXLHIE-ZDUSSCGKSA-N -1 3 367.427 2.597 20 30 FFEDHM Cc1cc(Br)cc(Cl)c1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135260 748851246 /nfs/dbraw/zinc/85/12/46/748851246.db2.gz LGEMBMQDQUEAOR-JTQLQIEISA-N -1 3 361.623 2.521 20 30 FFEDHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1F ZINC000849473202 749171720 /nfs/dbraw/zinc/17/17/20/749171720.db2.gz FLQMCGSINLUVCB-UHFFFAOYSA-N -1 3 372.393 2.504 20 30 FFEDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000851821945 749688996 /nfs/dbraw/zinc/68/89/96/749688996.db2.gz DCXUISHFYRSOFL-MSOLQXFVSA-N -1 3 362.426 2.734 20 30 FFEDHM CC(C)c1ccc2c(c1)/C(=N/[N-]S(=O)(=O)Cc1ccccc1)C(=O)N2 ZINC000059166338 845415821 /nfs/dbraw/zinc/41/58/21/845415821.db2.gz IQQAFWFEYRLRDK-UHFFFAOYSA-N -1 3 357.435 2.586 20 30 FFEDHM CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000119593569 845635690 /nfs/dbraw/zinc/63/56/90/845635690.db2.gz OLCZZGATTOPGDY-OAHLLOKOSA-N -1 3 355.419 2.654 20 30 FFEDHM C=CCN1CCC(NC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)CC1 ZINC000908945946 939360790 /nfs/dbraw/zinc/36/07/90/939360790.db2.gz MNOXJVJJKANQQJ-IBGZPJMESA-N -1 3 367.449 2.915 20 30 FFEDHM CCN(CC)S(=O)(=O)c1ccc(C)c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493796 970843169 /nfs/dbraw/zinc/84/31/69/970843169.db2.gz BLIYYELDDWTXKE-KRWDZBQOSA-N -1 3 371.462 2.911 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001573279298 946637469 /nfs/dbraw/zinc/63/74/69/946637469.db2.gz FAWAGAHJIKOGRW-OAHLLOKOSA-N -1 3 366.356 2.510 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001573279298 946637474 /nfs/dbraw/zinc/63/74/74/946637474.db2.gz FAWAGAHJIKOGRW-OAHLLOKOSA-N -1 3 366.356 2.510 20 30 FFEDHM C#C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Br)c1ccc(F)cc1 ZINC001573280372 946662007 /nfs/dbraw/zinc/66/20/07/946662007.db2.gz PFOKMSKMIHNPRQ-ZDUSSCGKSA-N -1 3 373.189 2.950 20 30 FFEDHM C#C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Br)c1ccc(F)cc1 ZINC001573280372 946662012 /nfs/dbraw/zinc/66/20/12/946662012.db2.gz PFOKMSKMIHNPRQ-ZDUSSCGKSA-N -1 3 373.189 2.950 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573292925 946941764 /nfs/dbraw/zinc/94/17/64/946941764.db2.gz HFWUUOGGSYZEAU-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573292925 946941769 /nfs/dbraw/zinc/94/17/69/946941769.db2.gz HFWUUOGGSYZEAU-CHWSQXEVSA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573292928 946942776 /nfs/dbraw/zinc/94/27/76/946942776.db2.gz HFWUUOGGSYZEAU-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573292928 946942783 /nfs/dbraw/zinc/94/27/83/946942783.db2.gz HFWUUOGGSYZEAU-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C#N)ccc1F ZINC001573341274 947527312 /nfs/dbraw/zinc/52/73/12/947527312.db2.gz KBNQSCKIDKEKEI-UHFFFAOYSA-N -1 3 362.368 2.706 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C#N)ccc1F ZINC001573341274 947527323 /nfs/dbraw/zinc/52/73/23/947527323.db2.gz KBNQSCKIDKEKEI-UHFFFAOYSA-N -1 3 362.368 2.706 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(OC)c1 ZINC000826190440 947580679 /nfs/dbraw/zinc/58/06/79/947580679.db2.gz BJOPMXURXHWOCH-VMPITWQZSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(OC)c1 ZINC000826190440 947580688 /nfs/dbraw/zinc/58/06/88/947580688.db2.gz BJOPMXURXHWOCH-VMPITWQZSA-N -1 3 354.341 2.919 20 30 FFEDHM C=COc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573350394 947597182 /nfs/dbraw/zinc/59/71/82/947597182.db2.gz DSQYTLFFGPURMX-HNNXBMFYSA-N -1 3 360.377 2.710 20 30 FFEDHM C=COc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573350394 947597188 /nfs/dbraw/zinc/59/71/88/947597188.db2.gz DSQYTLFFGPURMX-HNNXBMFYSA-N -1 3 360.377 2.710 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001573350474 947597371 /nfs/dbraw/zinc/59/73/71/947597371.db2.gz BZEJEEFJYSMKPT-ZANVPECISA-N -1 3 350.220 2.632 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1CNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001573350474 947597380 /nfs/dbraw/zinc/59/73/80/947597380.db2.gz BZEJEEFJYSMKPT-ZANVPECISA-N -1 3 350.220 2.632 20 30 FFEDHM Cc1nc(SCC(=O)OCCC(C)(C)C#N)c(-c2nnn[n-]2)c(C)c1C ZINC000826327450 947954257 /nfs/dbraw/zinc/95/42/57/947954257.db2.gz IFEZOAFLQFWOMM-UHFFFAOYSA-N -1 3 374.470 2.762 20 30 FFEDHM Cc1nc(SCC(=O)OCCC(C)(C)C#N)c(-c2nn[n-]n2)c(C)c1C ZINC000826327450 947954263 /nfs/dbraw/zinc/95/42/63/947954263.db2.gz IFEZOAFLQFWOMM-UHFFFAOYSA-N -1 3 374.470 2.762 20 30 FFEDHM N#Cc1cccc(-c2nnc(CN3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)o2)c1 ZINC001594627321 956322796 /nfs/dbraw/zinc/32/27/96/956322796.db2.gz PETJJUQYLWXZNN-ZWKOTPCHSA-N -1 3 374.400 2.908 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001594298492 957887211 /nfs/dbraw/zinc/88/72/11/957887211.db2.gz QMOLMDZKUDOLRA-JENIJYKNSA-N -1 3 371.481 2.981 20 30 FFEDHM C=C1CCC(C(=O)N2C[C@H]3CCN(C(=O)c4ccccc4[O-])C[C@H]32)CC1 ZINC000975015916 972312247 /nfs/dbraw/zinc/31/22/47/972312247.db2.gz ATFOCTRXWDFJNZ-SJLPKXTDSA-N -1 3 354.450 2.812 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC001594367542 958502238 /nfs/dbraw/zinc/50/22/38/958502238.db2.gz UIEJOQWZVGFHLD-XYJFISCASA-N -1 3 357.454 2.673 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCOc1cccc(F)c1 ZINC000891243284 962538682 /nfs/dbraw/zinc/53/86/82/962538682.db2.gz KQOLKYFLVRTTRR-UHFFFAOYSA-N -1 3 371.412 2.933 20 30 FFEDHM COC(=O)c1ccccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000785116672 966229768 /nfs/dbraw/zinc/22/97/68/966229768.db2.gz LZFUWSWHPYPORQ-UHFFFAOYSA-N -1 3 368.389 2.738 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2csc(C)n2)c(C)c1[O-] ZINC001176130581 1013636578 /nfs/dbraw/zinc/63/65/78/1013636578.db2.gz OIEKGDJRYPJNDW-UHFFFAOYSA-N -1 3 359.407 2.695 20 30 FFEDHM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc(OCC)cc2[O-])C1=O ZINC001271000849 967929503 /nfs/dbraw/zinc/92/95/03/967929503.db2.gz BRXFCZFEQLRHDX-FQEVSTJZSA-N -1 3 358.438 2.574 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3c[nH]ccc-3n2)c(C)c1[O-] ZINC001151976133 1032074842 /nfs/dbraw/zinc/07/48/42/1032074842.db2.gz BWFCPNVAUASZQM-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM CCOC(=O)c1n[n-]c(C2CCN(c3cc(C)cc(F)c3C#N)CC2)n1 ZINC000893531538 974916667 /nfs/dbraw/zinc/91/66/67/974916667.db2.gz KRTVAXOZSDJLIH-UHFFFAOYSA-N -1 3 357.389 2.685 20 30 FFEDHM N#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001087462095 978090080 /nfs/dbraw/zinc/09/00/80/978090080.db2.gz RYXATUPPUODQLR-SJLPKXTDSA-N -1 3 353.397 2.643 20 30 FFEDHM O=C([C@H]1CCCC(F)(F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904185439 980204622 /nfs/dbraw/zinc/20/46/22/980204622.db2.gz BXZXSDVCWQVIKW-LBPRGKRZSA-N -1 3 366.364 2.716 20 30 FFEDHM CCN1C(=O)C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)[C@H]1c1cccnc1 ZINC000904177947 980207819 /nfs/dbraw/zinc/20/78/19/980207819.db2.gz UGIMXLNHCBGSGG-FUHWJXTLSA-N -1 3 357.385 2.548 20 30 FFEDHM O=C(Cn1ncc2ccccc2c1=O)N([O-])CCCCc1ccccc1 ZINC000904200857 980214662 /nfs/dbraw/zinc/21/46/62/980214662.db2.gz GXMNXTYNOXTDMK-UHFFFAOYSA-N -1 3 351.406 2.637 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908752937 981522327 /nfs/dbraw/zinc/52/23/27/981522327.db2.gz TYCHALOIYARJMZ-MSOLQXFVSA-N -1 3 359.470 2.932 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000060951761 985090329 /nfs/dbraw/zinc/09/03/29/985090329.db2.gz JTYFMAHZKMSHAE-UHFFFAOYSA-N -1 3 364.357 2.508 20 30 FFEDHM C#CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000918502133 990408796 /nfs/dbraw/zinc/40/87/96/990408796.db2.gz WZYIYPDYIFOGCX-UHFFFAOYSA-N -1 3 373.430 2.985 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000175121891 991158957 /nfs/dbraw/zinc/15/89/57/991158957.db2.gz UEFSBGGYLOBVFI-LLVKDONJSA-N -1 3 367.315 2.507 20 30 FFEDHM CC(C)c1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)n(Cc2ccccc2)n1 ZINC000880034918 1015739554 /nfs/dbraw/zinc/73/95/54/1015739554.db2.gz KXYIMLWOGCRAKX-HNNXBMFYSA-N -1 3 371.441 2.557 20 30 FFEDHM N#Cc1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000810631038 994857656 /nfs/dbraw/zinc/85/76/56/994857656.db2.gz DBHJTXZZEGWDNS-INIZCTEOSA-N -1 3 370.840 2.707 20 30 FFEDHM CC1(C)c2cc(C(=O)COC(=O)c3cc([O-])cc(C#N)c3)ccc2NC1=O ZINC000811186189 995052402 /nfs/dbraw/zinc/05/24/02/995052402.db2.gz FXPHESWMTURZBU-UHFFFAOYSA-N -1 3 364.357 2.533 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000811186539 995052574 /nfs/dbraw/zinc/05/25/74/995052574.db2.gz QHLBOPQXTOOARH-KRWDZBQOSA-N -1 3 354.337 2.755 20 30 FFEDHM Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187871 995054137 /nfs/dbraw/zinc/05/41/37/995054137.db2.gz OFKOOVVLQPXYFX-AWEZNQCLSA-N -1 3 352.390 2.776 20 30 FFEDHM C#C[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccc(Cl)cc1 ZINC000812351752 995411212 /nfs/dbraw/zinc/41/12/12/995411212.db2.gz SXDMBIBSXGZBKL-KRWDZBQOSA-N -1 3 370.836 2.965 20 30 FFEDHM C[C@@]1(C(=O)[O-])CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC001593777534 996485197 /nfs/dbraw/zinc/48/51/97/996485197.db2.gz ZEEDGEMWQJAQEC-KPZWWZAWSA-N -1 3 357.435 2.659 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CCc2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000734096771 999194255 /nfs/dbraw/zinc/19/42/55/999194255.db2.gz RICYMCIZSJEWQW-UKWGHVSLSA-N -1 3 372.812 2.953 20 30 FFEDHM COC(=O)CCCOc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000734096295 999194402 /nfs/dbraw/zinc/19/44/02/999194402.db2.gz LXHXFNQBSHSUTF-MTJSOVHGSA-N -1 3 372.421 2.539 20 30 FFEDHM Cc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000742464955 999774870 /nfs/dbraw/zinc/77/48/70/999774870.db2.gz VHZDUCNLWHQHMO-AWEZNQCLSA-N -1 3 371.462 2.759 20 30 FFEDHM CC[C@@H](C)Oc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)ccc1OC ZINC000769808977 1000609038 /nfs/dbraw/zinc/60/90/38/1000609038.db2.gz QRFRHBCLAXSRRF-LLVKDONJSA-N -1 3 370.413 2.701 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109633193 1000749562 /nfs/dbraw/zinc/74/95/62/1000749562.db2.gz RQLWTECHJAQYCJ-NBMRYCAZSA-N -1 3 370.497 2.883 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109677291 1000820459 /nfs/dbraw/zinc/82/04/59/1000820459.db2.gz ORWOPWVNZFWGIX-JJDSTIRJSA-N -1 3 370.497 2.883 20 30 FFEDHM Cn1cc(-n2cc(C(=O)N([O-])C(=N)c3ccccc3N)c3ccccc32)cn1 ZINC001148054792 1001024568 /nfs/dbraw/zinc/02/45/68/1001024568.db2.gz RUFJGJKFMCHTPY-UHFFFAOYSA-N -1 3 374.404 2.803 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC001171365664 1001784054 /nfs/dbraw/zinc/78/40/54/1001784054.db2.gz GWYFHJRNNSSXLO-DJJJIMSYSA-N -1 3 361.405 2.854 20 30 FFEDHM C/C(=N\[S@](=O)C(C)(C)C)c1ccc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001171369801 1001982731 /nfs/dbraw/zinc/98/27/31/1001982731.db2.gz QDTABIAAJDWDOL-SNKZARBASA-N -1 3 351.472 2.606 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1CC1CCCC1 ZINC000789404074 1002072237 /nfs/dbraw/zinc/07/22/37/1002072237.db2.gz PJXFFINRGIQVQN-INIZCTEOSA-N -1 3 351.410 2.738 20 30 FFEDHM N#CCCN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182970129 1002110173 /nfs/dbraw/zinc/11/01/73/1002110173.db2.gz QHKTWYVMKATJMX-UHFFFAOYSA-N -1 3 371.824 2.718 20 30 FFEDHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(Cl)c(C#N)c3)c2c1=O ZINC001183779671 1002371757 /nfs/dbraw/zinc/37/17/57/1002371757.db2.gz FKCTZKLJLNQPRH-UHFFFAOYSA-N -1 3 355.785 2.830 20 30 FFEDHM C=C(CC(=O)OCCCC)C(=O)Nc1ncc([O-])cc1Br ZINC001184307077 1002553427 /nfs/dbraw/zinc/55/34/27/1002553427.db2.gz NLYODOXGUBUXAT-UHFFFAOYSA-N -1 3 357.204 2.778 20 30 FFEDHM O=C(c1ccc(C(F)F)o1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001184283798 1002561367 /nfs/dbraw/zinc/56/13/67/1002561367.db2.gz QOMZHJJZPQEGKN-UHFFFAOYSA-N -1 3 364.304 2.735 20 30 FFEDHM C=CC[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC ZINC001187078150 1003560702 /nfs/dbraw/zinc/56/07/02/1003560702.db2.gz RPAQOEMYEAWNLD-LBPRGKRZSA-N -1 3 352.239 2.531 20 30 FFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccn(CC2CC2)c1=O ZINC001196702404 1003919317 /nfs/dbraw/zinc/91/93/17/1003919317.db2.gz ZOZNAQBOSMQBNA-UHFFFAOYSA-N -1 3 363.826 2.584 20 30 FFEDHM Cn1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c2ccccc21 ZINC001196704002 1003919995 /nfs/dbraw/zinc/91/99/95/1003919995.db2.gz KCPYHNBIFHDNBR-UHFFFAOYSA-N -1 3 360.826 2.577 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc(OCC3CCOCC3)nc2)ccc1[O-] ZINC001191924472 1003998235 /nfs/dbraw/zinc/99/82/35/1003998235.db2.gz IRRUWEPNMFUIPQ-UHFFFAOYSA-N -1 3 353.378 2.717 20 30 FFEDHM N#Cc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC001192111583 1004056437 /nfs/dbraw/zinc/05/64/37/1004056437.db2.gz WYPGLARQLPDLDS-UHFFFAOYSA-N -1 3 372.310 2.687 20 30 FFEDHM N#Cc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC001192111583 1004056446 /nfs/dbraw/zinc/05/64/46/1004056446.db2.gz WYPGLARQLPDLDS-UHFFFAOYSA-N -1 3 372.310 2.687 20 30 FFEDHM CCOC(=O)c1cc(Cl)c([N-]S(=O)(=O)[C@H](C)C#N)c(Cl)c1 ZINC001193150266 1004390585 /nfs/dbraw/zinc/39/05/85/1004390585.db2.gz DJBKUQVXHWMXJQ-SSDOTTSWSA-N -1 3 351.211 2.824 20 30 FFEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2c(Cl)nccc2C(C)=O)c1 ZINC001193644677 1004534591 /nfs/dbraw/zinc/53/45/91/1004534591.db2.gz NZQOKYHKQOPHCZ-UHFFFAOYSA-N -1 3 365.798 2.619 20 30 FFEDHM N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CF)c1ccc(F)cc1 ZINC001193925756 1004606531 /nfs/dbraw/zinc/60/65/31/1004606531.db2.gz AGXNJQULHBTGKQ-CQSZACIVSA-N -1 3 367.333 2.595 20 30 FFEDHM CN1CCN(c2ccc(C(=O)Nc3ccc([O-])c(C#N)c3)cc2Cl)CC1 ZINC001194692689 1004793308 /nfs/dbraw/zinc/79/33/08/1004793308.db2.gz LKGXNYLAMHIRRC-UHFFFAOYSA-N -1 3 370.840 2.921 20 30 FFEDHM Cc1cc(C#N)cc(C(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)c1 ZINC001195420710 1004966053 /nfs/dbraw/zinc/96/60/53/1004966053.db2.gz UXFNRCXXUKZBIF-HNNXBMFYSA-N -1 3 357.410 2.523 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121569495 1005192964 /nfs/dbraw/zinc/19/29/64/1005192964.db2.gz ATVZDPOLDLLFIS-CQSZACIVSA-N -1 3 352.394 2.968 20 30 FFEDHM CCN(CCO)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(C)c1 ZINC001201317628 1005198588 /nfs/dbraw/zinc/19/85/88/1005198588.db2.gz XWFQDIXHYWFKQN-UHFFFAOYSA-N -1 3 373.478 2.795 20 30 FFEDHM N#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2Br)CC1 ZINC001201790896 1005274612 /nfs/dbraw/zinc/27/46/12/1005274612.db2.gz FIJNATANVXLUDC-MGCOHNPYSA-N -1 3 361.236 2.949 20 30 FFEDHM Cc1sc2ncn(N=Cc3cn(C)[n-]c3=O)c(=O)c2c1-c1ccccc1 ZINC000814214613 1006207078 /nfs/dbraw/zinc/20/70/78/1006207078.db2.gz FSVYCYCKIDLCQW-UHFFFAOYSA-N -1 3 365.418 2.755 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)Cc2ccccc2C1 ZINC001188097288 1006410596 /nfs/dbraw/zinc/41/05/96/1006410596.db2.gz GABZYXPNUTXHQT-UHFFFAOYSA-N -1 3 368.245 2.728 20 30 FFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1 ZINC000815906694 1006821109 /nfs/dbraw/zinc/82/11/09/1006821109.db2.gz GUDWHJBTICGCRT-CQSZACIVSA-N -1 3 371.780 2.873 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1nn(CC)nc1C ZINC000815908192 1006822408 /nfs/dbraw/zinc/82/24/08/1006822408.db2.gz VMLHCHZBWUWXOS-HNNXBMFYSA-N -1 3 353.426 2.692 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000132091773 1006843382 /nfs/dbraw/zinc/84/33/82/1006843382.db2.gz VUZMKKRWRWUVNF-AYOQOUSVSA-N -1 3 370.449 2.687 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC001116192130 1032182302 /nfs/dbraw/zinc/18/23/02/1032182302.db2.gz XNAADEJVYHXDKX-UHFFFAOYSA-N -1 3 356.382 2.878 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC/C=C/c2ccccc2)ccc1F ZINC000112584577 1006961301 /nfs/dbraw/zinc/96/13/01/1006961301.db2.gz BGWBCBHIYZLCJN-RMKNXTFCSA-N -1 3 374.437 2.733 20 30 FFEDHM O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000816757491 1007192130 /nfs/dbraw/zinc/19/21/30/1007192130.db2.gz TZDMIJYBIMHZMO-INIZCTEOSA-N -1 3 374.824 2.882 20 30 FFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2cccc3nn[n-]c32)c1C#N ZINC000800206160 1007201130 /nfs/dbraw/zinc/20/11/30/1007201130.db2.gz XSDBITGDFGTWGW-UHFFFAOYSA-N -1 3 358.361 2.681 20 30 FFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2cccc3[n-]nnc32)c1C#N ZINC000800206160 1007201138 /nfs/dbraw/zinc/20/11/38/1007201138.db2.gz XSDBITGDFGTWGW-UHFFFAOYSA-N -1 3 358.361 2.681 20 30 FFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2cccc3n[n-]nc32)c1C#N ZINC000800206160 1007201145 /nfs/dbraw/zinc/20/11/45/1007201145.db2.gz XSDBITGDFGTWGW-UHFFFAOYSA-N -1 3 358.361 2.681 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Br)o2)c1 ZINC001190670359 1007725192 /nfs/dbraw/zinc/72/51/92/1007725192.db2.gz JARRNBFZVNPBOO-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(CC3CCC3)CCOCC2)c1 ZINC001190676570 1007744808 /nfs/dbraw/zinc/74/48/08/1007744808.db2.gz HLFRPXHOXOZUAT-UHFFFAOYSA-N -1 3 352.431 2.715 20 30 FFEDHM O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(=O)[n-]c1Cl ZINC001190917484 1007847957 /nfs/dbraw/zinc/84/79/57/1007847957.db2.gz GITANMLNSXMXPL-UHFFFAOYSA-N -1 3 363.156 2.700 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000820476576 1008339138 /nfs/dbraw/zinc/33/91/38/1008339138.db2.gz MYXYYWMKCPWCBI-KCQAQPDRSA-N -1 3 371.462 2.843 20 30 FFEDHM COc1cccc(Nc2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000820482471 1008339792 /nfs/dbraw/zinc/33/97/92/1008339792.db2.gz KTGVCRICTQESFM-KRWDZBQOSA-N -1 3 355.394 2.549 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@]23c2ccccc2N(CC2CC2)C3=O)ccc1[O-] ZINC001179726563 1009425101 /nfs/dbraw/zinc/42/51/01/1009425101.db2.gz JJMXZTWFBZXOCT-HTAPYJJXSA-N -1 3 373.412 2.917 20 30 FFEDHM Cc1nc(C)c(CC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(=O)[n-]1 ZINC000887706197 1009483820 /nfs/dbraw/zinc/48/38/20/1009483820.db2.gz PYUNCFYVYQQOHL-UHFFFAOYSA-N -1 3 350.422 2.619 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773979722 1010398397 /nfs/dbraw/zinc/39/83/97/1010398397.db2.gz JTIPTOZKRXZNAW-INIZCTEOSA-N -1 3 374.400 2.901 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)n(C)n2)cc1 ZINC000773978909 1010398553 /nfs/dbraw/zinc/39/85/53/1010398553.db2.gz DNKKHYHQWHIHOI-OAHLLOKOSA-N -1 3 354.410 2.732 20 30 FFEDHM N#Cc1cccc(CCC(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)c1 ZINC001182334295 1010524619 /nfs/dbraw/zinc/52/46/19/1010524619.db2.gz IMZYNPDEENDMCU-UHFFFAOYSA-N -1 3 359.389 2.673 20 30 FFEDHM COc1cc(C(=O)/C=C/c2cc(C(=O)OC(C)(C)C)nn2C)ccc1[O-] ZINC000865217416 1010748292 /nfs/dbraw/zinc/74/82/92/1010748292.db2.gz LROHPJMNRNNXNU-VQHVLOKHSA-N -1 3 358.394 2.986 20 30 FFEDHM COCc1sccc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000870143523 1012194162 /nfs/dbraw/zinc/19/41/62/1012194162.db2.gz UZJVSLXKUUVOJQ-CYBMUJFWSA-N -1 3 374.418 2.873 20 30 FFEDHM C=C[C@](C)(O)CC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316814 1012855663 /nfs/dbraw/zinc/85/56/63/1012855663.db2.gz ZAMWZEUBPGDWKV-PXAZEXFGSA-N -1 3 370.371 2.513 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)NCc1c([O-])cccc1F ZINC000928712865 1019086837 /nfs/dbraw/zinc/08/68/37/1019086837.db2.gz ZPHIGNBHKOXRFI-UHFFFAOYSA-N -1 3 358.369 2.887 20 30 FFEDHM Cc1nc(-c2ccc(NC(=O)NCC#C[C@@H]3CCCCO3)cc2)cc(=O)[n-]1 ZINC000929762816 1019635427 /nfs/dbraw/zinc/63/54/27/1019635427.db2.gz JBXKCAKIXHOPNE-KRWDZBQOSA-N -1 3 366.421 2.852 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110984938 1019950743 /nfs/dbraw/zinc/95/07/43/1019950743.db2.gz ORWOPWVNZFWGIX-PZTGFMGMSA-N -1 3 370.497 2.883 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]([C@H]1CCOC1)C(F)(F)F ZINC000778016848 1020541975 /nfs/dbraw/zinc/54/19/75/1020541975.db2.gz MEEWKBFVAVURAA-XHDPSFHLSA-N -1 3 372.343 2.719 20 30 FFEDHM CC1CCN(c2ccc(F)cc2NC(=O)N[C@@H]2CCCN([O-])C2=O)CC1 ZINC000933253651 1020984572 /nfs/dbraw/zinc/98/45/72/1020984572.db2.gz IYKZAAMCTVFHSD-CQSZACIVSA-N -1 3 364.421 2.564 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000041496180 1022085075 /nfs/dbraw/zinc/08/50/75/1022085075.db2.gz LPFLBPBNAOBNJF-HNNXBMFYSA-N -1 3 359.389 2.549 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001118500229 1022265228 /nfs/dbraw/zinc/26/52/28/1022265228.db2.gz FUWHBGVIPIBXLG-BETUJISGSA-N -1 3 367.446 2.590 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(CCC(C)C)nn2)cc1 ZINC000158721761 1022558175 /nfs/dbraw/zinc/55/81/75/1022558175.db2.gz NYHWZWLKSXXDHE-INIZCTEOSA-N -1 3 353.426 2.848 20 30 FFEDHM C=CC[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2C[C@H]2CCCO2)C1 ZINC001122812467 1023489231 /nfs/dbraw/zinc/48/92/31/1023489231.db2.gz ZQTCATQFFRPWMY-UONOGXRCSA-N -1 3 359.430 2.610 20 30 FFEDHM COCCCOc1cc(C)ccc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000755031435 1023557521 /nfs/dbraw/zinc/55/75/21/1023557521.db2.gz JGAJLOWBTUWYOR-MTJSOVHGSA-N -1 3 358.438 2.931 20 30 FFEDHM C#CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000190996951 1023724893 /nfs/dbraw/zinc/72/48/93/1023724893.db2.gz AEHVBIMDWXZGCR-UHFFFAOYSA-N -1 3 372.446 2.510 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@@H](CO)[C@@H]3C)n2C)c1[O-] ZINC001121535694 1023833355 /nfs/dbraw/zinc/83/33/55/1023833355.db2.gz WDPKZKBVUUQZME-HOCLYGCPSA-N -1 3 356.470 2.904 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001121546806 1023841531 /nfs/dbraw/zinc/84/15/31/1023841531.db2.gz WJCJXXVRQPYVML-MRXNPFEDSA-N -1 3 367.409 2.793 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(F)(C2CC2)CC1 ZINC001121607553 1023877561 /nfs/dbraw/zinc/87/75/61/1023877561.db2.gz OKICCDUCXOQTSL-UHFFFAOYSA-N -1 3 358.421 2.654 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001121716199 1023942744 /nfs/dbraw/zinc/94/27/44/1023942744.db2.gz CHMMJIVCIUGGTF-JTQLQIEISA-N -1 3 359.821 2.806 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001121716199 1023942748 /nfs/dbraw/zinc/94/27/48/1023942748.db2.gz CHMMJIVCIUGGTF-JTQLQIEISA-N -1 3 359.821 2.806 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)n(C(C)(C)C)n2)c1 ZINC000193429889 1024510250 /nfs/dbraw/zinc/51/02/50/1024510250.db2.gz IRRSQBBPMPBHJY-OAHLLOKOSA-N -1 3 354.410 2.916 20 30 FFEDHM CCOC(=O)C1(CNc2nc(SC)nc(Cl)c2/C=N/[O-])CCC1 ZINC001158620245 1027075526 /nfs/dbraw/zinc/07/55/26/1027075526.db2.gz WAQPARCJLMUIRE-REZTVBANSA-N -1 3 358.851 2.805 20 30 FFEDHM Cc1ccc(-c2nc3ccccc3c(N[C@@H]3C(=O)N([O-])C[C@@H]3C)n2)s1 ZINC001160176085 1027624624 /nfs/dbraw/zinc/62/46/24/1027624624.db2.gz FHKVGSGVMIOOGZ-BONVTDFDSA-N -1 3 354.435 2.737 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cc(Cl)nc(-c2ccccc2)n1 ZINC001160176349 1027624743 /nfs/dbraw/zinc/62/47/43/1027624743.db2.gz NKFAFMBDOMNFRX-ZANVPECISA-N -1 3 368.771 2.672 20 30 FFEDHM Cc1noc([N-]C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c1C#N ZINC001154260953 1028209460 /nfs/dbraw/zinc/20/94/60/1028209460.db2.gz BEXBZKOCHWJMRJ-UHFFFAOYSA-N -1 3 371.356 2.806 20 30 FFEDHM N#Cc1nc2ccc(NC(=O)c3ccc4c(=O)[n-][nH]c(=O)c4c3)cc2s1 ZINC001154316924 1028237683 /nfs/dbraw/zinc/23/76/83/1028237683.db2.gz RLTAWKJEHVUOCX-UHFFFAOYSA-N -1 3 363.358 2.775 20 30 FFEDHM N#Cc1nc2ccc(NC(=O)c3ccc4c(=O)[nH][n-]c(=O)c4c3)cc2s1 ZINC001154316924 1028237696 /nfs/dbraw/zinc/23/76/96/1028237696.db2.gz RLTAWKJEHVUOCX-UHFFFAOYSA-N -1 3 363.358 2.775 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc3c(Br)cccn3n2)ccc1[O-] ZINC001154744005 1028433431 /nfs/dbraw/zinc/43/34/31/1028433431.db2.gz SVGHFECLQSFEHL-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CCCCC(=O)OCc2ccccc2)c1[O-] ZINC000781542429 1029265889 /nfs/dbraw/zinc/26/58/89/1029265889.db2.gz DRQQGRRZKMAIMA-CIAFOILYSA-N -1 3 356.422 2.921 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CC(C)C)c2)cc1OC ZINC000781766617 1029392921 /nfs/dbraw/zinc/39/29/21/1029392921.db2.gz NCDIJCIMFVPEEA-HNNXBMFYSA-N -1 3 370.409 2.517 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2cccc(OC)c2)c(C)c1[O-] ZINC001142845355 1030946170 /nfs/dbraw/zinc/94/61/70/1030946170.db2.gz OBPSWXZPYMEGIN-UHFFFAOYSA-N -1 3 368.389 2.939 20 30 FFEDHM N#Cc1ccc(F)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1F ZINC001143176027 1031284659 /nfs/dbraw/zinc/28/46/59/1031284659.db2.gz OGUBVEBQXPRUSC-UHFFFAOYSA-N -1 3 357.360 2.500 20 30 FFEDHM N#Cc1ccc(NC(=O)c2[nH]nc3ncc(Br)cc32)c([O-])c1 ZINC001151739603 1032019760 /nfs/dbraw/zinc/01/97/60/1032019760.db2.gz QTZUGDHJZFCUMU-UHFFFAOYSA-N -1 3 358.155 2.550 20 30 FFEDHM C=CCN1C(=O)C[C@@]2(CCCN(Cc3cc(F)c([O-])c(Cl)c3)C2)C1=O ZINC001276992795 1033983346 /nfs/dbraw/zinc/98/33/46/1033983346.db2.gz YYSXVDJYOVQHJG-GOSISDBHSA-N -1 3 366.820 2.712 20 30 FFEDHM Cc1cc(=O)c(C#N)c(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n-]1 ZINC001225467647 1034265226 /nfs/dbraw/zinc/26/52/26/1034265226.db2.gz ULLGSFIMNDKJNY-UHFFFAOYSA-N -1 3 354.366 2.923 20 30 FFEDHM CC(C)n1nnc([N-]C(=O)c2occc2COc2cccc(C#N)c2)n1 ZINC001535608885 1069854521 /nfs/dbraw/zinc/85/45/21/1069854521.db2.gz TVCWHLJMTVABKS-UHFFFAOYSA-N -1 3 352.354 2.550 20 30 FFEDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226253465 1034595521 /nfs/dbraw/zinc/59/55/21/1034595521.db2.gz JDEXTDQJRQCNNQ-ZONTVSLUSA-N -1 3 350.419 2.699 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2cc3c(C)cc(=O)oc3cc2[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001226538780 1034726157 /nfs/dbraw/zinc/72/61/57/1034726157.db2.gz VRVPFVCHNIYCCN-JUKXBJQTSA-N -1 3 360.362 2.617 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226597624 1034752497 /nfs/dbraw/zinc/75/24/97/1034752497.db2.gz VMALLLFMKUWOEZ-TZMCWYRMSA-N -1 3 372.377 2.636 20 30 FFEDHM COc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C#N ZINC001536115880 1069924485 /nfs/dbraw/zinc/92/44/85/1069924485.db2.gz FWBYLBDABFQDKB-UHFFFAOYSA-N -1 3 350.378 2.727 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)nn1C(C)C ZINC000835066894 1035503993 /nfs/dbraw/zinc/50/39/93/1035503993.db2.gz DTANHQKLNBMSRT-CQSZACIVSA-N -1 3 368.393 2.505 20 30 FFEDHM CCC1=C(Oc2cccc([O-])c2I)C(=O)[C@@H](C)O1 ZINC001227379144 1035521789 /nfs/dbraw/zinc/52/17/89/1035521789.db2.gz CELPDJPOIBLQKV-SSDOTTSWSA-N -1 3 360.147 2.985 20 30 FFEDHM N#Cc1ccc([O-])c(CN2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001232676913 1035936046 /nfs/dbraw/zinc/93/60/46/1035936046.db2.gz VAMVVWKHLXNVKW-WBVHZDCISA-N -1 3 351.406 2.593 20 30 FFEDHM N#Cc1ccc(CN2CCO[C@]3(CCCN(c4cccnc4)C3)C2)c([O-])c1 ZINC001233384421 1036584294 /nfs/dbraw/zinc/58/42/94/1036584294.db2.gz VGPCRUQBARXFQZ-OAQYLSRUSA-N -1 3 364.449 2.530 20 30 FFEDHM N#Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)c([O-])c1 ZINC001233388450 1036589004 /nfs/dbraw/zinc/58/90/04/1036589004.db2.gz ZQBKCVICPYPXCH-MRXNPFEDSA-N -1 3 353.397 2.797 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1cc([O-])cc(C#N)c1)CCO2 ZINC001234141418 1036937476 /nfs/dbraw/zinc/93/74/76/1036937476.db2.gz OQSBMLOTARYSTR-OAHLLOKOSA-N -1 3 360.410 2.811 20 30 FFEDHM N#Cc1cc([O-])cc(OC[C@@H]2OCCc3cn(Cc4ccncc4)nc32)c1 ZINC001234141001 1036938576 /nfs/dbraw/zinc/93/85/76/1036938576.db2.gz NHUMPOGENYIUOV-IBGZPJMESA-N -1 3 362.389 2.596 20 30 FFEDHM CCCC#CC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001277875828 1037136328 /nfs/dbraw/zinc/13/63/28/1037136328.db2.gz HYBIDJBELCBOHN-BLVKFPJESA-N -1 3 369.446 2.735 20 30 FFEDHM C=C(C)CN1CC[C@]2(CCN(Cc3ccc(F)c(C(=O)[O-])c3F)C2)C1=O ZINC001276518059 1037287732 /nfs/dbraw/zinc/28/77/32/1037287732.db2.gz LFNHWSCGPNWRIR-IBGZPJMESA-N -1 3 364.392 2.664 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2[n-]c(=O)ncc2-c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001230971302 1037425135 /nfs/dbraw/zinc/42/51/35/1037425135.db2.gz FXLDQPLDCVYVIW-QBYUYEEZSA-N -1 3 356.378 2.659 20 30 FFEDHM C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001231562760 1037685475 /nfs/dbraw/zinc/68/54/75/1037685475.db2.gz DIAFQFHLNHVCBR-FQEVSTJZSA-N -1 3 358.438 2.624 20 30 FFEDHM C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001231562760 1037685484 /nfs/dbraw/zinc/68/54/84/1037685484.db2.gz DIAFQFHLNHVCBR-FQEVSTJZSA-N -1 3 358.438 2.624 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001276566247 1038161592 /nfs/dbraw/zinc/16/15/92/1038161592.db2.gz MWFZHBQAMDYKEY-AWEZNQCLSA-N -1 3 350.409 2.965 20 30 FFEDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1cccc(C#N)c1)C(C)C ZINC001258472619 1039387061 /nfs/dbraw/zinc/38/70/61/1039387061.db2.gz GYSRHFCSXKEXRO-CQSZACIVSA-N -1 3 366.874 2.929 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccn(C(F)F)c2=O)c(Cl)c1 ZINC001259114985 1039723651 /nfs/dbraw/zinc/72/36/51/1039723651.db2.gz OIFOMFCKNWVHOJ-UHFFFAOYSA-N -1 3 359.741 2.569 20 30 FFEDHM N#Cc1ccccc1OCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259472564 1040036376 /nfs/dbraw/zinc/03/63/76/1040036376.db2.gz XZHFLGMODXAOLX-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)ccc1C#N ZINC001260834118 1040837171 /nfs/dbraw/zinc/83/71/71/1040837171.db2.gz BKBFTDFKKHRIQL-UHFFFAOYSA-N -1 3 364.810 2.940 20 30 FFEDHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](C#N)CC1 ZINC001261062033 1040968951 /nfs/dbraw/zinc/96/89/51/1040968951.db2.gz AOMKJLGJGUVGLB-DTORHVGOSA-N -1 3 362.860 2.549 20 30 FFEDHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2)no1 ZINC001255133006 1041165817 /nfs/dbraw/zinc/16/58/17/1041165817.db2.gz KGDZMFIGMZVNLJ-UHFFFAOYSA-N -1 3 368.418 2.590 20 30 FFEDHM Cc1ccnc(Oc2cc(NC(=O)N[C@H]3CCCN([O-])C3=O)ccc2C)c1 ZINC001215477307 1041799184 /nfs/dbraw/zinc/79/91/84/1041799184.db2.gz JNTXTOGUTGVVBC-HNNXBMFYSA-N -1 3 370.409 2.992 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(OC2CCCC2)CC1 ZINC001262957201 1041988623 /nfs/dbraw/zinc/98/86/23/1041988623.db2.gz MCVIVJSMYJDCQS-UHFFFAOYSA-N -1 3 370.457 2.555 20 30 FFEDHM C#CC1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2ccccc2)CC1 ZINC001263163818 1042142872 /nfs/dbraw/zinc/14/28/72/1042142872.db2.gz AZYUIKDALIMAPU-UHFFFAOYSA-N -1 3 367.844 2.615 20 30 FFEDHM C#CC1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2ccccc2)CC1 ZINC001263163818 1042142873 /nfs/dbraw/zinc/14/28/73/1042142873.db2.gz AZYUIKDALIMAPU-UHFFFAOYSA-N -1 3 367.844 2.615 20 30 FFEDHM C=C[C@H](CC(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)c1ccccc1 ZINC001263947369 1042549111 /nfs/dbraw/zinc/54/91/11/1042549111.db2.gz PLRXSMLAYCCDFM-MRXNPFEDSA-N -1 3 366.465 2.936 20 30 FFEDHM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3cc(F)cc(C#N)c3)c2C1 ZINC001309817858 1043539548 /nfs/dbraw/zinc/53/95/48/1043539548.db2.gz HYWJOXXMQZKWJF-UHFFFAOYSA-N -1 3 363.414 2.679 20 30 FFEDHM C#CCN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC001309843035 1043551099 /nfs/dbraw/zinc/55/10/99/1043551099.db2.gz FRDGNTFZBDBMCB-GFCCVEGCSA-N -1 3 361.294 2.678 20 30 FFEDHM O=C(Nc1ccccc1N1CCc2ccccc21)N[C@H]1CCCN([O-])C1=O ZINC001310085791 1043634388 /nfs/dbraw/zinc/63/43/88/1043634388.db2.gz VORMVLIYYWKTJY-INIZCTEOSA-N -1 3 366.421 2.883 20 30 FFEDHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn(CC)c1 ZINC001318520636 1044726845 /nfs/dbraw/zinc/72/68/45/1044726845.db2.gz LMAGYGPSPNGRKL-UHFFFAOYSA-N -1 3 369.450 2.813 20 30 FFEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001320426243 1045406096 /nfs/dbraw/zinc/40/60/96/1045406096.db2.gz JBVURRNFILBUGP-LBPRGKRZSA-N -1 3 358.872 2.943 20 30 FFEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001320582111 1045432348 /nfs/dbraw/zinc/43/23/48/1045432348.db2.gz URRSIPYXBRKHDW-VIFPVBQESA-N -1 3 354.653 2.582 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1ncn(Cc2cccnc2)n1 ZINC001320976576 1045505461 /nfs/dbraw/zinc/50/54/61/1045505461.db2.gz XQPNCRNCKUODQO-UHFFFAOYSA-N -1 3 373.376 2.538 20 30 FFEDHM C=C[C@@](C)(O)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001540334261 1070850502 /nfs/dbraw/zinc/85/05/02/1070850502.db2.gz ZNOHQEYFGRMUTR-GOSISDBHSA-N -1 3 360.435 2.671 20 30 FFEDHM C=CCCn1cc(CN[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])nn1 ZINC001333144521 1048730685 /nfs/dbraw/zinc/73/06/85/1048730685.db2.gz KQPBOLNAYPCNON-IBGZPJMESA-N -1 3 350.422 2.793 20 30 FFEDHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC001339852590 1050270137 /nfs/dbraw/zinc/27/01/37/1050270137.db2.gz COWLKGPKMANZHH-GOSISDBHSA-N -1 3 356.447 2.997 20 30 FFEDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N(CCC#N)CC1CC1 ZINC001340210126 1050618138 /nfs/dbraw/zinc/61/81/38/1050618138.db2.gz PMSDWHNEDZMIAH-UHFFFAOYSA-N -1 3 354.439 2.927 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001340571880 1050958823 /nfs/dbraw/zinc/95/88/23/1050958823.db2.gz OVKGSZXABMUANP-GFCCVEGCSA-N -1 3 366.425 2.838 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)OCCCO2)c1nc(N)c2ccccc2n1 ZINC001342516483 1051119791 /nfs/dbraw/zinc/11/97/91/1051119791.db2.gz ANKJDAZYBHQSNO-AWEZNQCLSA-N -1 3 360.373 2.863 20 30 FFEDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001304133089 1051553050 /nfs/dbraw/zinc/55/30/50/1051553050.db2.gz UISXRGOOVXQRNN-VIFPVBQESA-N -1 3 367.331 2.730 20 30 FFEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001306897610 1052215130 /nfs/dbraw/zinc/21/51/30/1052215130.db2.gz UWBQTTYNXHUVOV-NSHDSACASA-N -1 3 355.232 2.820 20 30 FFEDHM O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)N([O-])CCCCc1ccccc1 ZINC001306896397 1052215238 /nfs/dbraw/zinc/21/52/38/1052215238.db2.gz VUNCQDNXUUUFRH-MSOLQXFVSA-N -1 3 363.454 2.928 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(OC2CCC2)CC1 ZINC001343581872 1052318550 /nfs/dbraw/zinc/31/85/50/1052318550.db2.gz WPHCFQDTGPUJEH-UHFFFAOYSA-N -1 3 370.457 2.555 20 30 FFEDHM C=CC[C@@H](C(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001347670787 1054210500 /nfs/dbraw/zinc/21/05/00/1054210500.db2.gz GRUPEAONWHLGAJ-QZTJIDSGSA-N -1 3 366.465 2.936 20 30 FFEDHM C=C[C@@H](CC(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001348175639 1054724257 /nfs/dbraw/zinc/72/42/57/1054724257.db2.gz GQUKTQZIWMEZFK-DOTOQJQBSA-N -1 3 352.438 2.545 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001351789405 1055001120 /nfs/dbraw/zinc/00/11/20/1055001120.db2.gz KHKYAPXCITVLQZ-CYBMUJFWSA-N -1 3 373.310 2.696 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1cccc(OC)c1 ZINC001352064447 1055165341 /nfs/dbraw/zinc/16/53/41/1055165341.db2.gz ZPXZDCZZDXUPSG-UHFFFAOYSA-N -1 3 366.425 2.580 20 30 FFEDHM C=C[C@@H](C)ONC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001300210224 1056119593 /nfs/dbraw/zinc/11/95/93/1056119593.db2.gz DJCFPAPSRLYMRP-GFCCVEGCSA-N -1 3 364.398 2.862 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001339198082 1056193037 /nfs/dbraw/zinc/19/30/37/1056193037.db2.gz UZIWQSNZLKODJY-AWEZNQCLSA-N -1 3 360.487 2.513 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCC2CC2)ccc1F ZINC001544581435 1071663604 /nfs/dbraw/zinc/66/36/04/1071663604.db2.gz RHYXXMLYPLJMPH-UHFFFAOYSA-N -1 3 354.447 2.600 20 30 FFEDHM N#Cc1cccc(C(=O)[N-]N2Cc3ccccc3C2=O)c1Br ZINC001447568495 1058672952 /nfs/dbraw/zinc/67/29/52/1058672952.db2.gz MYWCQZVUMALFCX-UHFFFAOYSA-N -1 3 356.179 2.622 20 30 FFEDHM CC(C)OCc1nc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)no1 ZINC001450776768 1059051140 /nfs/dbraw/zinc/05/11/40/1059051140.db2.gz XTLJVFBWFGHQBR-LLVKDONJSA-N -1 3 364.352 2.835 20 30 FFEDHM Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000848138316 1059113645 /nfs/dbraw/zinc/11/36/45/1059113645.db2.gz ONXZYUPXOUKIBA-GOSISDBHSA-N -1 3 366.417 2.644 20 30 FFEDHM N#CC[C@@H]([N-]C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC001354559920 1059162772 /nfs/dbraw/zinc/16/27/72/1059162772.db2.gz XGSDBQVTNJGJFU-SECBINFHSA-N -1 3 371.212 2.744 20 30 FFEDHM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(F)n1 ZINC001516711546 1060198284 /nfs/dbraw/zinc/19/82/84/1060198284.db2.gz WSDAOJSYDOVAIM-AWEZNQCLSA-N -1 3 351.297 2.805 20 30 FFEDHM Cn1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC001458309938 1060563256 /nfs/dbraw/zinc/56/32/56/1060563256.db2.gz KFCFBXSZGBMCDV-UHFFFAOYSA-N -1 3 350.338 2.580 20 30 FFEDHM Cc1nnsc1C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001475345109 1061056709 /nfs/dbraw/zinc/05/67/09/1061056709.db2.gz WABXYOXUNVNGSJ-UHFFFAOYSA-N -1 3 364.477 2.720 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CF)c1ccc(F)cc1 ZINC001475604072 1061160156 /nfs/dbraw/zinc/16/01/56/1061160156.db2.gz PIIWBTOESGVEFU-ZDUSSCGKSA-N -1 3 367.333 2.595 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC001524188369 1062749388 /nfs/dbraw/zinc/74/93/88/1062749388.db2.gz DPBBBDCCOFUBDI-INIZCTEOSA-N -1 3 367.409 2.793 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001471810988 1064799612 /nfs/dbraw/zinc/79/96/12/1064799612.db2.gz KIXBXZDBNJKIHY-UHFFFAOYSA-N -1 3 363.377 2.553 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001575302617 1078127538 /nfs/dbraw/zinc/12/75/38/1078127538.db2.gz JXRQINYYIRVXMW-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001575302617 1078127539 /nfs/dbraw/zinc/12/75/39/1078127539.db2.gz JXRQINYYIRVXMW-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM O=C(c1ccc(Cl)s1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001472617975 1065112826 /nfs/dbraw/zinc/11/28/26/1065112826.db2.gz IMUADFPKOKADFZ-UHFFFAOYSA-N -1 3 364.810 2.919 20 30 FFEDHM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N([O-])CCCCc1ccccc1 ZINC001472620306 1065113344 /nfs/dbraw/zinc/11/33/44/1065113344.db2.gz XCAFZGOCWAFCQN-ROUUACIJSA-N -1 3 372.465 2.792 20 30 FFEDHM CN(C(=O)c1ccc(C#N)cc1F)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001578921464 1078546683 /nfs/dbraw/zinc/54/66/83/1078546683.db2.gz ROAPYJCGWUGKOC-UHFFFAOYSA-N -1 3 356.748 2.807 20 30 FFEDHM CN(C(=O)c1ccc(C#N)cc1F)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001578921464 1078546686 /nfs/dbraw/zinc/54/66/86/1078546686.db2.gz ROAPYJCGWUGKOC-UHFFFAOYSA-N -1 3 356.748 2.807 20 30 FFEDHM COc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001579890002 1078709175 /nfs/dbraw/zinc/70/91/75/1078709175.db2.gz JWDXIQIOTCJJSP-LBPRGKRZSA-N -1 3 362.393 2.580 20 30 FFEDHM COc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001579890002 1078709177 /nfs/dbraw/zinc/70/91/77/1078709177.db2.gz JWDXIQIOTCJJSP-LBPRGKRZSA-N -1 3 362.393 2.580 20 30 FFEDHM C[C@@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001580310950 1078785688 /nfs/dbraw/zinc/78/56/88/1078785688.db2.gz XVLALKWVJOOFBT-GFCCVEGCSA-N -1 3 362.393 2.722 20 30 FFEDHM C[C@@H](OC(=O)c1cc(C#N)cc(N(C)C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001580310950 1078785693 /nfs/dbraw/zinc/78/56/93/1078785693.db2.gz XVLALKWVJOOFBT-GFCCVEGCSA-N -1 3 362.393 2.722 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1cnc(Cl)cc1C#N ZINC001580613755 1078837564 /nfs/dbraw/zinc/83/75/64/1078837564.db2.gz HQUAZPMWCCETHN-UHFFFAOYSA-N -1 3 367.800 2.585 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1cnc(Cl)cc1C#N ZINC001580613755 1078837566 /nfs/dbraw/zinc/83/75/66/1078837566.db2.gz HQUAZPMWCCETHN-UHFFFAOYSA-N -1 3 367.800 2.585 20 30 FFEDHM N#Cc1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC001581872035 1079010473 /nfs/dbraw/zinc/01/04/73/1079010473.db2.gz HSJWVNPXZARYPV-UHFFFAOYSA-N -1 3 357.280 2.537 20 30 FFEDHM N#Cc1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC001581872035 1079010481 /nfs/dbraw/zinc/01/04/81/1079010481.db2.gz HSJWVNPXZARYPV-UHFFFAOYSA-N -1 3 357.280 2.537 20 30 FFEDHM N#Cc1cc(F)cc(Cl)c1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001581866424 1079010551 /nfs/dbraw/zinc/01/05/51/1079010551.db2.gz BUSCCWSJHIUDBW-UHFFFAOYSA-N -1 3 359.748 2.989 20 30 FFEDHM N#Cc1cc(F)cc(Cl)c1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001581866424 1079010559 /nfs/dbraw/zinc/01/05/59/1079010559.db2.gz BUSCCWSJHIUDBW-UHFFFAOYSA-N -1 3 359.748 2.989 20 30 FFEDHM N#Cc1ccc(N2CCC(Nc3cc(F)cc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001581871270 1079010884 /nfs/dbraw/zinc/01/08/84/1079010884.db2.gz OBXZHGBZBKAMMY-UHFFFAOYSA-N -1 3 363.400 2.958 20 30 FFEDHM N#Cc1ccc(N2CCC(Nc3cc(F)cc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001581871270 1079010889 /nfs/dbraw/zinc/01/08/89/1079010889.db2.gz OBXZHGBZBKAMMY-UHFFFAOYSA-N -1 3 363.400 2.958 20 30 FFEDHM N#Cc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC001581875019 1079012931 /nfs/dbraw/zinc/01/29/31/1079012931.db2.gz SBXRUYTWRONMKJ-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC001581875019 1079012938 /nfs/dbraw/zinc/01/29/38/1079012938.db2.gz SBXRUYTWRONMKJ-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM C=CCCOCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001556090888 1075699829 /nfs/dbraw/zinc/69/98/29/1075699829.db2.gz PISOIBBXPRBQTH-UHFFFAOYSA-N -1 3 365.227 2.613 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3ncccc3[O-])C2)C1 ZINC001556163876 1075711441 /nfs/dbraw/zinc/71/14/41/1075711441.db2.gz NGQCHBKWZVMBFG-FWHMADFJSA-N -1 3 372.425 2.513 20 30 FFEDHM C#CCOc1ccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001556660159 1075762506 /nfs/dbraw/zinc/76/25/06/1075762506.db2.gz HBAANFKFGODPRT-UHFFFAOYSA-N -1 3 368.339 2.748 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC001556749782 1075771254 /nfs/dbraw/zinc/77/12/54/1075771254.db2.gz PMIOSFPUHTXBTO-HOCLYGCPSA-N -1 3 360.410 2.765 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001568117500 1077072016 /nfs/dbraw/zinc/07/20/16/1077072016.db2.gz QOLVIZFPIAUACQ-HNNXBMFYSA-N -1 3 358.829 2.653 20 30 FFEDHM C#C[C@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588327114 1079984248 /nfs/dbraw/zinc/98/42/48/1079984248.db2.gz BXCOQIHNFZSEPF-KRWDZBQOSA-N -1 3 363.396 2.774 20 30 FFEDHM C#C[C@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588327114 1079984252 /nfs/dbraw/zinc/98/42/52/1079984252.db2.gz BXCOQIHNFZSEPF-KRWDZBQOSA-N -1 3 363.396 2.774 20 30 FFEDHM C#C[C@@H](Nc1ncc(Br)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588329114 1079986299 /nfs/dbraw/zinc/98/62/99/1079986299.db2.gz YELVWHVJYOTNCL-CYBMUJFWSA-N -1 3 373.189 2.950 20 30 FFEDHM C#C[C@@H](Nc1ncc(Br)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588329114 1079986304 /nfs/dbraw/zinc/98/63/04/1079986304.db2.gz YELVWHVJYOTNCL-CYBMUJFWSA-N -1 3 373.189 2.950 20 30 FFEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nnn[n-]3)c2)C1 ZINC001588332504 1079986873 /nfs/dbraw/zinc/98/68/73/1079986873.db2.gz LLWGBLLSFROFKD-CYBMUJFWSA-N -1 3 368.441 2.921 20 30 FFEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(-c3nn[n-]n3)c2)C1 ZINC001588332504 1079986877 /nfs/dbraw/zinc/98/68/77/1079986877.db2.gz LLWGBLLSFROFKD-CYBMUJFWSA-N -1 3 368.441 2.921 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC001588330162 1079987583 /nfs/dbraw/zinc/98/75/83/1079987583.db2.gz WDUNBQNMAFKUHC-OAHLLOKOSA-N -1 3 363.425 2.919 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1ccccc1 ZINC001588330162 1079987591 /nfs/dbraw/zinc/98/75/91/1079987591.db2.gz WDUNBQNMAFKUHC-OAHLLOKOSA-N -1 3 363.425 2.919 20 30 FFEDHM C#CC1(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCCC1 ZINC001588333269 1079987750 /nfs/dbraw/zinc/98/77/50/1079987750.db2.gz JPEXYSMDAYDHKP-UHFFFAOYSA-N -1 3 362.340 2.536 20 30 FFEDHM C#CC1(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCCC1 ZINC001588333269 1079987752 /nfs/dbraw/zinc/98/77/52/1079987752.db2.gz JPEXYSMDAYDHKP-UHFFFAOYSA-N -1 3 362.340 2.536 20 30 FFEDHM C#CC[C@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccccc1 ZINC001588333857 1079987764 /nfs/dbraw/zinc/98/77/64/1079987764.db2.gz GRZAONQXEBMHJM-SFHVURJKSA-N -1 3 358.405 2.657 20 30 FFEDHM C#CC[C@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccccc1 ZINC001588333857 1079987765 /nfs/dbraw/zinc/98/77/65/1079987765.db2.gz GRZAONQXEBMHJM-SFHVURJKSA-N -1 3 358.405 2.657 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1 ZINC001588335533 1079989064 /nfs/dbraw/zinc/98/90/64/1079989064.db2.gz QCMIMRBZYSFCBG-RDTXWAMCSA-N -1 3 364.453 2.689 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1 ZINC001588335533 1079989066 /nfs/dbraw/zinc/98/90/66/1079989066.db2.gz QCMIMRBZYSFCBG-RDTXWAMCSA-N -1 3 364.453 2.689 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588334330 1079989217 /nfs/dbraw/zinc/98/92/17/1079989217.db2.gz UDFHZRWMXSDCPW-OAHLLOKOSA-N -1 3 362.462 2.788 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588334330 1079989220 /nfs/dbraw/zinc/98/92/20/1079989220.db2.gz UDFHZRWMXSDCPW-OAHLLOKOSA-N -1 3 362.462 2.788 20 30 FFEDHM C#CCCCC(=O)NC1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588338027 1079990064 /nfs/dbraw/zinc/99/00/64/1079990064.db2.gz FNCYIEHORAKIRK-UHFFFAOYSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCCCC(=O)NC1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588338027 1079990072 /nfs/dbraw/zinc/99/00/72/1079990072.db2.gz FNCYIEHORAKIRK-UHFFFAOYSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCCCC(=O)N[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC001588339055 1079990126 /nfs/dbraw/zinc/99/01/26/1079990126.db2.gz UUTLVDFAVDAVMH-OAHLLOKOSA-N -1 3 372.448 2.752 20 30 FFEDHM C#CCCCC(=O)N[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC001588339055 1079990132 /nfs/dbraw/zinc/99/01/32/1079990132.db2.gz UUTLVDFAVDAVMH-OAHLLOKOSA-N -1 3 372.448 2.752 20 30 FFEDHM C#CCCCC(=O)N[C@H]1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588338594 1079990816 /nfs/dbraw/zinc/99/08/16/1079990816.db2.gz MXFOSAUHRUQZJG-KBPBESRZSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCCCC(=O)N[C@H]1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588338594 1079990820 /nfs/dbraw/zinc/99/08/20/1079990820.db2.gz MXFOSAUHRUQZJG-KBPBESRZSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588360305 1079991699 /nfs/dbraw/zinc/99/16/99/1079991699.db2.gz NNFGCEYSNWLQNJ-CYBMUJFWSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCO[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588360305 1079991707 /nfs/dbraw/zinc/99/17/07/1079991707.db2.gz NNFGCEYSNWLQNJ-CYBMUJFWSA-N -1 3 363.377 2.636 20 30 FFEDHM C#CCN(C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001588348418 1079992074 /nfs/dbraw/zinc/99/20/74/1079992074.db2.gz VGDSIGKNEIILKR-UHFFFAOYSA-N -1 3 352.442 2.653 20 30 FFEDHM C#CCN(C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001588348418 1079992078 /nfs/dbraw/zinc/99/20/78/1079992078.db2.gz VGDSIGKNEIILKR-UHFFFAOYSA-N -1 3 352.442 2.653 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588392711 1080004176 /nfs/dbraw/zinc/00/41/76/1080004176.db2.gz GXNPGDYXHUXNHT-ZIAGYGMSSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588392711 1080004185 /nfs/dbraw/zinc/00/41/85/1080004185.db2.gz GXNPGDYXHUXNHT-ZIAGYGMSSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C(C)C(C)(C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588402569 1080010966 /nfs/dbraw/zinc/01/09/66/1080010966.db2.gz IHUMYEJAURQAMB-UHFFFAOYSA-N -1 3 363.805 2.604 20 30 FFEDHM C=C(C)C(C)(C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588402569 1080010973 /nfs/dbraw/zinc/01/09/73/1080010973.db2.gz IHUMYEJAURQAMB-UHFFFAOYSA-N -1 3 363.805 2.604 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588411740 1080015895 /nfs/dbraw/zinc/01/58/95/1080015895.db2.gz IWLUDSPAMYAWPW-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588411740 1080015907 /nfs/dbraw/zinc/01/59/07/1080015907.db2.gz IWLUDSPAMYAWPW-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001588425926 1080023184 /nfs/dbraw/zinc/02/31/84/1080023184.db2.gz BEVCPDQPDIUFFG-UHFFFAOYSA-N -1 3 360.805 2.583 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001588425926 1080023194 /nfs/dbraw/zinc/02/31/94/1080023194.db2.gz BEVCPDQPDIUFFG-UHFFFAOYSA-N -1 3 360.805 2.583 20 30 FFEDHM C#CCN1CCC(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC001588432393 1080025672 /nfs/dbraw/zinc/02/56/72/1080025672.db2.gz QFIPMFYIXDCOJA-GFCCVEGCSA-N -1 3 360.479 2.855 20 30 FFEDHM C=C(C)Cn1c(CCC)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588438708 1080028849 /nfs/dbraw/zinc/02/88/49/1080028849.db2.gz YQPDMCZANJIBMX-UHFFFAOYSA-N -1 3 350.430 2.507 20 30 FFEDHM C=C(C)Cn1c(CCC)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588438708 1080028858 /nfs/dbraw/zinc/02/88/58/1080028858.db2.gz YQPDMCZANJIBMX-UHFFFAOYSA-N -1 3 350.430 2.507 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588454713 1080031986 /nfs/dbraw/zinc/03/19/86/1080031986.db2.gz GQGUTLAZWYZMAG-CHWSQXEVSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588454713 1080031995 /nfs/dbraw/zinc/03/19/95/1080031995.db2.gz GQGUTLAZWYZMAG-CHWSQXEVSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C1CCC(C(=O)N(C)CCN(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588455781 1080033311 /nfs/dbraw/zinc/03/33/11/1080033311.db2.gz CYZHHXLDONXQFU-UHFFFAOYSA-N -1 3 372.448 2.647 20 30 FFEDHM C=C1CCC(C(=O)N(C)CCN(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588455781 1080033318 /nfs/dbraw/zinc/03/33/18/1080033318.db2.gz CYZHHXLDONXQFU-UHFFFAOYSA-N -1 3 372.448 2.647 20 30 FFEDHM C=C1CCC(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)C)CC1 ZINC001588461139 1080035313 /nfs/dbraw/zinc/03/53/13/1080035313.db2.gz KLLAXRHNTFMQMJ-KRWDZBQOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CCC(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)C)CC1 ZINC001588461139 1080035321 /nfs/dbraw/zinc/03/53/21/1080035321.db2.gz KLLAXRHNTFMQMJ-KRWDZBQOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CCC(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588462163 1080036960 /nfs/dbraw/zinc/03/69/60/1080036960.db2.gz GOKKTRAEHPYOGV-UHFFFAOYSA-N -1 3 357.483 2.963 20 30 FFEDHM C=C1CCC(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588462163 1080036970 /nfs/dbraw/zinc/03/69/70/1080036970.db2.gz GOKKTRAEHPYOGV-UHFFFAOYSA-N -1 3 357.483 2.963 20 30 FFEDHM C=CC(C)(C)C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588474035 1080040760 /nfs/dbraw/zinc/04/07/60/1080040760.db2.gz BKGCGSPKEXRVLZ-UHFFFAOYSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588474035 1080040769 /nfs/dbraw/zinc/04/07/69/1080040769.db2.gz BKGCGSPKEXRVLZ-UHFFFAOYSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001588483451 1080046825 /nfs/dbraw/zinc/04/68/25/1080046825.db2.gz KOILVWPLKOCOLG-OAHLLOKOSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001588483451 1080046833 /nfs/dbraw/zinc/04/68/33/1080046833.db2.gz KOILVWPLKOCOLG-OAHLLOKOSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001588484576 1080048417 /nfs/dbraw/zinc/04/84/17/1080048417.db2.gz ICUQYJPIGWZNCN-UHFFFAOYSA-N -1 3 374.876 2.771 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001588484750 1080048659 /nfs/dbraw/zinc/04/86/59/1080048659.db2.gz LXSCGRQCFKZPCR-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001588484750 1080048669 /nfs/dbraw/zinc/04/86/69/1080048669.db2.gz LXSCGRQCFKZPCR-HNNXBMFYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001588518790 1080070223 /nfs/dbraw/zinc/07/02/23/1080070223.db2.gz LKACWQCMGRBUCQ-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001588518790 1080070227 /nfs/dbraw/zinc/07/02/27/1080070227.db2.gz LKACWQCMGRBUCQ-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588521463 1080073804 /nfs/dbraw/zinc/07/38/04/1080073804.db2.gz NTUGPESFXMQQOO-CABCVRRESA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588521463 1080073813 /nfs/dbraw/zinc/07/38/13/1080073813.db2.gz NTUGPESFXMQQOO-CABCVRRESA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588521973 1080075138 /nfs/dbraw/zinc/07/51/38/1080075138.db2.gz XFCUZAPFAGFQMV-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588521973 1080075143 /nfs/dbraw/zinc/07/51/43/1080075143.db2.gz XFCUZAPFAGFQMV-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNc1ncccc1-c1nnn[n-]1 ZINC001588531397 1080080913 /nfs/dbraw/zinc/08/09/13/1080080913.db2.gz AOTMVPWFNPBLMS-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNc1ncccc1-c1nn[n-]n1 ZINC001588531397 1080080923 /nfs/dbraw/zinc/08/09/23/1080080923.db2.gz AOTMVPWFNPBLMS-UHFFFAOYSA-N -1 3 371.489 2.761 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001588531867 1080081229 /nfs/dbraw/zinc/08/12/29/1080081229.db2.gz LDCYBWXVUGJTOV-UHFFFAOYSA-N -1 3 374.514 2.565 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001588531867 1080081235 /nfs/dbraw/zinc/08/12/35/1080081235.db2.gz LDCYBWXVUGJTOV-UHFFFAOYSA-N -1 3 374.514 2.565 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588532962 1080083443 /nfs/dbraw/zinc/08/34/43/1080083443.db2.gz KDEDYUUTPGTBOC-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588532962 1080083450 /nfs/dbraw/zinc/08/34/50/1080083450.db2.gz KDEDYUUTPGTBOC-HIFRSBDPSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CCC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CCC1 ZINC001588548837 1080090136 /nfs/dbraw/zinc/09/01/36/1080090136.db2.gz HXYTXTRYROWXQZ-ZDUSSCGKSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CCC1 ZINC001588548837 1080090147 /nfs/dbraw/zinc/09/01/47/1080090147.db2.gz HXYTXTRYROWXQZ-ZDUSSCGKSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC1(C(=O)N(CC)CCNc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001588549826 1080091103 /nfs/dbraw/zinc/09/11/03/1080091103.db2.gz ZGIFICQIEKRYKX-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCC1(C(=O)N(CC)CCNc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001588549826 1080091114 /nfs/dbraw/zinc/09/11/14/1080091114.db2.gz ZGIFICQIEKRYKX-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCC1(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CCC1 ZINC001588551866 1080092326 /nfs/dbraw/zinc/09/23/26/1080092326.db2.gz JZFBDIDSNBPSPY-MRXNPFEDSA-N -1 3 353.426 2.513 20 30 FFEDHM C=CCC1(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CCC1 ZINC001588551866 1080092333 /nfs/dbraw/zinc/09/23/33/1080092333.db2.gz JZFBDIDSNBPSPY-MRXNPFEDSA-N -1 3 353.426 2.513 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588569570 1080103204 /nfs/dbraw/zinc/10/32/04/1080103204.db2.gz CVEFCNCBBDRVDA-QWHCGFSZSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCC(=O)N[C@@H]1CC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588569570 1080103208 /nfs/dbraw/zinc/10/32/08/1080103208.db2.gz CVEFCNCBBDRVDA-QWHCGFSZSA-N -1 3 358.421 2.669 20 30 FFEDHM C=CCCCN(CC)C(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588601444 1080120252 /nfs/dbraw/zinc/12/02/52/1080120252.db2.gz MBDZNWIKCLLRSM-UHFFFAOYSA-N -1 3 354.336 2.709 20 30 FFEDHM C=CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H](C)COC ZINC001588626416 1080126066 /nfs/dbraw/zinc/12/60/66/1080126066.db2.gz ZEWWYHYACKXTFK-JTQLQIEISA-N -1 3 366.878 2.740 20 30 FFEDHM C=CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H](C)COC ZINC001588626416 1080126077 /nfs/dbraw/zinc/12/60/77/1080126077.db2.gz ZEWWYHYACKXTFK-JTQLQIEISA-N -1 3 366.878 2.740 20 30 FFEDHM C=CCCn1cc(CSCCCOc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001588625446 1080126460 /nfs/dbraw/zinc/12/64/60/1080126460.db2.gz KHKNGODAOPHMNX-UHFFFAOYSA-N -1 3 371.470 2.737 20 30 FFEDHM C=CCCn1cc(CSCCCOc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001588625446 1080126463 /nfs/dbraw/zinc/12/64/63/1080126463.db2.gz KHKNGODAOPHMNX-UHFFFAOYSA-N -1 3 371.470 2.737 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](O)CC(C)(C)C ZINC001588640308 1080132968 /nfs/dbraw/zinc/13/29/68/1080132968.db2.gz OSFXJMLAIIEHMT-MRXNPFEDSA-N -1 3 357.458 2.569 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](O)CC(C)(C)C ZINC001588640308 1080132972 /nfs/dbraw/zinc/13/29/72/1080132972.db2.gz OSFXJMLAIIEHMT-MRXNPFEDSA-N -1 3 357.458 2.569 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1ccc(O)cc1 ZINC001588640415 1080133130 /nfs/dbraw/zinc/13/31/30/1080133130.db2.gz QASCZWCVKBGYIE-UHFFFAOYSA-N -1 3 363.421 2.720 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1ccc(O)cc1 ZINC001588640415 1080133135 /nfs/dbraw/zinc/13/31/35/1080133135.db2.gz QASCZWCVKBGYIE-UHFFFAOYSA-N -1 3 363.421 2.720 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC12CCSCC2 ZINC001588639762 1080133410 /nfs/dbraw/zinc/13/34/10/1080133410.db2.gz WNOLYRSLIGOFIE-INIZCTEOSA-N -1 3 369.494 2.915 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC12CCSCC2 ZINC001588639762 1080133414 /nfs/dbraw/zinc/13/34/14/1080133414.db2.gz WNOLYRSLIGOFIE-INIZCTEOSA-N -1 3 369.494 2.915 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)cc(F)c1N ZINC001588649518 1080139174 /nfs/dbraw/zinc/13/91/74/1080139174.db2.gz QWTJBGRJIZTPGE-UHFFFAOYSA-N -1 3 370.363 2.556 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)cc(F)c1N ZINC001588649518 1080139181 /nfs/dbraw/zinc/13/91/81/1080139181.db2.gz QWTJBGRJIZTPGE-UHFFFAOYSA-N -1 3 370.363 2.556 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588653295 1080142973 /nfs/dbraw/zinc/14/29/73/1080142973.db2.gz BFNPYVSBLYQGOC-UHFFFAOYSA-N -1 3 367.384 2.599 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588653295 1080142979 /nfs/dbraw/zinc/14/29/79/1080142979.db2.gz BFNPYVSBLYQGOC-UHFFFAOYSA-N -1 3 367.384 2.599 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588694168 1080159895 /nfs/dbraw/zinc/15/98/95/1080159895.db2.gz DQBVEBUBJLTRMW-UHFFFAOYSA-N -1 3 360.370 2.502 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001588699518 1080161161 /nfs/dbraw/zinc/16/11/61/1080161161.db2.gz JZEQEMLULYJYIN-STQMWFEESA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001588699518 1080161163 /nfs/dbraw/zinc/16/11/63/1080161163.db2.gz JZEQEMLULYJYIN-STQMWFEESA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(C2CCC2)nnc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588703092 1080161744 /nfs/dbraw/zinc/16/17/44/1080161744.db2.gz JIDHSFWCZOINAD-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM C=CCn1c(C2CCC2)nnc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588703092 1080161749 /nfs/dbraw/zinc/16/17/49/1080161749.db2.gz JIDHSFWCZOINAD-UHFFFAOYSA-N -1 3 350.430 2.548 20 30 FFEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588776550 1080190535 /nfs/dbraw/zinc/19/05/35/1080190535.db2.gz RWFCTPFZHQTBBH-QMMMGPOBSA-N -1 3 363.878 2.507 20 30 FFEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588776550 1080190538 /nfs/dbraw/zinc/19/05/38/1080190538.db2.gz RWFCTPFZHQTBBH-QMMMGPOBSA-N -1 3 363.878 2.507 20 30 FFEDHM C[C@H](C#N)CN(C)c1c(-c2nnn[n-]2)cnc2c(Br)cccc21 ZINC001588931443 1080269686 /nfs/dbraw/zinc/26/96/86/1080269686.db2.gz ZIUGENAPMYWASF-SECBINFHSA-N -1 3 372.230 2.773 20 30 FFEDHM C[C@H](C#N)CN(C)c1c(-c2nn[n-]n2)cnc2c(Br)cccc21 ZINC001588931443 1080269693 /nfs/dbraw/zinc/26/96/93/1080269693.db2.gz ZIUGENAPMYWASF-SECBINFHSA-N -1 3 372.230 2.773 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588937314 1080273055 /nfs/dbraw/zinc/27/30/55/1080273055.db2.gz WMFHRJDDDGDRND-SNVBAGLBSA-N -1 3 367.344 2.941 20 30 FFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588937314 1080273065 /nfs/dbraw/zinc/27/30/65/1080273065.db2.gz WMFHRJDDDGDRND-SNVBAGLBSA-N -1 3 367.344 2.941 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@@H]1CCC(N=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001589179153 1080399112 /nfs/dbraw/zinc/39/91/12/1080399112.db2.gz XJEZNHWNXTYKDL-GFCCVEGCSA-N -1 3 371.445 2.959 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@@H]1CCC(N=Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001589179153 1080399120 /nfs/dbraw/zinc/39/91/20/1080399120.db2.gz XJEZNHWNXTYKDL-GFCCVEGCSA-N -1 3 371.445 2.959 20 30 FFEDHM CC(C)(C)c1nc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cs1 ZINC001589243696 1080442716 /nfs/dbraw/zinc/44/27/16/1080442716.db2.gz AIAWDDZMOWOAHI-UHFFFAOYSA-N -1 3 372.483 2.762 20 30 FFEDHM CC(C)(C)c1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cs1 ZINC001589243696 1080442723 /nfs/dbraw/zinc/44/27/23/1080442723.db2.gz AIAWDDZMOWOAHI-UHFFFAOYSA-N -1 3 372.483 2.762 20 30 FFEDHM CC(C)(CCC#N)CNC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589272790 1080457673 /nfs/dbraw/zinc/45/76/73/1080457673.db2.gz PMSIPUJVRPUJBM-UHFFFAOYSA-N -1 3 358.421 2.730 20 30 FFEDHM CC(C)(CCC#N)CNC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589272790 1080457675 /nfs/dbraw/zinc/45/76/75/1080457675.db2.gz PMSIPUJVRPUJBM-UHFFFAOYSA-N -1 3 358.421 2.730 20 30 FFEDHM CC(C)(CCC#N)CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC001589272039 1080457690 /nfs/dbraw/zinc/45/76/90/1080457690.db2.gz DTUCOVXYXTYKJW-UHFFFAOYSA-N -1 3 357.368 2.857 20 30 FFEDHM CC(C)(CCC#N)CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC001589272039 1080457696 /nfs/dbraw/zinc/45/76/96/1080457696.db2.gz DTUCOVXYXTYKJW-UHFFFAOYSA-N -1 3 357.368 2.857 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001589307354 1080474508 /nfs/dbraw/zinc/47/45/08/1080474508.db2.gz SYOCCIBTHOQYJC-UHFFFAOYSA-N -1 3 361.409 2.881 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589307354 1080474515 /nfs/dbraw/zinc/47/45/15/1080474515.db2.gz SYOCCIBTHOQYJC-UHFFFAOYSA-N -1 3 361.409 2.881 20 30 FFEDHM CC(C)(NC(=O)NCC1CCC(C#N)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589315551 1080478808 /nfs/dbraw/zinc/47/88/08/1080478808.db2.gz DGLWKHVUTLZPSO-UHFFFAOYSA-N -1 3 367.457 2.731 20 30 FFEDHM CC(C)(NC(=O)NCC1CCC(C#N)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589315551 1080478812 /nfs/dbraw/zinc/47/88/12/1080478812.db2.gz DGLWKHVUTLZPSO-UHFFFAOYSA-N -1 3 367.457 2.731 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC001589752988 1080704331 /nfs/dbraw/zinc/70/43/31/1080704331.db2.gz MXMPDYRMDAAUGK-ZFWWWQNUSA-N -1 3 369.429 2.810 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC001589752988 1080704337 /nfs/dbraw/zinc/70/43/37/1080704337.db2.gz MXMPDYRMDAAUGK-ZFWWWQNUSA-N -1 3 369.429 2.810 20 30 FFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589794365 1080747501 /nfs/dbraw/zinc/74/75/01/1080747501.db2.gz AMFZRRPDOODJAA-XJKSGUPXSA-N -1 3 368.441 2.707 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001590053645 1080982215 /nfs/dbraw/zinc/98/22/15/1080982215.db2.gz DFMYUHQTTYYXJT-SFHVURJKSA-N -1 3 351.414 2.902 20 30 FFEDHM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001590053645 1080982219 /nfs/dbraw/zinc/98/22/19/1080982219.db2.gz DFMYUHQTTYYXJT-SFHVURJKSA-N -1 3 351.414 2.902 20 30 FFEDHM CC1(C)CCC[C@H]1CCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590095551 1081007775 /nfs/dbraw/zinc/00/77/75/1081007775.db2.gz LQLLFKKGRYLEIT-IRXDYDNUSA-N -1 3 366.469 2.882 20 30 FFEDHM C[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC001590285965 1081139812 /nfs/dbraw/zinc/13/98/12/1081139812.db2.gz XEVTVJDZKOMMMS-CZUORRHYSA-N -1 3 358.405 2.699 20 30 FFEDHM C[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001590285965 1081139815 /nfs/dbraw/zinc/13/98/15/1081139815.db2.gz XEVTVJDZKOMMMS-CZUORRHYSA-N -1 3 358.405 2.699 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000015661256 211135393 /nfs/dbraw/zinc/13/53/93/211135393.db2.gz LAKRVRYQENHJSA-UHFFFAOYSA-N -1 3 354.366 2.651 20 30 FFEDHM C[C@H](CON=C([O-])Nc1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000290266543 257322823 /nfs/dbraw/zinc/32/28/23/257322823.db2.gz VSIXLJWEVUZJLR-SNVBAGLBSA-N -1 3 352.366 2.664 20 30 FFEDHM C[C@H](CO[N-]C(=O)Nc1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000290266543 257322824 /nfs/dbraw/zinc/32/28/24/257322824.db2.gz VSIXLJWEVUZJLR-SNVBAGLBSA-N -1 3 352.366 2.664 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c1 ZINC000291026924 257374809 /nfs/dbraw/zinc/37/48/09/257374809.db2.gz YIGLDRPCTRTNOL-UHFFFAOYSA-N -1 3 356.451 2.740 20 30 FFEDHM Cc1cncn1C1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000330012155 258152881 /nfs/dbraw/zinc/15/28/81/258152881.db2.gz KDAWRQDENSRDRA-UHFFFAOYSA-N -1 3 367.453 2.577 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000330688988 258168398 /nfs/dbraw/zinc/16/83/98/258168398.db2.gz VMAMLWGHOMUFOY-LLVKDONJSA-N -1 3 373.272 2.558 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000331083484 258176925 /nfs/dbraw/zinc/17/69/25/258176925.db2.gz YVVLNJABOOUCQT-ZFWWWQNUSA-N -1 3 356.875 2.821 20 30 FFEDHM CCCc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)[nH]c(C)c1C(=O)OC ZINC000053528394 506399558 /nfs/dbraw/zinc/39/95/58/506399558.db2.gz NCCIKPZBUQXTGE-UHFFFAOYSA-N -1 3 368.397 2.879 20 30 FFEDHM CCCc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)[nH]c(C)c1C(=O)OC ZINC000053528394 506399563 /nfs/dbraw/zinc/39/95/63/506399563.db2.gz NCCIKPZBUQXTGE-UHFFFAOYSA-N -1 3 368.397 2.879 20 30 FFEDHM CCCc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)[nH]c(C)c1C(=O)OC ZINC000053528394 506399566 /nfs/dbraw/zinc/39/95/66/506399566.db2.gz NCCIKPZBUQXTGE-UHFFFAOYSA-N -1 3 368.397 2.879 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)C[C@@H](C)C#N)nc(=O)c2c1C ZINC000066470175 506528026 /nfs/dbraw/zinc/52/80/26/506528026.db2.gz ZEKNQNXSFDJCKQ-ONGXEEELSA-N -1 3 362.455 2.622 20 30 FFEDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000042166979 506605207 /nfs/dbraw/zinc/60/52/07/506605207.db2.gz RCWDHZPILYLXLZ-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000017156094 507117367 /nfs/dbraw/zinc/11/73/67/507117367.db2.gz YJNQEEUUMQWHGE-AWEZNQCLSA-N -1 3 351.450 2.934 20 30 FFEDHM Cc1cc(N(C)C)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000046674473 507171745 /nfs/dbraw/zinc/17/17/45/507171745.db2.gz SYGXWBGQFOOOPP-UHFFFAOYSA-N -1 3 352.438 2.809 20 30 FFEDHM N#Cc1cccc([C@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)CCO2)c1 ZINC000367128469 512351171 /nfs/dbraw/zinc/35/11/71/512351171.db2.gz BIGLCAWKJWOHBU-GOSISDBHSA-N -1 3 355.369 2.686 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000063251339 507704674 /nfs/dbraw/zinc/70/46/74/507704674.db2.gz MDCNYZVRTTWWGK-UHFFFAOYSA-N -1 3 369.446 2.758 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000063320463 507718950 /nfs/dbraw/zinc/71/89/50/507718950.db2.gz DWTIEZLUIDFJCC-UHFFFAOYSA-N -1 3 360.373 2.662 20 30 FFEDHM O=C(CCCNC(=O)NC1CCCCC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389791 507776347 /nfs/dbraw/zinc/77/63/47/507776347.db2.gz OULRRIPUKMXSTH-UHFFFAOYSA-N -1 3 362.356 2.824 20 30 FFEDHM O=C(CCCNC(=O)NC1CCCCC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389791 507776351 /nfs/dbraw/zinc/77/63/51/507776351.db2.gz OULRRIPUKMXSTH-UHFFFAOYSA-N -1 3 362.356 2.824 20 30 FFEDHM COc1ccc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000078441814 507871627 /nfs/dbraw/zinc/87/16/27/507871627.db2.gz WRHHVYKWFDLUAM-LBPRGKRZSA-N -1 3 371.412 2.821 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)Cc1cccc(C(=O)OC)c1 ZINC000091052815 507947504 /nfs/dbraw/zinc/94/75/04/507947504.db2.gz GCSJOUOLMCDGMK-UHFFFAOYSA-N -1 3 352.456 2.755 20 30 FFEDHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(C#N)c(Cl)c1 ZINC000091206231 507967637 /nfs/dbraw/zinc/96/76/37/507967637.db2.gz XOBNCUUFKMMCKI-UHFFFAOYSA-N -1 3 358.829 2.898 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000079846641 508006674 /nfs/dbraw/zinc/00/66/74/508006674.db2.gz MYJQBMIAEAABPC-SNVBAGLBSA-N -1 3 351.653 2.929 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCOC2)cc1 ZINC000076937905 508264599 /nfs/dbraw/zinc/26/45/99/508264599.db2.gz WPAJPCILMWLSHT-KRWDZBQOSA-N -1 3 358.419 2.835 20 30 FFEDHM Cc1cccnc1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000104753300 508345275 /nfs/dbraw/zinc/34/52/75/508345275.db2.gz XWQKQQHKDAJITO-UHFFFAOYSA-N -1 3 355.341 2.759 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000127253321 508421705 /nfs/dbraw/zinc/42/17/05/508421705.db2.gz KSCMSZCAGNNHPT-UHFFFAOYSA-N -1 3 367.224 2.505 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c1 ZINC000127818106 508504742 /nfs/dbraw/zinc/50/47/42/508504742.db2.gz OMRDVVPGDJPCDS-UHFFFAOYSA-N -1 3 373.478 2.778 20 30 FFEDHM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000122336897 508519598 /nfs/dbraw/zinc/51/95/98/508519598.db2.gz YHLJRWFWFVSALO-INIZCTEOSA-N -1 3 365.437 2.634 20 30 FFEDHM CCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1CC(C)C ZINC000157167393 508532355 /nfs/dbraw/zinc/53/23/55/508532355.db2.gz UVRZWRKXLRTDLR-UHFFFAOYSA-N -1 3 369.469 2.850 20 30 FFEDHM Cc1cccc([C@H](C/N=C/c2ccc(O)c([O-])c2O)N2CCOCC2)c1 ZINC000122564666 508554659 /nfs/dbraw/zinc/55/46/59/508554659.db2.gz UXJBXFZSGIMSNG-RHLNUJDMSA-N -1 3 356.422 2.604 20 30 FFEDHM N#CCC1(CS(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000451504315 513794053 /nfs/dbraw/zinc/79/40/53/513794053.db2.gz RKTDQWJQJXSCLI-GFCCVEGCSA-N -1 3 363.266 2.640 20 30 FFEDHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000122962008 508615437 /nfs/dbraw/zinc/61/54/37/508615437.db2.gz OHZCGRHJGCGOLO-UHFFFAOYSA-N -1 3 355.872 2.752 20 30 FFEDHM N#CCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000129444997 508727676 /nfs/dbraw/zinc/72/76/76/508727676.db2.gz CBFASMQSVFPNSA-OAHLLOKOSA-N -1 3 370.390 2.790 20 30 FFEDHM Cc1cccc([C@@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000119204167 508747619 /nfs/dbraw/zinc/74/76/19/508747619.db2.gz PIOHUXKVXHLMCZ-IBGZPJMESA-N -1 3 364.449 2.863 20 30 FFEDHM C=CCOc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000119366845 508782008 /nfs/dbraw/zinc/78/20/08/508782008.db2.gz GIGMMSVJJWJWMY-UHFFFAOYSA-N -1 3 352.434 2.915 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCc1nccs1)C(C)C ZINC000132515756 509039512 /nfs/dbraw/zinc/03/95/12/509039512.db2.gz SDTPUOGFBLAFLZ-UHFFFAOYSA-N -1 3 372.494 2.732 20 30 FFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1cccs1 ZINC000156322844 509159902 /nfs/dbraw/zinc/15/99/02/509159902.db2.gz QYQROXBRJQQVBB-ZDUSSCGKSA-N -1 3 364.448 2.511 20 30 FFEDHM N#Cc1cccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1 ZINC000121569436 509178684 /nfs/dbraw/zinc/17/86/84/509178684.db2.gz JFTJFBMQFSXFEZ-UHFFFAOYSA-N -1 3 361.370 2.653 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000172745038 509207648 /nfs/dbraw/zinc/20/76/48/509207648.db2.gz QKHUMGFDNBYYNL-GFCCVEGCSA-N -1 3 371.412 2.519 20 30 FFEDHM C=CCNc1ncc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)s1 ZINC000162461238 509229159 /nfs/dbraw/zinc/22/91/59/509229159.db2.gz SPCZIOIGLCAQFM-UHFFFAOYSA-N -1 3 357.395 2.656 20 30 FFEDHM C=CCNc1ncc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)s1 ZINC000162461238 509229161 /nfs/dbraw/zinc/22/91/61/509229161.db2.gz SPCZIOIGLCAQFM-UHFFFAOYSA-N -1 3 357.395 2.656 20 30 FFEDHM C=C1CCN(C(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3CCC)CC1 ZINC000264151176 509353772 /nfs/dbraw/zinc/35/37/72/509353772.db2.gz IOTFOBQIYPDCIW-UHFFFAOYSA-N -1 3 370.453 2.823 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163682068 509410122 /nfs/dbraw/zinc/41/01/22/509410122.db2.gz ZIAHSNPSWSLHTH-UHFFFAOYSA-N -1 3 357.385 2.761 20 30 FFEDHM N#Cc1cccc(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000186179579 509562468 /nfs/dbraw/zinc/56/24/68/509562468.db2.gz NQPNDKAUXAMBGW-UHFFFAOYSA-N -1 3 364.430 2.635 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCCCC1 ZINC000186262476 509609742 /nfs/dbraw/zinc/60/97/42/509609742.db2.gz WRMYXRZLLMOPPQ-UHFFFAOYSA-N -1 3 355.891 2.754 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000167303311 509630501 /nfs/dbraw/zinc/63/05/01/509630501.db2.gz RMMQCBXZUAWZGT-LYRGGWFBSA-N -1 3 366.870 2.838 20 30 FFEDHM C[C@]1(c2cccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2)NC(=O)[N-]C1=O ZINC000183175604 509642084 /nfs/dbraw/zinc/64/20/84/509642084.db2.gz JCUHSEODWWBHAM-HXUWFJFHSA-N -1 3 374.400 2.549 20 30 FFEDHM Cc1cccc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)c1[N+](=O)[O-] ZINC000192826920 509660536 /nfs/dbraw/zinc/66/05/36/509660536.db2.gz BFXYPKZXNUBYPQ-UHFFFAOYSA-N -1 3 362.349 2.667 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000189658399 509686713 /nfs/dbraw/zinc/68/67/13/509686713.db2.gz MSRMHPZKKLXNRW-FQEVSTJZSA-N -1 3 360.454 2.798 20 30 FFEDHM C=CCC(CC=C)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000176909389 509759874 /nfs/dbraw/zinc/75/98/74/509759874.db2.gz XJDFONRLYKFTHB-UHFFFAOYSA-N -1 3 368.524 2.786 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCn2cnc3ccccc32)c(Cl)c1 ZINC000183421761 509779510 /nfs/dbraw/zinc/77/95/10/509779510.db2.gz BPALPNMOCYBWCB-UHFFFAOYSA-N -1 3 374.853 2.930 20 30 FFEDHM C=CCSc1ccccc1NC(=O)CSc1n[n-]c(COC)n1 ZINC000268452561 509938292 /nfs/dbraw/zinc/93/82/92/509938292.db2.gz BGDVNBWRRFNABG-UHFFFAOYSA-N -1 3 350.469 2.960 20 30 FFEDHM COCc1nc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n[n-]1 ZINC000268462709 509947164 /nfs/dbraw/zinc/94/71/64/509947164.db2.gz DKCNLWKJWQZCQK-UHFFFAOYSA-N -1 3 365.846 2.643 20 30 FFEDHM Cc1cccc2c1OCC[C@H]2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000190133678 509957878 /nfs/dbraw/zinc/95/78/78/509957878.db2.gz ARHYIXNUAYKXFJ-GOSISDBHSA-N -1 3 365.433 2.744 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)c1 ZINC000193708365 510030339 /nfs/dbraw/zinc/03/03/39/510030339.db2.gz BSCBAJKXNSWKCJ-UHFFFAOYSA-N -1 3 374.809 2.740 20 30 FFEDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(C#N)cc1 ZINC000177742316 510228564 /nfs/dbraw/zinc/22/85/64/510228564.db2.gz UIGTXUDWCNONBD-SFHVURJKSA-N -1 3 374.824 2.626 20 30 FFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)cc1F ZINC000181291149 510341249 /nfs/dbraw/zinc/34/12/49/510341249.db2.gz BJGWSIZFJUCIAJ-SSDOTTSWSA-N -1 3 360.242 2.664 20 30 FFEDHM C=CC1CCN(C(=O)C(=O)[N-]c2scc(C)c2C(=O)OCC)CC1 ZINC000174856704 510346161 /nfs/dbraw/zinc/34/61/61/510346161.db2.gz CZAQKHVOIKYJBZ-UHFFFAOYSA-N -1 3 350.440 2.596 20 30 FFEDHM N#C[C@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CCO1 ZINC000269402301 510386963 /nfs/dbraw/zinc/38/69/63/510386963.db2.gz DCXAANPARGMGKR-ZDUSSCGKSA-N -1 3 352.419 2.788 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C2CCN([C@@H](C)c3ccncc3)CC2)c1[O-] ZINC000269576588 510468960 /nfs/dbraw/zinc/46/89/60/510468960.db2.gz CSVSAOGYFVYNMN-GIEPYWIESA-N -1 3 354.454 2.627 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)(F)F)C1CCC1 ZINC000175072875 510470124 /nfs/dbraw/zinc/47/01/24/510470124.db2.gz ZICAAGVKSXWLEQ-UHFFFAOYSA-N -1 3 355.360 2.739 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246439578 510489698 /nfs/dbraw/zinc/48/96/98/510489698.db2.gz IREXMMOUZGAGLQ-NUEKZKHPSA-N -1 3 366.870 2.838 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(CC2(C)COC2)nn1 ZINC000184790702 510518796 /nfs/dbraw/zinc/51/87/96/510518796.db2.gz CPKOICDKPYFGRS-ZDUSSCGKSA-N -1 3 371.466 2.961 20 30 FFEDHM COc1cccc(-c2noc([C@H](C)/N=C/c3c([O-])c(C)ncc3CO)n2)c1 ZINC000266328309 510519276 /nfs/dbraw/zinc/51/92/76/510519276.db2.gz JLRVKLGRTIBNME-NLTBIBMSSA-N -1 3 368.393 2.827 20 30 FFEDHM CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000191161246 510528723 /nfs/dbraw/zinc/52/87/23/510528723.db2.gz BPVGUNLWHWEGMS-UHFFFAOYSA-N -1 3 359.376 2.746 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(COc2cccc(F)c2)no1 ZINC000188114019 510601101 /nfs/dbraw/zinc/60/11/01/510601101.db2.gz LKLMULZVRVWGAN-UHFFFAOYSA-N -1 3 368.368 2.750 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@H](C)c1nccs1 ZINC000184979965 510614937 /nfs/dbraw/zinc/61/49/37/510614937.db2.gz HWZXFUHWTJWLQT-NSHDSACASA-N -1 3 358.467 2.515 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000175709109 510747229 /nfs/dbraw/zinc/74/72/29/510747229.db2.gz HMFDDKCCJRKYSL-ZDUSSCGKSA-N -1 3 368.418 2.572 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000195418144 510819176 /nfs/dbraw/zinc/81/91/76/510819176.db2.gz CIAIHMAGGDQNSF-UHFFFAOYSA-N -1 3 354.266 2.786 20 30 FFEDHM CC[C@H]1OCCC[C@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000330285153 510958221 /nfs/dbraw/zinc/95/82/21/510958221.db2.gz YLCGKTROJQSNLJ-CZUORRHYSA-N -1 3 368.455 2.725 20 30 FFEDHM C=CC[C@@H]1N(C(=O)C[N-]S(=O)(=O)c2cccs2)CCCC1(C)C ZINC000330898739 511027585 /nfs/dbraw/zinc/02/75/85/511027585.db2.gz IPJIWYVRPCFMIW-ZDUSSCGKSA-N -1 3 356.513 2.620 20 30 FFEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1 ZINC000290729895 511150364 /nfs/dbraw/zinc/15/03/64/511150364.db2.gz YFOBIUMEUYYQKG-UHFFFAOYSA-N -1 3 373.438 2.563 20 30 FFEDHM CCNC(=O)c1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000298470901 511294975 /nfs/dbraw/zinc/29/49/75/511294975.db2.gz ZYJSBGIOGGVZOV-UHFFFAOYSA-N -1 3 366.421 2.597 20 30 FFEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCCC#N ZINC000273593792 511545571 /nfs/dbraw/zinc/54/55/71/511545571.db2.gz QOSSRNKLMXJFBZ-UHFFFAOYSA-N -1 3 367.652 2.693 20 30 FFEDHM O=C(Nc1cccc(C/N=C/c2ccc(O)c([O-])c2O)c1)[C@H]1CCCO1 ZINC000299212230 511553690 /nfs/dbraw/zinc/55/36/90/511553690.db2.gz JURNFWYHKSGWER-MBTVCVBTSA-N -1 3 356.378 2.540 20 30 FFEDHM CCS(=O)(=O)c1ccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000284096564 511603653 /nfs/dbraw/zinc/60/36/53/511603653.db2.gz VWFJREUXQSCCJO-QDBSGRMGSA-N -1 3 362.451 2.562 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000299628882 511665559 /nfs/dbraw/zinc/66/55/59/511665559.db2.gz KUFPFNLFJIWPFM-DGURAOSJSA-N -1 3 363.458 2.654 20 30 FFEDHM COCCOCCOCCC/N=C/c1cc(Br)ccc1[O-] ZINC000274515565 511861054 /nfs/dbraw/zinc/86/10/54/511861054.db2.gz WEFVRPUOGOURLX-SFQUDFHCSA-N -1 3 360.248 2.643 20 30 FFEDHM N#CCN1CCC[C@H](CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000275253878 512088187 /nfs/dbraw/zinc/08/81/87/512088187.db2.gz ZSYWAUORVOLFGH-LLVKDONJSA-N -1 3 363.874 2.757 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000377862696 512487799 /nfs/dbraw/zinc/48/77/99/512487799.db2.gz ZRJIGSOQBKZJRX-QGTPRVQTSA-N -1 3 357.454 2.528 20 30 FFEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000369947322 512695187 /nfs/dbraw/zinc/69/51/87/512695187.db2.gz GCVRBNBEQNGTHH-DZGCQCFKSA-N -1 3 364.496 2.548 20 30 FFEDHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)c(=O)c2c1 ZINC000376475178 512834068 /nfs/dbraw/zinc/83/40/68/512834068.db2.gz QKXOZGAXFIIBNK-WIYYLYMNSA-N -1 3 365.433 2.904 20 30 FFEDHM CC[C@H](CS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1)OC ZINC000421241455 513173617 /nfs/dbraw/zinc/17/36/17/513173617.db2.gz XMPUWDXDWNUURM-OLZOCXBDSA-N -1 3 350.362 2.614 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-n4cncn4)cc3C)nc1-2 ZINC000429577018 513415791 /nfs/dbraw/zinc/41/57/91/513415791.db2.gz ZVVYHIVXVLYFLW-OAHLLOKOSA-N -1 3 357.377 2.646 20 30 FFEDHM Cn1[n-]c(=NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1OC(F)F ZINC000429644064 513431199 /nfs/dbraw/zinc/43/11/99/513431199.db2.gz MIQOESVBQAMITJ-UHFFFAOYSA-N -1 3 373.363 2.636 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)CCCC1 ZINC000451063588 513491327 /nfs/dbraw/zinc/49/13/27/513491327.db2.gz MSAVAXLUHDOLGU-UHFFFAOYSA-N -1 3 370.858 2.881 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)F ZINC000451078407 513502513 /nfs/dbraw/zinc/50/25/13/513502513.db2.gz FERTZWWFRVXHKO-JTQLQIEISA-N -1 3 353.188 2.643 20 30 FFEDHM CCn1c(CC[N-]S(=O)(=O)c2ccc(C#N)s2)nc2ccccc21 ZINC000435427846 513581693 /nfs/dbraw/zinc/58/16/93/513581693.db2.gz NQTXLPIXNNGLPO-UHFFFAOYSA-N -1 3 360.464 2.510 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432138 513583897 /nfs/dbraw/zinc/58/38/97/513583897.db2.gz HPZVTJHRZIZNAC-BMIGLBTASA-N -1 3 354.428 2.813 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-][C@H](Cc1cccc2ccccc21)C(=O)OCC ZINC000435436412 513587223 /nfs/dbraw/zinc/58/72/23/513587223.db2.gz FXISATGXFXBVLF-GOSISDBHSA-N -1 3 361.463 2.810 20 30 FFEDHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435444745 513592948 /nfs/dbraw/zinc/59/29/48/513592948.db2.gz SLDFEFBOPPSBHW-UHFFFAOYSA-N -1 3 350.465 2.928 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000435581793 513624124 /nfs/dbraw/zinc/62/41/24/513624124.db2.gz XQRRWRLWLIHZGT-HZMBPMFUSA-N -1 3 360.819 2.508 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000435602651 513632629 /nfs/dbraw/zinc/63/26/29/513632629.db2.gz DTYLZSRUXPMUAT-GXFFZTMASA-N -1 3 351.790 2.580 20 30 FFEDHM CC(C)CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000435650407 513647905 /nfs/dbraw/zinc/64/79/05/513647905.db2.gz GZFZAMVXARDEIJ-GDBMZVCRSA-N -1 3 351.472 2.605 20 30 FFEDHM CC[C@@]1(C[N-]S(=O)(=O)CC(C)(C)CC#N)OCCc2ccccc21 ZINC000451571677 513840974 /nfs/dbraw/zinc/84/09/74/513840974.db2.gz WLPRVTKVRRFABB-SFHVURJKSA-N -1 3 350.484 2.724 20 30 FFEDHM C=CCN1CC[C@H](N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1=O ZINC000436483984 513870019 /nfs/dbraw/zinc/87/00/19/513870019.db2.gz CXDMIYDGDRGGEY-IBGZPJMESA-N -1 3 364.445 2.842 20 30 FFEDHM C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443128565 513882004 /nfs/dbraw/zinc/88/20/04/513882004.db2.gz LVGUPJRBZQVPOI-CHWSQXEVSA-N -1 3 351.428 2.961 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000443218151 513903670 /nfs/dbraw/zinc/90/36/70/513903670.db2.gz FPXGSHUVIAGUCR-UHFFFAOYSA-N -1 3 371.178 2.942 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F ZINC000443266182 513914628 /nfs/dbraw/zinc/91/46/28/513914628.db2.gz NDZBTSYRLSGFBY-ZDUSSCGKSA-N -1 3 372.780 2.502 20 30 FFEDHM CSCC1CCC([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000451709936 513929735 /nfs/dbraw/zinc/92/97/35/513929735.db2.gz PPFRIMYBEHNBEX-UHFFFAOYSA-N -1 3 369.468 2.667 20 30 FFEDHM CC(C)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c([O-])c1 ZINC000436985249 514063266 /nfs/dbraw/zinc/06/32/66/514063266.db2.gz NXNWCIMLQHHIFZ-UHFFFAOYSA-N -1 3 350.422 2.745 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000451910375 514063390 /nfs/dbraw/zinc/06/33/90/514063390.db2.gz NDRCOPXCBDLUEL-NEPJUHHUSA-N -1 3 364.236 2.600 20 30 FFEDHM C=CCOC[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)OC ZINC000436994389 514068317 /nfs/dbraw/zinc/06/83/17/514068317.db2.gz MLJIATFNBBLIFZ-KRWDZBQOSA-N -1 3 371.389 2.659 20 30 FFEDHM C=CCC1(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CCCC1 ZINC000451954270 514091630 /nfs/dbraw/zinc/09/16/30/514091630.db2.gz WZZXYRLFZVQSON-UHFFFAOYSA-N -1 3 357.497 2.505 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OCC ZINC000452019137 514139505 /nfs/dbraw/zinc/13/95/05/514139505.db2.gz QZYOTRGFELYBMI-LBPRGKRZSA-N -1 3 365.373 2.882 20 30 FFEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000437945936 514274982 /nfs/dbraw/zinc/27/49/82/514274982.db2.gz GXWCHDKJTNPRQH-UHFFFAOYSA-N -1 3 359.794 2.854 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000428262805 514435816 /nfs/dbraw/zinc/43/58/16/514435816.db2.gz UQLZTEXRVZNDTA-SNVBAGLBSA-N -1 3 371.340 2.891 20 30 FFEDHM CC#CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000466603845 514706176 /nfs/dbraw/zinc/70/61/76/514706176.db2.gz GVXUQVZQKWQUPD-UHFFFAOYSA-N -1 3 362.373 2.659 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@H](C)N(CC)CCC#N)nc(=O)c2c1C ZINC000471177876 514785034 /nfs/dbraw/zinc/78/50/34/514785034.db2.gz SHMUQTZPBCGPAC-NSHDSACASA-N -1 3 362.455 2.766 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OC ZINC000498208620 514806799 /nfs/dbraw/zinc/80/67/99/514806799.db2.gz CSXQKUSHDKHKNY-UHFFFAOYSA-N -1 3 372.446 2.996 20 30 FFEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000480087702 514837582 /nfs/dbraw/zinc/83/75/82/514837582.db2.gz YDUDQRRNDJTRHR-CHWSQXEVSA-N -1 3 357.439 2.886 20 30 FFEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000480112123 514845287 /nfs/dbraw/zinc/84/52/87/514845287.db2.gz UCJXARIUAWTZRL-STQMWFEESA-N -1 3 357.439 2.744 20 30 FFEDHM C=CCCCS(=O)(=O)[N-][C@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC000489651979 514928351 /nfs/dbraw/zinc/92/83/51/514928351.db2.gz GIDJYYKNISFYEY-SJLPKXTDSA-N -1 3 365.495 2.924 20 30 FFEDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476304824 514991737 /nfs/dbraw/zinc/99/17/37/514991737.db2.gz IFCAXGJLIVACNB-KRWDZBQOSA-N -1 3 350.484 2.638 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000476339715 515010127 /nfs/dbraw/zinc/01/01/27/515010127.db2.gz OCMKSTOKRZENKI-INIZCTEOSA-N -1 3 354.447 2.907 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c(Cl)c1 ZINC000503495388 515054169 /nfs/dbraw/zinc/05/41/69/515054169.db2.gz YOIWDHDRHAYFQI-UHFFFAOYSA-N -1 3 350.827 2.828 20 30 FFEDHM C=CCC1(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CCCCC1 ZINC000456366362 515133598 /nfs/dbraw/zinc/13/35/98/515133598.db2.gz MINAJPPCBUAEJJ-LJQANCHMSA-N -1 3 355.438 2.750 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(Br)cc1 ZINC000504002611 515194187 /nfs/dbraw/zinc/19/41/87/515194187.db2.gz AWFDCLIIQMTCNR-CYBMUJFWSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(Br)cc1 ZINC000504002611 515194198 /nfs/dbraw/zinc/19/41/98/515194198.db2.gz AWFDCLIIQMTCNR-CYBMUJFWSA-N -1 3 374.173 2.854 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Br)cc1 ZINC000504002611 515194206 /nfs/dbraw/zinc/19/42/06/515194206.db2.gz AWFDCLIIQMTCNR-CYBMUJFWSA-N -1 3 374.173 2.854 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000499262064 515259286 /nfs/dbraw/zinc/25/92/86/515259286.db2.gz FXESTUBBJHZDRN-UHFFFAOYSA-N -1 3 370.434 2.588 20 30 FFEDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000490623148 515265366 /nfs/dbraw/zinc/26/53/66/515265366.db2.gz DWTVHFDUARYRHJ-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM C[C@@]1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCc2ccccc21 ZINC000509944517 515379386 /nfs/dbraw/zinc/37/93/86/515379386.db2.gz LZRRQFBBZWQERO-GOSISDBHSA-N -1 3 371.418 2.996 20 30 FFEDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(C(F)(F)F)ccc1F ZINC000482230142 515618873 /nfs/dbraw/zinc/61/88/73/515618873.db2.gz QLSRLWFOHGBBMR-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(C(F)(F)F)ccc1F ZINC000482230142 515618880 /nfs/dbraw/zinc/61/88/80/515618880.db2.gz QLSRLWFOHGBBMR-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(C(F)(F)F)ccc1F ZINC000482230142 515618889 /nfs/dbraw/zinc/61/88/89/515618889.db2.gz QLSRLWFOHGBBMR-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(-c2ncc[nH]2)c1 ZINC000463869604 515648419 /nfs/dbraw/zinc/64/84/19/515648419.db2.gz JUZMLKTZDPPXMG-UHFFFAOYSA-N -1 3 356.382 2.566 20 30 FFEDHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)nn1-c1cccc(C#N)c1 ZINC000505748560 515654283 /nfs/dbraw/zinc/65/42/83/515654283.db2.gz XZYNXUGWNLTVIB-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)nn1-c1cccc(C#N)c1 ZINC000505748560 515654294 /nfs/dbraw/zinc/65/42/94/515654294.db2.gz XZYNXUGWNLTVIB-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nn1-c1cccc(C#N)c1 ZINC000505748560 515654307 /nfs/dbraw/zinc/65/43/07/515654307.db2.gz XZYNXUGWNLTVIB-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM Cc1ccn(C2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)n1 ZINC000469201100 515718554 /nfs/dbraw/zinc/71/85/54/515718554.db2.gz YQPZMDROQQJFEG-UHFFFAOYSA-N -1 3 367.453 2.577 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)[n-]c21 ZINC000494122087 515739705 /nfs/dbraw/zinc/73/97/05/515739705.db2.gz YAYZGRKERFIWER-LLVKDONJSA-N -1 3 364.361 2.627 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)nc21 ZINC000494122087 515739713 /nfs/dbraw/zinc/73/97/13/515739713.db2.gz YAYZGRKERFIWER-LLVKDONJSA-N -1 3 364.361 2.627 20 30 FFEDHM N#Cc1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1F ZINC000478355754 515792221 /nfs/dbraw/zinc/79/22/21/515792221.db2.gz PRARHFLYZUTNJN-XMMPIXPASA-N -1 3 359.304 2.661 20 30 FFEDHM C=CCC(CC=C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511934022 516083996 /nfs/dbraw/zinc/08/39/96/516083996.db2.gz IAYSSSPNFCMPSG-UHFFFAOYSA-N -1 3 374.865 2.642 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(CC#N)cc1)c2=O ZINC000539974794 516383770 /nfs/dbraw/zinc/38/37/70/516383770.db2.gz VBFXHJJUPSVQGI-UHFFFAOYSA-N -1 3 351.337 2.994 20 30 FFEDHM Cc1cccc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)c1F ZINC000528555960 516527956 /nfs/dbraw/zinc/52/79/56/516527956.db2.gz UGBRHRHKDGLPGF-UHFFFAOYSA-N -1 3 374.437 2.990 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000558075588 516582501 /nfs/dbraw/zinc/58/25/01/516582501.db2.gz IYGUDYSLEYOKLR-ZDUSSCGKSA-N -1 3 368.418 2.789 20 30 FFEDHM Cc1nc(COc2cccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2)no1 ZINC000536205914 516675763 /nfs/dbraw/zinc/67/57/63/516675763.db2.gz YNJDGEROWHOVQS-MRXNPFEDSA-N -1 3 363.377 2.854 20 30 FFEDHM Cc1ccc([O-])c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)n1 ZINC000544325676 516702443 /nfs/dbraw/zinc/70/24/43/516702443.db2.gz WLLZWPXIICCLOG-UHFFFAOYSA-N -1 3 352.394 2.761 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000544349941 516716801 /nfs/dbraw/zinc/71/68/01/516716801.db2.gz AIZFOWUTBYHGNG-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000548129263 516784212 /nfs/dbraw/zinc/78/42/12/516784212.db2.gz IBVGLMCASMDVPS-HNNXBMFYSA-N -1 3 370.858 2.612 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)CCCCC1 ZINC000544599996 516830549 /nfs/dbraw/zinc/83/05/49/516830549.db2.gz VJLXBBKGIABAHS-CQSZACIVSA-N -1 3 374.865 2.906 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CCCO)c1 ZINC000541059891 516851767 /nfs/dbraw/zinc/85/17/67/516851767.db2.gz LYEMCQNJPMTJKT-UHFFFAOYSA-N -1 3 353.422 2.772 20 30 FFEDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000548368583 516940417 /nfs/dbraw/zinc/94/04/17/516940417.db2.gz AODMXCZCQPOGKJ-UHFFFAOYSA-N -1 3 363.414 2.568 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(NC(=O)C2CC2)c1 ZINC000552040407 517046351 /nfs/dbraw/zinc/04/63/51/517046351.db2.gz GEJVOLIZHZIKCP-CQSZACIVSA-N -1 3 359.389 2.807 20 30 FFEDHM N#CC1(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000537225461 517096905 /nfs/dbraw/zinc/09/69/05/517096905.db2.gz SGZCQALGRSBAEG-UHFFFAOYSA-N -1 3 366.602 2.730 20 30 FFEDHM N#CC1(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CC1 ZINC000537225461 517096919 /nfs/dbraw/zinc/09/69/19/517096919.db2.gz SGZCQALGRSBAEG-UHFFFAOYSA-N -1 3 366.602 2.730 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(F)cc1F ZINC000514893603 517111138 /nfs/dbraw/zinc/11/11/38/517111138.db2.gz OBPJIOVZCYDPQQ-INIZCTEOSA-N -1 3 351.378 2.907 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c(Br)ccc2ccccc21 ZINC000529428262 517144308 /nfs/dbraw/zinc/14/43/08/517144308.db2.gz MFMCUVZYCNAIQO-CYBMUJFWSA-N -1 3 363.211 2.712 20 30 FFEDHM N#Cc1ccccc1OC1CCC(NC(=O)c2cccc3nn[n-]c32)CC1 ZINC000525864777 517207273 /nfs/dbraw/zinc/20/72/73/517207273.db2.gz WDJOQPVRRHTZQS-UHFFFAOYSA-N -1 3 361.405 2.950 20 30 FFEDHM N#Cc1ccccc1OC1CCC(NC(=O)c2cccc3[n-]nnc32)CC1 ZINC000525864777 517207280 /nfs/dbraw/zinc/20/72/80/517207280.db2.gz WDJOQPVRRHTZQS-UHFFFAOYSA-N -1 3 361.405 2.950 20 30 FFEDHM N#Cc1ccccc1OC1CCC(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC000525864777 517207290 /nfs/dbraw/zinc/20/72/90/517207290.db2.gz WDJOQPVRRHTZQS-UHFFFAOYSA-N -1 3 361.405 2.950 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ncccc3C)no2)ccc1F ZINC000545609162 517310279 /nfs/dbraw/zinc/31/02/79/517310279.db2.gz SGHUIGJEHRZZBQ-UHFFFAOYSA-N -1 3 374.397 2.710 20 30 FFEDHM Cc1ccc2c(CN3CCN(c4ncccc4C#N)CC3)ccc([O-])c2n1 ZINC000552669957 517340323 /nfs/dbraw/zinc/34/03/23/517340323.db2.gz MWXIMSGNXATRSS-UHFFFAOYSA-N -1 3 359.433 2.838 20 30 FFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000553120962 517533669 /nfs/dbraw/zinc/53/36/69/517533669.db2.gz GFIQBWMSTLTKIB-UHFFFAOYSA-N -1 3 357.458 2.724 20 30 FFEDHM C=CCc1ccc(OC[C@H](O)COc2ccc3c([O-])coc3c2)c(OC)c1 ZINC000549784094 517707571 /nfs/dbraw/zinc/70/75/71/517707571.db2.gz VJMHBYOYOXHWKL-OAHLLOKOSA-N -1 3 370.401 2.818 20 30 FFEDHM C[C@H](c1ccc(-c2ccc([O-])c(C#N)c2)cc1)N1CCN(CCO)CC1 ZINC000527586241 517775251 /nfs/dbraw/zinc/77/52/51/517775251.db2.gz CQWJMAQEQLFYAD-MRXNPFEDSA-N -1 3 351.450 2.602 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)CCCC1 ZINC000546776275 517852276 /nfs/dbraw/zinc/85/22/76/517852276.db2.gz GREMCDHLHPILHB-UHFFFAOYSA-N -1 3 351.453 2.906 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)c(F)c1 ZINC000546781286 517853614 /nfs/dbraw/zinc/85/36/14/517853614.db2.gz QGZWFALVBXSUOZ-HNNXBMFYSA-N -1 3 358.410 2.656 20 30 FFEDHM N#Cc1nccc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000563416858 517891967 /nfs/dbraw/zinc/89/19/67/517891967.db2.gz LUTXBHADSOTGED-UHFFFAOYSA-N -1 3 357.801 2.562 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N(C)Cc1cccc(C#N)c1)c2=O ZINC000539221867 517952677 /nfs/dbraw/zinc/95/26/77/517952677.db2.gz RURVKUKNGQZETO-UHFFFAOYSA-N -1 3 365.364 2.820 20 30 FFEDHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000534635876 517975095 /nfs/dbraw/zinc/97/50/95/517975095.db2.gz LBZVJSCVKXVWOO-CYBMUJFWSA-N -1 3 362.426 2.863 20 30 FFEDHM Cc1cccnc1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000550434194 518052613 /nfs/dbraw/zinc/05/26/13/518052613.db2.gz PNEFTCDWCFGXID-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO[C@H]1C1CC1 ZINC000547340856 518087786 /nfs/dbraw/zinc/08/77/86/518087786.db2.gz YZSVROLAMDUWPB-JKSUJKDBSA-N -1 3 354.859 2.695 20 30 FFEDHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1C ZINC000578594584 518280923 /nfs/dbraw/zinc/28/09/23/518280923.db2.gz JACOIUOHEKQLCY-UHFFFAOYSA-N -1 3 360.435 2.887 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000579496763 518709892 /nfs/dbraw/zinc/70/98/92/518709892.db2.gz QPVZLVZHZDNACP-SFHVURJKSA-N -1 3 350.422 2.594 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000573556649 518725714 /nfs/dbraw/zinc/72/57/14/518725714.db2.gz NYNMMNPZEILDSB-ONHLAKKPSA-N -1 3 351.450 2.879 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCCO1 ZINC000588122869 518730635 /nfs/dbraw/zinc/73/06/35/518730635.db2.gz IAWHEZYHAOHTKS-ZWNOBZJWSA-N -1 3 373.272 2.557 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCc2ccc(C#N)cc21 ZINC000573746589 518815961 /nfs/dbraw/zinc/81/59/61/518815961.db2.gz UNZDMXSRMHMPBV-UHFFFAOYSA-N -1 3 359.389 2.626 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c(F)c1 ZINC000565280149 518874857 /nfs/dbraw/zinc/87/48/57/518874857.db2.gz UBQKGYLTLFTMBZ-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000582755449 518903634 /nfs/dbraw/zinc/90/36/34/518903634.db2.gz VGXAQVKAJROQND-ZDUSSCGKSA-N -1 3 362.838 2.802 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)CCC1 ZINC000589228250 518957874 /nfs/dbraw/zinc/95/78/74/518957874.db2.gz WVAVPLVIMXFUFV-KRWDZBQOSA-N -1 3 359.426 2.923 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000589597587 519037395 /nfs/dbraw/zinc/03/73/95/519037395.db2.gz RDYSJPZZQQUTTG-INIZCTEOSA-N -1 3 364.448 2.658 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(O[C@@H]4CCOC4)cc3)nc1-2 ZINC000577578418 519147661 /nfs/dbraw/zinc/14/76/61/519147661.db2.gz IIHMSBINNMLKLX-CVEARBPZSA-N -1 3 362.389 2.924 20 30 FFEDHM N#Cc1ccccc1NC(=O)CCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590558526 519265925 /nfs/dbraw/zinc/26/59/25/519265925.db2.gz RYCCBASABLSILG-UHFFFAOYSA-N -1 3 363.377 2.888 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@H]2CSc3ccccc3O2)CCCC1 ZINC000578129518 519434143 /nfs/dbraw/zinc/43/41/43/519434143.db2.gz KDCRNALGGZBEKF-ZDUSSCGKSA-N -1 3 352.481 2.543 20 30 FFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000590955781 519458272 /nfs/dbraw/zinc/45/82/72/519458272.db2.gz NZEMIROITFMDEQ-GOSISDBHSA-N -1 3 367.428 2.581 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNc3snc(C)c3C#N)c2)[n-]1 ZINC000572317171 519552078 /nfs/dbraw/zinc/55/20/78/519552078.db2.gz PZZOGJCDPHRLQO-UHFFFAOYSA-N -1 3 368.422 2.897 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNc3snc(C)c3C#N)c2)n[n-]1 ZINC000572317171 519552080 /nfs/dbraw/zinc/55/20/80/519552080.db2.gz PZZOGJCDPHRLQO-UHFFFAOYSA-N -1 3 368.422 2.897 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591260595 519563708 /nfs/dbraw/zinc/56/37/08/519563708.db2.gz VAVQGWXYEZUVEO-JTQLQIEISA-N -1 3 365.333 2.830 20 30 FFEDHM CO[C@H]1C[C@@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000569564539 519612593 /nfs/dbraw/zinc/61/25/93/519612593.db2.gz QYPWYBDTOIFSLQ-SJORKVTESA-N -1 3 357.454 2.624 20 30 FFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594724812 520114632 /nfs/dbraw/zinc/11/46/32/520114632.db2.gz XZXNUENKVPUXGC-SJKOYZFVSA-N -1 3 374.422 2.894 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO ZINC000594770520 520148020 /nfs/dbraw/zinc/14/80/20/520148020.db2.gz JPEFCFDWXZVMSQ-HIFRSBDPSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C)O1 ZINC000594785605 520156469 /nfs/dbraw/zinc/15/64/69/520156469.db2.gz SIGAYEDZIVTHSZ-GWCFXTLKSA-N -1 3 350.465 2.927 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CSc3ccccc3O2)s1 ZINC000592067848 520163304 /nfs/dbraw/zinc/16/33/04/520163304.db2.gz VYOLYGGRBCFJIR-LLVKDONJSA-N -1 3 366.489 2.841 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000594815626 520172096 /nfs/dbraw/zinc/17/20/96/520172096.db2.gz ZOAZCUOSRMCJAU-NSHDSACASA-N -1 3 362.542 2.533 20 30 FFEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C#N)ccc2OC)cc1 ZINC000609072576 520185468 /nfs/dbraw/zinc/18/54/68/520185468.db2.gz SKFYCZIIIBERQZ-UHFFFAOYSA-N -1 3 373.434 2.971 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)CCCC1 ZINC000594864968 520196990 /nfs/dbraw/zinc/19/69/90/520196990.db2.gz QTWJBSHAJYKVNH-UHFFFAOYSA-N -1 3 359.469 2.711 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1noc2ccccc12 ZINC000597874050 520297642 /nfs/dbraw/zinc/29/76/42/520297642.db2.gz MGIXELNOBIXPIB-UHFFFAOYSA-N -1 3 364.405 2.708 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)Cc3cccc(C#N)c3)CCCCCC2)no1 ZINC000603631327 520333327 /nfs/dbraw/zinc/33/33/27/520333327.db2.gz VZLPHPILWJKATB-UHFFFAOYSA-N -1 3 374.466 2.919 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000600668061 520385271 /nfs/dbraw/zinc/38/52/71/520385271.db2.gz LIWPKLJEPHTJTO-KBRIMQKVSA-N -1 3 354.447 2.905 20 30 FFEDHM N#C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000595291509 520389888 /nfs/dbraw/zinc/38/98/88/520389888.db2.gz ZNTGBXYWSCDVAH-MRXNPFEDSA-N -1 3 361.492 2.756 20 30 FFEDHM COc1cc(C(=O)N2CCc3c(CC#N)cccc3C2)cc(OC)c1[O-] ZINC000600781152 520465876 /nfs/dbraw/zinc/46/58/76/520465876.db2.gz SLZQYAYNQXJRQW-UHFFFAOYSA-N -1 3 352.390 2.674 20 30 FFEDHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3)on2)n(-c2ccc(C#N)cc2)n1 ZINC000610232896 520593380 /nfs/dbraw/zinc/59/33/80/520593380.db2.gz QGALOKUFVSLQPG-UHFFFAOYSA-N -1 3 370.372 2.777 20 30 FFEDHM C[C@@]1(C#N)CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000598410343 520603576 /nfs/dbraw/zinc/60/35/76/520603576.db2.gz UEBBLAQQDALVCQ-INIZCTEOSA-N -1 3 360.211 2.666 20 30 FFEDHM N#Cc1ccc(C2([N-]S(=O)(=O)c3c[nH]nc3C(F)(F)F)CCC2)cc1 ZINC000601461123 520797756 /nfs/dbraw/zinc/79/77/56/520797756.db2.gz VPQOVGDRQCKWQA-UHFFFAOYSA-N -1 3 370.356 2.658 20 30 FFEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC2 ZINC000611017182 520949074 /nfs/dbraw/zinc/94/90/74/520949074.db2.gz HEPOXYCXZYFZED-HNNXBMFYSA-N -1 3 357.391 2.741 20 30 FFEDHM N#CCCCOc1cccc([N-]S(=O)(=O)CCOCC2CCC2)c1 ZINC000601975860 521051268 /nfs/dbraw/zinc/05/12/68/521051268.db2.gz LODDAYULLGQGOQ-UHFFFAOYSA-N -1 3 352.456 2.928 20 30 FFEDHM COc1cc(F)c([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593545849 521066288 /nfs/dbraw/zinc/06/62/88/521066288.db2.gz XTROODHXPFQXTA-SECBINFHSA-N -1 3 370.427 2.816 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000593575565 521086145 /nfs/dbraw/zinc/08/61/45/521086145.db2.gz HSHQALYJDGAWMC-KGLIPLIRSA-N -1 3 366.439 2.957 20 30 FFEDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000593640335 521125595 /nfs/dbraw/zinc/12/55/95/521125595.db2.gz IUTJSPGXMLPIMN-CHWSQXEVSA-N -1 3 373.272 2.557 20 30 FFEDHM COc1ccc2c(c1)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000594132430 521424615 /nfs/dbraw/zinc/42/46/15/521424615.db2.gz QAGNZYWMHPLURQ-UHFFFAOYSA-N -1 3 351.406 2.759 20 30 FFEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000619166690 521426381 /nfs/dbraw/zinc/42/63/81/521426381.db2.gz WALCMWDMAHACIT-WMLDXEAASA-N -1 3 355.417 2.573 20 30 FFEDHM CSc1ccc([O-])c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000597108347 521512046 /nfs/dbraw/zinc/51/20/46/521512046.db2.gz SJSBLSYNXLXEDK-UHFFFAOYSA-N -1 3 368.462 2.780 20 30 FFEDHM C=CCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000620863480 522487153 /nfs/dbraw/zinc/48/71/53/522487153.db2.gz WMROFXUUYBZZBC-UHFFFAOYSA-N -1 3 373.478 2.779 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)n1 ZINC000502367275 538742346 /nfs/dbraw/zinc/74/23/46/538742346.db2.gz CDMJUQDQLYUPPS-UHFFFAOYSA-N -1 3 365.303 2.546 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)n1 ZINC000502367275 538742352 /nfs/dbraw/zinc/74/23/52/538742352.db2.gz CDMJUQDQLYUPPS-UHFFFAOYSA-N -1 3 365.303 2.546 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)n1 ZINC000502367275 538742360 /nfs/dbraw/zinc/74/23/60/538742360.db2.gz CDMJUQDQLYUPPS-UHFFFAOYSA-N -1 3 365.303 2.546 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc(C#N)c(C)n3)c2)[n-]1 ZINC000487758978 561375104 /nfs/dbraw/zinc/37/51/04/561375104.db2.gz DGBMUFHIIPRELY-UHFFFAOYSA-N -1 3 362.393 2.836 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNc3ccc(C#N)c(C)n3)c2)n[n-]1 ZINC000487758978 561375105 /nfs/dbraw/zinc/37/51/05/561375105.db2.gz DGBMUFHIIPRELY-UHFFFAOYSA-N -1 3 362.393 2.836 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cnc3ccccc3c2[O-])n1 ZINC000512126482 561893386 /nfs/dbraw/zinc/89/33/86/561893386.db2.gz ANZUHSXVFUXSTB-UHFFFAOYSA-N -1 3 373.347 2.977 20 30 FFEDHM O=[N+]([O-])c1ccc(Cl)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823639637 607252801 /nfs/dbraw/zinc/25/28/01/607252801.db2.gz FBUXRNIEYVLIKJ-UHFFFAOYSA-N -1 3 357.761 2.552 20 30 FFEDHM O=[N+]([O-])c1ccc(Cl)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823639637 607252802 /nfs/dbraw/zinc/25/28/02/607252802.db2.gz FBUXRNIEYVLIKJ-UHFFFAOYSA-N -1 3 357.761 2.552 20 30 FFEDHM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737468417 598922416 /nfs/dbraw/zinc/92/24/16/598922416.db2.gz ZMPJPXALLZHLBK-UHFFFAOYSA-N -1 3 353.411 2.879 20 30 FFEDHM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737468417 598922418 /nfs/dbraw/zinc/92/24/18/598922418.db2.gz ZMPJPXALLZHLBK-UHFFFAOYSA-N -1 3 353.411 2.879 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCOCc2ccccc2)cc1-c1nnn[n-]1 ZINC000737715874 598929672 /nfs/dbraw/zinc/92/96/72/598929672.db2.gz GJQCPOKEYPVBJF-UHFFFAOYSA-N -1 3 362.393 2.674 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCOCc2ccccc2)cc1-c1nn[n-]n1 ZINC000737715874 598929674 /nfs/dbraw/zinc/92/96/74/598929674.db2.gz GJQCPOKEYPVBJF-UHFFFAOYSA-N -1 3 362.393 2.674 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C#N)cc1C ZINC000737032089 598979315 /nfs/dbraw/zinc/97/93/15/598979315.db2.gz HIHMDRJWKOIMIO-UHFFFAOYSA-N -1 3 351.366 2.513 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C#N)cc1C ZINC000737032089 598979317 /nfs/dbraw/zinc/97/93/17/598979317.db2.gz HIHMDRJWKOIMIO-UHFFFAOYSA-N -1 3 351.366 2.513 20 30 FFEDHM O=C1C(=Cc2ccccc2-n2cncn2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505173 599115086 /nfs/dbraw/zinc/11/50/86/599115086.db2.gz YMASECLJHLZXDH-GDNBJRDFSA-N -1 3 369.388 2.660 20 30 FFEDHM O=C1C(=Cc2ccccc2-n2cncn2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505173 599115089 /nfs/dbraw/zinc/11/50/89/599115089.db2.gz YMASECLJHLZXDH-GDNBJRDFSA-N -1 3 369.388 2.660 20 30 FFEDHM O=C1C(=Cc2cn(-c3ccccc3)nn2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505252 599115339 /nfs/dbraw/zinc/11/53/39/599115339.db2.gz ZFBFMKWMJZQJKW-KAMYIIQDSA-N -1 3 369.388 2.660 20 30 FFEDHM O=C1C(=Cc2cn(-c3ccccc3)nn2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505252 599115344 /nfs/dbraw/zinc/11/53/44/599115344.db2.gz ZFBFMKWMJZQJKW-KAMYIIQDSA-N -1 3 369.388 2.660 20 30 FFEDHM C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409863 599147083 /nfs/dbraw/zinc/14/70/83/599147083.db2.gz NCBXBSPKQQJIFK-SUMWQHHRSA-N -1 3 363.425 2.939 20 30 FFEDHM C=CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409863 599147085 /nfs/dbraw/zinc/14/70/85/599147085.db2.gz NCBXBSPKQQJIFK-SUMWQHHRSA-N -1 3 363.425 2.939 20 30 FFEDHM Cc1cccc2c(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000737408287 599191512 /nfs/dbraw/zinc/19/15/12/599191512.db2.gz JODAOXXSWVKLML-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM Cc1cccc2c(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000737408287 599191514 /nfs/dbraw/zinc/19/15/14/599191514.db2.gz JODAOXXSWVKLML-UHFFFAOYSA-N -1 3 357.377 2.709 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccc3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000737703855 599192187 /nfs/dbraw/zinc/19/21/87/599192187.db2.gz FZYSHWCCAOKXDJ-NTMALXAHSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000737703855 599192190 /nfs/dbraw/zinc/19/21/90/599192190.db2.gz FZYSHWCCAOKXDJ-NTMALXAHSA-N -1 3 367.372 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716362 599196581 /nfs/dbraw/zinc/19/65/81/599196581.db2.gz PZHCJTDHMYDIDO-LBPRGKRZSA-N -1 3 360.377 2.633 20 30 FFEDHM N#Cc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716362 599196583 /nfs/dbraw/zinc/19/65/83/599196583.db2.gz PZHCJTDHMYDIDO-LBPRGKRZSA-N -1 3 360.377 2.633 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1ccccn1 ZINC000735418133 598257724 /nfs/dbraw/zinc/25/77/24/598257724.db2.gz BMNQFKGVALJAMC-UHFFFAOYSA-N -1 3 362.437 2.799 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCc1ccccn1 ZINC000735418133 598257725 /nfs/dbraw/zinc/25/77/25/598257725.db2.gz BMNQFKGVALJAMC-UHFFFAOYSA-N -1 3 362.437 2.799 20 30 FFEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000737718205 598322856 /nfs/dbraw/zinc/32/28/56/598322856.db2.gz MAFXHLKYKZGJBE-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000737718205 598322857 /nfs/dbraw/zinc/32/28/57/598322857.db2.gz MAFXHLKYKZGJBE-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM C=CCSCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735437180 598322900 /nfs/dbraw/zinc/32/29/00/598322900.db2.gz YZPJDXVPRLOVDU-UHFFFAOYSA-N -1 3 354.892 2.726 20 30 FFEDHM C=CCSCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735437180 598322902 /nfs/dbraw/zinc/32/29/02/598322902.db2.gz YZPJDXVPRLOVDU-UHFFFAOYSA-N -1 3 354.892 2.726 20 30 FFEDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccc(F)cc1 ZINC000823065903 607352946 /nfs/dbraw/zinc/35/29/46/607352946.db2.gz DTVSPFZKMXCZBU-UHFFFAOYSA-N -1 3 368.393 2.693 20 30 FFEDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(F)cc1 ZINC000823065903 607352948 /nfs/dbraw/zinc/35/29/48/607352948.db2.gz DTVSPFZKMXCZBU-UHFFFAOYSA-N -1 3 368.393 2.693 20 30 FFEDHM N#CCc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737698444 598576540 /nfs/dbraw/zinc/57/65/40/598576540.db2.gz YOSUXTWUZLBYJY-SFHVURJKSA-N -1 3 373.420 2.540 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000737674558 598591710 /nfs/dbraw/zinc/59/17/10/598591710.db2.gz KMPQJZUAWFZBLW-ZDUSSCGKSA-N -1 3 374.191 2.563 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000737674558 598591712 /nfs/dbraw/zinc/59/17/12/598591712.db2.gz KMPQJZUAWFZBLW-ZDUSSCGKSA-N -1 3 374.191 2.563 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737721605 598714046 /nfs/dbraw/zinc/71/40/46/598714046.db2.gz AAQOIOQQFIYLOB-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737721605 598714048 /nfs/dbraw/zinc/71/40/48/598714048.db2.gz AAQOIOQQFIYLOB-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc2ccccc2n1CC#N ZINC000737025398 598815663 /nfs/dbraw/zinc/81/56/63/598815663.db2.gz QAWDKJLQMHUMHK-UHFFFAOYSA-N -1 3 374.360 2.573 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc2ccccc2n1CC#N ZINC000737025398 598815664 /nfs/dbraw/zinc/81/56/64/598815664.db2.gz QAWDKJLQMHUMHK-UHFFFAOYSA-N -1 3 374.360 2.573 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3ccc(C)cn23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822279879 607367959 /nfs/dbraw/zinc/36/79/59/607367959.db2.gz FCDIGKWYFJRZRU-VOTSOKGWSA-N -1 3 373.420 2.775 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3ccc(C)cn23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822279879 607367961 /nfs/dbraw/zinc/36/79/61/607367961.db2.gz FCDIGKWYFJRZRU-VOTSOKGWSA-N -1 3 373.420 2.775 20 30 FFEDHM C=CCn1c(SCc2cc(-c3nnn[n-]3)ccc2OC)nnc1C1CC1 ZINC000819763759 607375095 /nfs/dbraw/zinc/37/50/95/607375095.db2.gz CPNKDWUWOMBIKX-UHFFFAOYSA-N -1 3 369.454 2.823 20 30 FFEDHM C=CCn1c(SCc2cc(-c3nn[n-]n3)ccc2OC)nnc1C1CC1 ZINC000819763759 607375098 /nfs/dbraw/zinc/37/50/98/607375098.db2.gz CPNKDWUWOMBIKX-UHFFFAOYSA-N -1 3 369.454 2.823 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c[nH]c2ccccc12 ZINC000737808433 599463693 /nfs/dbraw/zinc/46/36/93/599463693.db2.gz SZFBOVDFGKPEPL-SREVYHEPSA-N -1 3 355.361 2.892 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c[nH]c2ccccc12 ZINC000737808433 599463694 /nfs/dbraw/zinc/46/36/94/599463694.db2.gz SZFBOVDFGKPEPL-SREVYHEPSA-N -1 3 355.361 2.892 20 30 FFEDHM C[C@H](NC(=O)c1ccccc1SCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820397464 599525868 /nfs/dbraw/zinc/52/58/68/599525868.db2.gz PCZYJZZPKFFOFB-LBPRGKRZSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@H](NC(=O)c1ccccc1SCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820397464 599525870 /nfs/dbraw/zinc/52/58/70/599525870.db2.gz PCZYJZZPKFFOFB-LBPRGKRZSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735506910 599563705 /nfs/dbraw/zinc/56/37/05/599563705.db2.gz YGNYPSGKSMPKMA-CYBMUJFWSA-N -1 3 361.409 2.842 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1-c1nnn[n-]1 ZINC000822829737 599631372 /nfs/dbraw/zinc/63/13/72/599631372.db2.gz GXSDSZJMGIUVGC-GHTZIAJQSA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1-c1nn[n-]n1 ZINC000822829737 599631373 /nfs/dbraw/zinc/63/13/73/599631373.db2.gz GXSDSZJMGIUVGC-GHTZIAJQSA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1-c1nnn[n-]1 ZINC000822829765 599631525 /nfs/dbraw/zinc/63/15/25/599631525.db2.gz HZJQESZVCJGCTN-UHFFFAOYSA-N -1 3 360.377 2.922 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1-c1nn[n-]n1 ZINC000822829765 599631526 /nfs/dbraw/zinc/63/15/26/599631526.db2.gz HZJQESZVCJGCTN-UHFFFAOYSA-N -1 3 360.377 2.922 20 30 FFEDHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C#N)cc1 ZINC000824498458 607392508 /nfs/dbraw/zinc/39/25/08/607392508.db2.gz HNTNAAIRWUHTOP-CYBMUJFWSA-N -1 3 373.420 2.788 20 30 FFEDHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C#N)cc1 ZINC000824498458 607392510 /nfs/dbraw/zinc/39/25/10/607392510.db2.gz HNTNAAIRWUHTOP-CYBMUJFWSA-N -1 3 373.420 2.788 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826257162 607413858 /nfs/dbraw/zinc/41/38/58/607413858.db2.gz QBDKMKWPIKAVAJ-ZDUSSCGKSA-N -1 3 363.377 2.558 20 30 FFEDHM COc1ccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738023763 600561253 /nfs/dbraw/zinc/56/12/53/600561253.db2.gz UAVPBCLERRBMFQ-IBGZPJMESA-N -1 3 351.406 2.515 20 30 FFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nnn[n-]2)cc1F ZINC000819751490 607459528 /nfs/dbraw/zinc/45/95/28/607459528.db2.gz VYXVGSWNKIWEEH-KRWDZBQOSA-N -1 3 350.357 2.758 20 30 FFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nn[n-]n2)cc1F ZINC000819751490 607459529 /nfs/dbraw/zinc/45/95/29/607459529.db2.gz VYXVGSWNKIWEEH-KRWDZBQOSA-N -1 3 350.357 2.758 20 30 FFEDHM N#Cc1cccc([C@@H](NCc2ccc(N3CCCCC3)nc2)C(=O)[O-])c1 ZINC000833074696 601301492 /nfs/dbraw/zinc/30/14/92/601301492.db2.gz DMRDQBHALCNFNK-LJQANCHMSA-N -1 3 350.422 2.859 20 30 FFEDHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(N2CCOCC2)c1 ZINC000832933398 601560598 /nfs/dbraw/zinc/56/05/98/601560598.db2.gz AEXVXLZZISUVQD-FQEVSTJZSA-N -1 3 365.433 2.619 20 30 FFEDHM C=CCN1CCC(NC(=O)Nc2cccc(CN(CC)C(=O)[O-])c2)CC1 ZINC000738491468 603342072 /nfs/dbraw/zinc/34/20/72/603342072.db2.gz ISLWVLUKSGCRIG-UHFFFAOYSA-N -1 3 360.458 2.958 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000827460614 604221083 /nfs/dbraw/zinc/22/10/83/604221083.db2.gz WRNIORGDILXJTN-MGPQQGTHSA-N -1 3 373.409 2.559 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000833369375 604982984 /nfs/dbraw/zinc/98/29/84/604982984.db2.gz TURZBRBPBAKJPA-HNNXBMFYSA-N -1 3 351.491 2.559 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N(CCC)C2CCN(C(=O)[O-])CC2)CC1 ZINC000823480609 605612266 /nfs/dbraw/zinc/61/22/66/605612266.db2.gz IDKGMGBIBXSTQX-UHFFFAOYSA-N -1 3 366.506 2.591 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)nc1 ZINC000823861263 607769488 /nfs/dbraw/zinc/76/94/88/607769488.db2.gz BPDCIPYPBNWOJE-UHFFFAOYSA-N -1 3 373.401 2.619 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)nc1 ZINC000823861263 607769489 /nfs/dbraw/zinc/76/94/89/607769489.db2.gz BPDCIPYPBNWOJE-UHFFFAOYSA-N -1 3 373.401 2.619 20 30 FFEDHM C=CCOCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823925918 607771243 /nfs/dbraw/zinc/77/12/43/607771243.db2.gz QYWYBTAAHHXIDD-UHFFFAOYSA-N -1 3 370.438 2.912 20 30 FFEDHM C=CCOCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823925918 607771244 /nfs/dbraw/zinc/77/12/44/607771244.db2.gz QYWYBTAAHHXIDD-UHFFFAOYSA-N -1 3 370.438 2.912 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(C#N)c2n1CCC2 ZINC000822014907 606305850 /nfs/dbraw/zinc/30/58/50/606305850.db2.gz AXAJISTVILPWLW-PLNGDYQASA-N -1 3 350.407 2.752 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(C#N)c2n1CCC2 ZINC000822014907 606305852 /nfs/dbraw/zinc/30/58/52/606305852.db2.gz AXAJISTVILPWLW-PLNGDYQASA-N -1 3 350.407 2.752 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822801400 606449124 /nfs/dbraw/zinc/44/91/24/606449124.db2.gz IPVKWNKTOQWMAX-ZWKOTPCHSA-N -1 3 358.405 2.779 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822801400 606449126 /nfs/dbraw/zinc/44/91/26/606449126.db2.gz IPVKWNKTOQWMAX-ZWKOTPCHSA-N -1 3 358.405 2.779 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820015135 606628114 /nfs/dbraw/zinc/62/81/14/606628114.db2.gz AIYHCZWLIHEIRB-HNNXBMFYSA-N -1 3 364.862 2.667 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820015135 606628116 /nfs/dbraw/zinc/62/81/16/606628116.db2.gz AIYHCZWLIHEIRB-HNNXBMFYSA-N -1 3 364.862 2.667 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000819745454 606629417 /nfs/dbraw/zinc/62/94/17/606629417.db2.gz DLGUZHLAAOGFCS-ZWKOTPCHSA-N -1 3 366.469 2.603 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000819745454 606629418 /nfs/dbraw/zinc/62/94/18/606629418.db2.gz DLGUZHLAAOGFCS-ZWKOTPCHSA-N -1 3 366.469 2.603 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC#Cc1ccc(Cl)cc1 ZINC000822818530 606638289 /nfs/dbraw/zinc/63/82/89/606638289.db2.gz BTAWICPEAFXOHU-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC#Cc1ccc(Cl)cc1 ZINC000822818530 606638290 /nfs/dbraw/zinc/63/82/90/606638290.db2.gz BTAWICPEAFXOHU-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM C=CCN(CC(=O)c1cc(C)n(C)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740261 606646123 /nfs/dbraw/zinc/64/61/23/606646123.db2.gz WQTMCKSCOQRIFU-UHFFFAOYSA-N -1 3 364.453 2.693 20 30 FFEDHM C=CCN(CC(=O)c1cc(C)n(C)c1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819740261 606646124 /nfs/dbraw/zinc/64/61/24/606646124.db2.gz WQTMCKSCOQRIFU-UHFFFAOYSA-N -1 3 364.453 2.693 20 30 FFEDHM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820939532 606732246 /nfs/dbraw/zinc/73/22/46/606732246.db2.gz WASDBGACGYPQDS-INIZCTEOSA-N -1 3 354.414 2.805 20 30 FFEDHM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820939532 606732248 /nfs/dbraw/zinc/73/22/48/606732248.db2.gz WASDBGACGYPQDS-INIZCTEOSA-N -1 3 354.414 2.805 20 30 FFEDHM COc1cc(C#N)ccc1OCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821702919 606783097 /nfs/dbraw/zinc/78/30/97/606783097.db2.gz GXEZBKTXWRGCSH-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM COc1cc(C#N)ccc1OCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821702919 606783098 /nfs/dbraw/zinc/78/30/98/606783098.db2.gz GXEZBKTXWRGCSH-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822833275 606999161 /nfs/dbraw/zinc/99/91/61/606999161.db2.gz NJGGPVZLNXQPGW-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822833275 606999162 /nfs/dbraw/zinc/99/91/62/606999162.db2.gz NJGGPVZLNXQPGW-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822818539 607003645 /nfs/dbraw/zinc/00/36/45/607003645.db2.gz BXYBTWGLUOBVIS-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822818539 607003647 /nfs/dbraw/zinc/00/36/47/607003647.db2.gz BXYBTWGLUOBVIS-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000822222726 607028346 /nfs/dbraw/zinc/02/83/46/607028346.db2.gz RESJUQGRNUWPSI-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000822222726 607028348 /nfs/dbraw/zinc/02/83/48/607028348.db2.gz RESJUQGRNUWPSI-UHFFFAOYSA-N -1 3 359.349 2.676 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822830094 607194919 /nfs/dbraw/zinc/19/49/19/607194919.db2.gz UONHBEDSOZUFAN-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM N#Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822830094 607194920 /nfs/dbraw/zinc/19/49/20/607194920.db2.gz UONHBEDSOZUFAN-UHFFFAOYSA-N -1 3 371.763 2.853 20 30 FFEDHM CCCCCCCCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825272161 607851719 /nfs/dbraw/zinc/85/17/19/607851719.db2.gz XPQUREWWEPZIBO-UHFFFAOYSA-N -1 3 351.476 2.647 20 30 FFEDHM CCCCCCCCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825272161 607851720 /nfs/dbraw/zinc/85/17/20/607851720.db2.gz XPQUREWWEPZIBO-UHFFFAOYSA-N -1 3 351.476 2.647 20 30 FFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1c(C2CC2)nc2sccn12 ZINC000823861990 607885804 /nfs/dbraw/zinc/88/58/04/607885804.db2.gz WKXDYBQYBZHLJA-UHFFFAOYSA-N -1 3 350.411 2.899 20 30 FFEDHM CCC(CC)CN(CCC#N)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825106648 607923732 /nfs/dbraw/zinc/92/37/32/607923732.db2.gz HFGXGADACRZESK-UHFFFAOYSA-N -1 3 370.457 2.805 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823838786 607961555 /nfs/dbraw/zinc/96/15/55/607961555.db2.gz UQTATAPRSHODQU-OAHLLOKOSA-N -1 3 350.357 2.892 20 30 FFEDHM C#CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823838786 607961556 /nfs/dbraw/zinc/96/15/56/607961556.db2.gz UQTATAPRSHODQU-OAHLLOKOSA-N -1 3 350.357 2.892 20 30 FFEDHM C=C[C@@H](CC(=O)OCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882676 607990188 /nfs/dbraw/zinc/99/01/88/607990188.db2.gz BMUOUXPBFKDDQJ-AWEZNQCLSA-N -1 3 364.409 2.577 20 30 FFEDHM C=C[C@@H](CC(=O)OCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882676 607990189 /nfs/dbraw/zinc/99/01/89/607990189.db2.gz BMUOUXPBFKDDQJ-AWEZNQCLSA-N -1 3 364.409 2.577 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3cc(Cl)ccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386421 608053394 /nfs/dbraw/zinc/05/33/94/608053394.db2.gz DBILBOULTXNBGE-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3cc(Cl)ccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386421 608053395 /nfs/dbraw/zinc/05/33/95/608053395.db2.gz DBILBOULTXNBGE-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953674 608091790 /nfs/dbraw/zinc/09/17/90/608091790.db2.gz LEZKSRIIAHLUBN-UHFFFAOYSA-N -1 3 361.431 2.778 20 30 FFEDHM O=C(C=NOCc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1Cl ZINC000826403193 608153032 /nfs/dbraw/zinc/15/30/32/608153032.db2.gz LXBDPOLGBJQJND-UHFFFAOYSA-N -1 3 374.763 2.800 20 30 FFEDHM O=C(C=NOCc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1Cl ZINC000826403193 608153035 /nfs/dbraw/zinc/15/30/35/608153035.db2.gz LXBDPOLGBJQJND-UHFFFAOYSA-N -1 3 374.763 2.800 20 30 FFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C1(C#N)CCCCC1 ZINC000825789312 608177194 /nfs/dbraw/zinc/17/71/94/608177194.db2.gz ZATAJGJOPRSBOL-UHFFFAOYSA-N -1 3 364.413 2.649 20 30 FFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C1(C#N)CCCCC1 ZINC000825789312 608177195 /nfs/dbraw/zinc/17/71/95/608177195.db2.gz ZATAJGJOPRSBOL-UHFFFAOYSA-N -1 3 364.413 2.649 20 30 FFEDHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000824715636 608183586 /nfs/dbraw/zinc/18/35/86/608183586.db2.gz TZYSXQVIDWIWEL-VIFPVBQESA-N -1 3 355.304 2.935 20 30 FFEDHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000824715636 608183588 /nfs/dbraw/zinc/18/35/88/608183588.db2.gz TZYSXQVIDWIWEL-VIFPVBQESA-N -1 3 355.304 2.935 20 30 FFEDHM COc1cc(C#N)ccc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826177217 608324220 /nfs/dbraw/zinc/32/42/20/608324220.db2.gz XPCLYBAXYYJMQX-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM COc1cc(C#N)ccc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826177217 608324222 /nfs/dbraw/zinc/32/42/22/608324222.db2.gz XPCLYBAXYYJMQX-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823915322 608355757 /nfs/dbraw/zinc/35/57/57/608355757.db2.gz UUQNVRAEBMLSDX-UHFFFAOYSA-N -1 3 360.421 2.935 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000823915322 608355758 /nfs/dbraw/zinc/35/57/58/608355758.db2.gz UUQNVRAEBMLSDX-UHFFFAOYSA-N -1 3 360.421 2.935 20 30 FFEDHM C[C@H](C#N)CN(C)c1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000824034110 608366965 /nfs/dbraw/zinc/36/69/65/608366965.db2.gz HDQJBNCRIJTLIF-SECBINFHSA-N -1 3 359.340 2.612 20 30 FFEDHM C[C@H](C#N)CN(C)c1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000824034110 608366967 /nfs/dbraw/zinc/36/69/67/608366967.db2.gz HDQJBNCRIJTLIF-SECBINFHSA-N -1 3 359.340 2.612 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC000826384480 608452072 /nfs/dbraw/zinc/45/20/72/608452072.db2.gz XFEBTCAWDSFSIW-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cc(F)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC000826384480 608452075 /nfs/dbraw/zinc/45/20/75/608452075.db2.gz XFEBTCAWDSFSIW-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2n1 ZINC000826379469 608472871 /nfs/dbraw/zinc/47/28/71/608472871.db2.gz SINWDUCQWMYMAB-OAHLLOKOSA-N -1 3 355.361 2.661 20 30 FFEDHM N#C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2n1 ZINC000826379469 608472872 /nfs/dbraw/zinc/47/28/72/608472872.db2.gz SINWDUCQWMYMAB-OAHLLOKOSA-N -1 3 355.361 2.661 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(OCC#N)cc1 ZINC000823958134 608537932 /nfs/dbraw/zinc/53/79/32/608537932.db2.gz DNVOTYUIHQVMHG-UHFFFAOYSA-N -1 3 368.788 2.654 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(OCC#N)cc1 ZINC000823958134 608537933 /nfs/dbraw/zinc/53/79/33/608537933.db2.gz DNVOTYUIHQVMHG-UHFFFAOYSA-N -1 3 368.788 2.654 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC=C2COc3ccccc3C2)n1 ZINC000826350379 608539240 /nfs/dbraw/zinc/53/92/40/608539240.db2.gz TUPXCHQRJBANDT-UHFFFAOYSA-N -1 3 353.773 2.789 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC=C2COc3ccccc3C2)n1 ZINC000826350379 608539242 /nfs/dbraw/zinc/53/92/42/608539242.db2.gz TUPXCHQRJBANDT-UHFFFAOYSA-N -1 3 353.773 2.789 20 30 FFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000825971369 608575237 /nfs/dbraw/zinc/57/52/37/608575237.db2.gz DCDHJSUBHZTIDB-UHFFFAOYSA-N -1 3 352.785 2.664 20 30 FFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000825971369 608575239 /nfs/dbraw/zinc/57/52/39/608575239.db2.gz DCDHJSUBHZTIDB-UHFFFAOYSA-N -1 3 352.785 2.664 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826381096 609246490 /nfs/dbraw/zinc/24/64/90/609246490.db2.gz XHNJGPRYMLMZJH-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826381096 609246492 /nfs/dbraw/zinc/24/64/92/609246492.db2.gz XHNJGPRYMLMZJH-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1O ZINC000826179098 609271733 /nfs/dbraw/zinc/27/17/33/609271733.db2.gz ZEYJNHMOGUEIDT-ZZXKWVIFSA-N -1 3 370.340 2.625 20 30 FFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1O ZINC000826179098 609271734 /nfs/dbraw/zinc/27/17/34/609271734.db2.gz ZEYJNHMOGUEIDT-ZZXKWVIFSA-N -1 3 370.340 2.625 20 30 FFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826217505 609271820 /nfs/dbraw/zinc/27/18/20/609271820.db2.gz PNVXCHGYDSVYAY-CMDGGOBGSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826217505 609271821 /nfs/dbraw/zinc/27/18/21/609271821.db2.gz PNVXCHGYDSVYAY-CMDGGOBGSA-N -1 3 354.341 2.919 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826162474 609271833 /nfs/dbraw/zinc/27/18/33/609271833.db2.gz DECLUNDGUUIIDD-RUDMXATFSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826162474 609271835 /nfs/dbraw/zinc/27/18/35/609271835.db2.gz DECLUNDGUUIIDD-RUDMXATFSA-N -1 3 368.368 2.927 20 30 FFEDHM O=[N+]([O-])c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826498501 609470294 /nfs/dbraw/zinc/47/02/94/609470294.db2.gz XLSRZZBWDDODCW-UHFFFAOYSA-N -1 3 357.761 2.552 20 30 FFEDHM O=[N+]([O-])c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826498501 609470297 /nfs/dbraw/zinc/47/02/97/609470297.db2.gz XLSRZZBWDDODCW-UHFFFAOYSA-N -1 3 357.761 2.552 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2CC)ccc1F ZINC000156162248 728844215 /nfs/dbraw/zinc/84/42/15/728844215.db2.gz QVQLROMLEJMVIB-SWLSCSKDSA-N -1 3 354.447 2.599 20 30 FFEDHM C#CCOc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000743449190 735298612 /nfs/dbraw/zinc/29/86/12/735298612.db2.gz PRWNFXPIXYLVQG-UHFFFAOYSA-N -1 3 356.447 2.585 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)ccc1F ZINC000074516215 728237137 /nfs/dbraw/zinc/23/71/37/728237137.db2.gz UBGNBMBQMCIWCD-ZFWWWQNUSA-N -1 3 368.474 2.941 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nc(C2CC2)cs1 ZINC000091140094 728456017 /nfs/dbraw/zinc/45/60/17/728456017.db2.gz AQTLRMAUPWFWLW-UHFFFAOYSA-N -1 3 357.435 2.873 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2c(s1)CCOC2 ZINC000103330256 728495893 /nfs/dbraw/zinc/49/58/93/728495893.db2.gz GMLDWLPVERYTKP-LBPRGKRZSA-N -1 3 356.403 2.791 20 30 FFEDHM CS(=O)(=O)c1ccc(OCC/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000105935596 728508949 /nfs/dbraw/zinc/50/89/49/728508949.db2.gz OEQUJCUNCQQSGT-WOJGMQOQSA-N -1 3 353.827 2.947 20 30 FFEDHM CC[C@@H](CC#N)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000188015682 729383470 /nfs/dbraw/zinc/38/34/70/729383470.db2.gz OZNGMKQBADKNPC-LBPRGKRZSA-N -1 3 356.419 2.752 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(C)(C)CC2)ccc1F ZINC000303887783 729735656 /nfs/dbraw/zinc/73/56/56/729735656.db2.gz OPFIDPUKBNEWCT-UHFFFAOYSA-N -1 3 368.474 2.989 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(OC2CCCC2)CC1 ZINC000330159429 729800161 /nfs/dbraw/zinc/80/01/61/729800161.db2.gz QXLAXHAITZYWQB-UHFFFAOYSA-N -1 3 361.368 2.661 20 30 FFEDHM C=CCCC(C)(C)NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000856374414 730330431 /nfs/dbraw/zinc/33/04/31/730330431.db2.gz ZWCHHWWAMCZXKA-LBPRGKRZSA-N -1 3 373.906 2.653 20 30 FFEDHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000859426559 730454411 /nfs/dbraw/zinc/45/44/11/730454411.db2.gz JGHNDBKPYLWCAD-JTQLQIEISA-N -1 3 355.765 2.675 20 30 FFEDHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000859428237 730454482 /nfs/dbraw/zinc/45/44/82/730454482.db2.gz XUPQKFSOJJPXHW-ZDUSSCGKSA-N -1 3 370.883 2.780 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)C(=O)OCC ZINC000867588593 731203459 /nfs/dbraw/zinc/20/34/59/731203459.db2.gz FNIKSLKCEUHPTR-WCBMZHEXSA-N -1 3 365.801 2.569 20 30 FFEDHM Cc1nc(CN2CCC(C(=O)[N-]Oc3cccc(C#N)c3)CC2)cs1 ZINC000870692725 731545431 /nfs/dbraw/zinc/54/54/31/731545431.db2.gz LZOBSSSXESMJDQ-UHFFFAOYSA-N -1 3 356.451 2.645 20 30 FFEDHM Cc1cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000871117538 731597574 /nfs/dbraw/zinc/59/75/74/731597574.db2.gz QLFQZNCDEAGRQB-SNVBAGLBSA-N -1 3 363.464 2.512 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000780774518 738575450 /nfs/dbraw/zinc/57/54/50/738575450.db2.gz BLCRZMYXGHZGAG-VIFPVBQESA-N -1 3 369.258 2.700 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)nc1 ZINC000780887815 738585661 /nfs/dbraw/zinc/58/56/61/738585661.db2.gz MQBJACADMBJPOH-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM Cc1cc(Br)cc(C)c1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878278655 732508461 /nfs/dbraw/zinc/50/84/61/732508461.db2.gz UPJWZYUOWLLBFJ-NSHDSACASA-N -1 3 356.220 2.568 20 30 FFEDHM O=C(Nc1cc(F)ccc1SCC(F)F)N[C@H]1CCCN([O-])C1=O ZINC000878773680 732591946 /nfs/dbraw/zinc/59/19/46/732591946.db2.gz ITUICYQYUAKJCR-VIFPVBQESA-N -1 3 363.361 2.685 20 30 FFEDHM CC(C)(C)Oc1c(F)cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1F ZINC000879145731 732654019 /nfs/dbraw/zinc/65/40/19/732654019.db2.gz QEJMZOZTQSLWOO-GFCCVEGCSA-N -1 3 357.357 2.644 20 30 FFEDHM O=C(Nc1cccc(Cl)c1Br)N[C@@H]1CCCN([O-])C1=O ZINC000879366389 732691375 /nfs/dbraw/zinc/69/13/75/732691375.db2.gz XXWBGARKQQFGIF-SECBINFHSA-N -1 3 362.611 2.604 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cnc(-c2ccco2)s1 ZINC000782238814 738700846 /nfs/dbraw/zinc/70/08/46/738700846.db2.gz MFGZLPCGZSYKJA-UHFFFAOYSA-N -1 3 361.448 2.899 20 30 FFEDHM C=CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)C ZINC000728868861 734546598 /nfs/dbraw/zinc/54/65/98/734546598.db2.gz QSZWOXIINPEFOI-UHFFFAOYSA-N -1 3 365.430 2.991 20 30 FFEDHM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(F)cc1F ZINC000734120168 734875567 /nfs/dbraw/zinc/87/55/67/734875567.db2.gz QAURFWWEKOPFPA-UHFFFAOYSA-N -1 3 365.361 2.904 20 30 FFEDHM O=[N+]([O-])c1ccc(Cl)cc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000739410496 735050865 /nfs/dbraw/zinc/05/08/65/735050865.db2.gz ZHSZWSKPQBPXTA-UHFFFAOYSA-N -1 3 353.787 2.702 20 30 FFEDHM COc1ccc(Br)cc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000747361978 735558568 /nfs/dbraw/zinc/55/85/68/735558568.db2.gz GXRZNDOFOWNMOK-QGMBQPNBSA-N -1 3 365.227 2.978 20 30 FFEDHM O=C(c1cncc(I)c1)N([O-])Cc1ccc(F)cc1 ZINC000900094953 735600963 /nfs/dbraw/zinc/60/09/63/735600963.db2.gz VLQROYCRSRPRDT-UHFFFAOYSA-N -1 3 372.137 2.857 20 30 FFEDHM N#C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(Br)cc1 ZINC000900112237 735603451 /nfs/dbraw/zinc/60/34/51/735603451.db2.gz VAEHEKKYZFMADR-ZDUSSCGKSA-N -1 3 373.210 2.817 20 30 FFEDHM CCOC(=O)c1csc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)n1 ZINC000900682158 735679390 /nfs/dbraw/zinc/67/93/90/735679390.db2.gz ZEHMQRYCRBJFRO-UHFFFAOYSA-N -1 3 365.361 2.600 20 30 FFEDHM CC(C)n1ncc2cc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)ccc21 ZINC000901772164 735836731 /nfs/dbraw/zinc/83/67/31/735836731.db2.gz MCPOVSCQIGZGKI-CYBMUJFWSA-N -1 3 360.361 2.740 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cnc(-c2ccccn2)s1 ZINC000753166244 736042713 /nfs/dbraw/zinc/04/27/13/736042713.db2.gz CQYGYXYTKSVPSD-UHFFFAOYSA-N -1 3 372.475 2.701 20 30 FFEDHM O=C(CSCC(=O)N1CCCCC1)N([O-])Cc1ccccc1Cl ZINC000904187885 736231848 /nfs/dbraw/zinc/23/18/48/736231848.db2.gz VXGJSWHHPCMJQM-UHFFFAOYSA-N -1 3 356.875 2.804 20 30 FFEDHM Cc1csc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)n1 ZINC000755544594 736260929 /nfs/dbraw/zinc/26/09/29/736260929.db2.gz YVODIUDVXDOULQ-GFCCVEGCSA-N -1 3 359.436 2.726 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)o2)c(F)c1 ZINC000759021093 736541738 /nfs/dbraw/zinc/54/17/38/736541738.db2.gz NVBBMNMRWPBNBC-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM C=CCN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC000908945135 736862246 /nfs/dbraw/zinc/86/22/46/736862246.db2.gz BBOCEIQECGJNLD-HNNXBMFYSA-N -1 3 369.824 2.554 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C(C)C)C(C)C)ccc1F ZINC000770662008 737650011 /nfs/dbraw/zinc/65/00/11/737650011.db2.gz SBAOMGMCPFHCEI-UHFFFAOYSA-N -1 3 356.463 2.700 20 30 FFEDHM CCOc1cc(C=NNS(=O)(=O)c2ccccc2)cc(Cl)c1[O-] ZINC000916268656 737691169 /nfs/dbraw/zinc/69/11/69/737691169.db2.gz ZYDZLNHQFNBFQD-UHFFFAOYSA-N -1 3 354.815 2.757 20 30 FFEDHM CC/C=C/COC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000918502227 737807563 /nfs/dbraw/zinc/80/75/63/737807563.db2.gz DKPSKOILSSXBLY-BOSPYUDASA-N -1 3 364.467 2.793 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000920383027 737904413 /nfs/dbraw/zinc/90/44/13/737904413.db2.gz FDYLTGAXLJLKHR-UHFFFAOYSA-N -1 3 354.435 2.716 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)[C@H](C)C(C)C)ccc1F ZINC000921293973 737957869 /nfs/dbraw/zinc/95/78/69/737957869.db2.gz BEZIQJIPPCHPOM-CYBMUJFWSA-N -1 3 356.463 2.797 20 30 FFEDHM N#CCc1ccc(CS(=O)(=O)[N-][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000921317963 737960015 /nfs/dbraw/zinc/96/00/15/737960015.db2.gz MKPUJXJNSHSBPV-FUHWJXTLSA-N -1 3 360.410 2.644 20 30 FFEDHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)Cc1ccc(C#N)cc1 ZINC000921447458 737985825 /nfs/dbraw/zinc/98/58/25/737985825.db2.gz JGKWZKJKHNENJS-HSZRJFAPSA-N -1 3 371.528 2.610 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCC(C)(C)C#N)ccc1F ZINC000776373919 738188255 /nfs/dbraw/zinc/18/82/55/738188255.db2.gz SOYFNVJKCUQQBC-UHFFFAOYSA-N -1 3 370.446 2.999 20 30 FFEDHM C=CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1O ZINC000785404201 738961370 /nfs/dbraw/zinc/96/13/70/738961370.db2.gz IGZWNRUTNWRPQJ-UHFFFAOYSA-N -1 3 363.391 2.544 20 30 FFEDHM COc1ccc(C=NNCCc2ccncc2)c(Br)c1[O-] ZINC000789098230 739315817 /nfs/dbraw/zinc/31/58/17/739315817.db2.gz QTJKDZXYVBDNLI-UHFFFAOYSA-N -1 3 350.216 2.725 20 30 FFEDHM Cc1cc(=O)[n-]c(NNC=C2CC(F)(F)CN2C(=O)OC(C)(C)C)n1 ZINC000792870887 739714417 /nfs/dbraw/zinc/71/44/17/739714417.db2.gz UHEWMMDABQGGAU-SNVBAGLBSA-N -1 3 357.361 2.533 20 30 FFEDHM CCc1cc2c(CSc3nnc(CC#N)n3C)cc(=O)oc2cc1[O-] ZINC000794471756 739895556 /nfs/dbraw/zinc/89/55/56/739895556.db2.gz UPNMFUFSABZQRC-UHFFFAOYSA-N -1 3 356.407 2.548 20 30 FFEDHM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(F)cc1F ZINC000794582182 739907275 /nfs/dbraw/zinc/90/72/75/739907275.db2.gz SZDOLLOZVGTSFN-UHFFFAOYSA-N -1 3 365.361 2.790 20 30 FFEDHM CC(C)[C@@H](C#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796675707 740170225 /nfs/dbraw/zinc/17/02/25/740170225.db2.gz QRXWASSBOOBQNU-GFCCVEGCSA-N -1 3 364.345 2.782 20 30 FFEDHM C#Cc1cncc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000806817247 741086650 /nfs/dbraw/zinc/08/66/50/741086650.db2.gz SZYDWEWROZCGAG-UHFFFAOYSA-N -1 3 364.142 2.625 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1nnc2ccccc2n1 ZINC000810532953 741425383 /nfs/dbraw/zinc/42/53/83/741425383.db2.gz WXHGLDHSWXNISQ-JTQLQIEISA-N -1 3 351.753 2.639 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000811188829 741491909 /nfs/dbraw/zinc/49/19/09/741491909.db2.gz ZLYKMSNRYKFWBO-INIZCTEOSA-N -1 3 356.765 2.880 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000814421174 741825282 /nfs/dbraw/zinc/82/52/82/741825282.db2.gz GPNDBWPUXIMAPJ-UHFFFAOYSA-N -1 3 354.447 2.599 20 30 FFEDHM COC(=O)c1cc(C(=O)OCc2ccc(Br)cc2C#N)c[n-]1 ZINC000814530629 741839864 /nfs/dbraw/zinc/83/98/64/741839864.db2.gz WRRCEQHUJXNCDV-UHFFFAOYSA-N -1 3 363.167 2.792 20 30 FFEDHM CCc1nocc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000814741818 741861071 /nfs/dbraw/zinc/86/10/71/741861071.db2.gz PZHBQSUKQUPQDC-CQSZACIVSA-N -1 3 357.395 2.512 20 30 FFEDHM Cc1cc(Br)cc(C=Nn2c(C)cc(C)c(C#N)c2=O)c1[O-] ZINC000814773895 741863411 /nfs/dbraw/zinc/86/34/11/741863411.db2.gz PXPDRPYNTDDDIU-UHFFFAOYSA-N -1 3 360.211 2.996 20 30 FFEDHM COCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000814816845 741867491 /nfs/dbraw/zinc/86/74/91/741867491.db2.gz YRZSZCOPRHHHMD-UHFFFAOYSA-N -1 3 352.843 2.810 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccc(Br)o1 ZINC000814860992 741870266 /nfs/dbraw/zinc/87/02/66/741870266.db2.gz WLJLKGNXFIFZSE-UHFFFAOYSA-N -1 3 357.229 2.538 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000816696587 742053792 /nfs/dbraw/zinc/05/37/92/742053792.db2.gz BPVRRMZYQUKEMF-HNNXBMFYSA-N -1 3 360.797 2.639 20 30 FFEDHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816753355 742059134 /nfs/dbraw/zinc/05/91/34/742059134.db2.gz GSJJSFMVXVUMNS-LBPRGKRZSA-N -1 3 365.842 2.882 20 30 FFEDHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816756965 742059611 /nfs/dbraw/zinc/05/96/11/742059611.db2.gz JOJQNFYJVOODJN-GZMMTYOYSA-N -1 3 363.266 2.970 20 30 FFEDHM C[C@H](CC(=O)O[C@H]1CCC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000820405107 742502781 /nfs/dbraw/zinc/50/27/81/742502781.db2.gz HPGYNKCFKIKBKY-OLZOCXBDSA-N -1 3 364.467 2.626 20 30 FFEDHM O=C(/C=C\c1cc(C(F)(F)F)ccc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000820471255 742508922 /nfs/dbraw/zinc/50/89/22/742508922.db2.gz QPBMNDCRABPZGN-RYBZSIHZSA-N -1 3 362.735 2.868 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000820482450 742510610 /nfs/dbraw/zinc/51/06/10/742510610.db2.gz KDOUEHMHNJJVBL-OAHLLOKOSA-N -1 3 350.846 2.939 20 30 FFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)OCC ZINC000832551095 745717997 /nfs/dbraw/zinc/71/79/97/745717997.db2.gz YQMGEBQAVUNGJR-LLVKDONJSA-N -1 3 367.254 2.565 20 30 FFEDHM C=CCC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1 ZINC000836956561 746337837 /nfs/dbraw/zinc/33/78/37/746337837.db2.gz IMNNKRAOBVGLRF-UHFFFAOYSA-N -1 3 352.456 2.773 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)(C)C[C@@H]2C)ccc1F ZINC000840531162 747117801 /nfs/dbraw/zinc/11/78/01/747117801.db2.gz DBCZQJUDMLVKHL-LBPRGKRZSA-N -1 3 354.447 2.551 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000846545073 748499697 /nfs/dbraw/zinc/49/96/97/748499697.db2.gz DSTFCQPVYBEFEK-HIFRSBDPSA-N -1 3 363.483 2.561 20 30 FFEDHM C[C@H](CC(=O)O[C@H](C)C1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000847802628 748784496 /nfs/dbraw/zinc/78/44/96/748784496.db2.gz YRSQGIVDVCOOFX-CHWSQXEVSA-N -1 3 364.467 2.626 20 30 FFEDHM C[C@@H](OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CCCC1 ZINC000847802629 748784798 /nfs/dbraw/zinc/78/47/98/748784798.db2.gz YRSQGIVDVCOOFX-QWHCGFSZSA-N -1 3 364.467 2.626 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000848136171 748851140 /nfs/dbraw/zinc/85/11/40/748851140.db2.gz LFIRNLOIEWFEMS-OSNAKNMZSA-N -1 3 360.376 2.632 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000848136028 748851406 /nfs/dbraw/zinc/85/14/06/748851406.db2.gz RSTWRAFLRROAJR-SNVBAGLBSA-N -1 3 367.377 2.858 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCC2CCCC2)ccc1F ZINC000105921548 845622535 /nfs/dbraw/zinc/62/25/35/845622535.db2.gz UOTKMANUCWHGTK-UHFFFAOYSA-N -1 3 368.474 2.990 20 30 FFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccccn2)n1 ZINC000819719133 945274468 /nfs/dbraw/zinc/27/44/68/945274468.db2.gz ZYCGTXMLVFMUQI-UHFFFAOYSA-N -1 3 362.422 2.509 20 30 FFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccn2)n1 ZINC000819719133 945274482 /nfs/dbraw/zinc/27/44/82/945274482.db2.gz ZYCGTXMLVFMUQI-UHFFFAOYSA-N -1 3 362.422 2.509 20 30 FFEDHM COc1ccc(CCC(=O)[N-]OCCOc2ccc(C#N)cc2OC)cc1 ZINC000871798574 1013065774 /nfs/dbraw/zinc/06/57/74/1013065774.db2.gz ZVGCJJIWXXMCQS-UHFFFAOYSA-N -1 3 370.405 2.635 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894907 946507525 /nfs/dbraw/zinc/50/75/25/946507525.db2.gz ZLXYZCHHCNCGCA-HNNXBMFYSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894907 946507533 /nfs/dbraw/zinc/50/75/33/946507533.db2.gz ZLXYZCHHCNCGCA-HNNXBMFYSA-N -1 3 372.473 2.770 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823903504 946509178 /nfs/dbraw/zinc/50/91/78/946509178.db2.gz BXMQUUKSKTWFLX-AWEZNQCLSA-N -1 3 366.425 2.961 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823903504 946509185 /nfs/dbraw/zinc/50/91/85/946509185.db2.gz BXMQUUKSKTWFLX-AWEZNQCLSA-N -1 3 366.425 2.961 20 30 FFEDHM C#CC[C@@H](CCOC)Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001573279502 946640722 /nfs/dbraw/zinc/64/07/22/946640722.db2.gz IJXDOOPVNWKGDA-VIFPVBQESA-N -1 3 368.210 2.609 20 30 FFEDHM C#CC[C@@H](CCOC)Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001573279502 946640731 /nfs/dbraw/zinc/64/07/31/946640731.db2.gz IJXDOOPVNWKGDA-VIFPVBQESA-N -1 3 368.210 2.609 20 30 FFEDHM C#Cc1cccc(CNC(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001573290776 946909739 /nfs/dbraw/zinc/90/97/39/946909739.db2.gz PDXPLDAEQOISHO-LJQANCHMSA-N -1 3 372.432 2.725 20 30 FFEDHM C#Cc1cccc(CNC(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001573290776 946909746 /nfs/dbraw/zinc/90/97/46/946909746.db2.gz PDXPLDAEQOISHO-LJQANCHMSA-N -1 3 372.432 2.725 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000824756987 946928621 /nfs/dbraw/zinc/92/86/21/946928621.db2.gz STHRBOVQMKGNMZ-MLGOLLRUSA-N -1 3 355.398 2.650 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000824756987 946928629 /nfs/dbraw/zinc/92/86/29/946928629.db2.gz STHRBOVQMKGNMZ-MLGOLLRUSA-N -1 3 355.398 2.650 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000824756983 946929249 /nfs/dbraw/zinc/92/92/49/946929249.db2.gz STHRBOVQMKGNMZ-BLLLJJGKSA-N -1 3 355.398 2.650 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000824756983 946929258 /nfs/dbraw/zinc/92/92/58/946929258.db2.gz STHRBOVQMKGNMZ-BLLLJJGKSA-N -1 3 355.398 2.650 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001573293748 946967449 /nfs/dbraw/zinc/96/74/49/946967449.db2.gz ILUFLYRCDLGGSZ-CVEARBPZSA-N -1 3 362.441 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H]2CCC[C@@H]21 ZINC001573293748 946967455 /nfs/dbraw/zinc/96/74/55/946967455.db2.gz ILUFLYRCDLGGSZ-CVEARBPZSA-N -1 3 362.441 2.690 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573304657 947141037 /nfs/dbraw/zinc/14/10/37/947141037.db2.gz DUAWEYOPYBDMKO-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573304657 947141046 /nfs/dbraw/zinc/14/10/46/947141046.db2.gz DUAWEYOPYBDMKO-CYBMUJFWSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573305103 947148464 /nfs/dbraw/zinc/14/84/64/947148464.db2.gz AAJVOMXIFKBTTL-UHFFFAOYSA-N -1 3 364.247 2.961 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573305103 947148472 /nfs/dbraw/zinc/14/84/72/947148472.db2.gz AAJVOMXIFKBTTL-UHFFFAOYSA-N -1 3 364.247 2.961 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(CC)c1cccc(F)c1-c1nnn[n-]1 ZINC001573319019 947322768 /nfs/dbraw/zinc/32/27/68/947322768.db2.gz JFTAHOIWFVBZOO-UHFFFAOYSA-N -1 3 360.437 2.551 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(CC)c1cccc(F)c1-c1nn[n-]n1 ZINC001573319019 947322780 /nfs/dbraw/zinc/32/27/80/947322780.db2.gz JFTAHOIWFVBZOO-UHFFFAOYSA-N -1 3 360.437 2.551 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573319163 947324927 /nfs/dbraw/zinc/32/49/27/947324927.db2.gz LCNBCKUABRBGCM-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573319163 947324945 /nfs/dbraw/zinc/32/49/45/947324945.db2.gz LCNBCKUABRBGCM-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](C)ONC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001573320526 947350305 /nfs/dbraw/zinc/35/03/05/947350305.db2.gz YNVRYLTYYZBBIO-LBPRGKRZSA-N -1 3 351.366 2.895 20 30 FFEDHM C=C[C@H](C)ONC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001573320526 947350313 /nfs/dbraw/zinc/35/03/13/947350313.db2.gz YNVRYLTYYZBBIO-LBPRGKRZSA-N -1 3 351.366 2.895 20 30 FFEDHM CN(CCC#N)c1ccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825915263 947373292 /nfs/dbraw/zinc/37/32/92/947373292.db2.gz WBXJUAPIKOCCMH-UHFFFAOYSA-N -1 3 351.389 2.968 20 30 FFEDHM CN(CCC#N)c1ccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825915263 947373300 /nfs/dbraw/zinc/37/33/00/947373300.db2.gz WBXJUAPIKOCCMH-UHFFFAOYSA-N -1 3 351.389 2.968 20 30 FFEDHM C=CCCCC(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573333843 947442492 /nfs/dbraw/zinc/44/24/92/947442492.db2.gz GOQGDYUAWNBQNP-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM C=CCCCC(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573333843 947442500 /nfs/dbraw/zinc/44/25/00/947442500.db2.gz GOQGDYUAWNBQNP-UHFFFAOYSA-N -1 3 369.473 2.659 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OCCOc1ccccc1-c1nnn[n-]1 ZINC000826176924 947547104 /nfs/dbraw/zinc/54/71/04/947547104.db2.gz KDPUZHPFPKAVDY-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM COc1cc(C#N)cc(Cl)c1OCCOc1ccccc1-c1nn[n-]n1 ZINC000826176924 947547110 /nfs/dbraw/zinc/54/71/10/947547110.db2.gz KDPUZHPFPKAVDY-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(C(C)(C)C)n1 ZINC000826360100 948117178 /nfs/dbraw/zinc/11/71/78/948117178.db2.gz XNSVYTINFRLYCL-SOFGYWHQSA-N -1 3 354.389 2.933 20 30 FFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(C(C)(C)C)n1 ZINC000826360100 948117182 /nfs/dbraw/zinc/11/71/82/948117182.db2.gz XNSVYTINFRLYCL-SOFGYWHQSA-N -1 3 354.389 2.933 20 30 FFEDHM N#CC1(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000826380210 948175741 /nfs/dbraw/zinc/17/57/41/948175741.db2.gz RDKTVRPWEFIFCQ-UHFFFAOYSA-N -1 3 362.349 2.515 20 30 FFEDHM N#CC1(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000826380210 948175747 /nfs/dbraw/zinc/17/57/47/948175747.db2.gz RDKTVRPWEFIFCQ-UHFFFAOYSA-N -1 3 362.349 2.515 20 30 FFEDHM N#CCc1ccc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000826382741 948179782 /nfs/dbraw/zinc/17/97/82/948179782.db2.gz SFFOZTCRPIDGFL-UHFFFAOYSA-N -1 3 355.304 2.568 20 30 FFEDHM N#CCc1ccc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000826382741 948179787 /nfs/dbraw/zinc/17/97/87/948179787.db2.gz SFFOZTCRPIDGFL-UHFFFAOYSA-N -1 3 355.304 2.568 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475396 948376154 /nfs/dbraw/zinc/37/61/54/948376154.db2.gz FHLFONUUDLRQSZ-VZUCSPMQSA-N -1 3 367.296 2.573 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475396 948376157 /nfs/dbraw/zinc/37/61/57/948376157.db2.gz FHLFONUUDLRQSZ-VZUCSPMQSA-N -1 3 367.296 2.573 20 30 FFEDHM N#Cc1cc(Cl)nc(-n2[n-]c3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000871954366 1013122099 /nfs/dbraw/zinc/12/20/99/1013122099.db2.gz IPPUDUPNBPBUJP-HNNXBMFYSA-N -1 3 365.824 2.831 20 30 FFEDHM C#CC(C)(C)C(=O)NC12CC(C(=O)Nc3nc4c(cccc4[O-])s3)(C1)C2 ZINC001276014885 1013288004 /nfs/dbraw/zinc/28/80/04/1013288004.db2.gz WBLNTSZMMYBMPY-UHFFFAOYSA-N -1 3 369.446 2.639 20 30 FFEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)cc1 ZINC000134161827 962388393 /nfs/dbraw/zinc/38/83/93/962388393.db2.gz FSYQEVKGRLYAHN-AWEZNQCLSA-N -1 3 371.343 2.628 20 30 FFEDHM CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000011077891 1013348227 /nfs/dbraw/zinc/34/82/27/1013348227.db2.gz PDHYAXJALXJRHY-UHFFFAOYSA-N -1 3 368.389 2.895 20 30 FFEDHM COc1ccc(Cn2cc(CC(=O)Nc3ccc([O-])c(C#N)c3)cn2)cc1 ZINC001175206536 1013404512 /nfs/dbraw/zinc/40/45/12/1013404512.db2.gz BIYDPSSXOOFQFQ-UHFFFAOYSA-N -1 3 362.389 2.698 20 30 FFEDHM COc1cnc([C@@H]2CCCN2CCCOc2ccc(C#N)cc2)[n-]c1=O ZINC000934276369 966188980 /nfs/dbraw/zinc/18/89/80/966188980.db2.gz MDJCEBUAAQFVQV-INIZCTEOSA-N -1 3 354.410 2.668 20 30 FFEDHM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(C#N)c(F)c1 ZINC001087552042 968082805 /nfs/dbraw/zinc/08/28/05/968082805.db2.gz JAWTWEQXNZUIIN-DLBZAZTESA-N -1 3 368.412 2.581 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000122213760 969834898 /nfs/dbraw/zinc/83/48/98/969834898.db2.gz IGOITFYOABBYDD-INIZCTEOSA-N -1 3 373.416 2.559 20 30 FFEDHM C=C(C)CONC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000875697756 1014064125 /nfs/dbraw/zinc/06/41/25/1014064125.db2.gz OGNYXFLSBSJOIK-LBPRGKRZSA-N -1 3 371.359 2.876 20 30 FFEDHM Cc1ccc(C(=O)N2CCCC[C@@]23CC(=O)N(CCCC#N)C3)c([O-])c1 ZINC001271851428 979151533 /nfs/dbraw/zinc/15/15/33/979151533.db2.gz WSHBGAUUCRTNHG-FQEVSTJZSA-N -1 3 355.438 2.602 20 30 FFEDHM COC(=O)c1cncc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c1 ZINC000760184868 980186247 /nfs/dbraw/zinc/18/62/47/980186247.db2.gz WJRJKQYWPKIFEQ-QGZVFWFLSA-N -1 3 373.368 2.983 20 30 FFEDHM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)c1 ZINC000760197821 980202064 /nfs/dbraw/zinc/20/20/64/980202064.db2.gz NPLDFDFHYYDKHZ-MRXNPFEDSA-N -1 3 351.362 2.528 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000127485263 980237522 /nfs/dbraw/zinc/23/75/22/980237522.db2.gz NSPRDWKPJCZZMZ-AWEZNQCLSA-N -1 3 353.334 2.873 20 30 FFEDHM C=CCCC[C@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908809005 981541947 /nfs/dbraw/zinc/54/19/47/981541947.db2.gz OLDABQFXRVKJFR-SFHVURJKSA-N -1 3 373.497 2.932 20 30 FFEDHM C=CCN1CCC(NC(=O)N(CC(=O)[O-])[C@H](CC)c2ccccc2)CC1 ZINC000908946192 981574970 /nfs/dbraw/zinc/57/49/70/981574970.db2.gz OYMFIJNPNIRSGO-GOSISDBHSA-N -1 3 359.470 2.884 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])CC1 ZINC000908946580 981576001 /nfs/dbraw/zinc/57/60/01/981576001.db2.gz UMGRGEMWKPQUEJ-SFHVURJKSA-N -1 3 357.454 2.561 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000908999502 981590919 /nfs/dbraw/zinc/59/09/19/981590919.db2.gz ZIJJJACTEQIULO-ZWKOTPCHSA-N -1 3 359.470 2.760 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCCO3)cc1 ZINC000763932564 983948539 /nfs/dbraw/zinc/94/85/39/983948539.db2.gz SONAXJKLADIFBO-MRXNPFEDSA-N -1 3 366.421 2.969 20 30 FFEDHM C=C1CC(C)(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3ccccc3[O-])C2)C1 ZINC001007082642 1015077842 /nfs/dbraw/zinc/07/78/42/1015077842.db2.gz AMQLRWGNKNBGTD-BTYIYWSLSA-N -1 3 354.450 2.859 20 30 FFEDHM COCCc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000060951859 985090620 /nfs/dbraw/zinc/09/06/20/985090620.db2.gz DFVCNLSXPZCACF-UHFFFAOYSA-N -1 3 354.406 2.591 20 30 FFEDHM Cc1[nH]c(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001599962427 985814420 /nfs/dbraw/zinc/81/44/20/985814420.db2.gz HOZXAKUIRGXXOH-UHFFFAOYSA-N -1 3 352.438 2.601 20 30 FFEDHM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000916899806 990015883 /nfs/dbraw/zinc/01/58/83/990015883.db2.gz RPUIMJKHPAGVDJ-MRXNPFEDSA-N -1 3 360.373 2.842 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1cccc(C)c1 ZINC000917508065 990234336 /nfs/dbraw/zinc/23/43/36/990234336.db2.gz JDFLRBQBERWFOO-MRXNPFEDSA-N -1 3 359.389 2.845 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=c1sc2ccccc2n1C ZINC000921233777 991019534 /nfs/dbraw/zinc/01/95/34/991019534.db2.gz ANKFSYLBAZAOHY-UHFFFAOYSA-N -1 3 366.446 2.889 20 30 FFEDHM COc1cccc2c(C(=O)OCCOc3ccc(C#N)cc3OC)n[n-]c21 ZINC000808674020 994214973 /nfs/dbraw/zinc/21/49/73/994214973.db2.gz YKYPAOSFMGRKGS-UHFFFAOYSA-N -1 3 367.361 2.688 20 30 FFEDHM COc1cccc2c(C(=O)OCCOc3ccc(C#N)cc3OC)[n-]nc21 ZINC000808674020 994214984 /nfs/dbraw/zinc/21/49/84/994214984.db2.gz YKYPAOSFMGRKGS-UHFFFAOYSA-N -1 3 367.361 2.688 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCO3)cc1 ZINC000810531534 994813999 /nfs/dbraw/zinc/81/39/99/994813999.db2.gz MVPBQVORAPLWOX-HNNXBMFYSA-N -1 3 352.394 2.579 20 30 FFEDHM COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000811185394 995052249 /nfs/dbraw/zinc/05/22/49/995052249.db2.gz KQRAKTIIOYVQQT-LLVKDONJSA-N -1 3 355.346 2.709 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000811184595 995052633 /nfs/dbraw/zinc/05/26/33/995052633.db2.gz RFTRBTGYJSDZND-UHFFFAOYSA-N -1 3 362.288 2.661 20 30 FFEDHM CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187225 995053690 /nfs/dbraw/zinc/05/36/90/995053690.db2.gz CAQCZQKRWFRPKW-LBPRGKRZSA-N -1 3 352.346 2.650 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc2c[nH]nc2c1 ZINC000747755548 995311437 /nfs/dbraw/zinc/31/14/37/995311437.db2.gz DRVDMUJGMMJOSS-UHFFFAOYSA-N -1 3 350.378 2.828 20 30 FFEDHM C#CC[C@H]1CCCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000843998975 997596079 /nfs/dbraw/zinc/59/60/79/997596079.db2.gz KMZKLIRWKFPSPX-AWEZNQCLSA-N -1 3 367.405 2.816 20 30 FFEDHM COc1cc(/C=C/C(=O)N([O-])C(=N)c2ccccc2N)cc(OC)c1OC ZINC001143769767 997646657 /nfs/dbraw/zinc/64/66/57/997646657.db2.gz MQXUGDYUCSJTSP-UIYOAVFXSA-N -1 3 371.393 2.551 20 30 FFEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(COC3CCOCC3)c2)c1[O-] ZINC000731936882 998362366 /nfs/dbraw/zinc/36/23/66/998362366.db2.gz BMWTVKUFUKNNKR-WSDLNYQXSA-N -1 3 370.449 2.903 20 30 FFEDHM C[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)n1nnnc1C(C)(C)C ZINC000845847274 998679238 /nfs/dbraw/zinc/67/92/38/998679238.db2.gz ZUINOAQUVBBPAT-DZGCQCFKSA-N -1 3 365.437 2.541 20 30 FFEDHM COC(=O)c1cccc(CN[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1C#N ZINC001598996222 998782023 /nfs/dbraw/zinc/78/20/23/998782023.db2.gz QGHUOAHIOOSTMW-KDOFPFPSSA-N -1 3 366.417 2.766 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000733809671 999075240 /nfs/dbraw/zinc/07/52/40/999075240.db2.gz CJTNSODMTQHUIB-MRXNPFEDSA-N -1 3 367.405 2.962 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000743045694 999797197 /nfs/dbraw/zinc/79/71/97/999797197.db2.gz UFXSBBFEGKECFH-SJGMLKTKSA-N -1 3 356.357 2.957 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2nc(-c3cccc(F)c3)no2)c1[O-] ZINC000743045695 999797210 /nfs/dbraw/zinc/79/72/10/999797210.db2.gz UFXSBBFEGKECFH-WRKJMESSSA-N -1 3 356.357 2.957 20 30 FFEDHM CCOc1cc(C=NN2CC(=O)[N-]C2=O)ccc1OCc1ccccc1 ZINC000744810736 999874454 /nfs/dbraw/zinc/87/44/54/999874454.db2.gz XDKKBOPGXFKSCW-UHFFFAOYSA-N -1 3 353.378 2.550 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)cc1F ZINC000768767163 1000333592 /nfs/dbraw/zinc/33/35/92/1000333592.db2.gz ZSSFCQKZVOEQSK-ZDUSSCGKSA-N -1 3 370.336 2.582 20 30 FFEDHM C=C(C)CN1CC2(CN(Cc3c(Cl)cc([O-])cc3Cl)C2)OCC1=O ZINC001276165723 1016443556 /nfs/dbraw/zinc/44/35/56/1016443556.db2.gz FSNLBLUQZHLNQU-UHFFFAOYSA-N -1 3 371.264 2.688 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncc(Cl)c(-c2c[nH]c3ccccc32)n1 ZINC001171364041 1001722886 /nfs/dbraw/zinc/72/28/86/1001722886.db2.gz UPDPJJKISJMHHU-XPTSAGLGSA-N -1 3 357.801 2.926 20 30 FFEDHM Cc1cc(Br)cc2ccc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)nc12 ZINC001171369769 1001981974 /nfs/dbraw/zinc/98/19/74/1001981974.db2.gz ZMNVJVAFKPJHDN-XPTSAGLGSA-N -1 3 350.216 2.954 20 30 FFEDHM N#CCCn1cc(C(=O)COC(=O)c2cccc3nn[n-]c32)c2ccccc21 ZINC000790073502 1002264758 /nfs/dbraw/zinc/26/47/58/1002264758.db2.gz AKVQQBMLFOYJMB-UHFFFAOYSA-N -1 3 373.372 2.866 20 30 FFEDHM N#CCCn1cc(C(=O)COC(=O)c2cccc3[n-]nnc32)c2ccccc21 ZINC000790073502 1002264767 /nfs/dbraw/zinc/26/47/67/1002264767.db2.gz AKVQQBMLFOYJMB-UHFFFAOYSA-N -1 3 373.372 2.866 20 30 FFEDHM N#CCCn1cc(C(=O)COC(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC000790073502 1002264774 /nfs/dbraw/zinc/26/47/74/1002264774.db2.gz AKVQQBMLFOYJMB-UHFFFAOYSA-N -1 3 373.372 2.866 20 30 FFEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1OC ZINC000790706527 1002466367 /nfs/dbraw/zinc/46/63/67/1002466367.db2.gz RKDIOFSQGSQACK-ZDUSSCGKSA-N -1 3 356.378 2.717 20 30 FFEDHM CCCCN([O-])C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC001184315142 1002556610 /nfs/dbraw/zinc/55/66/10/1002556610.db2.gz RHQAJJAIWGQKPO-UHFFFAOYSA-N -1 3 350.440 2.526 20 30 FFEDHM C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001186853818 1003433840 /nfs/dbraw/zinc/43/38/40/1003433840.db2.gz GPJJBRKLYRJALP-JGVFFNPUSA-N -1 3 351.819 2.844 20 30 FFEDHM C=CCC[C@H](NCc1cccc(F)c1I)C(=O)[O-] ZINC001330687790 1049272750 /nfs/dbraw/zinc/27/27/50/1049272750.db2.gz OVRKMNJAFNSZFS-NSHDSACASA-N -1 3 363.170 2.939 20 30 FFEDHM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2cccnc2)nc1 ZINC001197465394 1004225901 /nfs/dbraw/zinc/22/59/01/1004225901.db2.gz NFJHGXWCAZFCEU-UHFFFAOYSA-N -1 3 350.403 2.957 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001193139518 1004387783 /nfs/dbraw/zinc/38/77/83/1004387783.db2.gz HSOXDKJFTXAUIR-NSHDSACASA-N -1 3 351.428 2.591 20 30 FFEDHM CCOC(=O)c1cc(F)c(Cl)c([N-]S(=O)(=O)[C@@H](C)C#N)c1Cl ZINC001193151986 1004392639 /nfs/dbraw/zinc/39/26/39/1004392639.db2.gz YBWPRYFDQNDBEL-LURJTMIESA-N -1 3 369.201 2.963 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cccc(C#N)c1[O-])[C@@H]2C ZINC001193643743 1004533065 /nfs/dbraw/zinc/53/30/65/1004533065.db2.gz BWKQTWYTWOXCDH-CQSZACIVSA-N -1 3 367.453 2.518 20 30 FFEDHM CCOC(=O)CCCc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(=O)[nH]1 ZINC001199198769 1004864712 /nfs/dbraw/zinc/86/47/12/1004864712.db2.gz CZPDJCYLNCUQHI-UHFFFAOYSA-N -1 3 369.377 2.503 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cccnc1OC(F)(F)F ZINC001199373210 1004923612 /nfs/dbraw/zinc/92/36/12/1004923612.db2.gz VXYKCGJLAMVFNM-UHFFFAOYSA-N -1 3 371.296 2.952 20 30 FFEDHM COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000776280482 1005346273 /nfs/dbraw/zinc/34/62/73/1005346273.db2.gz RASMXOSJITYCGC-CYBMUJFWSA-N -1 3 370.405 2.929 20 30 FFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(N2CCCC2)cc1O ZINC000748248517 1016971030 /nfs/dbraw/zinc/97/10/30/1016971030.db2.gz HQUSJZKCMKOVEC-UHFFFAOYSA-N -1 3 373.478 2.836 20 30 FFEDHM CCOC(=O)n1nc2c(c1[N-]c1nc(Cl)ccc1C#N)CNC2(C)C ZINC001170753975 1006373600 /nfs/dbraw/zinc/37/36/00/1006373600.db2.gz IFVRJSJQDAYQSV-UHFFFAOYSA-N -1 3 360.805 2.890 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1noc(-c2ccccc2)n1 ZINC001188215141 1006470970 /nfs/dbraw/zinc/47/09/70/1006470970.db2.gz WAOCYFHNVOYLRA-ZDUSSCGKSA-N -1 3 368.418 2.842 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001188884379 1006765983 /nfs/dbraw/zinc/76/59/83/1006765983.db2.gz HPUOEXXIIALKCZ-UWWQBHOKSA-N -1 3 370.497 2.695 20 30 FFEDHM COc1nc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)cc1C ZINC000816327671 1006993517 /nfs/dbraw/zinc/99/35/17/1006993517.db2.gz NOKZSFZLHPLYGH-UHFFFAOYSA-N -1 3 369.421 2.972 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)nc(N2CCCC2)c1 ZINC000112759090 1007013907 /nfs/dbraw/zinc/01/39/07/1007013907.db2.gz MEUAOXCSBXQMRW-ZDUSSCGKSA-N -1 3 369.812 2.691 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855170038 1007152402 /nfs/dbraw/zinc/15/24/02/1007152402.db2.gz IWEGZNDVFUWBBG-SWLSCSKDSA-N -1 3 352.456 2.628 20 30 FFEDHM COc1ccc(-c2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)c(F)c2)cc1 ZINC000816757512 1007192685 /nfs/dbraw/zinc/19/26/85/1007192685.db2.gz UOUCRBNHSIMIMH-QGZVFWFLSA-N -1 3 358.369 2.611 20 30 FFEDHM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000134185827 1007363347 /nfs/dbraw/zinc/36/33/47/1007363347.db2.gz ZSMDBFSNQPWUAW-OAHLLOKOSA-N -1 3 357.373 2.808 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c1 ZINC001190661624 1007723336 /nfs/dbraw/zinc/72/33/36/1007723336.db2.gz ZMNIOFZGENYSLA-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM CCCC[C@](CC)([N-]S(=O)(=O)c1cc(C#N)ccc1F)C(=O)OCC ZINC001190669988 1007725610 /nfs/dbraw/zinc/72/56/10/1007725610.db2.gz DCYJLZJJEBUMQI-KRWDZBQOSA-N -1 3 370.446 2.878 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2nccc(Cl)c2Cl)c1 ZINC001190670756 1007726217 /nfs/dbraw/zinc/72/62/17/1007726217.db2.gz MVTHSTHNQDXXPQ-UHFFFAOYSA-N -1 3 360.197 2.878 20 30 FFEDHM COc1ccc(CC2([N-]S(=O)(=O)c3cc(C#N)ccc3F)CC2)cc1 ZINC001190677442 1007746807 /nfs/dbraw/zinc/74/68/07/1007746807.db2.gz OFWUFNINRIYBJH-UHFFFAOYSA-N -1 3 360.410 2.760 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000857567721 1008160380 /nfs/dbraw/zinc/16/03/80/1008160380.db2.gz GHRTZOGZONRKPI-HNNXBMFYSA-N -1 3 373.453 2.565 20 30 FFEDHM COc1ccc2c(c1)c(C(=O)N[C@@H]1CCN([O-])C1=O)c(C)n2C1CCCC1 ZINC000820180124 1008300733 /nfs/dbraw/zinc/30/07/33/1008300733.db2.gz VXBUZYXJOWXUPZ-MRXNPFEDSA-N -1 3 371.437 2.793 20 30 FFEDHM COc1ccccc1/C=C(/C(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000820471015 1008338831 /nfs/dbraw/zinc/33/88/31/1008338831.db2.gz KZKWWDPPVRHZEG-UMADGWCESA-N -1 3 366.417 2.732 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3[nH]cnc3cc2F)cc1 ZINC000821620015 1008480849 /nfs/dbraw/zinc/48/08/49/1008480849.db2.gz VOVZGNFEHRBFEB-CYBMUJFWSA-N -1 3 352.325 2.672 20 30 FFEDHM N#Cc1ccc(C2(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCCC2)cc1 ZINC000859276726 1008496566 /nfs/dbraw/zinc/49/65/66/1008496566.db2.gz KWHWCUUEGJTNBD-UHFFFAOYSA-N -1 3 372.432 2.867 20 30 FFEDHM N#Cc1ccc(C2(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCCC2)cc1 ZINC000859276726 1008496569 /nfs/dbraw/zinc/49/65/69/1008496569.db2.gz KWHWCUUEGJTNBD-UHFFFAOYSA-N -1 3 372.432 2.867 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1[n-]nc(C)c1C(=O)Nc1ccccc1OC ZINC001170972651 1008502730 /nfs/dbraw/zinc/50/27/30/1008502730.db2.gz FWMCXTRJUJSEPU-ZDUSSCGKSA-N -1 3 372.425 2.899 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1[nH]cnc1C(C)(C)C ZINC000822324021 1008574825 /nfs/dbraw/zinc/57/48/25/1008574825.db2.gz UBAOFKXKJNGABO-UHFFFAOYSA-N -1 3 356.426 2.972 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)nc(C)n1 ZINC000860465060 1009014315 /nfs/dbraw/zinc/01/43/15/1009014315.db2.gz FQKXKENGOQNSAO-HUUCEWRRSA-N -1 3 356.426 2.883 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(C2CCOCC2)n1 ZINC000860469988 1009018192 /nfs/dbraw/zinc/01/81/92/1009018192.db2.gz LYEPPNBMMMHCCF-CYBMUJFWSA-N -1 3 372.812 2.849 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC2(C1)COC(C)(C)C2 ZINC000889736867 1010081687 /nfs/dbraw/zinc/08/16/87/1010081687.db2.gz ZIPVPGDKKBXEQU-UHFFFAOYSA-N -1 3 357.454 2.672 20 30 FFEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cnc(C2CC2)o1 ZINC000863069697 1010104470 /nfs/dbraw/zinc/10/44/70/1010104470.db2.gz JWJLLBRMJDVLCG-CQSZACIVSA-N -1 3 369.406 2.827 20 30 FFEDHM C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000794591354 1010411640 /nfs/dbraw/zinc/41/16/40/1010411640.db2.gz YEKSVCKVVGAJNZ-HNNXBMFYSA-N -1 3 371.462 2.779 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C2CCN(c3ccccc3C#N)CC2)c1[O-] ZINC000864347488 1010452572 /nfs/dbraw/zinc/45/25/72/1010452572.db2.gz RHYLTARUVSOPOO-FMCGGJTJSA-N -1 3 350.422 2.548 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1c2ccccc2CC12CCOCC2 ZINC000794903481 1010950461 /nfs/dbraw/zinc/95/04/61/1010950461.db2.gz KJYLNFSJMPTEQI-UHFFFAOYSA-N -1 3 370.474 2.863 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cnc(F)cc2C)C1=O ZINC000867919228 1011119964 /nfs/dbraw/zinc/11/99/64/1011119964.db2.gz IIGBRYSWBODGKD-SFHVURJKSA-N -1 3 364.421 2.845 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000871288278 1012828266 /nfs/dbraw/zinc/82/82/66/1012828266.db2.gz CZWWREMLLMIDDY-KXBFYZLASA-N -1 3 357.454 2.530 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2OC[C@H]1F ZINC000928090912 1018792357 /nfs/dbraw/zinc/79/23/57/1018792357.db2.gz VIUQCEASMGXYQP-VQIMIIECSA-N -1 3 369.396 2.796 20 30 FFEDHM O=C(c1ccc(=O)n(-c2ccccc2F)n1)N([O-])Cc1ccc(F)cc1 ZINC000901372365 1019013373 /nfs/dbraw/zinc/01/33/73/1019013373.db2.gz CUNVPXQFKWXSKG-UHFFFAOYSA-N -1 3 357.316 2.542 20 30 FFEDHM C#CCCOc1ccc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)cc1 ZINC000901880504 1019544385 /nfs/dbraw/zinc/54/43/85/1019544385.db2.gz WMWJTIWEXZTXGP-UHFFFAOYSA-N -1 3 353.422 2.821 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)OCC ZINC001116570839 1021289195 /nfs/dbraw/zinc/28/91/95/1021289195.db2.gz LBUWHFBBBCTPGK-LLVKDONJSA-N -1 3 369.336 2.631 20 30 FFEDHM CCn1c2ccccc2nc1[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001117687137 1021817273 /nfs/dbraw/zinc/81/72/73/1021817273.db2.gz LCJZYNJWTJMPAW-GFCCVEGCSA-N -1 3 354.435 2.856 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CC(C)C)c1C ZINC000155582179 1022267978 /nfs/dbraw/zinc/26/79/78/1022267978.db2.gz JIDNGWQTAVOSQM-AWEZNQCLSA-N -1 3 354.410 2.817 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CC(C)C)c1C ZINC000155582074 1022268596 /nfs/dbraw/zinc/26/85/96/1022268596.db2.gz JIDNGWQTAVOSQM-CQSZACIVSA-N -1 3 354.410 2.817 20 30 FFEDHM COC(=O)[C@H](CCO)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001218218389 1033054036 /nfs/dbraw/zinc/05/40/36/1033054036.db2.gz JBTZXPMODGJKCT-SFHVURJKSA-N -1 3 356.378 2.800 20 30 FFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1 ZINC000780309122 1022548922 /nfs/dbraw/zinc/54/89/22/1022548922.db2.gz HHICOFQAAPLZOZ-ZDUSSCGKSA-N -1 3 371.780 2.873 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)c1cccc(C#N)c1 ZINC000751650713 1022893731 /nfs/dbraw/zinc/89/37/31/1022893731.db2.gz BXYAAHDGEDRQKN-QGZVFWFLSA-N -1 3 365.345 2.921 20 30 FFEDHM COC(=O)[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)c1cccc(C#N)c1 ZINC000751650713 1022893746 /nfs/dbraw/zinc/89/37/46/1022893746.db2.gz BXYAAHDGEDRQKN-QGZVFWFLSA-N -1 3 365.345 2.921 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCSC(C)(C)C1 ZINC001122395643 1023240433 /nfs/dbraw/zinc/24/04/33/1023240433.db2.gz PVRFCPDTSLXUEC-UHFFFAOYSA-N -1 3 360.487 2.657 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001122566450 1023342761 /nfs/dbraw/zinc/34/27/61/1023342761.db2.gz HCPOJMLVBMXALZ-NSHDSACASA-N -1 3 368.363 2.796 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)c(Cl)c1 ZINC001120614897 1023387341 /nfs/dbraw/zinc/38/73/41/1023387341.db2.gz GADMSEOXLGKMSF-HNNXBMFYSA-N -1 3 369.874 2.914 20 30 FFEDHM [O-]c1ccc(C=NN2C(=S)N=NC2[C@@H]2COc3ccccc3O2)cc1F ZINC000755541728 1023607848 /nfs/dbraw/zinc/60/78/48/1023607848.db2.gz HPENRSOKLNPZRD-HNNXBMFYSA-N -1 3 372.381 2.806 20 30 FFEDHM Oc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cc1F ZINC000755541728 1023607852 /nfs/dbraw/zinc/60/78/52/1023607852.db2.gz HPENRSOKLNPZRD-HNNXBMFYSA-N -1 3 372.381 2.806 20 30 FFEDHM Oc1ccc(F)cc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000755543035 1023608905 /nfs/dbraw/zinc/60/89/05/1023608905.db2.gz PNKXWPJKHXDLNM-HNNXBMFYSA-N -1 3 372.381 2.806 20 30 FFEDHM Cn1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000755672952 1023622576 /nfs/dbraw/zinc/62/25/76/1023622576.db2.gz FTTLWGPFWDBEJI-UHFFFAOYSA-N -1 3 372.406 2.540 20 30 FFEDHM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001121601983 1023873868 /nfs/dbraw/zinc/87/38/68/1023873868.db2.gz LJRAMCFLSGXKIA-KRWDZBQOSA-N -1 3 374.395 2.740 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001121716200 1023942901 /nfs/dbraw/zinc/94/29/01/1023942901.db2.gz CHMMJIVCIUGGTF-SNVBAGLBSA-N -1 3 359.821 2.806 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001121716200 1023942909 /nfs/dbraw/zinc/94/29/09/1023942909.db2.gz CHMMJIVCIUGGTF-SNVBAGLBSA-N -1 3 359.821 2.806 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837640114 1025937437 /nfs/dbraw/zinc/93/74/37/1025937437.db2.gz LUURJXKNIHWOQR-UHFFFAOYSA-N -1 3 356.378 2.990 20 30 FFEDHM C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001158530494 1027053588 /nfs/dbraw/zinc/05/35/88/1027053588.db2.gz GTDXSSRGXCRRIJ-LBPRGKRZSA-N -1 3 363.414 2.745 20 30 FFEDHM N#CCCN(CCC#N)C(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153877953 1028038645 /nfs/dbraw/zinc/03/86/45/1028038645.db2.gz YRXWPYVCOGLUBT-UHFFFAOYSA-N -1 3 373.210 2.560 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3ccc(C(C)(C)C#N)nc3)[n-]nc21 ZINC001154142261 1028163527 /nfs/dbraw/zinc/16/35/27/1028163527.db2.gz SZGBHEHLIHQLQZ-UHFFFAOYSA-N -1 3 363.377 2.798 20 30 FFEDHM COC(=O)c1cccc2c(C(=O)Nc3ccc(C(C)(C)C#N)nc3)n[n-]c21 ZINC001154142261 1028163532 /nfs/dbraw/zinc/16/35/32/1028163532.db2.gz SZGBHEHLIHQLQZ-UHFFFAOYSA-N -1 3 363.377 2.798 20 30 FFEDHM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1cccc2nccn21 ZINC001154526453 1028336621 /nfs/dbraw/zinc/33/66/21/1028336621.db2.gz RWNVCRFOJZBEEI-UHFFFAOYSA-N -1 3 364.283 2.799 20 30 FFEDHM COc1cccc2c1CC[C@H](NC(=O)c1cc(=O)c3cc(C#N)ccc3[n-]1)C2 ZINC001154559509 1028353801 /nfs/dbraw/zinc/35/38/01/1028353801.db2.gz MWYQAMZKMJTDNM-HNNXBMFYSA-N -1 3 373.412 2.696 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCOC[C@@H]2c2cccnc2)n1 ZINC001156234774 1029105581 /nfs/dbraw/zinc/10/55/81/1029105581.db2.gz BWMPNYRMLQZDAW-VGTRTNLYSA-N -1 3 365.846 2.633 20 30 FFEDHM N#Cc1cc(NC(=O)c2c[nH]c3ncc(Br)nc23)ccc1[O-] ZINC001156784820 1029346239 /nfs/dbraw/zinc/34/62/39/1029346239.db2.gz UNQZMJADCRPBOR-UHFFFAOYSA-N -1 3 358.155 2.550 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)O[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000783375394 1030063496 /nfs/dbraw/zinc/06/34/96/1030063496.db2.gz NNELSJXNJHQJOB-AWEZNQCLSA-N -1 3 352.390 2.997 20 30 FFEDHM C#CCOc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783858620 1030308929 /nfs/dbraw/zinc/30/89/29/1030308929.db2.gz PFHCTKBIHGQEOA-UHFFFAOYSA-N -1 3 350.330 2.811 20 30 FFEDHM C=CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(CCCC)cc2)nn1 ZINC000842687540 1030898667 /nfs/dbraw/zinc/89/86/67/1030898667.db2.gz YHGOUVBZYVYZDG-INIZCTEOSA-N -1 3 351.410 2.768 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001142901097 1031017706 /nfs/dbraw/zinc/01/77/06/1031017706.db2.gz RJPWKMOSZSUOOX-NSHDSACASA-N -1 3 356.382 2.643 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001142901097 1031017724 /nfs/dbraw/zinc/01/77/24/1031017724.db2.gz RJPWKMOSZSUOOX-NSHDSACASA-N -1 3 356.382 2.643 20 30 FFEDHM N#CCCCN1CC[C@@]2(CCN(Cc3cc(F)c([O-])c(Cl)c3)C2)C1=O ZINC001276998011 1034011727 /nfs/dbraw/zinc/01/17/27/1034011727.db2.gz BVOGJKNVNQOKNJ-GOSISDBHSA-N -1 3 365.836 2.913 20 30 FFEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599997 1034752417 /nfs/dbraw/zinc/75/24/17/1034752417.db2.gz RRLUUGQIDPLLHV-CQSZACIVSA-N -1 3 360.438 2.690 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(CC3CC3)nn2)cc1 ZINC000835060580 1035496551 /nfs/dbraw/zinc/49/65/51/1035496551.db2.gz BLLSCEFLLYCJPT-QGZVFWFLSA-N -1 3 365.437 2.992 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)COCCN(Cc1cccc(Cl)c1[O-])C2 ZINC001277232727 1035681508 /nfs/dbraw/zinc/68/15/08/1035681508.db2.gz YITUSJQILDPKIE-LJQANCHMSA-N -1 3 364.873 2.673 20 30 FFEDHM CN(Cc1ccco1)[C@@H]1CN(Cc2cc(C#N)ccc2[O-])[C@@H]2CCCO[C@H]12 ZINC001232676745 1035933033 /nfs/dbraw/zinc/93/30/33/1035933033.db2.gz QZTWPGSUDMJCLI-SBHAEUEKSA-N -1 3 367.449 2.721 20 30 FFEDHM CO[C@@H](CN1CCN(Cc2cc(C#N)ccc2[O-])CC1)c1ccccc1 ZINC001232678144 1035935674 /nfs/dbraw/zinc/93/56/74/1035935674.db2.gz QBKUCLDTOMRUCI-NRFANRHFSA-N -1 3 351.450 2.769 20 30 FFEDHM N#Cc1ccc(CN2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c([O-])c1 ZINC001233385133 1036584998 /nfs/dbraw/zinc/58/49/98/1036584998.db2.gz VUDUIXCQVGWDCW-IMFGXOCKSA-N -1 3 365.433 2.717 20 30 FFEDHM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802087 1036769636 /nfs/dbraw/zinc/76/96/36/1036769636.db2.gz GKWYJAXGIFOKKA-JILIBOJISA-N -1 3 355.431 2.727 20 30 FFEDHM CC(C)(C)OC(=O)N1CCO[C@H]2[C@H](Oc3cc([O-])cc(C#N)c3)CC[C@@H]21 ZINC001234141650 1036937897 /nfs/dbraw/zinc/93/78/97/1036937897.db2.gz PYLADBOJQVXXJC-GVDBMIGSSA-N -1 3 360.410 2.810 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229955393 1036999092 /nfs/dbraw/zinc/99/90/92/1036999092.db2.gz VJGBLZWJYPONEQ-OAHLLOKOSA-N -1 3 357.414 2.811 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229955393 1036999106 /nfs/dbraw/zinc/99/91/06/1036999106.db2.gz VJGBLZWJYPONEQ-OAHLLOKOSA-N -1 3 357.414 2.811 20 30 FFEDHM C[C@@H]1C[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CN1C(=O)OC(C)(C)C ZINC001234511156 1037068323 /nfs/dbraw/zinc/06/83/23/1037068323.db2.gz KTQLBOWKVJSWLH-DGCLKSJQSA-N -1 3 370.409 2.984 20 30 FFEDHM C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231448962 1037587985 /nfs/dbraw/zinc/58/79/85/1037587985.db2.gz AZFWWMFIGWZOHE-FQEVSTJZSA-N -1 3 358.438 2.624 20 30 FFEDHM C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231448962 1037587996 /nfs/dbraw/zinc/58/79/96/1037587996.db2.gz AZFWWMFIGWZOHE-FQEVSTJZSA-N -1 3 358.438 2.624 20 30 FFEDHM C=CCOC[C@@H]1c2nnn(C)c2CCN1Cc1ccc2ccccc2c1[O-] ZINC001231879142 1037973624 /nfs/dbraw/zinc/97/36/24/1037973624.db2.gz WVADDPITTAHMNS-LJQANCHMSA-N -1 3 364.449 2.976 20 30 FFEDHM N#Cc1cccc(C(=O)N2CC3(C2)CCN(CCCC(F)(F)F)C3)c1[O-] ZINC001279075223 1039176589 /nfs/dbraw/zinc/17/65/89/1039176589.db2.gz HAATZRZMHAGEJX-UHFFFAOYSA-N -1 3 367.371 2.754 20 30 FFEDHM CCOc1cccc(/C=N/Cc2c(F)cccc2[N-]S(C)(=O)=O)c1O ZINC001252787263 1039704171 /nfs/dbraw/zinc/70/41/71/1039704171.db2.gz ZHBYEXXWEAYGRJ-VXLYETTFSA-N -1 3 366.414 2.921 20 30 FFEDHM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259370357 1039947510 /nfs/dbraw/zinc/94/75/10/1039947510.db2.gz JDVXVVIYIRHZTG-UHFFFAOYSA-N -1 3 356.382 2.992 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cnccc2Br)ccc1F ZINC001259412379 1039983799 /nfs/dbraw/zinc/98/37/99/1039983799.db2.gz FFYROUWHRAFEIE-UHFFFAOYSA-N -1 3 356.176 2.656 20 30 FFEDHM Cc1cn(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2)cn1 ZINC001259418120 1039987913 /nfs/dbraw/zinc/98/79/13/1039987913.db2.gz LWQPJOJFBWIRNB-UHFFFAOYSA-N -1 3 356.382 2.992 20 30 FFEDHM C#CC1CCN(Cc2ccc(OC)c(I)c2[O-])CC1 ZINC001248498662 1040302759 /nfs/dbraw/zinc/30/27/59/1040302759.db2.gz JQSMINURZANMPJ-UHFFFAOYSA-N -1 3 371.218 2.851 20 30 FFEDHM CNC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1Cl ZINC001260044027 1040373773 /nfs/dbraw/zinc/37/37/73/1040373773.db2.gz YBFIXQPUUXDIDG-UHFFFAOYSA-N -1 3 363.826 2.513 20 30 FFEDHM N#Cc1cc(Br)ccc1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001538229991 1070374565 /nfs/dbraw/zinc/37/45/65/1070374565.db2.gz PFGMKEURWRIJFH-UHFFFAOYSA-N -1 3 372.182 2.880 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)OC2(CCCC2)C1 ZINC001263322989 1042240071 /nfs/dbraw/zinc/24/00/71/1042240071.db2.gz CIILMBUDZYOLSV-CYBMUJFWSA-N -1 3 359.430 2.753 20 30 FFEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cn2)C[C@@H](C)O1 ZINC001263379123 1042270992 /nfs/dbraw/zinc/27/09/92/1042270992.db2.gz DDDHMTUHOOONBX-UMVBOHGHSA-N -1 3 354.385 2.719 20 30 FFEDHM N#Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1Cl ZINC001238196759 1043603535 /nfs/dbraw/zinc/60/35/35/1043603535.db2.gz VCHQVIIVFDGVGE-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM COc1ccc(-c2ccc(C)c(NC(=O)N[C@@H]3CCCN([O-])C3=O)c2)cn1 ZINC001310630515 1043715317 /nfs/dbraw/zinc/71/53/17/1043715317.db2.gz IRBDPVDNUGDBCP-OAHLLOKOSA-N -1 3 370.409 2.567 20 30 FFEDHM [O-]c1cc(O)ccc1-c1csc(=NC2CC2)n1N=Cc1ccccn1 ZINC001317755940 1045132093 /nfs/dbraw/zinc/13/20/93/1045132093.db2.gz BWBMFWHAESDNEW-UHFFFAOYSA-N -1 3 352.419 2.968 20 30 FFEDHM C=C[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001321103278 1045546239 /nfs/dbraw/zinc/54/62/39/1045546239.db2.gz KNGUFGLGSQGHPH-SECBINFHSA-N -1 3 354.653 2.582 20 30 FFEDHM COc1ccc([C@H](OC)[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001323367334 1045562814 /nfs/dbraw/zinc/56/28/14/1045562814.db2.gz LADPWFHWAHGDKN-SJKOYZFVSA-N -1 3 360.435 2.510 20 30 FFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001325656824 1046597416 /nfs/dbraw/zinc/59/74/16/1046597416.db2.gz YEMHZJOWMCQOGF-UHFFFAOYSA-N -1 3 355.769 2.972 20 30 FFEDHM C[C@H]1CCc2nc([N-]C(=O)c3cc(-c4ccn(C)n4)on3)c(C#N)cc2C1 ZINC001289756669 1047729375 /nfs/dbraw/zinc/72/93/75/1047729375.db2.gz ITSSSGMSHPHCJV-NSHDSACASA-N -1 3 362.393 2.719 20 30 FFEDHM C=CCC(C)(C)CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001327785857 1048040159 /nfs/dbraw/zinc/04/01/59/1048040159.db2.gz SGQOYYCNHGUINV-UHFFFAOYSA-N -1 3 357.451 2.599 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC001327906808 1048090993 /nfs/dbraw/zinc/09/09/93/1048090993.db2.gz FIDYMZCPTHTFST-ILWJIGKKSA-N -1 3 366.311 2.899 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc([C@@H]3CCCCO3)o2)ccc1F ZINC001331941981 1048181798 /nfs/dbraw/zinc/18/17/98/1048181798.db2.gz PBRHAMOPJAVFGS-ZDUSSCGKSA-N -1 3 367.402 2.582 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)n1 ZINC001296254602 1050042362 /nfs/dbraw/zinc/04/23/62/1050042362.db2.gz RTIXCGAGUNWINS-UHFFFAOYSA-N -1 3 364.262 2.877 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)n1 ZINC001296254602 1050042366 /nfs/dbraw/zinc/04/23/66/1050042366.db2.gz RTIXCGAGUNWINS-UHFFFAOYSA-N -1 3 364.262 2.877 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccc(C)o3)o2)ccc1F ZINC001341686110 1050308192 /nfs/dbraw/zinc/30/81/92/1050308192.db2.gz KMYOBWYABIACQP-UHFFFAOYSA-N -1 3 363.370 2.908 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(CCC(F)(F)F)n1 ZINC001341940115 1050536248 /nfs/dbraw/zinc/53/62/48/1050536248.db2.gz CPOWNWXMWLEEAR-GFCCVEGCSA-N -1 3 350.300 2.797 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001342197331 1050789713 /nfs/dbraw/zinc/78/97/13/1050789713.db2.gz GXLXMRLYYNFIAT-XJKSGUPXSA-N -1 3 367.409 2.791 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(Oc2ccccc2)CC1 ZINC001342197833 1050790853 /nfs/dbraw/zinc/79/08/53/1050790853.db2.gz NBKFKHALZUDQCU-UHFFFAOYSA-N -1 3 367.409 2.873 20 30 FFEDHM C=C1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2ccccc2)CC1 ZINC001342287027 1050879476 /nfs/dbraw/zinc/87/94/76/1050879476.db2.gz GDUYGFRLBXNJIP-UHFFFAOYSA-N -1 3 355.833 2.921 20 30 FFEDHM C=C1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2ccccc2)CC1 ZINC001342287027 1050879487 /nfs/dbraw/zinc/87/94/87/1050879487.db2.gz GDUYGFRLBXNJIP-UHFFFAOYSA-N -1 3 355.833 2.921 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001342387385 1050981902 /nfs/dbraw/zinc/98/19/02/1050981902.db2.gz ZWIBQHJJEMKNOE-JTQLQIEISA-N -1 3 350.373 2.559 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCc2sccc2C1 ZINC001340716906 1051077186 /nfs/dbraw/zinc/07/71/86/1051077186.db2.gz VDWHWSCQEZQBDG-UHFFFAOYSA-N -1 3 368.466 2.949 20 30 FFEDHM C=C[C@@H](COC)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001342779590 1051391366 /nfs/dbraw/zinc/39/13/66/1051391366.db2.gz YDNYXCKHXORFHD-HKUYNNGSSA-N -1 3 368.433 2.571 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1nc(C#N)c(Cl)s1 ZINC001306993863 1052233526 /nfs/dbraw/zinc/23/35/26/1052233526.db2.gz MEFPMCXKVUNPOY-UHFFFAOYSA-N -1 3 360.823 2.791 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1cccc(OC)c1 ZINC001343732971 1052394560 /nfs/dbraw/zinc/39/45/60/1052394560.db2.gz MOCGMPLDZYWKPW-UHFFFAOYSA-N -1 3 355.398 2.860 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001345975375 1052691535 /nfs/dbraw/zinc/69/15/35/1052691535.db2.gz WMVWOFLKTWXZHK-UONOGXRCSA-N -1 3 372.498 2.515 20 30 FFEDHM C#CC[C@@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)C1 ZINC001346031651 1052714571 /nfs/dbraw/zinc/71/45/71/1052714571.db2.gz BAJKLTVDATXPTK-CYBMUJFWSA-N -1 3 369.450 2.988 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3c(Br)cccc3C#N)C2)n1 ZINC001348302437 1054619183 /nfs/dbraw/zinc/61/91/83/1054619183.db2.gz YLWOYTCSJUMNEF-LBPRGKRZSA-N -1 3 374.242 2.816 20 30 FFEDHM Cn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N(CCC#N)CC1CC1 ZINC001338013198 1055169760 /nfs/dbraw/zinc/16/97/60/1055169760.db2.gz BDZNKHXVGYZSQX-UHFFFAOYSA-N -1 3 363.425 2.503 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(C)ccc2=O)cc1 ZINC001356277069 1055431721 /nfs/dbraw/zinc/43/17/21/1055431721.db2.gz VGOQFEVOWXGAID-XJKSGUPXSA-N -1 3 351.406 2.860 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001339068037 1056063688 /nfs/dbraw/zinc/06/36/88/1056063688.db2.gz FVIZGZNZTALWDC-INIZCTEOSA-N -1 3 362.437 2.929 20 30 FFEDHM C#CC[C@@H]1CCCN(c2nnc(-c3nn(-c4ccccc4)cc3[O-])n2C)C1 ZINC001339472571 1056487873 /nfs/dbraw/zinc/48/78/73/1056487873.db2.gz IATKSUSCMFUEAG-OAHLLOKOSA-N -1 3 362.437 2.613 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC001450270371 1059002529 /nfs/dbraw/zinc/00/25/29/1059002529.db2.gz OHILDCYDHINIMY-AWEZNQCLSA-N -1 3 361.785 2.637 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCC[C@H](SCC)C1 ZINC001520368107 1059641877 /nfs/dbraw/zinc/64/18/77/1059641877.db2.gz PSYJREYNKGRONF-ZDUSSCGKSA-N -1 3 360.487 2.739 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1Cc2cccc(OC)c2C1 ZINC001515692086 1059750470 /nfs/dbraw/zinc/75/04/70/1059750470.db2.gz ZFUUQTIAVUSVOG-UHFFFAOYSA-N -1 3 353.382 2.744 20 30 FFEDHM CCCCCCCCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1C ZINC001520809630 1060104223 /nfs/dbraw/zinc/10/42/23/1060104223.db2.gz WRPMXUFVSGOIEM-ZBFHGGJFSA-N -1 3 362.474 2.652 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC)c1[O-] ZINC001521111217 1060400393 /nfs/dbraw/zinc/40/03/93/1060400393.db2.gz CJWCWNLOECKJPJ-AWEZNQCLSA-N -1 3 371.485 2.608 20 30 FFEDHM CC[C@@H](CC(F)(F)F)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458000256 1060488662 /nfs/dbraw/zinc/48/86/62/1060488662.db2.gz AVPRUGBQCRWWAL-NSHDSACASA-N -1 3 372.343 2.869 20 30 FFEDHM COc1ccc([C@@H]2[C@H](C(=O)N([O-])Cc3ccc(F)cc3)CC(=O)N2C)cc1 ZINC001458016084 1060490833 /nfs/dbraw/zinc/49/08/33/1060490833.db2.gz IQGAYHRHBXRGEY-IEBWSBKVSA-N -1 3 372.396 2.772 20 30 FFEDHM Cn1ncc2c1nc(SCc1cc(Cl)ccc1OCC#N)[n-]c2=O ZINC001459183128 1060721640 /nfs/dbraw/zinc/72/16/40/1060721640.db2.gz GHPNMBXSJBNFHH-UHFFFAOYSA-N -1 3 361.814 2.917 20 30 FFEDHM Cc1nc(NC(=O)N[C@@H]2CCCN([O-])C2=O)sc1Cc1ccc(C)cc1 ZINC001476488209 1061420285 /nfs/dbraw/zinc/42/02/85/1061420285.db2.gz NQLCKRLKVWUDCU-CQSZACIVSA-N -1 3 374.466 2.852 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1occc1Br)c1ccc(C#N)cc1 ZINC001462928461 1061849876 /nfs/dbraw/zinc/84/98/76/1061849876.db2.gz PAQGIHKXYBLKCS-VIFPVBQESA-N -1 3 355.213 2.953 20 30 FFEDHM CS(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SCCC#N)co1 ZINC001360355054 1061938368 /nfs/dbraw/zinc/93/83/68/1061938368.db2.gz IOKOYFTWXQTKNR-UHFFFAOYSA-N -1 3 350.421 2.941 20 30 FFEDHM CC(C)(C#N)CC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438030498 1062942514 /nfs/dbraw/zinc/94/25/14/1062942514.db2.gz DIAHJGKIBPJLNZ-UHFFFAOYSA-N -1 3 366.830 2.774 20 30 FFEDHM CC(C)(C#N)CC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001438030498 1062942535 /nfs/dbraw/zinc/94/25/35/1062942535.db2.gz DIAHJGKIBPJLNZ-UHFFFAOYSA-N -1 3 366.830 2.774 20 30 FFEDHM Cc1ccc(F)c(CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)c1 ZINC001472618808 1065112499 /nfs/dbraw/zinc/11/24/99/1065112499.db2.gz JCYHDABBDNCPSZ-UHFFFAOYSA-N -1 3 370.380 2.581 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1(F)F ZINC001472621966 1065114021 /nfs/dbraw/zinc/11/40/21/1065114021.db2.gz DXRKLVGYQKUANM-CHWSQXEVSA-N -1 3 374.359 2.950 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC#N)c1ccc(Cl)cc1 ZINC001579876730 1078704381 /nfs/dbraw/zinc/70/43/81/1078704381.db2.gz HPKGOEFYFKZKII-UHFFFAOYSA-N -1 3 368.784 2.699 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC#N)c1ccc(Cl)cc1 ZINC001579876730 1078704388 /nfs/dbraw/zinc/70/43/88/1078704388.db2.gz HPKGOEFYFKZKII-UHFFFAOYSA-N -1 3 368.784 2.699 20 30 FFEDHM Cc1cc(C(=O)N(C)c2ccc(C#N)cc2F)cc(C)c1-c1nnn[n-]1 ZINC001580778604 1078859687 /nfs/dbraw/zinc/85/96/87/1078859687.db2.gz LUWXPULGKRDDLW-UHFFFAOYSA-N -1 3 350.357 2.771 20 30 FFEDHM Cc1cc(C(=O)N(C)c2ccc(C#N)cc2F)cc(C)c1-c1nn[n-]n1 ZINC001580778604 1078859695 /nfs/dbraw/zinc/85/96/95/1078859695.db2.gz LUWXPULGKRDDLW-UHFFFAOYSA-N -1 3 350.357 2.771 20 30 FFEDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)cc(C)c1C#N ZINC001580885195 1078884705 /nfs/dbraw/zinc/88/47/05/1078884705.db2.gz JXOZKAUDXLBQLT-UHFFFAOYSA-N -1 3 354.320 2.886 20 30 FFEDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)cc(C)c1C#N ZINC001580885195 1078884713 /nfs/dbraw/zinc/88/47/13/1078884713.db2.gz JXOZKAUDXLBQLT-UHFFFAOYSA-N -1 3 354.320 2.886 20 30 FFEDHM N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001581856904 1079008849 /nfs/dbraw/zinc/00/88/49/1079008849.db2.gz IKXQIRNZDKZRHY-GVDBMIGSSA-N -1 3 350.426 2.559 20 30 FFEDHM N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001581856904 1079008854 /nfs/dbraw/zinc/00/88/54/1079008854.db2.gz IKXQIRNZDKZRHY-GVDBMIGSSA-N -1 3 350.426 2.559 20 30 FFEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)n1nnc(-c2ccccc2)n1 ZINC001559033435 1076118410 /nfs/dbraw/zinc/11/84/10/1076118410.db2.gz INHVTRGALRAOLL-LBPRGKRZSA-N -1 3 357.801 2.973 20 30 FFEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001564621130 1076648715 /nfs/dbraw/zinc/64/87/15/1076648715.db2.gz KNYIQTKQUOXVML-UHFFFAOYSA-N -1 3 366.347 2.516 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(I)cc2[O-])nc1 ZINC001567502118 1077032724 /nfs/dbraw/zinc/03/27/24/1077032724.db2.gz VRBOTTVPNKGQAU-UHFFFAOYSA-N -1 3 364.142 2.625 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1cccc2n[n-]nc21 ZINC001573239358 1077623576 /nfs/dbraw/zinc/62/35/76/1077623576.db2.gz HITNBFUZTYULSM-CABCVRRESA-N -1 3 369.469 2.671 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(C)(C)C ZINC001588329988 1079985707 /nfs/dbraw/zinc/98/57/07/1079985707.db2.gz SEBJTXFCGXAHFV-OAHLLOKOSA-N -1 3 356.430 2.823 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(C)(C)C ZINC001588329988 1079985712 /nfs/dbraw/zinc/98/57/12/1079985712.db2.gz SEBJTXFCGXAHFV-OAHLLOKOSA-N -1 3 356.430 2.823 20 30 FFEDHM C#CCC(CC#C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001588331148 1079987706 /nfs/dbraw/zinc/98/77/06/1079987706.db2.gz KXOIPKIYNSWYNQ-UHFFFAOYSA-N -1 3 372.388 2.655 20 30 FFEDHM C#CCC(CC#C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001588331148 1079987711 /nfs/dbraw/zinc/98/77/11/1079987711.db2.gz KXOIPKIYNSWYNQ-UHFFFAOYSA-N -1 3 372.388 2.655 20 30 FFEDHM C#CCC1(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588335158 1079989044 /nfs/dbraw/zinc/98/90/44/1079989044.db2.gz ZWPGNJKMPARJOC-UHFFFAOYSA-N -1 3 352.394 2.566 20 30 FFEDHM C#CCC1(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588335158 1079989048 /nfs/dbraw/zinc/98/90/48/1079989048.db2.gz ZWPGNJKMPARJOC-UHFFFAOYSA-N -1 3 352.394 2.566 20 30 FFEDHM C#CCCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CCC ZINC001588345889 1079990473 /nfs/dbraw/zinc/99/04/73/1079990473.db2.gz OVBSTXPOKXOHBA-UHFFFAOYSA-N -1 3 364.457 2.775 20 30 FFEDHM C#CCCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CCC ZINC001588345889 1079990476 /nfs/dbraw/zinc/99/04/76/1079990476.db2.gz OVBSTXPOKXOHBA-UHFFFAOYSA-N -1 3 364.457 2.775 20 30 FFEDHM C#CCCCCCC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588345153 1079990774 /nfs/dbraw/zinc/99/07/74/1079990774.db2.gz SHIPCGAUSPTZEI-UHFFFAOYSA-N -1 3 370.432 2.650 20 30 FFEDHM C#CCCCCCC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588345153 1079990781 /nfs/dbraw/zinc/99/07/81/1079990781.db2.gz SHIPCGAUSPTZEI-UHFFFAOYSA-N -1 3 370.432 2.650 20 30 FFEDHM C#CCN(CCOc1ccccc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC001588350870 1079992242 /nfs/dbraw/zinc/99/22/42/1079992242.db2.gz UHCUFWXFIILDKB-UHFFFAOYSA-N -1 3 351.385 2.520 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588350735 1079992838 /nfs/dbraw/zinc/99/28/38/1079992838.db2.gz NMTQFDZDEWUXBY-UHFFFAOYSA-N -1 3 374.379 2.763 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)cc1 ZINC001588361710 1079993849 /nfs/dbraw/zinc/99/38/49/1079993849.db2.gz HRNGFCLJRPFTCL-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)cc1 ZINC001588361710 1079993856 /nfs/dbraw/zinc/99/38/56/1079993856.db2.gz HRNGFCLJRPFTCL-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM C#Cc1cc(F)c(NCc2cn3ccccc3c2-c2nnn[n-]2)c(F)c1 ZINC001588364354 1079994164 /nfs/dbraw/zinc/99/41/64/1079994164.db2.gz BHUHWXBEABFBPO-UHFFFAOYSA-N -1 3 350.332 2.991 20 30 FFEDHM C#Cc1cc(F)c(NCc2cn3ccccc3c2-c2nn[n-]n2)c(F)c1 ZINC001588364354 1079994167 /nfs/dbraw/zinc/99/41/67/1079994167.db2.gz BHUHWXBEABFBPO-UHFFFAOYSA-N -1 3 350.332 2.991 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC001588361843 1079994405 /nfs/dbraw/zinc/99/44/05/1079994405.db2.gz KYGZAQQOQFJEJZ-UHFFFAOYSA-N -1 3 370.372 2.679 20 30 FFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC001588361843 1079994410 /nfs/dbraw/zinc/99/44/10/1079994410.db2.gz KYGZAQQOQFJEJZ-UHFFFAOYSA-N -1 3 370.372 2.679 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)cc1 ZINC001588373104 1079996767 /nfs/dbraw/zinc/99/67/67/1079996767.db2.gz AERMCUVEGFAESO-UHFFFAOYSA-N -1 3 373.294 2.999 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)cc1 ZINC001588373104 1079996772 /nfs/dbraw/zinc/99/67/72/1079996772.db2.gz AERMCUVEGFAESO-UHFFFAOYSA-N -1 3 373.294 2.999 20 30 FFEDHM C#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)c(Cl)c1 ZINC001588374883 1079997654 /nfs/dbraw/zinc/99/76/54/1079997654.db2.gz UVCBJTJMNNBUBP-UHFFFAOYSA-N -1 3 366.812 2.820 20 30 FFEDHM C#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)c(Cl)c1 ZINC001588374883 1079997658 /nfs/dbraw/zinc/99/76/58/1079997658.db2.gz UVCBJTJMNNBUBP-UHFFFAOYSA-N -1 3 366.812 2.820 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588391591 1080003455 /nfs/dbraw/zinc/00/34/55/1080003455.db2.gz MXZCTXLVKJGSAL-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588391591 1080003464 /nfs/dbraw/zinc/00/34/64/1080003464.db2.gz MXZCTXLVKJGSAL-LJQANCHMSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588396913 1080008026 /nfs/dbraw/zinc/00/80/26/1080008026.db2.gz QDVPQIGMSTWUQL-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588396913 1080008032 /nfs/dbraw/zinc/00/80/32/1080008032.db2.gz QDVPQIGMSTWUQL-LBPRGKRZSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588396912 1080008157 /nfs/dbraw/zinc/00/81/57/1080008157.db2.gz QDVPQIGMSTWUQL-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588396912 1080008166 /nfs/dbraw/zinc/00/81/66/1080008166.db2.gz QDVPQIGMSTWUQL-GFCCVEGCSA-N -1 3 360.437 2.549 20 30 FFEDHM C=C(C)CCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588409187 1080012121 /nfs/dbraw/zinc/01/21/21/1080012121.db2.gz BNOVXOJLHYRPHV-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588409187 1080012131 /nfs/dbraw/zinc/01/21/31/1080012131.db2.gz BNOVXOJLHYRPHV-AWEZNQCLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H](CC)C1 ZINC001588411901 1080016540 /nfs/dbraw/zinc/01/65/40/1080016540.db2.gz MUWRALHYCHTDKY-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H](CC)C1 ZINC001588411901 1080016550 /nfs/dbraw/zinc/01/65/50/1080016550.db2.gz MUWRALHYCHTDKY-HOCLYGCPSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588415235 1080017266 /nfs/dbraw/zinc/01/72/66/1080017266.db2.gz GJYQZAZJTHSBNV-GOEBONIOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588415235 1080017275 /nfs/dbraw/zinc/01/72/75/1080017275.db2.gz GJYQZAZJTHSBNV-GOEBONIOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588426212 1080024090 /nfs/dbraw/zinc/02/40/90/1080024090.db2.gz QHJNEMQFSBUIPO-UHFFFAOYSA-N -1 3 363.421 2.850 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588426212 1080024095 /nfs/dbraw/zinc/02/40/95/1080024095.db2.gz QHJNEMQFSBUIPO-UHFFFAOYSA-N -1 3 363.421 2.850 20 30 FFEDHM C=C(C)Cn1c(-c2cncc(-c3nnn[n-]3)c2)nnc1N(C)[C@@H](C)CCC ZINC001588436006 1080027405 /nfs/dbraw/zinc/02/74/05/1080027405.db2.gz GANAOCJDTMEORC-ZDUSSCGKSA-N -1 3 367.461 2.721 20 30 FFEDHM C=C(C)Cn1c(-c2cncc(-c3nn[n-]n3)c2)nnc1N(C)[C@@H](C)CCC ZINC001588436006 1080027410 /nfs/dbraw/zinc/02/74/10/1080027410.db2.gz GANAOCJDTMEORC-ZDUSSCGKSA-N -1 3 367.461 2.721 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588468512 1080038443 /nfs/dbraw/zinc/03/84/43/1080038443.db2.gz LNTQILLXZDFVSU-UHFFFAOYSA-N -1 3 371.489 2.679 20 30 FFEDHM C=CC(C)(C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588468512 1080038452 /nfs/dbraw/zinc/03/84/52/1080038452.db2.gz LNTQILLXZDFVSU-UHFFFAOYSA-N -1 3 371.489 2.679 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588474891 1080042978 /nfs/dbraw/zinc/04/29/78/1080042978.db2.gz HTKOHPLRWCPVDT-LBPRGKRZSA-N -1 3 358.421 2.621 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588474891 1080042991 /nfs/dbraw/zinc/04/29/91/1080042991.db2.gz HTKOHPLRWCPVDT-LBPRGKRZSA-N -1 3 358.421 2.621 20 30 FFEDHM C#CCN1CCC(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)CC1 ZINC001588477359 1080044968 /nfs/dbraw/zinc/04/49/68/1080044968.db2.gz ZAGZINPOPKWEKH-UHFFFAOYSA-N -1 3 360.479 2.999 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588481683 1080045964 /nfs/dbraw/zinc/04/59/64/1080045964.db2.gz NKFMNMOKMDTFSK-UHFFFAOYSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588481683 1080045973 /nfs/dbraw/zinc/04/59/73/1080045973.db2.gz NKFMNMOKMDTFSK-UHFFFAOYSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001588484722 1080049148 /nfs/dbraw/zinc/04/91/48/1080049148.db2.gz LBHYCXWEDVCKBR-ZIAGYGMSSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001588484722 1080049160 /nfs/dbraw/zinc/04/91/60/1080049160.db2.gz LBHYCXWEDVCKBR-ZIAGYGMSSA-N -1 3 369.473 2.655 20 30 FFEDHM C=CC[C@H](C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588530567 1080080040 /nfs/dbraw/zinc/08/00/40/1080080040.db2.gz OXXIMJDSYKLXDC-SFHVURJKSA-N -1 3 363.421 2.722 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588531586 1080081357 /nfs/dbraw/zinc/08/13/57/1080081357.db2.gz GGZNJCDCISELST-UHFFFAOYSA-N -1 3 372.448 2.647 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588531586 1080081366 /nfs/dbraw/zinc/08/13/66/1080081366.db2.gz GGZNJCDCISELST-UHFFFAOYSA-N -1 3 372.448 2.647 20 30 FFEDHM C=CC[C@H](CC)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001588541334 1080087704 /nfs/dbraw/zinc/08/77/04/1080087704.db2.gz MOPHPIIWFWMSIZ-NSHDSACASA-N -1 3 370.392 2.668 20 30 FFEDHM C=CC[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)c1ccncc1 ZINC001588548011 1080090296 /nfs/dbraw/zinc/09/02/96/1080090296.db2.gz BFZVMMGXFSJTEQ-CQSZACIVSA-N -1 3 359.393 2.790 20 30 FFEDHM C=CCC1(C(=O)NCC[C@H](C)Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001588553192 1080093250 /nfs/dbraw/zinc/09/32/50/1080093250.db2.gz IVNLJBHGTRNEQJ-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NCC[C@H](C)Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001588553192 1080093258 /nfs/dbraw/zinc/09/32/58/1080093258.db2.gz IVNLJBHGTRNEQJ-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588560214 1080095973 /nfs/dbraw/zinc/09/59/73/1080095973.db2.gz OPLDKIWQTVBWRA-BBRMVZONSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588560214 1080095982 /nfs/dbraw/zinc/09/59/82/1080095982.db2.gz OPLDKIWQTVBWRA-BBRMVZONSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CCCC(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001588572011 1080103844 /nfs/dbraw/zinc/10/38/44/1080103844.db2.gz VTZWEJHLMAMVHV-UHFFFAOYSA-N -1 3 373.436 2.598 20 30 FFEDHM C=CCCC(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001588572011 1080103851 /nfs/dbraw/zinc/10/38/51/1080103851.db2.gz VTZWEJHLMAMVHV-UHFFFAOYSA-N -1 3 373.436 2.598 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588581807 1080107642 /nfs/dbraw/zinc/10/76/42/1080107642.db2.gz ATEHMWIXKVFCSQ-LSDHHAIUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588581807 1080107645 /nfs/dbraw/zinc/10/76/45/1080107645.db2.gz ATEHMWIXKVFCSQ-LSDHHAIUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588582838 1080108614 /nfs/dbraw/zinc/10/86/14/1080108614.db2.gz PRMAKEMFJCWUBD-GDBMZVCRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588582838 1080108616 /nfs/dbraw/zinc/10/86/16/1080108616.db2.gz PRMAKEMFJCWUBD-GDBMZVCRSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H](CC)C1 ZINC001588587977 1080110962 /nfs/dbraw/zinc/11/09/62/1080110962.db2.gz AZJDRAXEEQLSKK-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H](CC)C1 ZINC001588587977 1080110963 /nfs/dbraw/zinc/11/09/63/1080110963.db2.gz AZJDRAXEEQLSKK-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCCCCCNS(=O)(=O)c1c(C)cccc1-c1nnn[n-]1 ZINC001588593900 1080115545 /nfs/dbraw/zinc/11/55/45/1080115545.db2.gz LFVAEXNELPKRQG-UHFFFAOYSA-N -1 3 363.487 2.980 20 30 FFEDHM C=CCCCCCCCNS(=O)(=O)c1c(C)cccc1-c1nn[n-]n1 ZINC001588593900 1080115546 /nfs/dbraw/zinc/11/55/46/1080115546.db2.gz LFVAEXNELPKRQG-UHFFFAOYSA-N -1 3 363.487 2.980 20 30 FFEDHM C=CCCCCCNC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588596240 1080117578 /nfs/dbraw/zinc/11/75/78/1080117578.db2.gz KCGFIKQUIHMUIR-UHFFFAOYSA-N -1 3 354.336 2.757 20 30 FFEDHM C=CCCNC(=O)Nc1cnn(-c2cccc(-c3nnn[n-]3)c2)c1CCC ZINC001588609562 1080121998 /nfs/dbraw/zinc/12/19/98/1080121998.db2.gz QGDFWFNSZMLPLU-UHFFFAOYSA-N -1 3 366.429 2.703 20 30 FFEDHM C=CCCNC(=O)Nc1cnn(-c2cccc(-c3nn[n-]n3)c2)c1CCC ZINC001588609562 1080122002 /nfs/dbraw/zinc/12/20/02/1080122002.db2.gz QGDFWFNSZMLPLU-UHFFFAOYSA-N -1 3 366.429 2.703 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001588640058 1080133496 /nfs/dbraw/zinc/13/34/96/1080133496.db2.gz ZRDQWKRVXVAOTM-QZTJIDSGSA-N -1 3 369.469 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001588640058 1080133501 /nfs/dbraw/zinc/13/35/01/1080133501.db2.gz ZRDQWKRVXVAOTM-QZTJIDSGSA-N -1 3 369.469 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cn2cc(C)ccc2n1 ZINC001588648593 1080137661 /nfs/dbraw/zinc/13/76/61/1080137661.db2.gz QYGPZIKBLFSCJY-UHFFFAOYSA-N -1 3 373.420 2.651 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cn2cc(C)ccc2n1 ZINC001588648593 1080137664 /nfs/dbraw/zinc/13/76/64/1080137664.db2.gz QYGPZIKBLFSCJY-UHFFFAOYSA-N -1 3 373.420 2.651 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnn1[C@@H](C)CC ZINC001588647668 1080138301 /nfs/dbraw/zinc/13/83/01/1080138301.db2.gz BLGAYHHVEOYDTP-AWEZNQCLSA-N -1 3 365.441 2.863 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnn1[C@@H](C)CC ZINC001588647668 1080138303 /nfs/dbraw/zinc/13/83/03/1080138303.db2.gz BLGAYHHVEOYDTP-AWEZNQCLSA-N -1 3 365.441 2.863 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc2cccc(C)n21 ZINC001588648187 1080138512 /nfs/dbraw/zinc/13/85/12/1080138512.db2.gz KXXQJPRXPWHZLJ-UHFFFAOYSA-N -1 3 373.420 2.651 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc2cccc(C)n21 ZINC001588648187 1080138516 /nfs/dbraw/zinc/13/85/16/1080138516.db2.gz KXXQJPRXPWHZLJ-UHFFFAOYSA-N -1 3 373.420 2.651 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nc(C)cs1 ZINC001588649205 1080139669 /nfs/dbraw/zinc/13/96/69/1080139669.db2.gz KLYYHTDXDQCXHH-UHFFFAOYSA-N -1 3 369.454 2.529 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1nc(C)cs1 ZINC001588649205 1080139673 /nfs/dbraw/zinc/13/96/73/1080139673.db2.gz KLYYHTDXDQCXHH-UHFFFAOYSA-N -1 3 369.454 2.529 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(=O)NC(C)(C)CC ZINC001588648971 1080140152 /nfs/dbraw/zinc/14/01/52/1080140152.db2.gz RWRLOLNJPGXWEH-CQSZACIVSA-N -1 3 356.474 2.548 20 30 FFEDHM C=CCNc1ncc(C(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC001588665016 1080146697 /nfs/dbraw/zinc/14/66/97/1080146697.db2.gz CCUUBBPHTOJDBC-NSHDSACASA-N -1 3 369.454 2.754 20 30 FFEDHM C=CCNc1ncc(C(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC001588665016 1080146700 /nfs/dbraw/zinc/14/67/00/1080146700.db2.gz CCUUBBPHTOJDBC-NSHDSACASA-N -1 3 369.454 2.754 20 30 FFEDHM C=CCOCCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001588682315 1080152032 /nfs/dbraw/zinc/15/20/32/1080152032.db2.gz LYKHIICAVOWGGN-UHFFFAOYSA-N -1 3 356.199 2.773 20 30 FFEDHM C=CCOCCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001588682315 1080152035 /nfs/dbraw/zinc/15/20/35/1080152035.db2.gz LYKHIICAVOWGGN-UHFFFAOYSA-N -1 3 356.199 2.773 20 30 FFEDHM C=CCOCCCNC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588682914 1080152061 /nfs/dbraw/zinc/15/20/61/1080152061.db2.gz UQXHRRIBXSGUQY-UHFFFAOYSA-N -1 3 357.439 2.712 20 30 FFEDHM C=CCOCCCNC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588682914 1080152065 /nfs/dbraw/zinc/15/20/65/1080152065.db2.gz UQXHRRIBXSGUQY-UHFFFAOYSA-N -1 3 357.439 2.712 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001588689330 1080156167 /nfs/dbraw/zinc/15/61/67/1080156167.db2.gz JWKHTRPYWWSEFU-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001588689330 1080156168 /nfs/dbraw/zinc/15/61/68/1080156168.db2.gz JWKHTRPYWWSEFU-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCc1cc(CNc2nc(-c3nnn[n-]3)ccc2C)cc(OC)c1OC ZINC001588695307 1080159126 /nfs/dbraw/zinc/15/91/26/1080159126.db2.gz UAPVQMFJCITCMY-UHFFFAOYSA-N -1 3 366.425 2.928 20 30 FFEDHM C=CCn1c(-c2ccc(C)c(-c3nnn[n-]3)c2)nnc1N1CC2CC1(C)C2 ZINC001588695451 1080159479 /nfs/dbraw/zinc/15/94/79/1080159479.db2.gz DMXOSWFNRAGCCY-UHFFFAOYSA-N -1 3 362.441 2.608 20 30 FFEDHM C=CCn1c(-c2ccc(C)c(-c3nn[n-]n3)c2)nnc1N1CC2CC1(C)C2 ZINC001588695451 1080159483 /nfs/dbraw/zinc/15/94/83/1080159483.db2.gz DMXOSWFNRAGCCY-UHFFFAOYSA-N -1 3 362.441 2.608 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001588698925 1080160940 /nfs/dbraw/zinc/16/09/40/1080160940.db2.gz BYIQIJBRFCNOGW-MRXNPFEDSA-N -1 3 362.441 2.548 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001588698925 1080160944 /nfs/dbraw/zinc/16/09/44/1080160944.db2.gz BYIQIJBRFCNOGW-MRXNPFEDSA-N -1 3 362.441 2.548 20 30 FFEDHM CC#CCN(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC001588747887 1080180233 /nfs/dbraw/zinc/18/02/33/1080180233.db2.gz YZHZJZMMIYEVCU-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CC#CCN(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC001588747887 1080180235 /nfs/dbraw/zinc/18/02/35/1080180235.db2.gz YZHZJZMMIYEVCU-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CC(=NN[C@H](C)COc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC001588776502 1080190614 /nfs/dbraw/zinc/19/06/14/1080190614.db2.gz PQNYWFBZOABAAE-GFCCVEGCSA-N -1 3 354.389 2.787 20 30 FFEDHM CC(=NN[C@H](C)COc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776502 1080190618 /nfs/dbraw/zinc/19/06/18/1080190618.db2.gz PQNYWFBZOABAAE-GFCCVEGCSA-N -1 3 354.389 2.787 20 30 FFEDHM CC(C)(C(=O)OCc1ccccc1-c1nnn[n-]1)c1cc(F)cc(C#N)c1 ZINC001589061532 1080332670 /nfs/dbraw/zinc/33/26/70/1080332670.db2.gz CLIHULDZTRYUGK-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)(C(=O)OCc1ccccc1-c1nn[n-]n1)c1cc(F)cc(C#N)c1 ZINC001589061532 1080332676 /nfs/dbraw/zinc/33/26/76/1080332676.db2.gz CLIHULDZTRYUGK-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)(C)OC(=O)C1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCC1 ZINC001589148912 1080386498 /nfs/dbraw/zinc/38/64/98/1080386498.db2.gz AUMGNVCSQSEXRU-UHFFFAOYSA-N -1 3 354.414 2.662 20 30 FFEDHM CC(C)(C)OC(=O)C1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCC1 ZINC001589148912 1080386503 /nfs/dbraw/zinc/38/65/03/1080386503.db2.gz AUMGNVCSQSEXRU-UHFFFAOYSA-N -1 3 354.414 2.662 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001589201808 1080414628 /nfs/dbraw/zinc/41/46/28/1080414628.db2.gz CKUOJOTZEIBCFU-GFCCVEGCSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001589201808 1080414633 /nfs/dbraw/zinc/41/46/33/1080414633.db2.gz CKUOJOTZEIBCFU-GFCCVEGCSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)C(CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001589442811 1080536191 /nfs/dbraw/zinc/53/61/91/1080536191.db2.gz ZQYLJWNHLRVUDA-INIZCTEOSA-N -1 3 354.458 2.593 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001589754826 1080706831 /nfs/dbraw/zinc/70/68/31/1080706831.db2.gz XJJGTUOCRPCWRV-UHFFFAOYSA-N -1 3 366.356 2.917 20 30 FFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001589754826 1080706836 /nfs/dbraw/zinc/70/68/36/1080706836.db2.gz XJJGTUOCRPCWRV-UHFFFAOYSA-N -1 3 366.356 2.917 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC001589896144 1080842734 /nfs/dbraw/zinc/84/27/34/1080842734.db2.gz WEICGNYYXCXTJK-BMFZPTHFSA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC001589896144 1080842740 /nfs/dbraw/zinc/84/27/40/1080842740.db2.gz WEICGNYYXCXTJK-BMFZPTHFSA-N -1 3 353.426 2.918 20 30 FFEDHM C[C@H](NC(=O)N1Cc2cccc(C#N)c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589930901 1080872559 /nfs/dbraw/zinc/87/25/59/1080872559.db2.gz HSUMVALGZPNJPJ-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)N1Cc2cccc(C#N)c2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589930901 1080872565 /nfs/dbraw/zinc/87/25/65/1080872565.db2.gz HSUMVALGZPNJPJ-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc(C#N)c1 ZINC001589936548 1080879052 /nfs/dbraw/zinc/87/90/52/1080879052.db2.gz DLTUJZYRHUTCBE-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc(C#N)c1 ZINC001589936548 1080879058 /nfs/dbraw/zinc/87/90/58/1080879058.db2.gz DLTUJZYRHUTCBE-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](Nc1ccnc(C#N)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001589986487 1080924285 /nfs/dbraw/zinc/92/42/85/1080924285.db2.gz JLIXYKJRMSKGOK-ZDUSSCGKSA-N -1 3 368.404 2.790 20 30 FFEDHM C[C@H](Nc1ccnc(C#N)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001589986487 1080924287 /nfs/dbraw/zinc/92/42/87/1080924287.db2.gz JLIXYKJRMSKGOK-ZDUSSCGKSA-N -1 3 368.404 2.790 20 30 FFEDHM C[C@]1(C#N)CCCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001590055053 1080982111 /nfs/dbraw/zinc/98/21/11/1080982111.db2.gz OZDOUUNXPWTDJR-GOSISDBHSA-N -1 3 362.397 2.579 20 30 FFEDHM C[C@]1(C#N)CCCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001590055053 1080982116 /nfs/dbraw/zinc/98/21/16/1080982116.db2.gz OZDOUUNXPWTDJR-GOSISDBHSA-N -1 3 362.397 2.579 20 30 FFEDHM C[C@@]1(C#N)CCCN(Cc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC001590053522 1080982280 /nfs/dbraw/zinc/98/22/80/1080982280.db2.gz AZHIHLLNKNXVFJ-HNNXBMFYSA-N -1 3 361.247 2.755 20 30 FFEDHM C[C@@]1(C#N)CCCN(Cc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC001590053522 1080982283 /nfs/dbraw/zinc/98/22/83/1080982283.db2.gz AZHIHLLNKNXVFJ-HNNXBMFYSA-N -1 3 361.247 2.755 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1 ZINC001590055907 1080983678 /nfs/dbraw/zinc/98/36/78/1080983678.db2.gz XYSWEKHHQUMWSI-GOSISDBHSA-N -1 3 351.414 2.902 20 30 FFEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1 ZINC001590055907 1080983683 /nfs/dbraw/zinc/98/36/83/1080983683.db2.gz XYSWEKHHQUMWSI-GOSISDBHSA-N -1 3 351.414 2.902 20 30 FFEDHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000275988972 256064005 /nfs/dbraw/zinc/06/40/05/256064005.db2.gz PYAVFNNJQNSDMQ-UHFFFAOYSA-N -1 3 350.362 2.670 20 30 FFEDHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[nH]1 ZINC000277687429 256226966 /nfs/dbraw/zinc/22/69/66/256226966.db2.gz CPTRWDRWBDQKKK-ZWNOBZJWSA-N -1 3 370.457 2.717 20 30 FFEDHM CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1 ZINC000277687429 256226968 /nfs/dbraw/zinc/22/69/68/256226968.db2.gz CPTRWDRWBDQKKK-ZWNOBZJWSA-N -1 3 370.457 2.717 20 30 FFEDHM CC(C)CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000286456478 257037906 /nfs/dbraw/zinc/03/79/06/257037906.db2.gz AQBUMJHGUDXGNU-UHFFFAOYSA-N -1 3 361.423 2.614 20 30 FFEDHM CC[C@@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000286779513 257054813 /nfs/dbraw/zinc/05/48/13/257054813.db2.gz XAMZXWKPGZGYQM-GFCCVEGCSA-N -1 3 361.423 2.614 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@@H]1C[C@@H](C)O ZINC000287520557 257093766 /nfs/dbraw/zinc/09/37/66/257093766.db2.gz VGCVIXIXUMAERA-CZUORRHYSA-N -1 3 359.470 2.750 20 30 FFEDHM Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[N-]c1nc(Cl)c(C#N)s1 ZINC000288179924 257157290 /nfs/dbraw/zinc/15/72/90/257157290.db2.gz BKZGRCMIDNHUJP-VIFPVBQESA-N -1 3 371.875 2.585 20 30 FFEDHM N#Cc1c(F)cccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000116772871 508558866 /nfs/dbraw/zinc/55/88/66/508558866.db2.gz KCPWYHZYRDNRRG-UHFFFAOYSA-N -1 3 359.835 2.803 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-]C2(C#N)CCC2)CC1 ZINC000375092801 512159402 /nfs/dbraw/zinc/15/94/02/512159402.db2.gz DGICLBBDILFZNO-UHFFFAOYSA-N -1 3 357.401 2.831 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000377312515 512211502 /nfs/dbraw/zinc/21/15/02/512211502.db2.gz XFLNTYHJBPNYGY-UHFFFAOYSA-N -1 3 351.815 2.557 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c(Cl)c1 ZINC000377380823 512243348 /nfs/dbraw/zinc/24/33/48/512243348.db2.gz UFNPVORDIQJQDC-UHFFFAOYSA-N -1 3 351.815 2.557 20 30 FFEDHM COC(=O)c1ccc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000005165156 506425428 /nfs/dbraw/zinc/42/54/28/506425428.db2.gz FTEHBVGYLKOYGH-UHFFFAOYSA-N -1 3 367.405 2.530 20 30 FFEDHM COC(=O)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000044630676 506867118 /nfs/dbraw/zinc/86/71/18/506867118.db2.gz NBASGWCEOVMSIT-UHFFFAOYSA-N -1 3 367.405 2.530 20 30 FFEDHM CC(=O)Nc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C ZINC000044756106 506883327 /nfs/dbraw/zinc/88/33/27/506883327.db2.gz WLBIGNVWLKAWJK-UHFFFAOYSA-N -1 3 366.421 2.702 20 30 FFEDHM CC(=O)Nc1ccc(C)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000068026210 507089673 /nfs/dbraw/zinc/08/96/73/507089673.db2.gz ZKLALPGJZSZTIJ-UHFFFAOYSA-N -1 3 366.421 2.702 20 30 FFEDHM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C#N)cc1 ZINC000052505468 507811120 /nfs/dbraw/zinc/81/11/20/507811120.db2.gz FACGUTNYAZVMLB-KSSFIOAISA-N -1 3 363.417 2.746 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000089495704 507843562 /nfs/dbraw/zinc/84/35/62/507843562.db2.gz DRGOBZIWXZLZNN-UHFFFAOYSA-N -1 3 356.419 2.753 20 30 FFEDHM C=C(C)COc1cccc(NC(=O)[C@H]([N-]S(C)(=O)=O)[C@H](C)CC)c1 ZINC000074563021 508035606 /nfs/dbraw/zinc/03/56/06/508035606.db2.gz ROISHTQMMQWMMK-CZUORRHYSA-N -1 3 354.472 2.544 20 30 FFEDHM N#CCCSc1ccccc1[N-]C(=O)c1cn(Cc2ccccn2)nn1 ZINC000080124955 508041475 /nfs/dbraw/zinc/04/14/75/508041475.db2.gz QMDPFEVALKKLAF-UHFFFAOYSA-N -1 3 364.434 2.979 20 30 FFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1nc(N2CCCC2)ncc1Cl ZINC000076462280 508209984 /nfs/dbraw/zinc/20/99/84/508209984.db2.gz UMCWYUBWYQQQOD-UHFFFAOYSA-N -1 3 359.777 2.745 20 30 FFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1nc(N2CCCC2)ncc1Cl ZINC000076462280 508209987 /nfs/dbraw/zinc/20/99/87/508209987.db2.gz UMCWYUBWYQQQOD-UHFFFAOYSA-N -1 3 359.777 2.745 20 30 FFEDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083537782 508247168 /nfs/dbraw/zinc/24/71/68/508247168.db2.gz VGSRGJDKQMXLRY-UHFFFAOYSA-N -1 3 359.329 2.660 20 30 FFEDHM O=S(=O)([N-]CCOCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000103153338 508299498 /nfs/dbraw/zinc/29/94/98/508299498.db2.gz FKWXOVLACCLKCP-UHFFFAOYSA-N -1 3 369.258 2.702 20 30 FFEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000085437036 508308722 /nfs/dbraw/zinc/30/87/22/508308722.db2.gz ODXOAIHHBUBXGS-AWEZNQCLSA-N -1 3 362.227 2.959 20 30 FFEDHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1 ZINC000416472109 513789831 /nfs/dbraw/zinc/78/98/31/513789831.db2.gz MGMORIRMHFVYBH-LBPRGKRZSA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000156996427 508508180 /nfs/dbraw/zinc/50/81/80/508508180.db2.gz DSFLNWXNLWXPMM-AWEZNQCLSA-N -1 3 373.390 2.659 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(OCC(F)F)c1 ZINC000157064821 508518170 /nfs/dbraw/zinc/51/81/70/508518170.db2.gz JWPWCWOPMMRHTH-UHFFFAOYSA-N -1 3 370.352 2.820 20 30 FFEDHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000122456691 508537942 /nfs/dbraw/zinc/53/79/42/508537942.db2.gz BXROGVPVNPESBF-LBPRGKRZSA-N -1 3 351.859 2.850 20 30 FFEDHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000122457214 508538724 /nfs/dbraw/zinc/53/87/24/508538724.db2.gz YVCGJQTYSOYVJS-LBPRGKRZSA-N -1 3 351.859 2.850 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000128213669 508564035 /nfs/dbraw/zinc/56/40/35/508564035.db2.gz WARFGCHYGPIKBW-LBPRGKRZSA-N -1 3 354.391 2.648 20 30 FFEDHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000157826431 508618289 /nfs/dbraw/zinc/61/82/89/508618289.db2.gz UQHBGVKYDUYUBO-CYBMUJFWSA-N -1 3 359.407 2.857 20 30 FFEDHM CC(C)n1cnc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000153801675 508651624 /nfs/dbraw/zinc/65/16/24/508651624.db2.gz MSEKLJRMAIBLIE-UHFFFAOYSA-N -1 3 371.384 2.813 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1n1cccn1 ZINC000124332471 508816755 /nfs/dbraw/zinc/81/67/55/508816755.db2.gz NOGDELDRNCOQNE-LSDHHAIUSA-N -1 3 364.858 2.870 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000124378932 508823353 /nfs/dbraw/zinc/82/33/53/508823353.db2.gz HHIPQWRUPKVGRB-UHFFFAOYSA-N -1 3 350.827 2.707 20 30 FFEDHM Cn1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)cc(Br)c1=O ZINC000155112895 508926004 /nfs/dbraw/zinc/92/60/04/508926004.db2.gz CRSCHIDEJVMBJR-UHFFFAOYSA-N -1 3 368.137 2.550 20 30 FFEDHM N#Cc1ccc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)cc1Cl ZINC000131851192 508975738 /nfs/dbraw/zinc/97/57/38/508975738.db2.gz QWJUFAXWFYDMJH-UHFFFAOYSA-N -1 3 369.808 2.515 20 30 FFEDHM CC(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000132606412 509051516 /nfs/dbraw/zinc/05/15/16/509051516.db2.gz DHYDDPWWAAMEST-MRXNPFEDSA-N -1 3 366.483 2.734 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000151720325 509071942 /nfs/dbraw/zinc/07/19/42/509071942.db2.gz NFFBOKYQBFNMTB-UHFFFAOYSA-N -1 3 355.442 2.746 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000121000384 509106414 /nfs/dbraw/zinc/10/64/14/509106414.db2.gz SNXGVOUGWVJFPE-GOSISDBHSA-N -1 3 365.433 2.982 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000121000221 509106542 /nfs/dbraw/zinc/10/65/42/509106542.db2.gz SNXGVOUGWVJFPE-SFHVURJKSA-N -1 3 365.433 2.982 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000185505725 509212021 /nfs/dbraw/zinc/21/20/21/509212021.db2.gz CXKNIXPMQJVXGA-WQVCFCJDSA-N -1 3 366.870 2.838 20 30 FFEDHM C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000179022591 509228117 /nfs/dbraw/zinc/22/81/17/509228117.db2.gz WRGRWZPATBHNGA-UHFFFAOYSA-N -1 3 369.439 2.976 20 30 FFEDHM C=CCSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000179030273 509232933 /nfs/dbraw/zinc/23/29/33/509232933.db2.gz VVCAHTPMFRYJGW-UHFFFAOYSA-N -1 3 370.374 2.811 20 30 FFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000179364077 509401165 /nfs/dbraw/zinc/40/11/65/509401165.db2.gz MCPKZAXTKMDDGT-ZDUSSCGKSA-N -1 3 358.529 2.696 20 30 FFEDHM C[C@@H](C#N)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000182768048 509418026 /nfs/dbraw/zinc/41/80/26/509418026.db2.gz GWZVWMIQELRXOZ-NSHDSACASA-N -1 3 364.833 2.565 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccncc2)CC1 ZINC000192277402 509439500 /nfs/dbraw/zinc/43/95/00/509439500.db2.gz YRWHPKBUEHBANC-UHFFFAOYSA-N -1 3 364.449 2.597 20 30 FFEDHM COCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCCC1 ZINC000186080653 509513702 /nfs/dbraw/zinc/51/37/02/509513702.db2.gz BVPMFDKFZYJUPR-UHFFFAOYSA-N -1 3 354.447 2.963 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000166265496 509600049 /nfs/dbraw/zinc/60/00/49/509600049.db2.gz VJCJCCLVQAHZNI-UONOGXRCSA-N -1 3 358.822 2.532 20 30 FFEDHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000179862302 509650493 /nfs/dbraw/zinc/65/04/93/509650493.db2.gz DGXPLHNBXFGSHH-HZPDHXFCSA-N -1 3 354.447 2.959 20 30 FFEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1c[n-]c(C(=O)N2CCCC2)c1 ZINC000173644094 509694685 /nfs/dbraw/zinc/69/46/85/509694685.db2.gz AJLJABWUDYQTQK-UHFFFAOYSA-N -1 3 373.434 2.507 20 30 FFEDHM C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000189703694 509710757 /nfs/dbraw/zinc/71/07/57/509710757.db2.gz JSXSASPSHBCWRV-UHFFFAOYSA-N -1 3 362.904 2.542 20 30 FFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)cc1C ZINC000173740792 509747958 /nfs/dbraw/zinc/74/79/58/509747958.db2.gz FBAHGIBIHUBBSU-UHFFFAOYSA-N -1 3 363.370 2.701 20 30 FFEDHM CCC(CC)[C@@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCO1 ZINC000183377808 509748967 /nfs/dbraw/zinc/74/89/67/509748967.db2.gz JDSFRNQYUIOVMS-LPHOPBHVSA-N -1 3 373.497 2.896 20 30 FFEDHM CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000180101114 509753168 /nfs/dbraw/zinc/75/31/68/509753168.db2.gz KHWJQYJMQIHRIV-MZFXBISCSA-N -1 3 374.915 2.570 20 30 FFEDHM COc1ccc(OCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000183432132 509785575 /nfs/dbraw/zinc/78/55/75/509785575.db2.gz SCBZDZOHYITOIM-UHFFFAOYSA-N -1 3 366.826 2.578 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Oc1ccccc1 ZINC000183663025 509913641 /nfs/dbraw/zinc/91/36/41/509913641.db2.gz PURPZGNTZUOGGJ-GFCCVEGCSA-N -1 3 350.827 2.957 20 30 FFEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)s1 ZINC000177171179 509915842 /nfs/dbraw/zinc/91/58/42/509915842.db2.gz HMCAMWGXOGGEAL-UHFFFAOYSA-N -1 3 367.452 2.586 20 30 FFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183667059 509917541 /nfs/dbraw/zinc/91/75/41/509917541.db2.gz DPNSPNDRYANWIP-QMMMGPOBSA-N -1 3 352.225 2.840 20 30 FFEDHM C=CC[C@@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000186862890 509918761 /nfs/dbraw/zinc/91/87/61/509918761.db2.gz HSQXMOTYIFYGEY-LJQANCHMSA-N -1 3 352.434 2.988 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnn1-c1ccccc1 ZINC000174184155 509990455 /nfs/dbraw/zinc/99/04/55/509990455.db2.gz OJLBTEMMNIPNKM-UHFFFAOYSA-N -1 3 361.405 2.620 20 30 FFEDHM C=C(C)CN(C)C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OCC ZINC000180687204 510055597 /nfs/dbraw/zinc/05/55/97/510055597.db2.gz FDCVBSPDQGKYSS-UHFFFAOYSA-N -1 3 350.440 2.775 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1F ZINC000187530021 510315975 /nfs/dbraw/zinc/31/59/75/510315975.db2.gz JSKWGKKTXOJNER-UHFFFAOYSA-N -1 3 373.409 2.739 20 30 FFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1cc(F)cc(F)c1 ZINC000181291800 510342536 /nfs/dbraw/zinc/34/25/36/510342536.db2.gz NARMAJDNGQYOIA-ZETCQYMHSA-N -1 3 360.242 2.664 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187767798 510425178 /nfs/dbraw/zinc/42/51/78/510425178.db2.gz UDOYBFOWKSMJGR-OCCSQVGLSA-N -1 3 372.874 2.726 20 30 FFEDHM COc1cc(Cl)cc(CN2CCN(c3ncccc3C#N)CC2)c1[O-] ZINC000184676510 510455147 /nfs/dbraw/zinc/45/51/47/510455147.db2.gz AZGZKGNGMNJAFW-UHFFFAOYSA-N -1 3 358.829 2.643 20 30 FFEDHM N#Cc1ccc(CN2CC[C@@H]([N-]C(=O)C(F)(F)c3ccccc3)C2=O)cc1 ZINC000191057551 510486513 /nfs/dbraw/zinc/48/65/13/510486513.db2.gz QTSZQBARRPFOCO-QGZVFWFLSA-N -1 3 369.371 2.567 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)ccc1F ZINC000175635021 510704013 /nfs/dbraw/zinc/70/40/13/510704013.db2.gz POUYRWFNCODVPS-LBPRGKRZSA-N -1 3 354.447 2.551 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC2CC(C)C2)CCCC1 ZINC000329940411 510882930 /nfs/dbraw/zinc/88/29/30/510882930.db2.gz ULCVEHUISRXUNS-UHFFFAOYSA-N -1 3 355.460 2.638 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1cccnc1 ZINC000360372004 510901993 /nfs/dbraw/zinc/90/19/93/510901993.db2.gz UNGXFVUZTMLWLC-SFHVURJKSA-N -1 3 350.422 2.967 20 30 FFEDHM CCC(=O)N[C@@H]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000330251409 510948403 /nfs/dbraw/zinc/94/84/03/510948403.db2.gz HOBFIGMRQDHGLR-KUHUBIRLSA-N -1 3 372.425 2.757 20 30 FFEDHM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000330285151 510958561 /nfs/dbraw/zinc/95/85/61/510958561.db2.gz YLCGKTROJQSNLJ-BBRMVZONSA-N -1 3 368.455 2.725 20 30 FFEDHM C=CCC1(c2nc(-c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)no2)CCC1 ZINC000290170599 511129314 /nfs/dbraw/zinc/12/93/14/511129314.db2.gz KOGGZEUALTXOCU-GOSISDBHSA-N -1 3 352.394 2.789 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)cc1Cl ZINC000280164504 511359451 /nfs/dbraw/zinc/35/94/51/511359451.db2.gz BDUHWEQEMDKVKP-NSHDSACASA-N -1 3 366.830 2.630 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(F)F)nc1 ZINC000283527854 511402498 /nfs/dbraw/zinc/40/24/98/511402498.db2.gz FUVWMZICPNOSCZ-UHFFFAOYSA-N -1 3 362.336 2.843 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000295723824 511496130 /nfs/dbraw/zinc/49/61/30/511496130.db2.gz LYPQXMWSNIXPMQ-ONGXEEELSA-N -1 3 361.236 2.949 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)C(C)(C)C)c1 ZINC000273399667 511524800 /nfs/dbraw/zinc/52/48/00/511524800.db2.gz IFIGQOVCTUGEEL-OAHLLOKOSA-N -1 3 356.382 2.609 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000363515754 511599523 /nfs/dbraw/zinc/59/95/23/511599523.db2.gz LADGVHBZXAOHIR-UHFFFAOYSA-N -1 3 362.393 2.632 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000363515754 511599527 /nfs/dbraw/zinc/59/95/27/511599527.db2.gz LADGVHBZXAOHIR-UHFFFAOYSA-N -1 3 362.393 2.632 20 30 FFEDHM CSc1nnc(CCC/N=C/c2ccc(O)c([O-])c2O)n1CC(C)C ZINC000299364093 511608294 /nfs/dbraw/zinc/60/82/94/511608294.db2.gz WYUZOTCRJPIQFH-GIJQJNRQSA-N -1 3 364.471 2.825 20 30 FFEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(C#N)ccc1OC(F)F ZINC000296504052 511770814 /nfs/dbraw/zinc/77/08/14/511770814.db2.gz NUVWFKYIWVIOHE-UHFFFAOYSA-N -1 3 357.313 2.554 20 30 FFEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000296504052 511770817 /nfs/dbraw/zinc/77/08/17/511770817.db2.gz NUVWFKYIWVIOHE-UHFFFAOYSA-N -1 3 357.313 2.554 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000320595799 511815541 /nfs/dbraw/zinc/81/55/41/511815541.db2.gz APIBBRLJTJZJCG-SNVBAGLBSA-N -1 3 357.781 2.964 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccnc(C)c3)no2)ccc1F ZINC000350541386 511835276 /nfs/dbraw/zinc/83/52/76/511835276.db2.gz JMCABPPIIPXCQM-UHFFFAOYSA-N -1 3 374.397 2.710 20 30 FFEDHM Cc1c(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cccc1[N+](=O)[O-] ZINC000326205148 511854259 /nfs/dbraw/zinc/85/42/59/511854259.db2.gz OPGATFNGTWSADC-UHFFFAOYSA-N -1 3 365.798 2.907 20 30 FFEDHM CC1(C)C[C@H](NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)C(C)(C)O1 ZINC000329556015 512069310 /nfs/dbraw/zinc/06/93/10/512069310.db2.gz QFUHHVMFRINREB-FTLABTOESA-N -1 3 366.462 2.744 20 30 FFEDHM N#CCN1CCC[C@@H](CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000275253881 512088329 /nfs/dbraw/zinc/08/83/29/512088329.db2.gz ZSYWAUORVOLFGH-NSHDSACASA-N -1 3 363.874 2.757 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000329726091 512090885 /nfs/dbraw/zinc/09/08/85/512090885.db2.gz OJSWZYMJFOLMOG-VTPLQMEGSA-N -1 3 372.512 2.575 20 30 FFEDHM C[C@@H](CF)NC(=O)C(=O)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000411532354 512677313 /nfs/dbraw/zinc/67/73/13/512677313.db2.gz YZDNKQHUJMTHHW-OIBJUYFYSA-N -1 3 374.256 2.899 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000372049096 512693450 /nfs/dbraw/zinc/69/34/50/512693450.db2.gz PGWSIPYSPAAGHG-QUCCMNQESA-N -1 3 357.454 2.530 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000372049095 512693662 /nfs/dbraw/zinc/69/36/62/512693662.db2.gz PGWSIPYSPAAGHG-ICSRJNTNSA-N -1 3 357.454 2.530 20 30 FFEDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000376359079 512784412 /nfs/dbraw/zinc/78/44/12/512784412.db2.gz MAOPHLYYKMQIQN-WBMJQRKESA-N -1 3 365.480 2.574 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)s1 ZINC000380502882 512873042 /nfs/dbraw/zinc/87/30/42/512873042.db2.gz DQIHRCMGXREVQO-UHFFFAOYSA-N -1 3 371.281 2.903 20 30 FFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1F ZINC000446624162 513299107 /nfs/dbraw/zinc/29/91/07/513299107.db2.gz MDZVKUZOAYDUSD-UHFFFAOYSA-N -1 3 368.773 2.938 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)ccc1C#N ZINC000446816111 513343013 /nfs/dbraw/zinc/34/30/13/513343013.db2.gz CIQHDCSQMMKMCM-UHFFFAOYSA-N -1 3 356.382 2.992 20 30 FFEDHM N#Cc1ccc(Cl)cc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000440647103 513370216 /nfs/dbraw/zinc/37/02/16/513370216.db2.gz GWUDJPUEHPCNDA-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM N#Cc1ccc(Br)c(CN2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000450920273 513405760 /nfs/dbraw/zinc/40/57/60/513405760.db2.gz VJGGIVAJEITOOV-UHFFFAOYSA-N -1 3 363.215 2.789 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000425189924 513444016 /nfs/dbraw/zinc/44/40/16/513444016.db2.gz PACCMLHQURGWQH-SGMGOOAPSA-N -1 3 372.874 2.724 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000425191437 513445523 /nfs/dbraw/zinc/44/55/23/513445523.db2.gz WABGYQHTMSYZFH-DTWKUNHWSA-N -1 3 352.309 2.695 20 30 FFEDHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451171814 513566811 /nfs/dbraw/zinc/56/68/11/513566811.db2.gz UATAFBAHMSMGKI-KRWDZBQOSA-N -1 3 360.410 2.867 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Br)cn1 ZINC000435419334 513576358 /nfs/dbraw/zinc/57/63/58/513576358.db2.gz VRBDYWABLVJIPC-MRVPVSSYSA-N -1 3 372.269 2.817 20 30 FFEDHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000447884327 513615162 /nfs/dbraw/zinc/61/51/62/513615162.db2.gz XBCDFVZYFXPISW-CYBMUJFWSA-N -1 3 357.845 2.899 20 30 FFEDHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)o1 ZINC000442817694 513787040 /nfs/dbraw/zinc/78/70/40/513787040.db2.gz GTRWDIWIAYJXEI-LLVKDONJSA-N -1 3 363.395 2.668 20 30 FFEDHM C=C(C[N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)c1ccccc1 ZINC000451552018 513827558 /nfs/dbraw/zinc/82/75/58/513827558.db2.gz MEZLGEVULFLXCR-CYBMUJFWSA-N -1 3 365.373 2.503 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1OC)CC(F)(F)F ZINC000416587944 513850154 /nfs/dbraw/zinc/85/01/54/513850154.db2.gz DZHSOXFRIUMLSN-JTQLQIEISA-N -1 3 350.362 2.824 20 30 FFEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CS1 ZINC000416593186 513854589 /nfs/dbraw/zinc/85/45/89/513854589.db2.gz PEOZWEGDKSZGAE-WCBMZHEXSA-N -1 3 350.387 2.749 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000436667658 513935186 /nfs/dbraw/zinc/93/51/86/513935186.db2.gz UPGCJISNEDLJMY-CQSZACIVSA-N -1 3 351.406 2.570 20 30 FFEDHM COc1ccc([C@@H](C#N)N2CCN(C(=O)c3cccc(C)c3[O-])CC2)cc1 ZINC000436757111 513969127 /nfs/dbraw/zinc/96/91/27/513969127.db2.gz UBCJYYREXBRTGV-LJQANCHMSA-N -1 3 365.433 2.732 20 30 FFEDHM N#Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)nc2ccccc12 ZINC000436806244 513989445 /nfs/dbraw/zinc/98/94/45/513989445.db2.gz HQRJXFKEMWYICB-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1CCc2ccccc2CC1 ZINC000451956822 514093948 /nfs/dbraw/zinc/09/39/48/514093948.db2.gz RYMHAEQJTVHTNE-UHFFFAOYSA-N -1 3 371.418 2.692 20 30 FFEDHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1sccc1OC)C(C)C ZINC000444108051 514125012 /nfs/dbraw/zinc/12/50/12/514125012.db2.gz VXGYJNFMGPPNDH-AWEZNQCLSA-N -1 3 358.529 2.734 20 30 FFEDHM C=C[C@@H]1CCCCN1C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC ZINC000427715729 514291959 /nfs/dbraw/zinc/29/19/59/514291959.db2.gz RNHALNHNTOUDCO-GFCCVEGCSA-N -1 3 362.451 2.918 20 30 FFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433227083 514428646 /nfs/dbraw/zinc/42/86/46/514428646.db2.gz JUPOLYYERYTRHT-OAHLLOKOSA-N -1 3 357.435 2.769 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)Oc1cccc(Cl)c1 ZINC000428398037 514466623 /nfs/dbraw/zinc/46/66/23/514466623.db2.gz HEQZKYPCBYYEOV-ZDUSSCGKSA-N -1 3 365.842 2.743 20 30 FFEDHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000445754808 514516808 /nfs/dbraw/zinc/51/68/08/514516808.db2.gz CEWNYEABXGMFIJ-MRXNPFEDSA-N -1 3 356.875 2.821 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)NCCc1ccc(C(C)C)cc1 ZINC000470819959 514625306 /nfs/dbraw/zinc/62/53/06/514625306.db2.gz HLLBQPAKPYIDTB-UHFFFAOYSA-N -1 3 360.483 2.744 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(NC(=O)C(C)C)c3)nc1-2 ZINC000497938317 514691773 /nfs/dbraw/zinc/69/17/73/514691773.db2.gz ONCXTXKVHRSAGA-CYBMUJFWSA-N -1 3 362.393 2.746 20 30 FFEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cnc(C)c(C#N)c3)o2)cs1 ZINC000489089866 514703860 /nfs/dbraw/zinc/70/38/60/514703860.db2.gz SAMOYURGFTUIKX-UHFFFAOYSA-N -1 3 374.447 2.765 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCCC[C@@H]1C ZINC000475540024 514707748 /nfs/dbraw/zinc/70/77/48/514707748.db2.gz AFVTZKCFDRQOOQ-QWHCGFSZSA-N -1 3 355.891 2.753 20 30 FFEDHM N#CCCN(Cc1ccccn1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484772942 514791922 /nfs/dbraw/zinc/79/19/22/514791922.db2.gz YUPBNIMURFQGEI-UHFFFAOYSA-N -1 3 368.343 2.757 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000476304971 514991094 /nfs/dbraw/zinc/99/10/94/514991094.db2.gz IPCPBCYRHJPSPW-MRXNPFEDSA-N -1 3 354.447 2.907 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000489908940 515027558 /nfs/dbraw/zinc/02/75/58/515027558.db2.gz OIQYZOPMLHUSAT-UHFFFAOYSA-N -1 3 372.469 2.973 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N=c2nc(SCCC)[n-]s2)CC1 ZINC000476485720 515067670 /nfs/dbraw/zinc/06/76/70/515067670.db2.gz QXCKHKWCFVPUQP-UHFFFAOYSA-N -1 3 355.533 2.624 20 30 FFEDHM C=CCC1(NC(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCCCC1 ZINC000456369576 515134029 /nfs/dbraw/zinc/13/40/29/515134029.db2.gz BOVKFRHDPNMNRU-UHFFFAOYSA-N -1 3 368.474 2.889 20 30 FFEDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000503819181 515145836 /nfs/dbraw/zinc/14/58/36/515145836.db2.gz ALSOPKPXBBARAF-INIZCTEOSA-N -1 3 364.854 2.786 20 30 FFEDHM COC1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)CCC(C)CC1 ZINC000480966076 515154881 /nfs/dbraw/zinc/15/48/81/515154881.db2.gz SMRHJTIZQBVIFY-UHFFFAOYSA-N -1 3 354.447 2.712 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000481055458 515190428 /nfs/dbraw/zinc/19/04/28/515190428.db2.gz HXLKCLUFDOKNAX-QGZVFWFLSA-N -1 3 366.389 2.644 20 30 FFEDHM C=CCC1(CNC(=O)CC[N-]S(=O)(=O)c2ccccc2F)CCCC1 ZINC000456481018 515211081 /nfs/dbraw/zinc/21/10/81/515211081.db2.gz AFKPWKJDULMTCA-UHFFFAOYSA-N -1 3 368.474 2.747 20 30 FFEDHM C=CCCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000468396176 515339206 /nfs/dbraw/zinc/33/92/06/515339206.db2.gz VHQPWWWGSITWMN-UHFFFAOYSA-N -1 3 365.282 2.744 20 30 FFEDHM CC[C@@]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)(C(=O)OC)c1ccccc1 ZINC000510487332 515554293 /nfs/dbraw/zinc/55/42/93/515554293.db2.gz APFHKWWVXMTROE-IBGZPJMESA-N -1 3 372.446 2.624 20 30 FFEDHM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2nc3n(n2)CCCC3)c1 ZINC000457154258 515692288 /nfs/dbraw/zinc/69/22/88/515692288.db2.gz PBOHTVQGGZOEJP-UHFFFAOYSA-N -1 3 363.377 2.910 20 30 FFEDHM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464410509 515813660 /nfs/dbraw/zinc/81/36/60/515813660.db2.gz XCVKCUXPTPLOPV-CYBMUJFWSA-N -1 3 362.311 2.759 20 30 FFEDHM N#CC(=C([O-])c1ccc(-n2cnnn2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464411188 515813934 /nfs/dbraw/zinc/81/39/34/515813934.db2.gz LKWKAEMYQSPISY-CYBMUJFWSA-N -1 3 358.283 2.566 20 30 FFEDHM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464429502 515821054 /nfs/dbraw/zinc/82/10/54/515821054.db2.gz WIMIFUDSMCKVOE-CYBMUJFWSA-N -1 3 358.283 2.566 20 30 FFEDHM C[C@@H](CC#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469647105 515903373 /nfs/dbraw/zinc/90/33/73/515903373.db2.gz CNTFVYNKDDNJGI-ZETCQYMHSA-N -1 3 368.618 2.976 20 30 FFEDHM C[C@@H](CC#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469647105 515903378 /nfs/dbraw/zinc/90/33/78/515903378.db2.gz CNTFVYNKDDNJGI-ZETCQYMHSA-N -1 3 368.618 2.976 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000483560988 516133057 /nfs/dbraw/zinc/13/30/57/516133057.db2.gz MPLGHSFFTMNPFA-UHFFFAOYSA-N -1 3 364.331 2.593 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000483560988 516133062 /nfs/dbraw/zinc/13/30/62/516133062.db2.gz MPLGHSFFTMNPFA-UHFFFAOYSA-N -1 3 364.331 2.593 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000483560988 516133069 /nfs/dbraw/zinc/13/30/69/516133069.db2.gz MPLGHSFFTMNPFA-UHFFFAOYSA-N -1 3 364.331 2.593 20 30 FFEDHM C[C@@H](NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(C#N)cc1F ZINC000512626714 516315122 /nfs/dbraw/zinc/31/51/22/516315122.db2.gz VWIDKEFWIPQMIG-ODXCJYRJSA-N -1 3 366.396 2.603 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc2c(c1)OCCO2 ZINC000557791643 516440950 /nfs/dbraw/zinc/44/09/50/516440950.db2.gz WGWGPVHOYSEQDI-QGZVFWFLSA-N -1 3 362.407 2.598 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(C#N)c2C)cc1OC ZINC000513057148 516457352 /nfs/dbraw/zinc/45/73/52/516457352.db2.gz DLRPGESVACCJPD-UHFFFAOYSA-N -1 3 373.434 2.889 20 30 FFEDHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000540214685 516477366 /nfs/dbraw/zinc/47/73/66/516477366.db2.gz JOVCGLLUTPZQMD-UHFFFAOYSA-N -1 3 366.446 2.920 20 30 FFEDHM COc1cc(=NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[n-]n1C ZINC000547816339 516578894 /nfs/dbraw/zinc/57/88/94/516578894.db2.gz MQXMMDFKYICUPZ-UHFFFAOYSA-N -1 3 362.389 2.554 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000540531785 516604495 /nfs/dbraw/zinc/60/44/95/516604495.db2.gz KVMDZMRQQWHFRN-GFCCVEGCSA-N -1 3 370.453 2.869 20 30 FFEDHM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)C(=O)[N-]c1sccc1C#N ZINC000551295055 516646927 /nfs/dbraw/zinc/64/69/27/516646927.db2.gz ZZAYXHBZQCJSHY-UHFFFAOYSA-N -1 3 357.439 2.629 20 30 FFEDHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCC(C)(C)CCC#N ZINC000561652065 516699705 /nfs/dbraw/zinc/69/97/05/516699705.db2.gz CUOUKZKZGWNKNB-UHFFFAOYSA-N -1 3 367.453 2.519 20 30 FFEDHM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000548124165 516778960 /nfs/dbraw/zinc/77/89/60/516778960.db2.gz CUKVMHXQKGTGQG-MRXNPFEDSA-N -1 3 361.854 2.677 20 30 FFEDHM CC1(C)c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2NC1=O ZINC000551927585 516964687 /nfs/dbraw/zinc/96/46/87/516964687.db2.gz FWRGMRWVFFHAGX-CYBMUJFWSA-N -1 3 363.421 2.724 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2n[nH]c3ccccc32)no1 ZINC000544936907 516993623 /nfs/dbraw/zinc/99/36/23/516993623.db2.gz GOLMBICLQYAISF-UHFFFAOYSA-N -1 3 360.377 2.987 20 30 FFEDHM Cc1ncc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)c(=O)[n-]1 ZINC000541458565 517058600 /nfs/dbraw/zinc/05/86/00/517058600.db2.gz LTEUSCBJSDZAOP-UHFFFAOYSA-N -1 3 374.400 2.871 20 30 FFEDHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(C)C ZINC000548695013 517150488 /nfs/dbraw/zinc/15/04/88/517150488.db2.gz IVRGEBONNTZLPA-QGZVFWFLSA-N -1 3 365.474 2.674 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(S(=O)(=O)C(C)C)c2)nc(C)n1 ZINC000545327293 517177386 /nfs/dbraw/zinc/17/73/86/517177386.db2.gz YRNPUNGHJMCMJO-INIZCTEOSA-N -1 3 357.435 2.766 20 30 FFEDHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000520175386 517289373 /nfs/dbraw/zinc/28/93/73/517289373.db2.gz ZSHOVUVLHNGQPB-UHFFFAOYSA-N -1 3 350.362 2.670 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000520304758 517337120 /nfs/dbraw/zinc/33/71/20/517337120.db2.gz NBQHCKSDCYYSQF-RDTXWAMCSA-N -1 3 360.410 2.753 20 30 FFEDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1C ZINC000533554629 517522603 /nfs/dbraw/zinc/52/26/03/517522603.db2.gz GOHYHIWUWKBXGP-UHFFFAOYSA-N -1 3 352.847 2.523 20 30 FFEDHM C=CCC(C)(C)c1noc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000560023064 517540689 /nfs/dbraw/zinc/54/06/89/517540689.db2.gz ADOCPXMBQMUMSP-UHFFFAOYSA-N -1 3 371.409 2.723 20 30 FFEDHM N#CC(=C([O-])c1cc(Br)c2c(c1)OCCO2)c1ccncn1 ZINC000546154321 517573123 /nfs/dbraw/zinc/57/31/23/517573123.db2.gz YGAZFTSSUULWRF-SNVBAGLBSA-N -1 3 360.167 2.500 20 30 FFEDHM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)C2)nc1 ZINC000553242713 517597044 /nfs/dbraw/zinc/59/70/44/517597044.db2.gz AEANIVLDGKDKQR-MRXNPFEDSA-N -1 3 363.417 2.831 20 30 FFEDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCCC1 ZINC000542797030 517748213 /nfs/dbraw/zinc/74/82/13/517748213.db2.gz RKFFMAGXMJVFFO-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000563492760 517934726 /nfs/dbraw/zinc/93/47/26/517934726.db2.gz ALTIQNXCUVYWBO-CQSZACIVSA-N -1 3 352.431 2.858 20 30 FFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000522053947 517968460 /nfs/dbraw/zinc/96/84/60/517968460.db2.gz UOARSVANMHQDQL-UHFFFAOYSA-N -1 3 362.407 2.947 20 30 FFEDHM CN(c1cccc([O-])c1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000530774317 517973289 /nfs/dbraw/zinc/97/32/89/517973289.db2.gz HKZIBEFACJUGRC-UHFFFAOYSA-N -1 3 367.224 2.851 20 30 FFEDHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000539384711 518020065 /nfs/dbraw/zinc/02/00/65/518020065.db2.gz CROYBJBLSNWNBS-WBVHZDCISA-N -1 3 360.410 2.930 20 30 FFEDHM C[C@](C#N)(NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CCCCC1 ZINC000572750687 518344695 /nfs/dbraw/zinc/34/46/95/518344695.db2.gz IKVRJHPDAFYAOB-QGZVFWFLSA-N -1 3 367.446 2.790 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1nc(C(F)(F)F)cs1 ZINC000589230145 518958929 /nfs/dbraw/zinc/95/89/29/518958929.db2.gz UKBGQSJPTINSCT-MRVPVSSYSA-N -1 3 353.391 2.836 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@@](C)(C#N)C2CCCCC2)c([O-])c1 ZINC000574121182 518995793 /nfs/dbraw/zinc/99/57/93/518995793.db2.gz PIBBCENLCWLBCV-FQEVSTJZSA-N -1 3 357.454 2.799 20 30 FFEDHM N#C[C@]1(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC12CCCC2 ZINC000577348500 519033529 /nfs/dbraw/zinc/03/35/29/519033529.db2.gz FLPNJNHJGKILED-NRFANRHFSA-N -1 3 367.449 2.587 20 30 FFEDHM Cc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000571485138 519117837 /nfs/dbraw/zinc/11/78/37/519117837.db2.gz FKOLRBHQEFSGKB-AWEZNQCLSA-N -1 3 362.838 2.802 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000583196753 519125356 /nfs/dbraw/zinc/12/53/56/519125356.db2.gz SSAQSODUCAAVHP-UHFFFAOYSA-N -1 3 368.474 2.699 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cccc(Cl)c1 ZINC000583656222 519361703 /nfs/dbraw/zinc/36/17/03/519361703.db2.gz LWBNUAVCJPCAQH-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc(CC#N)cc2)o1 ZINC000581008949 519476292 /nfs/dbraw/zinc/47/62/92/519476292.db2.gz JTVZHQKVRNNESA-KRWDZBQOSA-N -1 3 362.451 2.715 20 30 FFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000594483948 519991952 /nfs/dbraw/zinc/99/19/52/519991952.db2.gz GOQBFOPOWVPOLE-LBPRGKRZSA-N -1 3 358.485 2.512 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000594485105 519995558 /nfs/dbraw/zinc/99/55/58/519995558.db2.gz WKKMTQSCJVZFNB-HUUCEWRRSA-N -1 3 353.875 2.507 20 30 FFEDHM COc1cccc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c1F ZINC000594577118 520036525 /nfs/dbraw/zinc/03/65/25/520036525.db2.gz NMWUKDKWCNLYMU-SFHVURJKSA-N -1 3 360.410 2.564 20 30 FFEDHM C=CCN(C(=O)Cc1cncc([O-])c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000597535050 520088024 /nfs/dbraw/zinc/08/80/24/520088024.db2.gz VZBONJIUUIRMCY-LJQANCHMSA-N -1 3 368.433 2.519 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCO[C@H](C)C1 ZINC000594766520 520143739 /nfs/dbraw/zinc/14/37/39/520143739.db2.gz CZXGDYYICSCHOA-MFKMUULPSA-N -1 3 350.465 2.927 20 30 FFEDHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]CCCC#N ZINC000594774091 520149711 /nfs/dbraw/zinc/14/97/11/520149711.db2.gz XEPUIJKEJUEGSV-UHFFFAOYSA-N -1 3 361.261 2.820 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCOC1(C)C ZINC000594777551 520153117 /nfs/dbraw/zinc/15/31/17/520153117.db2.gz VHSOWLYENIAJLY-AWEZNQCLSA-N -1 3 350.465 2.927 20 30 FFEDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)O1 ZINC000594851184 520187714 /nfs/dbraw/zinc/18/77/14/520187714.db2.gz HBSVENLNZYJAPL-GXFFZTMASA-N -1 3 373.272 2.557 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1(CO)CC=CC1 ZINC000592103283 520187668 /nfs/dbraw/zinc/18/76/68/520187668.db2.gz ZEIQJWZRGFACBF-MRXNPFEDSA-N -1 3 368.886 2.843 20 30 FFEDHM COc1ccnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1F ZINC000594854716 520190286 /nfs/dbraw/zinc/19/02/86/520190286.db2.gz WPRFMXPJMORJQN-UHFFFAOYSA-N -1 3 363.414 2.509 20 30 FFEDHM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000592112016 520191173 /nfs/dbraw/zinc/19/11/73/520191173.db2.gz KRMSKQFUNATYGS-GZMMTYOYSA-N -1 3 350.387 2.749 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000594862329 520195747 /nfs/dbraw/zinc/19/57/47/520195747.db2.gz BFVKEYPFJCERRI-CABCVRRESA-N -1 3 362.476 2.663 20 30 FFEDHM CSc1nc(C2CC2)cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1C#N ZINC000597844615 520275127 /nfs/dbraw/zinc/27/51/27/520275127.db2.gz ZHSMTQLCKNQVQI-OAHLLOKOSA-N -1 3 369.450 2.801 20 30 FFEDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000595352375 520422996 /nfs/dbraw/zinc/42/29/96/520422996.db2.gz DIRLENJCPCILMP-ZWKOTPCHSA-N -1 3 362.426 2.734 20 30 FFEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000609922005 520482093 /nfs/dbraw/zinc/48/20/93/520482093.db2.gz HAEZUOJRYGONRS-UHFFFAOYSA-N -1 3 365.433 2.678 20 30 FFEDHM CO[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCCC1 ZINC000598438253 520617685 /nfs/dbraw/zinc/61/76/85/520617685.db2.gz TZWJOFOUJHRWOY-GOSISDBHSA-N -1 3 359.470 2.920 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cs1 ZINC000610583535 520751706 /nfs/dbraw/zinc/75/17/06/520751706.db2.gz XOZVUWHHBRXHSP-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM N#CCC[C@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000601376409 520763979 /nfs/dbraw/zinc/76/39/79/520763979.db2.gz FSIYBNFBDSYZHX-NSHDSACASA-N -1 3 358.345 2.752 20 30 FFEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000598698730 520793587 /nfs/dbraw/zinc/79/35/87/520793587.db2.gz VDSPFJOFRMPRSX-MRXNPFEDSA-N -1 3 374.803 2.602 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000601501207 520815233 /nfs/dbraw/zinc/81/52/33/520815233.db2.gz JYTCRULGSNCMFA-HTAVTVPLSA-N -1 3 357.394 2.535 20 30 FFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4c([nH]c3=O)CCCC4=O)nc21 ZINC000605363125 520846933 /nfs/dbraw/zinc/84/69/33/520846933.db2.gz KEIDCSSJJSCPLA-CYBMUJFWSA-N -1 3 360.373 2.981 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)cn1CC1CC1 ZINC000596044038 520875833 /nfs/dbraw/zinc/87/58/33/520875833.db2.gz NKIOIWFYISNEQU-HNNXBMFYSA-N -1 3 350.488 2.606 20 30 FFEDHM COc1cccc(F)c1C(=O)[N-]c1sc2c(c1C#N)CCN(C(C)=O)C2 ZINC000598888586 520902469 /nfs/dbraw/zinc/90/24/69/520902469.db2.gz LSNSYUJIYTUDDA-UHFFFAOYSA-N -1 3 373.409 2.924 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](Cn1cccn1)c1ccccc1 ZINC000611022975 520950296 /nfs/dbraw/zinc/95/02/96/520950296.db2.gz YLECLKSUYHBBJN-KRWDZBQOSA-N -1 3 370.409 2.614 20 30 FFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccsc2C#N)CCCC1 ZINC000593546653 521067568 /nfs/dbraw/zinc/06/75/68/521067568.db2.gz IMACRTKIUVZVES-UHFFFAOYSA-N -1 3 356.469 2.553 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCCN(c2ccccc2)C1 ZINC000593584704 521093065 /nfs/dbraw/zinc/09/30/65/521093065.db2.gz CWAPRYOTIDYWJL-CQSZACIVSA-N -1 3 361.492 2.815 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c1 ZINC000593631712 521119490 /nfs/dbraw/zinc/11/94/90/521119490.db2.gz MFBNIPZZXIDAFY-INIZCTEOSA-N -1 3 354.859 2.695 20 30 FFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1 ZINC000599317795 521146946 /nfs/dbraw/zinc/14/69/46/521146946.db2.gz XTEFYKKQCOTLTD-UHFFFAOYSA-N -1 3 359.329 2.660 20 30 FFEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F ZINC000618696149 521190550 /nfs/dbraw/zinc/19/05/50/521190550.db2.gz ILBGOTDMPRNFJG-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM N#C[C@H](CCc1ccccc1)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000602194682 521202431 /nfs/dbraw/zinc/20/24/31/521202431.db2.gz LGMWJCVKDDUZPB-INIZCTEOSA-N -1 3 350.422 2.838 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618739805 521207299 /nfs/dbraw/zinc/20/72/99/521207299.db2.gz SIZDFYVKHCYAQJ-IBGZPJMESA-N -1 3 360.417 2.884 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000611539232 521209189 /nfs/dbraw/zinc/20/91/89/521209189.db2.gz GMIYHBOUKXNCSU-GLQYFDAESA-N -1 3 354.859 2.694 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1F)[C@H](C)O ZINC000593787363 521212985 /nfs/dbraw/zinc/21/29/85/521212985.db2.gz IEPVNDAKCIQHGP-DJJJIMSYSA-N -1 3 371.412 2.586 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cn(C[C@@H]3CCOC3)nn2)sc2c1CCCCC2 ZINC000602225364 521220998 /nfs/dbraw/zinc/22/09/98/521220998.db2.gz BRYKFYQHOCNWOV-LBPRGKRZSA-N -1 3 371.466 2.769 20 30 FFEDHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000599446701 521232390 /nfs/dbraw/zinc/23/23/90/521232390.db2.gz WUOQFLMRVFKHTD-UHFFFAOYSA-N -1 3 361.370 2.816 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594203293 521467649 /nfs/dbraw/zinc/46/76/49/521467649.db2.gz KPWLTBOWPQUFBN-HNNXBMFYSA-N -1 3 357.454 2.816 20 30 FFEDHM N#C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc(Br)c1 ZINC000594257277 521512802 /nfs/dbraw/zinc/51/28/02/521512802.db2.gz DHKVODZKCSSIKQ-CYBMUJFWSA-N -1 3 373.210 2.817 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000612172713 521519478 /nfs/dbraw/zinc/51/94/78/521519478.db2.gz GIZUKJXMXGMMCM-GFCCVEGCSA-N -1 3 370.764 2.902 20 30 FFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccnn1C ZINC000615947399 521585560 /nfs/dbraw/zinc/58/55/60/521585560.db2.gz WLPJLCMPFNUQLK-ZDUSSCGKSA-N -1 3 366.874 2.663 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000619871419 521913520 /nfs/dbraw/zinc/91/35/20/521913520.db2.gz HKVAZEXYCBTFOQ-RDJZCZTQSA-N -1 3 350.422 2.523 20 30 FFEDHM C=CCn1c(C2CCCC2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634342098 523358983 /nfs/dbraw/zinc/35/89/83/523358983.db2.gz ZLRGVPDQBHBJFK-UHFFFAOYSA-N -1 3 355.490 2.750 20 30 FFEDHM C=CC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000628317787 523479243 /nfs/dbraw/zinc/47/92/43/523479243.db2.gz ZIQBYENDBBUQNS-UHFFFAOYSA-N -1 3 373.478 2.636 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000628489761 523578031 /nfs/dbraw/zinc/57/80/31/523578031.db2.gz GPQJUCYICBFNMI-ZDUSSCGKSA-N -1 3 355.394 2.979 20 30 FFEDHM C[C@]1(c2ccc(CNc3cc(C#N)c4ccccc4n3)cc2)NC(=O)[N-]C1=O ZINC000522935888 562206362 /nfs/dbraw/zinc/20/63/62/562206362.db2.gz RPEJOEKGPSHXEY-OAQYLSRUSA-N -1 3 371.400 2.773 20 30 FFEDHM CCN=c1[n-]c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cs1 ZINC000530059950 562396329 /nfs/dbraw/zinc/39/63/29/562396329.db2.gz RDSRSSRSBPEAFZ-UHFFFAOYSA-N -1 3 356.451 2.882 20 30 FFEDHM Cc1cccc(OCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C ZINC000737401680 598914047 /nfs/dbraw/zinc/91/40/47/598914047.db2.gz PKCKPUUUJZTLFM-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM Cc1cccc(OCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C ZINC000737401680 598914048 /nfs/dbraw/zinc/91/40/48/598914048.db2.gz PKCKPUUUJZTLFM-UHFFFAOYSA-N -1 3 362.393 2.763 20 30 FFEDHM CC(C)c1cccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000735931986 598917895 /nfs/dbraw/zinc/91/78/95/598917895.db2.gz ICSPLWXPRJDWIC-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM CC(C)c1cccc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000735931986 598917897 /nfs/dbraw/zinc/91/78/97/598917897.db2.gz ICSPLWXPRJDWIC-UHFFFAOYSA-N -1 3 362.393 2.879 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1-c1nnn[n-]1 ZINC000737718229 598928671 /nfs/dbraw/zinc/92/86/71/598928671.db2.gz GDWJEWPCTWCVKN-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1-c1nn[n-]n1 ZINC000737718229 598928672 /nfs/dbraw/zinc/92/86/72/598928672.db2.gz GDWJEWPCTWCVKN-UHFFFAOYSA-N -1 3 357.333 2.646 20 30 FFEDHM N#CCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000737693957 598999156 /nfs/dbraw/zinc/99/91/56/598999156.db2.gz USPRVMOJPVTKFC-UHFFFAOYSA-N -1 3 374.404 2.574 20 30 FFEDHM N#CCN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000737693957 598999159 /nfs/dbraw/zinc/99/91/59/598999159.db2.gz USPRVMOJPVTKFC-UHFFFAOYSA-N -1 3 374.404 2.574 20 30 FFEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1cc(C#N)ccc1F ZINC000822336480 599074150 /nfs/dbraw/zinc/07/41/50/599074150.db2.gz QPNVRVLTVWKGBX-UHFFFAOYSA-N -1 3 359.368 2.768 20 30 FFEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1cc(C#N)ccc1F ZINC000822336480 599074151 /nfs/dbraw/zinc/07/41/51/599074151.db2.gz QPNVRVLTVWKGBX-UHFFFAOYSA-N -1 3 359.368 2.768 20 30 FFEDHM O=C1C(=Cc2ccc3c(c2)OCCO3)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503252 599116652 /nfs/dbraw/zinc/11/66/52/599116652.db2.gz CLAZWPJVUFCUKI-NTEUORMPSA-N -1 3 360.373 2.850 20 30 FFEDHM O=C1C(=Cc2ccc3c(c2)OCCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503252 599116654 /nfs/dbraw/zinc/11/66/54/599116654.db2.gz CLAZWPJVUFCUKI-NTEUORMPSA-N -1 3 360.373 2.850 20 30 FFEDHM COc1ccc(CN=Nc2ncccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737083333 599129486 /nfs/dbraw/zinc/12/94/86/599129486.db2.gz QMOVIVYERCJIOJ-UHFFFAOYSA-N -1 3 363.303 2.735 20 30 FFEDHM COc1ccc(CN=Nc2ncccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737083333 599129488 /nfs/dbraw/zinc/12/94/88/599129488.db2.gz QMOVIVYERCJIOJ-UHFFFAOYSA-N -1 3 363.303 2.735 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1-c1nnn[n-]1 ZINC000737715980 599196371 /nfs/dbraw/zinc/19/63/71/599196371.db2.gz JHPSVKMHZZPFHO-AWEZNQCLSA-N -1 3 362.418 2.956 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1-c1nn[n-]n1 ZINC000737715980 599196372 /nfs/dbraw/zinc/19/63/72/599196372.db2.gz JHPSVKMHZZPFHO-AWEZNQCLSA-N -1 3 362.418 2.956 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000737716053 599196511 /nfs/dbraw/zinc/19/65/11/599196511.db2.gz KSZHYKFEFFUOKB-KBPBESRZSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000737716053 599196513 /nfs/dbraw/zinc/19/65/13/599196513.db2.gz KSZHYKFEFFUOKB-KBPBESRZSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737716773 599194267 /nfs/dbraw/zinc/19/42/67/599194267.db2.gz UTURMOCPROPLRU-UHFFFAOYSA-N -1 3 368.784 2.799 20 30 FFEDHM N#Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737716773 599194269 /nfs/dbraw/zinc/19/42/69/599194269.db2.gz UTURMOCPROPLRU-UHFFFAOYSA-N -1 3 368.784 2.799 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000822015247 607295633 /nfs/dbraw/zinc/29/56/33/607295633.db2.gz GFAOWCXKOCXMCQ-UHFFFAOYSA-N -1 3 362.393 2.843 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822015247 607295634 /nfs/dbraw/zinc/29/56/34/607295634.db2.gz GFAOWCXKOCXMCQ-UHFFFAOYSA-N -1 3 362.393 2.843 20 30 FFEDHM N#CCn1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc2ccccc21 ZINC000737703826 598288940 /nfs/dbraw/zinc/28/89/40/598288940.db2.gz BXFWIFCVRYUHEO-UHFFFAOYSA-N -1 3 358.361 2.702 20 30 FFEDHM N#CCn1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC000737703826 598288941 /nfs/dbraw/zinc/28/89/41/598288941.db2.gz BXFWIFCVRYUHEO-UHFFFAOYSA-N -1 3 358.361 2.702 20 30 FFEDHM COc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000737072233 598314382 /nfs/dbraw/zinc/31/43/82/598314382.db2.gz KPGLEYNSILQPJL-UHFFFAOYSA-N -1 3 365.397 2.670 20 30 FFEDHM COc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000737072233 598314384 /nfs/dbraw/zinc/31/43/84/598314384.db2.gz KPGLEYNSILQPJL-UHFFFAOYSA-N -1 3 365.397 2.670 20 30 FFEDHM C=CCN(Cc1cn(-c2ccccc2)nn1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426878 598369151 /nfs/dbraw/zinc/36/91/51/598369151.db2.gz ZGHXFPUYARATFT-UHFFFAOYSA-N -1 3 372.436 2.636 20 30 FFEDHM C=CCN(Cc1cn(-c2ccccc2)nn1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426878 598369153 /nfs/dbraw/zinc/36/91/53/598369153.db2.gz ZGHXFPUYARATFT-UHFFFAOYSA-N -1 3 372.436 2.636 20 30 FFEDHM N#Cc1cccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737723119 598478947 /nfs/dbraw/zinc/47/89/47/598478947.db2.gz PYUSGAMGJSBXIH-UHFFFAOYSA-N -1 3 373.420 2.613 20 30 FFEDHM N#Cc1cccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737723119 598478948 /nfs/dbraw/zinc/47/89/48/598478948.db2.gz PYUSGAMGJSBXIH-UHFFFAOYSA-N -1 3 373.420 2.613 20 30 FFEDHM C#CCOc1cccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735381568 598513937 /nfs/dbraw/zinc/51/39/37/598513937.db2.gz VXXREZKZYMHZEI-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM C#CCOc1cccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735381568 598513939 /nfs/dbraw/zinc/51/39/39/598513939.db2.gz VXXREZKZYMHZEI-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000737716571 598552101 /nfs/dbraw/zinc/55/21/01/598552101.db2.gz SCORFBRTSREIIG-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000737716571 598552102 /nfs/dbraw/zinc/55/21/02/598552102.db2.gz SCORFBRTSREIIG-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnn(C(C)C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202204 598761659 /nfs/dbraw/zinc/76/16/59/598761659.db2.gz LJFIAGJJDPJPOY-SREVYHEPSA-N -1 3 351.414 2.596 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnn(C(C)C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202204 598761661 /nfs/dbraw/zinc/76/16/61/598761661.db2.gz LJFIAGJJDPJPOY-SREVYHEPSA-N -1 3 351.414 2.596 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735436962 598818150 /nfs/dbraw/zinc/81/81/50/598818150.db2.gz ANJMIPXDBXNFFC-UHFFFAOYSA-N -1 3 351.366 2.800 20 30 FFEDHM C=CCOCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735436962 598818152 /nfs/dbraw/zinc/81/81/52/598818152.db2.gz ANJMIPXDBXNFFC-UHFFFAOYSA-N -1 3 351.366 2.800 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000819743731 599317216 /nfs/dbraw/zinc/31/72/16/599317216.db2.gz PDILWPJAOROXHZ-YOEHRIQHSA-N -1 3 355.442 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000819743731 599317217 /nfs/dbraw/zinc/31/72/17/599317217.db2.gz PDILWPJAOROXHZ-YOEHRIQHSA-N -1 3 355.442 2.729 20 30 FFEDHM CCOc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)ccc1OC ZINC000821417246 607370619 /nfs/dbraw/zinc/37/06/19/607370619.db2.gz JZKBGWZIEFJUID-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM CCOc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)ccc1OC ZINC000821417246 607370621 /nfs/dbraw/zinc/37/06/21/607370621.db2.gz JZKBGWZIEFJUID-UHFFFAOYSA-N -1 3 350.382 2.758 20 30 FFEDHM C#CCOc1ccccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819709511 599383470 /nfs/dbraw/zinc/38/34/70/599383470.db2.gz HPDXEAMZMILWPJ-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM C#CCOc1ccccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819709511 599383472 /nfs/dbraw/zinc/38/34/72/599383472.db2.gz HPDXEAMZMILWPJ-UHFFFAOYSA-N -1 3 374.360 2.508 20 30 FFEDHM C[C@H](CC#N)NN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820219864 607374114 /nfs/dbraw/zinc/37/41/14/607374114.db2.gz KOTGXERDTIEZQS-CQSZACIVSA-N -1 3 361.409 2.671 20 30 FFEDHM C[C@H](CC#N)NN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820219864 607374116 /nfs/dbraw/zinc/37/41/16/607374116.db2.gz KOTGXERDTIEZQS-CQSZACIVSA-N -1 3 361.409 2.671 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)ccc1-c1nnn[n-]1 ZINC000822823708 599631441 /nfs/dbraw/zinc/63/14/41/599631441.db2.gz XUXJITSHYBVTSE-RXVVDRJESA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)ccc1-c1nn[n-]n1 ZINC000822823708 599631442 /nfs/dbraw/zinc/63/14/42/599631442.db2.gz XUXJITSHYBVTSE-RXVVDRJESA-N -1 3 370.416 2.971 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000822829774 599632186 /nfs/dbraw/zinc/63/21/86/599632186.db2.gz IJIPZOTVTJJNKL-INIZCTEOSA-N -1 3 362.418 2.707 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000822829774 599632187 /nfs/dbraw/zinc/63/21/87/599632187.db2.gz IJIPZOTVTJJNKL-INIZCTEOSA-N -1 3 362.418 2.707 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819740160 599632436 /nfs/dbraw/zinc/63/24/36/599632436.db2.gz RQKCMPUTUOJVDT-VIFPVBQESA-N -1 3 355.320 2.805 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819740160 599632437 /nfs/dbraw/zinc/63/24/37/599632437.db2.gz RQKCMPUTUOJVDT-VIFPVBQESA-N -1 3 355.320 2.805 20 30 FFEDHM CC(C)CN(CCC(=O)[O-])CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736433143 600090890 /nfs/dbraw/zinc/09/08/90/600090890.db2.gz ZVYGUNGUHIKIDQ-ZDUSSCGKSA-N -1 3 359.451 2.905 20 30 FFEDHM N#Cc1ccc([C@H](NCc2ccc(N3CCCCC3)nc2)C(=O)[O-])cc1 ZINC000739107653 600594286 /nfs/dbraw/zinc/59/42/86/600594286.db2.gz SIMWJJTVWPKBTN-IBGZPJMESA-N -1 3 350.422 2.859 20 30 FFEDHM CCCCCC(=O)NC1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000829304808 601312863 /nfs/dbraw/zinc/31/28/63/601312863.db2.gz LUEQKUVIBHTAPC-LJQANCHMSA-N -1 3 357.454 2.845 20 30 FFEDHM COc1ccc(CNc2c(C#N)cnc3c(C)cccc32)cc1-c1nnn[n-]1 ZINC000826203288 607559256 /nfs/dbraw/zinc/55/92/56/607559256.db2.gz HVKWEECZJMPQOW-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM COc1ccc(CNc2c(C#N)cnc3c(C)cccc32)cc1-c1nn[n-]n1 ZINC000826203288 607559257 /nfs/dbraw/zinc/55/92/57/607559257.db2.gz HVKWEECZJMPQOW-UHFFFAOYSA-N -1 3 371.404 2.638 20 30 FFEDHM CN(C[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1)C(=O)[O-] ZINC000828218265 603579791 /nfs/dbraw/zinc/57/97/91/603579791.db2.gz IGYDSRHMSBZMLK-STQMWFEESA-N -1 3 372.450 2.547 20 30 FFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000831066800 604220175 /nfs/dbraw/zinc/22/01/75/604220175.db2.gz YZJCGLWEWNBHPR-SWHYSGLUSA-N -1 3 363.801 2.814 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000831065849 604222738 /nfs/dbraw/zinc/22/27/38/604222738.db2.gz SJZHRDJKLUAYDJ-YCPHGPKFSA-N -1 3 365.389 2.923 20 30 FFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830604711 604500228 /nfs/dbraw/zinc/50/02/28/604500228.db2.gz TUDOHBPBVRJKEQ-UHFFFAOYSA-N -1 3 372.450 2.914 20 30 FFEDHM Brc1ccc(CNN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819689302 606205337 /nfs/dbraw/zinc/20/53/37/606205337.db2.gz YWKRRHXEHTZPCW-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM Brc1ccc(CNN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819689302 606205338 /nfs/dbraw/zinc/20/53/38/606205338.db2.gz YWKRRHXEHTZPCW-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1ccccc1 ZINC000822014858 606306022 /nfs/dbraw/zinc/30/60/22/606306022.db2.gz ADIAPUYOWHDIKH-FPLPWBNLSA-N -1 3 363.406 2.713 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)nnn1-c1ccccc1 ZINC000822014858 606306024 /nfs/dbraw/zinc/30/60/24/606306024.db2.gz ADIAPUYOWHDIKH-FPLPWBNLSA-N -1 3 363.406 2.713 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820534696 606344541 /nfs/dbraw/zinc/34/45/41/606344541.db2.gz NEGHAFZEBNGRRO-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820534696 606344543 /nfs/dbraw/zinc/34/45/43/606344543.db2.gz NEGHAFZEBNGRRO-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM Brc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)nc1 ZINC000819689332 606369949 /nfs/dbraw/zinc/36/99/49/606369949.db2.gz ZQYMLOOWONZALG-UHFFFAOYSA-N -1 3 350.205 2.532 20 30 FFEDHM O=C1NC(=NC2CCCCC2)SC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823541257 606390093 /nfs/dbraw/zinc/39/00/93/606390093.db2.gz NFQIETZENQWUAX-XYOKQWHBSA-N -1 3 360.468 2.821 20 30 FFEDHM O=C1N/C(=N/C2CCCCC2)SC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823541257 606390095 /nfs/dbraw/zinc/39/00/95/606390095.db2.gz NFQIETZENQWUAX-XYOKQWHBSA-N -1 3 360.468 2.821 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822801823 606445276 /nfs/dbraw/zinc/44/52/76/606445276.db2.gz PDUDOTYNFAMRRH-MOPGFXCFSA-N -1 3 372.432 2.708 20 30 FFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822801823 606445278 /nfs/dbraw/zinc/44/52/78/606445278.db2.gz PDUDOTYNFAMRRH-MOPGFXCFSA-N -1 3 372.432 2.708 20 30 FFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819710170 606463772 /nfs/dbraw/zinc/46/37/72/606463772.db2.gz YICKFYXGKUARTR-LLVKDONJSA-N -1 3 354.391 2.858 20 30 FFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819710170 606463774 /nfs/dbraw/zinc/46/37/74/606463774.db2.gz YICKFYXGKUARTR-LLVKDONJSA-N -1 3 354.391 2.858 20 30 FFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000821610073 606482117 /nfs/dbraw/zinc/48/21/17/606482117.db2.gz ZFQHACKXBXFWPR-UHFFFAOYSA-N -1 3 370.363 2.972 20 30 FFEDHM CN(Cc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821613605 606482181 /nfs/dbraw/zinc/48/21/81/606482181.db2.gz USMSQKHKZOGXCG-UHFFFAOYSA-N -1 3 370.363 2.972 20 30 FFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C#N)cs1 ZINC000821104397 606491923 /nfs/dbraw/zinc/49/19/23/606491923.db2.gz BMKFCMSCTPVDQI-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C#N)cs1 ZINC000821104397 606491925 /nfs/dbraw/zinc/49/19/25/606491925.db2.gz BMKFCMSCTPVDQI-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C#N)s1 ZINC000819745536 606537474 /nfs/dbraw/zinc/53/74/74/606537474.db2.gz HYBOZLVIIDYFQD-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C#N)s1 ZINC000819745536 606537477 /nfs/dbraw/zinc/53/74/77/606537477.db2.gz HYBOZLVIIDYFQD-UHFFFAOYSA-N -1 3 350.407 2.628 20 30 FFEDHM N#Cc1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000822822688 606665761 /nfs/dbraw/zinc/66/57/61/606665761.db2.gz BOCFTHUBUKQYAX-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000822822688 606665762 /nfs/dbraw/zinc/66/57/62/606665762.db2.gz BOCFTHUBUKQYAX-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1ccc(-c2nnc(CNc3ccc(F)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000822823625 606703496 /nfs/dbraw/zinc/70/34/96/606703496.db2.gz VAFCNXFZBKHLRY-UHFFFAOYSA-N -1 3 362.328 2.540 20 30 FFEDHM N#Cc1ccc(-c2nnc(CNc3ccc(F)c(-c4nn[n-]n4)c3)o2)cc1 ZINC000822823625 606703497 /nfs/dbraw/zinc/70/34/97/606703497.db2.gz VAFCNXFZBKHLRY-UHFFFAOYSA-N -1 3 362.328 2.540 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1cc(C#N)ccc1Cl ZINC000822154802 606710598 /nfs/dbraw/zinc/71/05/98/606710598.db2.gz ZRMOOFZESZZETO-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1cc(C#N)ccc1Cl ZINC000822154802 606710600 /nfs/dbraw/zinc/71/06/00/606710600.db2.gz ZRMOOFZESZZETO-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM C=C(C)COCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000819722978 606799019 /nfs/dbraw/zinc/79/90/19/606799019.db2.gz SUKIPGIZIWTIBQ-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM C=C(C)COCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000819722978 606799021 /nfs/dbraw/zinc/79/90/21/606799021.db2.gz SUKIPGIZIWTIBQ-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM CN(C(=O)c1ccccc1OCC#N)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574838 606961254 /nfs/dbraw/zinc/96/12/54/606961254.db2.gz ZWWSUPFVAKIGSK-UHFFFAOYSA-N -1 3 368.784 2.699 20 30 FFEDHM CN(C(=O)c1ccccc1OCC#N)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574838 606961256 /nfs/dbraw/zinc/96/12/56/606961256.db2.gz ZWWSUPFVAKIGSK-UHFFFAOYSA-N -1 3 368.784 2.699 20 30 FFEDHM C=CCC(CC=C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819734446 607004313 /nfs/dbraw/zinc/00/43/13/607004313.db2.gz NZHIKTBQHQBPBZ-GFCCVEGCSA-N -1 3 355.398 2.505 20 30 FFEDHM C=CCC(CC=C)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819734446 607004315 /nfs/dbraw/zinc/00/43/15/607004315.db2.gz NZHIKTBQHQBPBZ-GFCCVEGCSA-N -1 3 355.398 2.505 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1cccc(C#N)c1 ZINC000821702210 607015129 /nfs/dbraw/zinc/01/51/29/607015129.db2.gz LMWZGZPDBYKWCI-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1cccc(C#N)c1 ZINC000821702210 607015130 /nfs/dbraw/zinc/01/51/30/607015130.db2.gz LMWZGZPDBYKWCI-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)(C)C#N ZINC000824712947 607806182 /nfs/dbraw/zinc/80/61/82/607806182.db2.gz FOGGFCNEOJJAOO-ZDUSSCGKSA-N -1 3 357.414 2.897 20 30 FFEDHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)(C)C#N ZINC000824712947 607806183 /nfs/dbraw/zinc/80/61/83/607806183.db2.gz FOGGFCNEOJJAOO-ZDUSSCGKSA-N -1 3 357.414 2.897 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)OCC ZINC000823873132 607880952 /nfs/dbraw/zinc/88/09/52/607880952.db2.gz JFIZDXDPQSPNLU-QGZVFWFLSA-N -1 3 355.442 2.729 20 30 FFEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)OCC ZINC000823873132 607880953 /nfs/dbraw/zinc/88/09/53/607880953.db2.gz JFIZDXDPQSPNLU-QGZVFWFLSA-N -1 3 355.442 2.729 20 30 FFEDHM C=C(C)[C@H](CC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823873206 607881661 /nfs/dbraw/zinc/88/16/61/607881661.db2.gz KAMSAYWGCRTNJW-KRWDZBQOSA-N -1 3 357.458 2.977 20 30 FFEDHM C=C(C)[C@H](CC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873206 607881662 /nfs/dbraw/zinc/88/16/62/607881662.db2.gz KAMSAYWGCRTNJW-KRWDZBQOSA-N -1 3 357.458 2.977 20 30 FFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1c(C2CC2)nc2sccn12 ZINC000823868000 607885732 /nfs/dbraw/zinc/88/57/32/607885732.db2.gz MMAULKBOJDRAAO-UHFFFAOYSA-N -1 3 350.411 2.899 20 30 FFEDHM CCn1ccnc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825804732 607888440 /nfs/dbraw/zinc/88/84/40/607888440.db2.gz FNIAULZQMOMQFH-UHFFFAOYSA-N -1 3 350.308 2.548 20 30 FFEDHM CCn1ccnc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825804732 607888441 /nfs/dbraw/zinc/88/84/41/607888441.db2.gz FNIAULZQMOMQFH-UHFFFAOYSA-N -1 3 350.308 2.548 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)OCC ZINC000823874047 607893815 /nfs/dbraw/zinc/89/38/15/607893815.db2.gz RPEIFOXUEJHTPI-ZDUSSCGKSA-N -1 3 367.356 2.778 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)OCC ZINC000823874047 607893816 /nfs/dbraw/zinc/89/38/16/607893816.db2.gz RPEIFOXUEJHTPI-ZDUSSCGKSA-N -1 3 367.356 2.778 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000824293171 607979403 /nfs/dbraw/zinc/97/94/03/607979403.db2.gz HDRLMFIGNLZRRC-UHFFFAOYSA-N -1 3 360.421 2.984 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000824293171 607979404 /nfs/dbraw/zinc/97/94/04/607979404.db2.gz HDRLMFIGNLZRRC-UHFFFAOYSA-N -1 3 360.421 2.984 20 30 FFEDHM N#CCOc1cccc(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826382001 608025303 /nfs/dbraw/zinc/02/53/03/608025303.db2.gz KERGRDCXWSXRRB-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM N#CCOc1cccc(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826382001 608025304 /nfs/dbraw/zinc/02/53/04/608025304.db2.gz KERGRDCXWSXRRB-UHFFFAOYSA-N -1 3 368.784 2.604 20 30 FFEDHM N#Cc1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826385390 608052484 /nfs/dbraw/zinc/05/24/84/608052484.db2.gz JVHZTMFPGWEVOC-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826385390 608052485 /nfs/dbraw/zinc/05/24/85/608052485.db2.gz JVHZTMFPGWEVOC-QGZVFWFLSA-N -1 3 366.812 2.970 20 30 FFEDHM COCc1cnc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000826165217 608213421 /nfs/dbraw/zinc/21/34/21/608213421.db2.gz KSARIHVTXPJZCM-XFFZJAGNSA-N -1 3 353.407 2.682 20 30 FFEDHM COCc1cnc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000826165217 608213423 /nfs/dbraw/zinc/21/34/23/608213423.db2.gz KSARIHVTXPJZCM-XFFZJAGNSA-N -1 3 353.407 2.682 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(F)c(OC)c2)cc1-c1nnn[n-]1 ZINC000826177208 608230890 /nfs/dbraw/zinc/23/08/90/608230890.db2.gz XARKSQKVMMWAPB-CLTKARDFSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(F)c(OC)c2)cc1-c1nn[n-]n1 ZINC000826177208 608230892 /nfs/dbraw/zinc/23/08/92/608230892.db2.gz XARKSQKVMMWAPB-CLTKARDFSA-N -1 3 354.341 2.919 20 30 FFEDHM N#Cc1nccnc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826388042 608296219 /nfs/dbraw/zinc/29/62/19/608296219.db2.gz GMYVAVBPJDKSQD-UHFFFAOYSA-N -1 3 354.377 2.807 20 30 FFEDHM N#Cc1nccnc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826388042 608296221 /nfs/dbraw/zinc/29/62/21/608296221.db2.gz GMYVAVBPJDKSQD-UHFFFAOYSA-N -1 3 354.377 2.807 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccc3[nH]ccc3c2)ccc1-c1nnn[n-]1 ZINC000826384333 608308716 /nfs/dbraw/zinc/30/87/16/608308716.db2.gz RAHLFJVLQGEYQG-QHHAFSJGSA-N -1 3 355.361 2.872 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2ccc3[nH]ccc3c2)ccc1-c1nn[n-]n1 ZINC000826384333 608308719 /nfs/dbraw/zinc/30/87/19/608308719.db2.gz RAHLFJVLQGEYQG-QHHAFSJGSA-N -1 3 355.361 2.872 20 30 FFEDHM C#CCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823845381 608355210 /nfs/dbraw/zinc/35/52/10/608355210.db2.gz QCBXWDSYZRDPHW-UHFFFAOYSA-N -1 3 360.421 2.698 20 30 FFEDHM C#CCN(CC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823845381 608355211 /nfs/dbraw/zinc/35/52/11/608355211.db2.gz QCBXWDSYZRDPHW-UHFFFAOYSA-N -1 3 360.421 2.698 20 30 FFEDHM CC(C)(C)OC(=O)C1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824093242 608533596 /nfs/dbraw/zinc/53/35/96/608533596.db2.gz DXTBUEXPLJMWJZ-UHFFFAOYSA-N -1 3 370.457 2.844 20 30 FFEDHM CC(C)(C)OC(=O)C1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824093242 608533597 /nfs/dbraw/zinc/53/35/97/608533597.db2.gz DXTBUEXPLJMWJZ-UHFFFAOYSA-N -1 3 370.457 2.844 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2OC(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826384407 608546779 /nfs/dbraw/zinc/54/67/79/608546779.db2.gz UIMVFDWNMSONGA-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccccc2OC(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826384407 608546781 /nfs/dbraw/zinc/54/67/81/608546781.db2.gz UIMVFDWNMSONGA-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c(F)c1 ZINC000826385601 609166954 /nfs/dbraw/zinc/16/69/54/609166954.db2.gz SSUKVWSGUWZLOC-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM N#Cc1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c(F)c1 ZINC000826385601 609166955 /nfs/dbraw/zinc/16/69/55/609166955.db2.gz SSUKVWSGUWZLOC-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM Cn1cc(C=CC(=O)c2cccc(O)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359842 609308419 /nfs/dbraw/zinc/30/84/19/609308419.db2.gz RLGJFBYZQPBISG-MDZDMXLPSA-N -1 3 372.388 2.869 20 30 FFEDHM Cn1cc(C=CC(=O)c2cccc(O)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359842 609308420 /nfs/dbraw/zinc/30/84/20/609308420.db2.gz RLGJFBYZQPBISG-MDZDMXLPSA-N -1 3 372.388 2.869 20 30 FFEDHM C=C(C)CN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823872911 609345649 /nfs/dbraw/zinc/34/56/49/609345649.db2.gz FPNZRBIFXMYDBJ-UHFFFAOYSA-N -1 3 350.382 2.702 20 30 FFEDHM C=C(C)CN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823872911 609345651 /nfs/dbraw/zinc/34/56/51/609345651.db2.gz FPNZRBIFXMYDBJ-UHFFFAOYSA-N -1 3 350.382 2.702 20 30 FFEDHM Cn1nc(C(F)(F)F)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826366154 609374154 /nfs/dbraw/zinc/37/41/54/609374154.db2.gz VKBHQXGKVCUYSI-UHFFFAOYSA-N -1 3 370.726 2.718 20 30 FFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000823975128 609405561 /nfs/dbraw/zinc/40/55/61/609405561.db2.gz UXMOSYOLRLGIPQ-MLPAPPSSSA-N -1 3 365.418 2.557 20 30 FFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000823975128 609405564 /nfs/dbraw/zinc/40/55/64/609405564.db2.gz UXMOSYOLRLGIPQ-MLPAPPSSSA-N -1 3 365.418 2.557 20 30 FFEDHM COc1ccc(C=NNc2ccc(C#N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826190982 609473851 /nfs/dbraw/zinc/47/38/51/609473851.db2.gz SPXXSPXAORFBIU-UHFFFAOYSA-N -1 3 353.773 2.846 20 30 FFEDHM COc1ccc(C=NNc2ccc(C#N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826190982 609473853 /nfs/dbraw/zinc/47/38/53/609473853.db2.gz SPXXSPXAORFBIU-UHFFFAOYSA-N -1 3 353.773 2.846 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1O[C@@H](C)C#N ZINC000826170951 609512912 /nfs/dbraw/zinc/51/29/12/609512912.db2.gz WORLWWBFHDHLCL-LBPRGKRZSA-N -1 3 350.382 2.778 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1O[C@@H](C)C#N ZINC000826170951 609512914 /nfs/dbraw/zinc/51/29/14/609512914.db2.gz WORLWWBFHDHLCL-LBPRGKRZSA-N -1 3 350.382 2.778 20 30 FFEDHM C=CCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823926061 609641731 /nfs/dbraw/zinc/64/17/31/609641731.db2.gz XNCGZLQERZUQDH-UHFFFAOYSA-N -1 3 365.393 2.591 20 30 FFEDHM C=CCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823926061 609641732 /nfs/dbraw/zinc/64/17/32/609641732.db2.gz XNCGZLQERZUQDH-UHFFFAOYSA-N -1 3 365.393 2.591 20 30 FFEDHM CC(C)CO[C@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)C1(C)C ZINC000743448419 735298151 /nfs/dbraw/zinc/29/81/51/735298151.db2.gz OEGOZBGCQZFVBE-KRWDZBQOSA-N -1 3 352.500 2.976 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1csc(-c2ccccn2)n1 ZINC000743448482 735298193 /nfs/dbraw/zinc/29/81/93/735298193.db2.gz QYZTYHQIGSIQGI-UHFFFAOYSA-N -1 3 372.475 2.701 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000084168639 728417927 /nfs/dbraw/zinc/41/79/27/728417927.db2.gz JRBSIPODAQSLBK-UHFFFAOYSA-N -1 3 362.426 2.562 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1F ZINC000103367426 728496447 /nfs/dbraw/zinc/49/64/47/728496447.db2.gz NZGMKBQDALQUFU-STQMWFEESA-N -1 3 354.447 2.693 20 30 FFEDHM N#CC[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(F)(F)F ZINC000901773153 735837198 /nfs/dbraw/zinc/83/71/98/735837198.db2.gz XFLKJJBMAGVMDJ-SECBINFHSA-N -1 3 362.251 2.550 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)C[C@@H](C)CC)ccc1F ZINC000177989439 729151458 /nfs/dbraw/zinc/15/14/58/729151458.db2.gz BYBMFJCBARMNFZ-ZDUSSCGKSA-N -1 3 356.463 2.798 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@@H]2CC)ccc1F ZINC000187429298 729375991 /nfs/dbraw/zinc/37/59/91/729375991.db2.gz YUPJJEDIENESGC-WFASDCNBSA-N -1 3 354.447 2.551 20 30 FFEDHM N#CC(=C([O-])c1cncc(Br)c1)c1nnc2n1CCCCC2 ZINC000194927709 729525239 /nfs/dbraw/zinc/52/52/39/729525239.db2.gz GEKJJXAYHZKULS-GFCCVEGCSA-N -1 3 360.215 2.652 20 30 FFEDHM C#CCSCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000306070580 729738562 /nfs/dbraw/zinc/73/85/62/729738562.db2.gz ZRCCVGALCJNMFK-UHFFFAOYSA-N -1 3 368.705 2.747 20 30 FFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000859425826 730454395 /nfs/dbraw/zinc/45/43/95/730454395.db2.gz LSBBCELPWHTPAZ-CQSZACIVSA-N -1 3 350.465 2.517 20 30 FFEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(F)cc(C#N)c2)C2CC2)n1 ZINC000866874908 731112244 /nfs/dbraw/zinc/11/22/44/731112244.db2.gz QLYKCYNYGCKTJV-AWEZNQCLSA-N -1 3 351.428 2.892 20 30 FFEDHM C=C[C@H](C)NC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868393210 731288423 /nfs/dbraw/zinc/28/84/23/731288423.db2.gz KYCKKSVNAHBGNA-NWDGAFQWSA-N -1 3 355.360 2.943 20 30 FFEDHM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000870135720 731473405 /nfs/dbraw/zinc/47/34/05/731473405.db2.gz DJXSYZKCDXYYSI-OCCSQVGLSA-N -1 3 355.419 2.917 20 30 FFEDHM CSc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1Br ZINC000880162159 732858354 /nfs/dbraw/zinc/85/83/54/732858354.db2.gz SPBWRFTVQUTZLL-SNVBAGLBSA-N -1 3 374.260 2.673 20 30 FFEDHM C=CCC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000883215421 733351655 /nfs/dbraw/zinc/35/16/55/733351655.db2.gz YKFOSYKLYSXGFU-RHSMWYFYSA-N -1 3 354.472 2.992 20 30 FFEDHM COC(=O)[C@H](C[C@@H]1CCCO1)/N=C\c1cc(Br)ccc1[O-] ZINC000887272956 733903217 /nfs/dbraw/zinc/90/32/17/733903217.db2.gz ZCEDLOUFZCWNDB-KDQYPKSJSA-N -1 3 356.216 2.684 20 30 FFEDHM C#C[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000890649275 734327700 /nfs/dbraw/zinc/32/77/00/734327700.db2.gz BUESATXFPANMOF-LBPRGKRZSA-N -1 3 359.223 2.919 20 30 FFEDHM Cc1ncc(CO)c(C=NNc2ccc(Br)cc2F)c1[O-] ZINC000728432301 734527781 /nfs/dbraw/zinc/52/77/81/734527781.db2.gz NAHAZERMJSIQLP-UHFFFAOYSA-N -1 3 354.179 2.936 20 30 FFEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000733898598 734857085 /nfs/dbraw/zinc/85/70/85/734857085.db2.gz MXJFUPIEMGYZDY-UHFFFAOYSA-N -1 3 366.664 2.801 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)C(C)(C)C)ccc1F ZINC000734335087 734890488 /nfs/dbraw/zinc/89/04/88/734890488.db2.gz DMYPHANPXXIBOQ-LBPRGKRZSA-N -1 3 356.463 2.702 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2cc(C[S@@](C)=O)ccc2Cl)c1[O-] ZINC000735228857 734934647 /nfs/dbraw/zinc/93/46/47/734934647.db2.gz JICLSTOIIULVHH-HSZRJFAPSA-N -1 3 352.843 2.870 20 30 FFEDHM Nc1ncc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000900096412 735600768 /nfs/dbraw/zinc/60/07/68/735600768.db2.gz CMGIMLVLNMALSG-UHFFFAOYSA-N -1 3 357.153 2.910 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCc2c1cc(F)cc2F ZINC000752731142 736007965 /nfs/dbraw/zinc/00/79/65/736007965.db2.gz KMEWXUDLXVCXTK-UHFFFAOYSA-N -1 3 350.390 2.777 20 30 FFEDHM CSC[C@@H](C)C(=O)N1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904174192 736230278 /nfs/dbraw/zinc/23/02/78/736230278.db2.gz WGAVMRYESPCLPP-CYBMUJFWSA-N -1 3 368.474 2.781 20 30 FFEDHM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192507 736232327 /nfs/dbraw/zinc/23/23/27/736232327.db2.gz OHECMNONPMTPGJ-AWEZNQCLSA-N -1 3 372.849 2.988 20 30 FFEDHM Cc1[nH]cnc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000755683740 736270892 /nfs/dbraw/zinc/27/08/92/736270892.db2.gz UACYLLMIYHSLRM-UHFFFAOYSA-N -1 3 355.423 2.965 20 30 FFEDHM CC[C@H](C)COC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000756332368 736323352 /nfs/dbraw/zinc/32/33/52/736323352.db2.gz OIMVAAPPJGDKIM-ZFWWWQNUSA-N -1 3 366.483 2.729 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC23CCC(CC2)C3)ccc1F ZINC000757270446 736399832 /nfs/dbraw/zinc/39/98/32/736399832.db2.gz VOMQEGSKIDALDN-UHFFFAOYSA-N -1 3 366.458 2.600 20 30 FFEDHM Cc1cc(C#N)ccc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000759465657 736571012 /nfs/dbraw/zinc/57/10/12/736571012.db2.gz RDDOKAOKEOMAMA-UHFFFAOYSA-N -1 3 362.382 2.734 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847691 736842928 /nfs/dbraw/zinc/84/29/28/736842928.db2.gz RZWUONUJFGHNAP-HOTGVXAUSA-N -1 3 365.861 2.546 20 30 FFEDHM C#CCCN(CC(F)(F)F)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000767165962 737297975 /nfs/dbraw/zinc/29/79/75/737297975.db2.gz IUCQOCKCMGPWPN-UHFFFAOYSA-N -1 3 353.344 2.623 20 30 FFEDHM N#Cc1cccc(OCC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000768290961 737411598 /nfs/dbraw/zinc/41/15/98/737411598.db2.gz BAGNVWQGCIMENJ-UHFFFAOYSA-N -1 3 361.195 2.722 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2CC)ccc1F ZINC000915176721 737611916 /nfs/dbraw/zinc/61/19/16/737611916.db2.gz UEVDFEBYEXBOFL-CJNGLKHVSA-N -1 3 368.474 2.989 20 30 FFEDHM CCOc1cc(C=NN2C(=S)N=NC2C)cc(Br)c1[O-] ZINC000916305563 737694728 /nfs/dbraw/zinc/69/47/28/737694728.db2.gz WMZACRZRIXRGCC-UHFFFAOYSA-N -1 3 357.233 2.624 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cn1 ZINC000916937610 737733109 /nfs/dbraw/zinc/73/31/09/737733109.db2.gz HYBANXNRZIRKLS-LBPRGKRZSA-N -1 3 359.769 2.713 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc(Br)o1 ZINC000917509379 737761709 /nfs/dbraw/zinc/76/17/09/737761709.db2.gz QZZDZQDJICMBHO-MALLOTDXSA-N -1 3 360.167 2.798 20 30 FFEDHM C#CCOc1ccc(Br)cc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000917556226 737764542 /nfs/dbraw/zinc/76/45/42/737764542.db2.gz XGTKVUXUWFAYET-UHFFFAOYSA-N -1 3 371.198 2.573 20 30 FFEDHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1ccccc1 ZINC000920554444 737914121 /nfs/dbraw/zinc/91/41/21/737914121.db2.gz LNSDNPJVAAUWII-SFHVURJKSA-N -1 3 356.447 2.997 20 30 FFEDHM C#CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCC1 ZINC000922217951 738107085 /nfs/dbraw/zinc/10/70/85/738107085.db2.gz XKEQVOWVORBZMW-UHFFFAOYSA-N -1 3 359.223 2.966 20 30 FFEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)sn1 ZINC000785450393 738965058 /nfs/dbraw/zinc/96/50/58/738965058.db2.gz ZWSXRNLWPLGSCP-ZDUSSCGKSA-N -1 3 359.436 2.726 20 30 FFEDHM COc1ccc(C=NNCCc2ccccn2)c(Br)c1[O-] ZINC000789113138 739316814 /nfs/dbraw/zinc/31/68/14/739316814.db2.gz QGQKHWGACBKVJD-UHFFFAOYSA-N -1 3 350.216 2.725 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(CC(F)F)n1 ZINC000789403471 739349084 /nfs/dbraw/zinc/34/90/84/739349084.db2.gz LDXOGRPGJOLASE-VIFPVBQESA-N -1 3 352.728 2.763 20 30 FFEDHM CC(=NNc1ccccc1S(=O)(=O)N(C)C)c1ccc([O-])c(F)c1 ZINC000793182364 739748741 /nfs/dbraw/zinc/74/87/41/739748741.db2.gz FSRJPMKIAQMYPM-UHFFFAOYSA-N -1 3 351.403 2.618 20 30 FFEDHM CC(N=Nc1ccccc1S(=O)(=O)N(C)C)c1ccc([O-])c(F)c1 ZINC000793182364 739748746 /nfs/dbraw/zinc/74/87/46/739748746.db2.gz FSRJPMKIAQMYPM-UHFFFAOYSA-N -1 3 351.403 2.618 20 30 FFEDHM N#CC1(C(=O)NCc2ccc([O-])c(Br)c2)CCSCC1 ZINC000934946669 739869789 /nfs/dbraw/zinc/86/97/89/739869789.db2.gz YQJRYBWPKNCOBT-UHFFFAOYSA-N -1 3 355.257 2.808 20 30 FFEDHM O=S(=O)(NC1CC1)c1ccc(NN=Cc2c(F)ccc([O-])c2F)cc1 ZINC000794501455 739898905 /nfs/dbraw/zinc/89/89/05/739898905.db2.gz HLSWIGIJEIPLBX-UHFFFAOYSA-N -1 3 367.377 2.557 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)c1 ZINC000794584970 739907047 /nfs/dbraw/zinc/90/70/47/739907047.db2.gz NDLCUEWBOYLEFE-UHFFFAOYSA-N -1 3 373.825 2.788 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794934526 739944618 /nfs/dbraw/zinc/94/46/18/739944618.db2.gz SZJFOKSUXPEBDP-CLFYSBASSA-N -1 3 367.373 2.817 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1 ZINC000795565891 740038508 /nfs/dbraw/zinc/03/85/08/740038508.db2.gz ZPZKGUVGQBWKNP-HNNXBMFYSA-N -1 3 368.430 2.753 20 30 FFEDHM CC(C)[C@H](C#N)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796675710 740170154 /nfs/dbraw/zinc/17/01/54/740170154.db2.gz QRXWASSBOOBQNU-LBPRGKRZSA-N -1 3 364.345 2.782 20 30 FFEDHM Cn1cc(-c2ccc(C=N[N-]S(=O)(=O)CCc3ccccc3)s2)cn1 ZINC000800813671 740550905 /nfs/dbraw/zinc/55/09/05/740550905.db2.gz GANKZXVJRSEEES-UHFFFAOYSA-N -1 3 374.491 2.645 20 30 FFEDHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)NC1(C#N)CCC1 ZINC000811393855 741515190 /nfs/dbraw/zinc/51/51/90/741515190.db2.gz FOPKDIDZMIVBLI-QMMMGPOBSA-N -1 3 351.815 2.991 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC1CC(C)C1 ZINC000813230165 741694046 /nfs/dbraw/zinc/69/40/46/741694046.db2.gz LOJYPCDLKUAJRV-PIMMBPRGSA-N -1 3 364.467 2.626 20 30 FFEDHM Cn1cc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)nc1Cl ZINC000814288090 741809785 /nfs/dbraw/zinc/80/97/85/741809785.db2.gz OXENBYHITMXMGN-CYBMUJFWSA-N -1 3 352.847 2.787 20 30 FFEDHM Cc1cc(Br)cc2cc(C(=O)N[C@H]3CCCN([O-])C3=O)oc21 ZINC000816756950 742059238 /nfs/dbraw/zinc/05/92/38/742059238.db2.gz IVRHKWJTHXORSP-NSHDSACASA-N -1 3 367.199 2.614 20 30 FFEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000817353277 742127569 /nfs/dbraw/zinc/12/75/69/742127569.db2.gz DJZZXHKNBIUMIK-GOSISDBHSA-N -1 3 360.435 2.588 20 30 FFEDHM Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820143159 742467738 /nfs/dbraw/zinc/46/77/38/742467738.db2.gz DQENRITYLVQOIA-LLVKDONJSA-N -1 3 367.199 2.532 20 30 FFEDHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820149961 742467993 /nfs/dbraw/zinc/46/79/93/742467993.db2.gz UWVDBQJATNVJPF-LLVKDONJSA-N -1 3 370.192 2.677 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccnc1SCC1CCCCC1 ZINC000820470808 742508747 /nfs/dbraw/zinc/50/87/47/742508747.db2.gz GOAKASSCDAMNDF-OAHLLOKOSA-N -1 3 363.483 2.864 20 30 FFEDHM N#Cc1ccnc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)c1 ZINC000824548202 743102603 /nfs/dbraw/zinc/10/26/03/743102603.db2.gz JULJTFMRTXOFFU-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)OCC ZINC000832551096 745718026 /nfs/dbraw/zinc/71/80/26/745718026.db2.gz YQMGEBQAVUNGJR-NSHDSACASA-N -1 3 367.254 2.565 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)CC#N)ccc1F ZINC000837888968 746535802 /nfs/dbraw/zinc/53/58/02/746535802.db2.gz DTDMZQODCUBWIE-UHFFFAOYSA-N -1 3 369.462 2.572 20 30 FFEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)ccc1F ZINC000839444383 746829646 /nfs/dbraw/zinc/82/96/46/746829646.db2.gz DPZHZJLXTMOCFR-GXTWGEPZSA-N -1 3 368.430 2.752 20 30 FFEDHM C#CC1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000844045297 747958060 /nfs/dbraw/zinc/95/80/60/747958060.db2.gz GHIBMXPYGSZSGB-UHFFFAOYSA-N -1 3 359.223 2.776 20 30 FFEDHM O=C(COc1c(Cl)cc(Cl)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000848131232 748850305 /nfs/dbraw/zinc/85/03/05/748850305.db2.gz AVSNLLOFBSMVFE-SNVBAGLBSA-N -1 3 367.616 2.522 20 30 FFEDHM N#Cc1cc(NC(=O)CCCOc2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737705934 945114961 /nfs/dbraw/zinc/11/49/61/945114961.db2.gz RVSJFWZKBXEUAJ-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM N#Cc1cc(NC(=O)CCCOc2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737705934 945114968 /nfs/dbraw/zinc/11/49/68/945114968.db2.gz RVSJFWZKBXEUAJ-UHFFFAOYSA-N -1 3 366.356 2.675 20 30 FFEDHM C#CCOc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001573287720 946846671 /nfs/dbraw/zinc/84/66/71/946846671.db2.gz DYNVOQSSRYHEHB-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM C#CCOc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001573287720 946846682 /nfs/dbraw/zinc/84/66/82/946846682.db2.gz DYNVOQSSRYHEHB-UHFFFAOYSA-N -1 3 352.329 2.662 20 30 FFEDHM C=C(C)C[C@H](Nc1cc(Br)ccc1-c1nnn[n-]1)C(=O)OC ZINC001573300833 947121867 /nfs/dbraw/zinc/12/18/67/947121867.db2.gz UVCLONIAWWZINO-LBPRGKRZSA-N -1 3 366.219 2.549 20 30 FFEDHM C=C(C)C[C@H](Nc1cc(Br)ccc1-c1nn[n-]n1)C(=O)OC ZINC001573300833 947121876 /nfs/dbraw/zinc/12/18/76/947121876.db2.gz UVCLONIAWWZINO-LBPRGKRZSA-N -1 3 366.219 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573305514 947155977 /nfs/dbraw/zinc/15/59/77/947155977.db2.gz RHHPLJUMSCJCIP-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573305514 947155984 /nfs/dbraw/zinc/15/59/84/947155984.db2.gz RHHPLJUMSCJCIP-AWEZNQCLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573306603 947172348 /nfs/dbraw/zinc/17/23/48/947172348.db2.gz LNVXHGADKKLNLR-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573306603 947172353 /nfs/dbraw/zinc/17/23/53/947172353.db2.gz LNVXHGADKKLNLR-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573319135 947325790 /nfs/dbraw/zinc/32/57/90/947325790.db2.gz KOWVLJXNVHYVAT-UHFFFAOYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573319135 947325800 /nfs/dbraw/zinc/32/58/00/947325800.db2.gz KOWVLJXNVHYVAT-UHFFFAOYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573327722 947398018 /nfs/dbraw/zinc/39/80/18/947398018.db2.gz JYZRVADHVJSIOP-ZBFHGGJFSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573327722 947398031 /nfs/dbraw/zinc/39/80/31/947398031.db2.gz JYZRVADHVJSIOP-ZBFHGGJFSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC001573347226 947571544 /nfs/dbraw/zinc/57/15/44/947571544.db2.gz AZPSHUBSCGDMQO-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC001573347226 947571568 /nfs/dbraw/zinc/57/15/68/947571568.db2.gz AZPSHUBSCGDMQO-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001573348710 947586205 /nfs/dbraw/zinc/58/62/05/947586205.db2.gz SLGCRRYXUIRFBU-UHFFFAOYSA-N -1 3 354.341 2.719 20 30 FFEDHM C=CCOc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001573348710 947586215 /nfs/dbraw/zinc/58/62/15/947586215.db2.gz SLGCRRYXUIRFBU-UHFFFAOYSA-N -1 3 354.341 2.719 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3sccc3-c3nnn[n-]3)cc21 ZINC001573350549 947598395 /nfs/dbraw/zinc/59/83/95/947598395.db2.gz GETXPZCJFOYYKQ-UHFFFAOYSA-N -1 3 351.395 2.716 20 30 FFEDHM C=CCn1ncc2ccc(NC(=O)c3sccc3-c3nn[n-]n3)cc21 ZINC001573350549 947598402 /nfs/dbraw/zinc/59/84/02/947598402.db2.gz GETXPZCJFOYYKQ-UHFFFAOYSA-N -1 3 351.395 2.716 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(-c2ccco2)on1 ZINC000007210168 1013106491 /nfs/dbraw/zinc/10/64/91/1013106491.db2.gz JMQPHZWTRLPTQP-UHFFFAOYSA-N -1 3 367.361 2.787 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](CCC(=O)[O-])C3)C2=O)cc1 ZINC001594621013 956282353 /nfs/dbraw/zinc/28/23/53/956282353.db2.gz CSLHBDVJZXXSJY-SJLPKXTDSA-N -1 3 355.438 2.630 20 30 FFEDHM COc1ccc(C)cc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000007673793 1013194639 /nfs/dbraw/zinc/19/46/39/1013194639.db2.gz OBUJHNXQJMNSLG-UHFFFAOYSA-N -1 3 354.406 2.856 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc(F)c(F)c1 ZINC000007673900 1013197224 /nfs/dbraw/zinc/19/72/24/1013197224.db2.gz RWZRAKBJTWMTRR-UHFFFAOYSA-N -1 3 374.343 2.500 20 30 FFEDHM CC(C)(C#N)C(=O)NC12CC(C(=O)Nc3nc4c(cccc4[O-])s3)(C1)C2 ZINC001270128441 964716375 /nfs/dbraw/zinc/71/63/75/964716375.db2.gz JNJDQFMNBQDYNH-UHFFFAOYSA-N -1 3 370.434 2.529 20 30 FFEDHM CCCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1C ZINC000121990770 967087139 /nfs/dbraw/zinc/08/71/39/967087139.db2.gz NINOSTDUZDDDQT-AWEZNQCLSA-N -1 3 354.410 2.961 20 30 FFEDHM C=C(Br)CN1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001087506943 967446141 /nfs/dbraw/zinc/44/61/41/967446141.db2.gz WANBIMJILMMGDW-UONOGXRCSA-N -1 3 353.260 2.884 20 30 FFEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cc3nnc4n3CCC4)cc2)c1O ZINC000588578206 967572988 /nfs/dbraw/zinc/57/29/88/967572988.db2.gz XKIXUOHLDNRMJW-UHFFFAOYSA-N -1 3 350.378 2.683 20 30 FFEDHM CC(=O)N(c1nc(CN[C@H]2CCCN([O-])C2=O)cs1)c1ccc(C)cc1 ZINC000895164144 968030122 /nfs/dbraw/zinc/03/01/22/968030122.db2.gz CWTFSEFSUUEVAC-INIZCTEOSA-N -1 3 374.466 2.606 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC(Nc2ccccc2)C1 ZINC000874715381 1013879458 /nfs/dbraw/zinc/87/94/58/1013879458.db2.gz WBORIRVUBYXZJM-UHFFFAOYSA-N -1 3 364.449 2.968 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2c1CCCC2 ZINC000125612767 1014085696 /nfs/dbraw/zinc/08/56/96/1014085696.db2.gz RXVDNEIZTWVQCO-CYBMUJFWSA-N -1 3 352.394 2.579 20 30 FFEDHM COc1cc(C#N)ccc1OCCCC(=O)[N-]OCc1cccc(C)n1 ZINC000898936385 976789088 /nfs/dbraw/zinc/78/90/88/976789088.db2.gz RSBOUOORPZWEBI-UHFFFAOYSA-N -1 3 355.394 2.677 20 30 FFEDHM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3c([O-])cccc3O)CC2)C1=O ZINC001271854722 979154554 /nfs/dbraw/zinc/15/45/54/979154554.db2.gz DYXRJLSMLCNDOD-HXUWFJFHSA-N -1 3 358.438 2.519 20 30 FFEDHM C=CCN1CC[C@@]2(CCCN2C(=O)c2ccc([O-])c3ccccc23)C1=O ZINC001271969671 979373450 /nfs/dbraw/zinc/37/34/50/979373450.db2.gz BHZDODCQKBGEHW-NRFANRHFSA-N -1 3 350.418 2.939 20 30 FFEDHM C=CCC[C@@H](NC(=O)NC[C@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908810252 981543215 /nfs/dbraw/zinc/54/32/15/981543215.db2.gz URSGABYPKLPIRK-ZWKOTPCHSA-N -1 3 359.470 2.542 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847900 981553449 /nfs/dbraw/zinc/55/34/49/981553449.db2.gz VTGLYOYYGYVUKM-MSOLQXFVSA-N -1 3 359.470 2.760 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 ZINC000912254903 983993220 /nfs/dbraw/zinc/99/32/20/983993220.db2.gz HBTGWPAPFXTNKX-INIZCTEOSA-N -1 3 351.406 2.623 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1nc(C)cc(C)n1 ZINC000764567578 984563835 /nfs/dbraw/zinc/56/38/35/984563835.db2.gz RJQSJVXURVUJOB-MRXNPFEDSA-N -1 3 374.404 2.549 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3OCC#N)nc21 ZINC000764945915 984878441 /nfs/dbraw/zinc/87/84/41/984878441.db2.gz NRXFTUQZPTWIJF-UHFFFAOYSA-N -1 3 350.334 2.504 20 30 FFEDHM C=C1CCC(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC001128384022 987757999 /nfs/dbraw/zinc/75/79/99/987757999.db2.gz MAXNXVOISWKUJR-UHFFFAOYSA-N -1 3 374.865 2.620 20 30 FFEDHM CCOC(=O)C[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1cccc(OC)c1 ZINC000917556856 990243231 /nfs/dbraw/zinc/24/32/31/990243231.db2.gz PJDBWBDFTHBNIA-QPHXDFOYSA-N -1 3 372.421 2.710 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920109449 990794621 /nfs/dbraw/zinc/79/46/21/990794621.db2.gz GBWGSRUKPHCKCZ-NSHDSACASA-N -1 3 351.318 2.503 20 30 FFEDHM CCn1ncc(Br)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001517045012 991282730 /nfs/dbraw/zinc/28/27/30/991282730.db2.gz ADAKCKVCMKZJRA-SSDOTTSWSA-N -1 3 356.611 2.542 20 30 FFEDHM O=C(Nc1cccc(OCc2ccccc2)c1)N[C@H]1CCCN([O-])C1=O ZINC000880370342 1015818635 /nfs/dbraw/zinc/81/86/35/1015818635.db2.gz GPZVFTHCIBCPTL-KRWDZBQOSA-N -1 3 355.394 2.767 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000811185683 995051904 /nfs/dbraw/zinc/05/19/04/995051904.db2.gz RFDFGRKGVZCKFM-UHFFFAOYSA-N -1 3 350.374 2.612 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000811187205 995052987 /nfs/dbraw/zinc/05/29/87/995052987.db2.gz MMRZAYYRDBPFOP-CSNVJCEJSA-N -1 3 368.433 2.894 20 30 FFEDHM Cc1ncc(CO)c(C=NNC(=S)Nc2ccc(OC(C)C)cc2)c1[O-] ZINC000727258041 995735635 /nfs/dbraw/zinc/73/56/35/995735635.db2.gz PZBLKZJJRKZFBP-UHFFFAOYSA-N -1 3 374.466 2.696 20 30 FFEDHM Cc1noc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2)n1 ZINC000041506612 998074794 /nfs/dbraw/zinc/07/47/94/998074794.db2.gz JARYSBHETSROOF-OAHLLOKOSA-N -1 3 362.393 2.853 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCNC(=O)c1ccsc1 ZINC000845836446 998670422 /nfs/dbraw/zinc/67/04/22/998670422.db2.gz JZZKXXKDIFZHBJ-INIZCTEOSA-N -1 3 366.442 2.878 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CN/C=C2/c3ccccc3C(=O)[N-]C2=O)c1 ZINC000733773419 999069354 /nfs/dbraw/zinc/06/93/54/999069354.db2.gz CVEJCGIQCZICJK-JPVKTXQWSA-N -1 3 361.401 2.768 20 30 FFEDHM Cc1ccc(-c2nn(Cc3ccccc3)cc2C=NN2CC(=O)[N-]C2=O)cc1 ZINC000744810407 999874435 /nfs/dbraw/zinc/87/44/35/999874435.db2.gz OSEHNBKLEBMCJT-UHFFFAOYSA-N -1 3 373.416 2.793 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000745652313 999924230 /nfs/dbraw/zinc/92/42/30/999924230.db2.gz IGBYBUWHLJRQKL-GFCCVEGCSA-N -1 3 364.398 2.540 20 30 FFEDHM Cc1[nH]c2ccccc2c1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746492095 1000145436 /nfs/dbraw/zinc/14/54/36/1000145436.db2.gz RIUSOLXZEXYPNM-UHFFFAOYSA-N -1 3 372.406 2.838 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)cc1F ZINC000768763456 1000332480 /nfs/dbraw/zinc/33/24/80/1000332480.db2.gz OEDMCJMIIHJZRV-HNNXBMFYSA-N -1 3 370.336 2.582 20 30 FFEDHM O=C1Nc2c(cc([N+](=O)[O-])cc2F)C1=N[N-]c1ncccc1C(F)(F)F ZINC000774371428 1001880755 /nfs/dbraw/zinc/88/07/55/1001880755.db2.gz RWUAPRLAPLAYAA-UHFFFAOYSA-N -1 3 369.234 2.916 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000790561881 1002412122 /nfs/dbraw/zinc/41/21/22/1002412122.db2.gz QBJSAGYOYWEVSM-UHFFFAOYSA-N -1 3 357.295 2.876 20 30 FFEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000790561881 1002412127 /nfs/dbraw/zinc/41/21/27/1002412127.db2.gz QBJSAGYOYWEVSM-UHFFFAOYSA-N -1 3 357.295 2.876 20 30 FFEDHM CC(=O)/C=C(/C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC001184811667 1002727526 /nfs/dbraw/zinc/72/75/26/1002727526.db2.gz APJZYEWIXWDXAO-ALCCZGGFSA-N -1 3 352.637 2.874 20 30 FFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3nsnc3c2)c(F)c1F ZINC001186262777 1003248434 /nfs/dbraw/zinc/24/84/34/1003248434.db2.gz FJDDGJVWFXPFAI-UHFFFAOYSA-N -1 3 352.347 2.642 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001129728451 1003750948 /nfs/dbraw/zinc/75/09/48/1003750948.db2.gz LNGHDUAYZIJHNB-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM N#Cc1ccc(CSCC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001129728451 1003750952 /nfs/dbraw/zinc/75/09/52/1003750952.db2.gz LNGHDUAYZIJHNB-UHFFFAOYSA-N -1 3 368.397 2.749 20 30 FFEDHM COc1ccccc1CO[N-]C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000804648573 1003756573 /nfs/dbraw/zinc/75/65/73/1003756573.db2.gz FXYMSTUWOVKCQB-OAHLLOKOSA-N -1 3 369.396 2.780 20 30 FFEDHM CCc1cc(C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)ccc1C#N ZINC001197275362 1004152263 /nfs/dbraw/zinc/15/22/63/1004152263.db2.gz MPGQOZOHIUFTCO-UHFFFAOYSA-N -1 3 359.389 2.916 20 30 FFEDHM CCc1cc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)ccn1 ZINC001197286812 1004163850 /nfs/dbraw/zinc/16/38/50/1004163850.db2.gz IBXVEUGFDUYFTR-UHFFFAOYSA-N -1 3 366.240 2.501 20 30 FFEDHM N#Cc1cc(NC(=O)c2ncccc2OCC2CCOCC2)ccc1[O-] ZINC001197752696 1004352818 /nfs/dbraw/zinc/35/28/18/1004352818.db2.gz KBWSETUUYJVXJO-UHFFFAOYSA-N -1 3 353.378 2.717 20 30 FFEDHM COc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1OCC#N ZINC000806563109 1004362603 /nfs/dbraw/zinc/36/26/03/1004362603.db2.gz RCUOWAGDYUHBDC-RQOWECAXSA-N -1 3 360.373 2.913 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(N2CCC(F)(F)CC2)c(F)c1 ZINC001193161321 1004394367 /nfs/dbraw/zinc/39/43/67/1004394367.db2.gz OECQVILPZIVJEB-VIFPVBQESA-N -1 3 365.352 2.854 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)C(=O)Nc1ccc2ccccc2c1 ZINC001193194649 1004398490 /nfs/dbraw/zinc/39/84/90/1004398490.db2.gz VGJDYNCSZFBJAI-DYVFJYSZSA-N -1 3 359.451 2.634 20 30 FFEDHM NC(=NC(=O)c1cc(Br)[n-]n1)c1ccc2cc(O)ccc2c1 ZINC001193305414 1004445603 /nfs/dbraw/zinc/44/56/03/1004445603.db2.gz LRWQJAUJGLITBI-UHFFFAOYSA-N -1 3 359.183 2.577 20 30 FFEDHM CCN1CCN(Cc2ccc(NC(=O)c3cccc(C#N)c3[O-])cc2)CC1 ZINC001193646313 1004538001 /nfs/dbraw/zinc/53/80/01/1004538001.db2.gz GLZZAJJLLPBXRH-UHFFFAOYSA-N -1 3 364.449 2.654 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2n[nH]c3c2CC[C@H]3C)c(C)c1[O-] ZINC001198452241 1004622401 /nfs/dbraw/zinc/62/24/01/1004622401.db2.gz ACSZKUJGTOPAAB-SECBINFHSA-N -1 3 368.393 2.774 20 30 FFEDHM O=C1Nc2c(cc([N+](=O)[O-])cc2F)C1=N[N-]c1nccnc1C1CCC1 ZINC000807993839 1004733472 /nfs/dbraw/zinc/73/34/72/1004733472.db2.gz GSNDEHXQCZEXQS-UHFFFAOYSA-N -1 3 356.317 2.560 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC001195304616 1004937468 /nfs/dbraw/zinc/93/74/68/1004937468.db2.gz XKPNBQXZZVSXFH-SNVBAGLBSA-N -1 3 368.846 2.920 20 30 FFEDHM C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776280711 1005345640 /nfs/dbraw/zinc/34/56/40/1005345640.db2.gz WNBUHYREUHWPDT-ZDUSSCGKSA-N -1 3 350.374 2.789 20 30 FFEDHM C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)C2 ZINC001095713420 1017041242 /nfs/dbraw/zinc/04/12/42/1017041242.db2.gz UBKJJARXRXTUDL-PVUWLOKVSA-N -1 3 357.841 2.616 20 30 FFEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814529786 1006331985 /nfs/dbraw/zinc/33/19/85/1006331985.db2.gz RJXDASFUTWNQOI-UHFFFAOYSA-N -1 3 374.418 2.875 20 30 FFEDHM C=CCOc1cccc([N-]S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001188587435 1006639409 /nfs/dbraw/zinc/63/94/09/1006639409.db2.gz RYIHJJZPDWHNJR-UHFFFAOYSA-N -1 3 368.455 2.612 20 30 FFEDHM N#Cc1nc[nH]c1[N-]C(=O)c1sc(Br)nc1C(F)(F)F ZINC001189656845 1007216217 /nfs/dbraw/zinc/21/62/17/1007216217.db2.gz RFWLSYBAIRUAKI-UHFFFAOYSA-N -1 3 366.122 2.771 20 30 FFEDHM C=CCCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000856030005 1007670734 /nfs/dbraw/zinc/67/07/34/1007670734.db2.gz LYGGSVOIKGNGGM-ZDUSSCGKSA-N -1 3 368.380 2.764 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c1 ZINC001190661363 1007722272 /nfs/dbraw/zinc/72/22/72/1007722272.db2.gz TYVMGQAJIAQWNW-AWEZNQCLSA-N -1 3 350.346 2.639 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cc(OC(F)(F)F)ccc1F ZINC001190680645 1007746670 /nfs/dbraw/zinc/74/66/70/1007746670.db2.gz WIRMUSFLNFPUKJ-UHFFFAOYSA-N -1 3 372.234 2.659 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000820180482 1008300962 /nfs/dbraw/zinc/30/09/62/1008300962.db2.gz ZGLUQVRWJGTKRC-SNVBAGLBSA-N -1 3 370.283 2.565 20 30 FFEDHM CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820471406 1008338709 /nfs/dbraw/zinc/33/87/09/1008338709.db2.gz VDNQSPULNRCGNK-OAGJVSPASA-N -1 3 369.421 2.533 20 30 FFEDHM C[C@H](Oc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1)c1ccccc1 ZINC000820477420 1008339334 /nfs/dbraw/zinc/33/93/34/1008339334.db2.gz YNOYAMDKJZHPAK-KSSFIOAISA-N -1 3 354.406 2.937 20 30 FFEDHM C#CC[C@@H]1CCN([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)C1 ZINC000886360269 1008649403 /nfs/dbraw/zinc/64/94/03/1008649403.db2.gz SNGLEDHUOOYVNF-QWHCGFSZSA-N -1 3 373.478 2.876 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C2(c3ccncc3)CC2)c(C)c1[O-] ZINC001177608586 1008677850 /nfs/dbraw/zinc/67/78/50/1008677850.db2.gz AQUHSYCGQNLZQZ-UHFFFAOYSA-N -1 3 365.389 2.814 20 30 FFEDHM C=CCCC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001177964835 1008797102 /nfs/dbraw/zinc/79/71/02/1008797102.db2.gz VRAFJIHXJDGUJZ-CYBMUJFWSA-N -1 3 356.325 2.701 20 30 FFEDHM O=C(CN1c2ccccc2Sc2ccccc21)N[C@@H]1CCCN([O-])C1=O ZINC000861826833 1009573956 /nfs/dbraw/zinc/57/39/56/1009573956.db2.gz AGJCVBOFGQGSNM-CYBMUJFWSA-N -1 3 369.446 2.786 20 30 FFEDHM CC(C)n1nccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000794470245 1010048014 /nfs/dbraw/zinc/04/80/14/1010048014.db2.gz GIORZQRBPOUQHF-HNNXBMFYSA-N -1 3 370.438 2.739 20 30 FFEDHM COc1ncc(C=CC([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cn1 ZINC000773952944 1010280199 /nfs/dbraw/zinc/28/01/99/1010280199.db2.gz CWFYSNBTOVJVES-LZNQSLFOSA-N -1 3 360.373 2.880 20 30 FFEDHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)C#Cc1ccc(OC)cc1 ZINC001182045285 1010358731 /nfs/dbraw/zinc/35/87/31/1010358731.db2.gz LNRSFVBVTSMWLJ-UHFFFAOYSA-N -1 3 354.362 2.728 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)c1[O-] ZINC000864347818 1010453179 /nfs/dbraw/zinc/45/31/79/1010453179.db2.gz AYGOCARZPAMKQG-CWZUWDNSSA-N -1 3 354.406 2.529 20 30 FFEDHM CO[C@@H]1CCn2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)nc2C1 ZINC000870378291 1012341581 /nfs/dbraw/zinc/34/15/81/1012341581.db2.gz FGGMVVAHVXRCMA-VXGBXAGGSA-N -1 3 364.327 2.748 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000871288275 1012827784 /nfs/dbraw/zinc/82/77/84/1012827784.db2.gz CZWWREMLLMIDDY-BEFAXECRSA-N -1 3 357.454 2.530 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC12CCOCC2 ZINC000871574507 1013006967 /nfs/dbraw/zinc/00/69/67/1013006967.db2.gz HTBUYXALSOVTPR-HNNXBMFYSA-N -1 3 357.454 2.531 20 30 FFEDHM COc1ccc(CN=Nc2nncc(N)c2Cl)c(Br)c1[O-] ZINC001116583956 1021295295 /nfs/dbraw/zinc/29/52/95/1021295295.db2.gz ZWSRDGBQHBBCJN-UHFFFAOYSA-N -1 3 372.610 2.635 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(-c2ccco2)nn1C ZINC001116814178 1021433467 /nfs/dbraw/zinc/43/34/67/1021433467.db2.gz DZAXULGTILFWNX-UHFFFAOYSA-N -1 3 365.393 2.841 20 30 FFEDHM CCOc1cnc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)cn1 ZINC000778605512 1022157322 /nfs/dbraw/zinc/15/73/22/1022157322.db2.gz QWCDBBDZBVUKFM-OAHLLOKOSA-N -1 3 366.421 2.961 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001122481424 1023295918 /nfs/dbraw/zinc/29/59/18/1023295918.db2.gz CFBQAWMJATWXMO-NEPJUHHUSA-N -1 3 360.487 2.655 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(CC(F)F)C1CCC1 ZINC001122566417 1023342432 /nfs/dbraw/zinc/34/24/32/1023342432.db2.gz GCXLMKHYQPZLGX-UHFFFAOYSA-N -1 3 350.373 2.641 20 30 FFEDHM COCc1ccsc1C([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000779195610 1023342945 /nfs/dbraw/zinc/34/29/45/1023342945.db2.gz YPHSXWOJKJQKCF-ZDUSSCGKSA-N -1 3 372.402 2.627 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)CC#Cc1cccnc1 ZINC001123061415 1023616258 /nfs/dbraw/zinc/61/62/58/1023616258.db2.gz HZHHJBXDKNNNLV-CQSZACIVSA-N -1 3 363.417 2.977 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001121606594 1023878321 /nfs/dbraw/zinc/87/83/21/1023878321.db2.gz AAMNXMZRELZOEB-NSHDSACASA-N -1 3 368.363 2.714 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3nnc4ccccc4c3[O-])n2)c1 ZINC000757936272 1023886036 /nfs/dbraw/zinc/88/60/36/1023886036.db2.gz LGQKQUQMALWMJY-UHFFFAOYSA-N -1 3 370.372 2.527 20 30 FFEDHM N#Cc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000839395168 1026665510 /nfs/dbraw/zinc/66/55/10/1026665510.db2.gz IJTBNLAIQBWKDL-MRXNPFEDSA-N -1 3 363.402 2.833 20 30 FFEDHM COC(=O)c1cc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000840193346 1027005388 /nfs/dbraw/zinc/00/53/88/1027005388.db2.gz KBNUMMYMKYAVPB-UHFFFAOYSA-N -1 3 374.418 2.800 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC[C@@H](CO)Cc2ccccc2)n1 ZINC001158917612 1027189900 /nfs/dbraw/zinc/18/99/00/1027189900.db2.gz XOFMLINVHNNYGW-BFNDQCEFSA-N -1 3 366.874 2.923 20 30 FFEDHM C[C@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)c1cccc(N(C)C)c1 ZINC001154560175 1028354132 /nfs/dbraw/zinc/35/41/32/1028354132.db2.gz GHQHPROFULIKOU-ZDUSSCGKSA-N -1 3 360.417 2.957 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)N[C@H](c3ccnc(F)c3)C3CC3)cc(=O)c2c1 ZINC001154561174 1028356633 /nfs/dbraw/zinc/35/66/33/1028356633.db2.gz WTJKSKKKCJUAKJ-IBGZPJMESA-N -1 3 362.364 2.815 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc2c[nH]nc2cc1OC ZINC001154786407 1028453150 /nfs/dbraw/zinc/45/31/50/1028453150.db2.gz HREDFPSQTWQORK-UHFFFAOYSA-N -1 3 356.363 2.544 20 30 FFEDHM CSc1nc(-c2ccccc2)nc(Nc2cnc(C)[n-]c2=O)c1C#N ZINC001162299805 1028497147 /nfs/dbraw/zinc/49/71/47/1028497147.db2.gz DIQJWCNFKBKSTO-CYBMUJFWSA-N -1 3 350.407 2.547 20 30 FFEDHM Cc1ncc(Nc2cnc(Cl)nc2Oc2ccccc2C#N)c(=O)[n-]1 ZINC001162305598 1028498780 /nfs/dbraw/zinc/49/87/80/1028498780.db2.gz JCJBJKHTPXOUNT-NSHDSACASA-N -1 3 354.757 2.604 20 30 FFEDHM C#CCN(CC#CC)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000780954295 1028891142 /nfs/dbraw/zinc/89/11/42/1028891142.db2.gz MTFMMPOWEFOURT-NRFANRHFSA-N -1 3 374.440 2.739 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnn3ccc(Br)cc23)ccc1[O-] ZINC001156950661 1029418678 /nfs/dbraw/zinc/41/86/78/1029418678.db2.gz UKPHPWQVRNFWAM-UHFFFAOYSA-N -1 3 357.167 2.926 20 30 FFEDHM Cc1cc(=O)c(C#N)c(OC2CN(Cc3ccc(Br)cc3)C2)[n-]1 ZINC001225470354 1034267029 /nfs/dbraw/zinc/26/70/29/1034267029.db2.gz VYJSQSLPQAFXBI-UHFFFAOYSA-N -1 3 374.238 2.993 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@H](CS(C)(=O)=O)c2ccccc2Cl)[n-]1 ZINC001225469744 1034268272 /nfs/dbraw/zinc/26/82/72/1034268272.db2.gz NMEFMTDREPIUBG-OAHLLOKOSA-N -1 3 366.826 2.785 20 30 FFEDHM N#Cc1cccnc1N1CCC(Oc2[n-]c(=S)ncc2C2CC2)CC1 ZINC001226119770 1034534913 /nfs/dbraw/zinc/53/49/13/1034534913.db2.gz NUZHCVDHGCLNOU-UHFFFAOYSA-N -1 3 353.451 2.957 20 30 FFEDHM CC(C)(Oc1nccc(/C=N/[O-])n1)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001226256774 1034595087 /nfs/dbraw/zinc/59/50/87/1034595087.db2.gz WGVFZVUBIDUDRQ-PPAWOMOGSA-N -1 3 367.361 2.552 20 30 FFEDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226253168 1034595128 /nfs/dbraw/zinc/59/51/28/1034595128.db2.gz FMWFVZUTJGWIFW-VKEFLLROSA-N -1 3 350.419 2.699 20 30 FFEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 ZINC001138759363 1034622201 /nfs/dbraw/zinc/62/22/01/1034622201.db2.gz MINCDCQRTSWPBS-UHFFFAOYSA-N -1 3 357.316 2.597 20 30 FFEDHM COC(=O)C1=C[C@@H](Oc2cc([O-])ccc2C#N)CN(Cc2ccccc2)C1 ZINC001228008925 1035870468 /nfs/dbraw/zinc/87/04/68/1035870468.db2.gz CNOUWYSQXMKNBI-LJQANCHMSA-N -1 3 364.401 2.626 20 30 FFEDHM C#C[C@@H](COc1cccc(Cl)c1)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229341442 1036623290 /nfs/dbraw/zinc/62/32/90/1036623290.db2.gz IXUDIOAVDQJXSJ-AWEZNQCLSA-N -1 3 370.796 2.988 20 30 FFEDHM C#C[C@@H](COc1cccc(Cl)c1)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229341442 1036623296 /nfs/dbraw/zinc/62/32/96/1036623296.db2.gz IXUDIOAVDQJXSJ-AWEZNQCLSA-N -1 3 370.796 2.988 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140987751 1036625528 /nfs/dbraw/zinc/62/55/28/1036625528.db2.gz CDCBHKIZZXUBSG-UHFFFAOYSA-N -1 3 352.381 2.891 20 30 FFEDHM C#C[C@H](Oc1nc(C(=O)c2ccc(SC)cc2)c(C)[n-]1)C(=O)OCC ZINC001230136325 1037116384 /nfs/dbraw/zinc/11/63/84/1037116384.db2.gz DTBZMTXQUUSMBT-AWEZNQCLSA-N -1 3 358.419 2.615 20 30 FFEDHM C=C[C@H]1C[C@@]1([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)OCC ZINC001257293351 1038762358 /nfs/dbraw/zinc/76/23/58/1038762358.db2.gz LYEFHQOKBMQFHK-XPTSAGLGSA-N -1 3 364.250 2.780 20 30 FFEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]/C(C)=C\C(=O)C(F)(F)F ZINC001258939941 1039603470 /nfs/dbraw/zinc/60/34/70/1039603470.db2.gz RXHRKOZNSAUDHV-ALCCZGGFSA-N -1 3 357.737 2.662 20 30 FFEDHM Cc1nccc(Br)c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412912 1039983276 /nfs/dbraw/zinc/98/32/76/1039983276.db2.gz VZRMWXYSJPLZOQ-UHFFFAOYSA-N -1 3 370.203 2.964 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cnc(-c3ccc(O)cc3)nc2)cc1 ZINC001260039131 1040370967 /nfs/dbraw/zinc/37/09/67/1040370967.db2.gz PKGKUZJYROQVNP-UHFFFAOYSA-N -1 3 366.402 2.663 20 30 FFEDHM N#Cc1ccc2cc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)[nH]c2c1 ZINC001249430990 1040761466 /nfs/dbraw/zinc/76/14/66/1040761466.db2.gz PABJEVYABHAHES-UHFFFAOYSA-N -1 3 360.417 2.703 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c(Cl)c1 ZINC001213656007 1040766861 /nfs/dbraw/zinc/76/68/61/1040766861.db2.gz RBQUAMLMTNURJS-VHSXEESVSA-N -1 3 352.765 2.883 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N(CC#N)C2CCCC2)c(Cl)c1 ZINC001262609534 1041753102 /nfs/dbraw/zinc/75/31/02/1041753102.db2.gz QGBACCXSFVGDKW-UHFFFAOYSA-N -1 3 355.847 2.620 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(OC(F)F)cn2)c1 ZINC001263292939 1042225477 /nfs/dbraw/zinc/22/54/77/1042225477.db2.gz XQNSUCQNLOKXHU-CYBMUJFWSA-N -1 3 361.304 2.653 20 30 FFEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(Br)c(C)nc1OC ZINC001263616695 1042403192 /nfs/dbraw/zinc/40/31/92/1042403192.db2.gz DUOADMOAOGUGPR-NSHDSACASA-N -1 3 363.215 2.868 20 30 FFEDHM C=CCN(CC=C)CCN1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237800819 1043366553 /nfs/dbraw/zinc/36/65/53/1043366553.db2.gz CLAFLHZKXDXUET-UHFFFAOYSA-N -1 3 367.896 2.976 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C2 ZINC001309789670 1043527753 /nfs/dbraw/zinc/52/77/53/1043527753.db2.gz LLCVNFQWEPDUAZ-LBPRGKRZSA-N -1 3 368.245 2.706 20 30 FFEDHM C=CCCCN1CC2(C1)CN(C(=O)c1c(F)c(F)c([O-])c(F)c1F)C2 ZINC001278253322 1043779220 /nfs/dbraw/zinc/77/92/20/1043779220.db2.gz HBKNSIMRTLMCCD-UHFFFAOYSA-N -1 3 358.335 2.673 20 30 FFEDHM CCOc1ccc(O)c(/C=N/Cc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001319036777 1044996614 /nfs/dbraw/zinc/99/66/14/1044996614.db2.gz FAWFMHHHFBOWBN-VXLYETTFSA-N -1 3 366.414 2.921 20 30 FFEDHM C=CCO[C@@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC001320027871 1045331540 /nfs/dbraw/zinc/33/15/40/1045331540.db2.gz XEEURTKKNQGMIR-MRXNPFEDSA-N -1 3 354.410 2.966 20 30 FFEDHM CCn1nccc1C=Nn1c(-c2ccc(O)cc2[O-])csc1=NC1CC1 ZINC001320140848 1045355273 /nfs/dbraw/zinc/35/52/73/1045355273.db2.gz WOAWEKKTZXTKEC-UHFFFAOYSA-N -1 3 369.450 2.790 20 30 FFEDHM C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(Br)cn1 ZINC001321236199 1045595680 /nfs/dbraw/zinc/59/56/80/1045595680.db2.gz RBBYVBGBDWCTTA-SECBINFHSA-N -1 3 366.240 2.644 20 30 FFEDHM C[C@H]1CCc2nc(C=N[N-]S(=O)(=O)CCc3ccccc3)sc2C1 ZINC001324474164 1046051091 /nfs/dbraw/zinc/05/10/91/1046051091.db2.gz SEEJWYRZEFXMHZ-ZDUSSCGKSA-N -1 3 363.508 2.764 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn(C(C)C)c1 ZINC001322753122 1046212672 /nfs/dbraw/zinc/21/26/72/1046212672.db2.gz UJEPNYXFJJZABK-UHFFFAOYSA-N -1 3 357.439 2.818 20 30 FFEDHM C=C(Cl)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC)C(=O)OCC ZINC001287776048 1047357909 /nfs/dbraw/zinc/35/79/09/1047357909.db2.gz IABGKDMEUSDCIP-LBPRGKRZSA-N -1 3 361.772 2.978 20 30 FFEDHM Cc1cccc(CCC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)c1 ZINC001306893616 1048277690 /nfs/dbraw/zinc/27/76/90/1048277690.db2.gz YVAKCZBRTJAJNB-UHFFFAOYSA-N -1 3 366.417 2.832 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc(C)n1 ZINC001333247312 1048782618 /nfs/dbraw/zinc/78/26/18/1048782618.db2.gz ZEROPDIEPJDKLU-UHFFFAOYSA-N -1 3 355.341 2.812 20 30 FFEDHM CC(C)(C)C#CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001292278691 1049237644 /nfs/dbraw/zinc/23/76/44/1049237644.db2.gz ZNGWEKUWSQBHQG-BTYIYWSLSA-N -1 3 354.450 2.553 20 30 FFEDHM C[C@H](CSCCNCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC001334408624 1049411067 /nfs/dbraw/zinc/41/10/67/1049411067.db2.gz VMJMXXMDMKUTOU-SNVBAGLBSA-N -1 3 357.273 2.864 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3cnccn3)n2C)c1[O-] ZINC001340144475 1050548766 /nfs/dbraw/zinc/54/87/66/1050548766.db2.gz ZBKQLHLAOJWIGK-UHFFFAOYSA-N -1 3 350.426 2.733 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001342088576 1050684374 /nfs/dbraw/zinc/68/43/74/1050684374.db2.gz PZMPLEVVQGNZMF-LSDHHAIUSA-N -1 3 373.457 2.858 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001302570138 1051138692 /nfs/dbraw/zinc/13/86/92/1051138692.db2.gz MZVMWALDKJLNKP-GOSISDBHSA-N -1 3 364.449 2.752 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(Nc3cnn(C)c3)n2CCOC)c1[O-] ZINC001341058548 1051398239 /nfs/dbraw/zinc/39/82/39/1051398239.db2.gz QPOSSBIRMYCLEA-UHFFFAOYSA-N -1 3 368.441 2.893 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001343404722 1052209477 /nfs/dbraw/zinc/20/94/77/1052209477.db2.gz KZYFEJTUZYCILO-AWEZNQCLSA-N -1 3 366.425 2.912 20 30 FFEDHM COc1ccc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)cc1O ZINC001309224900 1052578660 /nfs/dbraw/zinc/57/86/60/1052578660.db2.gz YJCNORLHCHSDOH-UHFFFAOYSA-N -1 3 374.443 2.966 20 30 FFEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc2c(c1)OCO2)c1cccc(F)n1 ZINC001347203914 1053718755 /nfs/dbraw/zinc/71/87/55/1053718755.db2.gz MXLZOOQWOSXOTL-LLVKDONJSA-N -1 3 350.309 2.830 20 30 FFEDHM Cc1sc([N-]C(=O)c2nc(S(C)(=O)=O)ccc2Cl)c(C#N)c1C ZINC001348420113 1054684310 /nfs/dbraw/zinc/68/43/10/1054684310.db2.gz WCKIABUFVHINJP-UHFFFAOYSA-N -1 3 369.855 2.941 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)C2CCCC2)c(Cl)c1 ZINC001337408431 1054729120 /nfs/dbraw/zinc/72/91/20/1054729120.db2.gz DKSWDFBGECIQKA-CQSZACIVSA-N -1 3 355.847 2.524 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)C1=CCOCC1 ZINC001337729140 1054976073 /nfs/dbraw/zinc/97/60/73/1054976073.db2.gz CIQAYDSUIGILFZ-UHFFFAOYSA-N -1 3 357.454 2.697 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001351790906 1055001919 /nfs/dbraw/zinc/00/19/19/1055001919.db2.gz XIHCQFZUGNYLBK-CYBMUJFWSA-N -1 3 355.373 2.958 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001351790530 1055002158 /nfs/dbraw/zinc/00/21/58/1055002158.db2.gz TYSJUXAHPNAMDC-RISCZKNCSA-N -1 3 373.438 2.853 20 30 FFEDHM CCOC(=O)[C@@]([N-]C(=O)CC(F)(F)C(F)F)(C1CC1)C(F)(F)F ZINC001338076790 1055211347 /nfs/dbraw/zinc/21/13/47/1055211347.db2.gz VEURPERMFQFAFY-NSHDSACASA-N -1 3 353.234 2.667 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H](C)CCSCC ZINC001356380760 1055480561 /nfs/dbraw/zinc/48/05/61/1055480561.db2.gz HDYLTPYYAHWGIA-CYBMUJFWSA-N -1 3 362.503 2.985 20 30 FFEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)[C@H](C)c1cccc(Cl)c1 ZINC001338723206 1055760677 /nfs/dbraw/zinc/76/06/77/1055760677.db2.gz NSOJQZFMNHAYAM-GFCCVEGCSA-N -1 3 372.864 2.613 20 30 FFEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)[C@H](C)c1cccc(Cl)c1 ZINC001338723206 1055760684 /nfs/dbraw/zinc/76/06/84/1055760684.db2.gz NSOJQZFMNHAYAM-GFCCVEGCSA-N -1 3 372.864 2.613 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)n1-c1ccn(C)n1 ZINC001357700534 1055987198 /nfs/dbraw/zinc/98/71/98/1055987198.db2.gz GIDSLLSZKNJYEM-HNNXBMFYSA-N -1 3 373.420 2.897 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001339108429 1056099408 /nfs/dbraw/zinc/09/94/08/1056099408.db2.gz ZUUUGJYTZGUCKY-VIFPVBQESA-N -1 3 366.219 2.549 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001339108429 1056099421 /nfs/dbraw/zinc/09/94/21/1056099421.db2.gz ZUUUGJYTZGUCKY-VIFPVBQESA-N -1 3 366.219 2.549 20 30 FFEDHM C=C[C@H](C)ONC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001300210225 1056119440 /nfs/dbraw/zinc/11/94/40/1056119440.db2.gz DJCFPAPSRLYMRP-LBPRGKRZSA-N -1 3 364.398 2.862 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001339194084 1056187844 /nfs/dbraw/zinc/18/78/44/1056187844.db2.gz BREYCDJBXRBIJG-LLVKDONJSA-N -1 3 371.470 2.632 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@]12CCCOC2 ZINC001339383224 1056398489 /nfs/dbraw/zinc/39/84/89/1056398489.db2.gz FYEIQNQLEYAYKG-HXUWFJFHSA-N -1 3 357.454 2.770 20 30 FFEDHM Cn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N1CCC[C@H](CC#N)C1 ZINC001339507625 1056529841 /nfs/dbraw/zinc/52/98/41/1056529841.db2.gz GIRFGISREZIGSD-CQSZACIVSA-N -1 3 363.425 2.503 20 30 FFEDHM CCn1c(-c2c[n-]c3c(F)cc(F)cc3c2=O)nnc1N(C)C[C@@H](C)C#N ZINC001339585025 1056611646 /nfs/dbraw/zinc/61/16/46/1056611646.db2.gz DHZNJGMMUUXEFD-JTQLQIEISA-N -1 3 372.379 2.681 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](Cc2nc(C)cs2)C1 ZINC001339658174 1056683661 /nfs/dbraw/zinc/68/36/61/1056683661.db2.gz RLBIQBUHEQKEES-GFCCVEGCSA-N -1 3 372.454 2.659 20 30 FFEDHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)N[C@H]1CCCN([O-])C1=O ZINC000848136027 1059106431 /nfs/dbraw/zinc/10/64/31/1059106431.db2.gz KSONNCABSPTDSW-OALUTQOASA-N -1 3 352.434 2.899 20 30 FFEDHM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848138186 1059113420 /nfs/dbraw/zinc/11/34/20/1059113420.db2.gz KEOUFHMCBFULIO-MAUKXSAKSA-N -1 3 368.433 2.541 20 30 FFEDHM C#C[C@H]1CCCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000848282652 1059590693 /nfs/dbraw/zinc/59/06/93/1059590693.db2.gz YBMLGXXKMOFRQH-NSHDSACASA-N -1 3 364.323 2.912 20 30 FFEDHM C=CCOc1ccc(CC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001456404476 1060115856 /nfs/dbraw/zinc/11/58/56/1060115856.db2.gz YWHKDBYAKIBZNS-JTQLQIEISA-N -1 3 354.332 2.808 20 30 FFEDHM CO[C@@H]1CCn2cc(C([O-])=C(C#N)c3nc4c(cccc4Cl)[nH]3)nc2C1 ZINC001517123616 1060354714 /nfs/dbraw/zinc/35/47/14/1060354714.db2.gz LMRLLAZDRKRQGT-MNOVXSKESA-N -1 3 369.812 2.864 20 30 FFEDHM N#Cc1c[n-]n2c1nc(CN1CC[C@H](CSc3ccccc3)C1)cc2=O ZINC001459583503 1060778899 /nfs/dbraw/zinc/77/88/99/1060778899.db2.gz DHTTTWOMNIRMBF-AWEZNQCLSA-N -1 3 365.462 2.921 20 30 FFEDHM C=CCCCCCC[N-]S(=O)(=O)c1cn(C)nc1Br ZINC001475280973 1061032472 /nfs/dbraw/zinc/03/24/72/1061032472.db2.gz MAYLMJVEKDAXFK-UHFFFAOYSA-N -1 3 350.282 2.597 20 30 FFEDHM C#Cc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001463879560 1062311267 /nfs/dbraw/zinc/31/12/67/1062311267.db2.gz YPJICCRKPHILBJ-UHFFFAOYSA-N -1 3 350.783 2.708 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001464463917 1062626772 /nfs/dbraw/zinc/62/67/72/1062626772.db2.gz BGILEQXUXBFYIR-WMLDXEAASA-N -1 3 350.422 2.533 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cn1 ZINC001523873698 1062642195 /nfs/dbraw/zinc/64/21/95/1062642195.db2.gz DUAZQLNMNRGQDE-LLVKDONJSA-N -1 3 361.304 2.653 20 30 FFEDHM CCCOc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1OCCC ZINC001465083820 1062969374 /nfs/dbraw/zinc/96/93/74/1062969374.db2.gz MAABWQHBFMUUPO-AWEZNQCLSA-N -1 3 365.430 2.766 20 30 FFEDHM C#CCCCCCC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC001525072438 1063131233 /nfs/dbraw/zinc/13/12/33/1063131233.db2.gz WXKUJVISOFKIDD-UHFFFAOYSA-N -1 3 368.437 2.848 20 30 FFEDHM C#CCCCCCC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC001525072438 1063131242 /nfs/dbraw/zinc/13/12/42/1063131242.db2.gz WXKUJVISOFKIDD-UHFFFAOYSA-N -1 3 368.437 2.848 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)NCc3nc(C(F)(F)F)n[n-]3)cc2n1 ZINC001467351756 1063717306 /nfs/dbraw/zinc/71/73/06/1063717306.db2.gz CWFYTFSLTOVIAR-UHFFFAOYSA-N -1 3 365.319 2.681 20 30 FFEDHM C[C@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001575329867 1078129687 /nfs/dbraw/zinc/12/96/87/1078129687.db2.gz FTFLSQAEFSICFL-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001575329867 1078129688 /nfs/dbraw/zinc/12/96/88/1078129688.db2.gz FTFLSQAEFSICFL-NSHDSACASA-N -1 3 357.377 2.711 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)Cc1c([O-])cccc1Br ZINC001474616430 1065562794 /nfs/dbraw/zinc/56/27/94/1065562794.db2.gz OOVNWKLFWIKSMM-UHFFFAOYSA-N -1 3 354.244 2.932 20 30 FFEDHM COc1cc(Oc2cc(C)c([N+](=O)[O-])cc2C#N)ccc1-c1nnn[n-]1 ZINC001579937804 1078721248 /nfs/dbraw/zinc/72/12/48/1078721248.db2.gz YFBAGHDQGQKJTJ-UHFFFAOYSA-N -1 3 352.310 2.756 20 30 FFEDHM COc1cc(Oc2cc(C)c([N+](=O)[O-])cc2C#N)ccc1-c1nn[n-]n1 ZINC001579937804 1078721254 /nfs/dbraw/zinc/72/12/54/1078721254.db2.gz YFBAGHDQGQKJTJ-UHFFFAOYSA-N -1 3 352.310 2.756 20 30 FFEDHM Cc1c2ccccn2c(NC(=O)c2ccc(F)c(C#N)c2)c1-c1nnn[n-]1 ZINC001580523160 1078817969 /nfs/dbraw/zinc/81/79/69/1078817969.db2.gz BTOYCIONBCANDS-UHFFFAOYSA-N -1 3 361.340 2.691 20 30 FFEDHM Cc1c2ccccn2c(NC(=O)c2ccc(F)c(C#N)c2)c1-c1nn[n-]n1 ZINC001580523160 1078817979 /nfs/dbraw/zinc/81/79/79/1078817979.db2.gz BTOYCIONBCANDS-UHFFFAOYSA-N -1 3 361.340 2.691 20 30 FFEDHM Cc1c(C#N)c(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n2ccccc12 ZINC001580526424 1078818156 /nfs/dbraw/zinc/81/81/56/1078818156.db2.gz XPEMSKCVIPCTTO-UHFFFAOYSA-N -1 3 361.340 2.691 20 30 FFEDHM Cc1c(C#N)c(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n2ccccc12 ZINC001580526424 1078818162 /nfs/dbraw/zinc/81/81/62/1078818162.db2.gz XPEMSKCVIPCTTO-UHFFFAOYSA-N -1 3 361.340 2.691 20 30 FFEDHM N#Cc1c(F)cc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1F ZINC001581861268 1079009761 /nfs/dbraw/zinc/00/97/61/1079009761.db2.gz NBCAKSVYIUYNMV-UHFFFAOYSA-N -1 3 357.280 2.537 20 30 FFEDHM N#Cc1c(F)cc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1F ZINC001581861268 1079009767 /nfs/dbraw/zinc/00/97/67/1079009767.db2.gz NBCAKSVYIUYNMV-UHFFFAOYSA-N -1 3 357.280 2.537 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC001581872441 1079010421 /nfs/dbraw/zinc/01/04/21/1079010421.db2.gz AXOIXJCCQNQBDR-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC001581872441 1079010424 /nfs/dbraw/zinc/01/04/24/1079010424.db2.gz AXOIXJCCQNQBDR-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1cccc([C@H](NCc2ccncc2-c2nnn[n-]2)C(F)(F)F)c1 ZINC001581874917 1079012497 /nfs/dbraw/zinc/01/24/97/1079012497.db2.gz NYDOMIXXPDDDIL-AWEZNQCLSA-N -1 3 359.315 2.527 20 30 FFEDHM N#Cc1cccc([C@H](NCc2ccncc2-c2nn[n-]n2)C(F)(F)F)c1 ZINC001581874917 1079012502 /nfs/dbraw/zinc/01/25/02/1079012502.db2.gz NYDOMIXXPDDDIL-AWEZNQCLSA-N -1 3 359.315 2.527 20 30 FFEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C#N)c(Cl)c2)c1 ZINC001556353443 1075732306 /nfs/dbraw/zinc/73/23/06/1075732306.db2.gz WIJZHYRRQUFTJZ-UHFFFAOYSA-N -1 3 355.781 2.972 20 30 FFEDHM CC(C)(C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1cc(F)cc(C#N)c1 ZINC001556923443 1075789218 /nfs/dbraw/zinc/78/92/18/1075789218.db2.gz VGPYECLAVXWJSO-UHFFFAOYSA-N -1 3 364.384 2.718 20 30 FFEDHM CC(C)(C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1cc(F)cc(C#N)c1 ZINC001556923443 1075789221 /nfs/dbraw/zinc/78/92/21/1075789221.db2.gz VGPYECLAVXWJSO-UHFFFAOYSA-N -1 3 364.384 2.718 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC001561858656 1076435415 /nfs/dbraw/zinc/43/54/15/1076435415.db2.gz NPNKGJFYAKQRHT-RKDXNWHRSA-N -1 3 369.162 2.550 20 30 FFEDHM CN(Cc1c(F)cccc1Cl)S(=O)(=O)[N-]c1cccc(CC#N)n1 ZINC001561966399 1076456066 /nfs/dbraw/zinc/45/60/66/1076456066.db2.gz GSNXOVRLPSIJMN-UHFFFAOYSA-N -1 3 368.821 2.729 20 30 FFEDHM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N[C@@H]1CCCN([O-])C1=O ZINC001562548133 1076503480 /nfs/dbraw/zinc/50/34/80/1076503480.db2.gz BRPOJQAXZKUZAB-QGZVFWFLSA-N -1 3 367.405 2.790 20 30 FFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)cc1F ZINC001573887453 1077835708 /nfs/dbraw/zinc/83/57/08/1077835708.db2.gz BOPJOCWCGTWHPE-UHFFFAOYSA-N -1 3 353.361 2.686 20 30 FFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cc1F ZINC001573887453 1077835713 /nfs/dbraw/zinc/83/57/13/1077835713.db2.gz BOPJOCWCGTWHPE-UHFFFAOYSA-N -1 3 353.361 2.686 20 30 FFEDHM CC(C)O[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC001574297578 1077950839 /nfs/dbraw/zinc/95/08/39/1077950839.db2.gz ZYKZXTPCVFFSIJ-QGZVFWFLSA-N -1 3 362.393 2.843 20 30 FFEDHM CC(C)O[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC001574297578 1077950840 /nfs/dbraw/zinc/95/08/40/1077950840.db2.gz ZYKZXTPCVFFSIJ-QGZVFWFLSA-N -1 3 362.393 2.843 20 30 FFEDHM Cn1c(C[N-]C(=O)C(F)(F)c2ccccc2C#N)nc2cc(F)ccc21 ZINC001586423953 1079625142 /nfs/dbraw/zinc/62/51/42/1079625142.db2.gz BGYGAARLXXMRHI-UHFFFAOYSA-N -1 3 358.323 2.992 20 30 FFEDHM C#C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588327115 1079983800 /nfs/dbraw/zinc/98/38/00/1079983800.db2.gz BXCOQIHNFZSEPF-QGZVFWFLSA-N -1 3 363.396 2.774 20 30 FFEDHM C#C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588327115 1079983805 /nfs/dbraw/zinc/98/38/05/1079983805.db2.gz BXCOQIHNFZSEPF-QGZVFWFLSA-N -1 3 363.396 2.774 20 30 FFEDHM C#CC[C@@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccccc1 ZINC001588333856 1079986728 /nfs/dbraw/zinc/98/67/28/1079986728.db2.gz GRZAONQXEBMHJM-GOSISDBHSA-N -1 3 358.405 2.657 20 30 FFEDHM C#CC[C@@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccccc1 ZINC001588333856 1079986733 /nfs/dbraw/zinc/98/67/33/1079986733.db2.gz GRZAONQXEBMHJM-GOSISDBHSA-N -1 3 358.405 2.657 20 30 FFEDHM C#C[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588332602 1079987412 /nfs/dbraw/zinc/98/74/12/1079987412.db2.gz NOPTWEUIQJZSQA-INIZCTEOSA-N -1 3 374.404 2.682 20 30 FFEDHM C#C[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588332602 1079987421 /nfs/dbraw/zinc/98/74/21/1079987421.db2.gz NOPTWEUIQJZSQA-INIZCTEOSA-N -1 3 374.404 2.682 20 30 FFEDHM C#CCCCC(=O)N[C@H]1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588338595 1079990242 /nfs/dbraw/zinc/99/02/42/1079990242.db2.gz MXFOSAUHRUQZJG-KGLIPLIRSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCCCC(=O)N[C@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588338595 1079990244 /nfs/dbraw/zinc/99/02/44/1079990244.db2.gz MXFOSAUHRUQZJG-KGLIPLIRSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCCCCC(=O)NC[C@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588341876 1079990688 /nfs/dbraw/zinc/99/06/88/1079990688.db2.gz AEESLNDCGFXGMZ-ZDUSSCGKSA-N -1 3 358.421 2.506 20 30 FFEDHM C#CCCCCC(=O)NC[C@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588341876 1079990693 /nfs/dbraw/zinc/99/06/93/1079990693.db2.gz AEESLNDCGFXGMZ-ZDUSSCGKSA-N -1 3 358.421 2.506 20 30 FFEDHM C#CCOc1cccc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001588363304 1079993492 /nfs/dbraw/zinc/99/34/92/1079993492.db2.gz XOERZBREEYZUIH-UHFFFAOYSA-N -1 3 359.389 2.549 20 30 FFEDHM C#CCOc1cccc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001588363304 1079993498 /nfs/dbraw/zinc/99/34/98/1079993498.db2.gz XOERZBREEYZUIH-UHFFFAOYSA-N -1 3 359.389 2.549 20 30 FFEDHM C#CCOc1cccc(NC(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)c1 ZINC001588363342 1079993514 /nfs/dbraw/zinc/99/35/14/1079993514.db2.gz ZWIRIBJUCWIVHG-UHFFFAOYSA-N -1 3 358.361 2.612 20 30 FFEDHM C#CCOc1cccc(NC(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)c1 ZINC001588363342 1079993518 /nfs/dbraw/zinc/99/35/18/1079993518.db2.gz ZWIRIBJUCWIVHG-UHFFFAOYSA-N -1 3 358.361 2.612 20 30 FFEDHM C#CCn1c(-c2cc(C)no2)csc1=Nc1ccccc1-c1nnn[n-]1 ZINC001588364079 1079993970 /nfs/dbraw/zinc/99/39/70/1079993970.db2.gz RMAYWZIMVCCFOS-UHFFFAOYSA-N -1 3 363.406 2.559 20 30 FFEDHM C#CCn1c(-c2cc(C)no2)csc1=Nc1ccccc1-c1nn[n-]n1 ZINC001588364079 1079993974 /nfs/dbraw/zinc/99/39/74/1079993974.db2.gz RMAYWZIMVCCFOS-UHFFFAOYSA-N -1 3 363.406 2.559 20 30 FFEDHM C#Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC001588374714 1079997604 /nfs/dbraw/zinc/99/76/04/1079997604.db2.gz KKGBHWLPWHRJIT-UHFFFAOYSA-N -1 3 358.814 2.885 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588406489 1080011633 /nfs/dbraw/zinc/01/16/33/1080011633.db2.gz UYMGOJPJLUMVBI-CJNGLKHVSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588406489 1080011640 /nfs/dbraw/zinc/01/16/40/1080011640.db2.gz UYMGOJPJLUMVBI-CJNGLKHVSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588411800 1080015108 /nfs/dbraw/zinc/01/51/08/1080015108.db2.gz KGDMLGHRDRXLID-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588411800 1080015116 /nfs/dbraw/zinc/01/51/16/1080015116.db2.gz KGDMLGHRDRXLID-LSDHHAIUSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H](CC)C1 ZINC001588411899 1080016107 /nfs/dbraw/zinc/01/61/07/1080016107.db2.gz MUWRALHYCHTDKY-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H](CC)C1 ZINC001588411899 1080016115 /nfs/dbraw/zinc/01/61/15/1080016115.db2.gz MUWRALHYCHTDKY-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C#CC[C@@H](NCc1cc(Br)cc(C)c1OC(F)F)C(=O)[O-] ZINC001588423149 1080021974 /nfs/dbraw/zinc/02/19/74/1080021974.db2.gz XWCKOPBNMFLLMR-LLVKDONJSA-N -1 3 362.170 2.925 20 30 FFEDHM C=C(C)Cn1c(N2Cc3cccc(-c4nnn[n-]4)c3C2)nnc1C(C)(C)F ZINC001588436711 1080027226 /nfs/dbraw/zinc/02/72/26/1080027226.db2.gz SDDOZWQEQYVKON-UHFFFAOYSA-N -1 3 368.420 2.759 20 30 FFEDHM C=C(C)Cn1c(N2Cc3cccc(-c4nn[n-]n4)c3C2)nnc1C(C)(C)F ZINC001588436711 1080027232 /nfs/dbraw/zinc/02/72/32/1080027232.db2.gz SDDOZWQEQYVKON-UHFFFAOYSA-N -1 3 368.420 2.759 20 30 FFEDHM C=C1CCC(C(=O)N(C)CCNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588456374 1080032320 /nfs/dbraw/zinc/03/23/20/1080032320.db2.gz MAQFWYZWHOVKFX-UHFFFAOYSA-N -1 3 358.421 2.623 20 30 FFEDHM C=C1CCC(C(=O)N(C)CCNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588456374 1080032329 /nfs/dbraw/zinc/03/23/29/1080032329.db2.gz MAQFWYZWHOVKFX-UHFFFAOYSA-N -1 3 358.421 2.623 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588474056 1080039952 /nfs/dbraw/zinc/03/99/52/1080039952.db2.gz BOWWNYMLSXMIHE-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588474056 1080039962 /nfs/dbraw/zinc/03/99/62/1080039962.db2.gz BOWWNYMLSXMIHE-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588483412 1080045605 /nfs/dbraw/zinc/04/56/05/1080045605.db2.gz JDJYEJGPTFYTOJ-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CC(C)(C)CC(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588483412 1080045612 /nfs/dbraw/zinc/04/56/12/1080045612.db2.gz JDJYEJGPTFYTOJ-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588492344 1080054014 /nfs/dbraw/zinc/05/40/14/1080054014.db2.gz RCWNIWQSHRGHFF-IFXJQAMLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588492344 1080054021 /nfs/dbraw/zinc/05/40/21/1080054021.db2.gz RCWNIWQSHRGHFF-IFXJQAMLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](C)ONC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588518797 1080069435 /nfs/dbraw/zinc/06/94/35/1080069435.db2.gz LOPLERHMEFRYKV-LLVKDONJSA-N -1 3 367.369 2.682 20 30 FFEDHM C=C[C@H](CC(=O)N1CC(=O)Nc2ccc(-c3nnn[n-]3)cc21)c1ccccc1 ZINC001588518825 1080070525 /nfs/dbraw/zinc/07/05/25/1080070525.db2.gz LWAHMEBHYGFCOV-CYBMUJFWSA-N -1 3 374.404 2.512 20 30 FFEDHM C=C[C@H](CC(=O)N1CC(=O)Nc2ccc(-c3nn[n-]n3)cc21)c1ccccc1 ZINC001588518825 1080070531 /nfs/dbraw/zinc/07/05/31/1080070531.db2.gz LWAHMEBHYGFCOV-CYBMUJFWSA-N -1 3 374.404 2.512 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588521218 1080074062 /nfs/dbraw/zinc/07/40/62/1080074062.db2.gz JUTUVAUXXPBLNM-DJJJIMSYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588521218 1080074072 /nfs/dbraw/zinc/07/40/72/1080074072.db2.gz JUTUVAUXXPBLNM-DJJJIMSYSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588521926 1080075092 /nfs/dbraw/zinc/07/50/92/1080075092.db2.gz WJPGBNAUNSEYIW-ZIAGYGMSSA-N -1 3 372.448 2.645 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588521926 1080075101 /nfs/dbraw/zinc/07/51/01/1080075101.db2.gz WJPGBNAUNSEYIW-ZIAGYGMSSA-N -1 3 372.448 2.645 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588532891 1080083813 /nfs/dbraw/zinc/08/38/13/1080083813.db2.gz ITNMFDUWBMDTAM-CQSZACIVSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588532891 1080083824 /nfs/dbraw/zinc/08/38/24/1080083824.db2.gz ITNMFDUWBMDTAM-CQSZACIVSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001588537898 1080085652 /nfs/dbraw/zinc/08/56/52/1080085652.db2.gz BVOZJAKZSURPHJ-UHFFFAOYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001588537898 1080085663 /nfs/dbraw/zinc/08/56/63/1080085663.db2.gz BVOZJAKZSURPHJ-UHFFFAOYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588549776 1080092199 /nfs/dbraw/zinc/09/21/99/1080092199.db2.gz XRMKPCMVOWHIQF-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588549776 1080092206 /nfs/dbraw/zinc/09/22/06/1080092206.db2.gz XRMKPCMVOWHIQF-CQSZACIVSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CCCNc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001588551455 1080092446 /nfs/dbraw/zinc/09/24/46/1080092446.db2.gz BVSIUZMNDFHHES-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CCCNc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001588551455 1080092451 /nfs/dbraw/zinc/09/24/51/1080092451.db2.gz BVSIUZMNDFHHES-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588559507 1080096416 /nfs/dbraw/zinc/09/64/16/1080096416.db2.gz KFUPKMICMKVTCR-LRDDRELGSA-N -1 3 358.421 2.940 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588559507 1080096425 /nfs/dbraw/zinc/09/64/25/1080096425.db2.gz KFUPKMICMKVTCR-LRDDRELGSA-N -1 3 358.421 2.940 20 30 FFEDHM C=CCCC1(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588579550 1080107463 /nfs/dbraw/zinc/10/74/63/1080107463.db2.gz OFGJARGHEYYZPV-INIZCTEOSA-N -1 3 355.442 2.543 20 30 FFEDHM C=CCCC1(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588579550 1080107465 /nfs/dbraw/zinc/10/74/65/1080107465.db2.gz OFGJARGHEYYZPV-INIZCTEOSA-N -1 3 355.442 2.543 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588588197 1080111259 /nfs/dbraw/zinc/11/12/59/1080111259.db2.gz GEEWPKFURHFDHZ-ZDUSSCGKSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588588197 1080111263 /nfs/dbraw/zinc/11/12/63/1080111263.db2.gz GEEWPKFURHFDHZ-ZDUSSCGKSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccn(C(C)C)n1 ZINC001588649655 1080139912 /nfs/dbraw/zinc/13/99/12/1080139912.db2.gz YDRXYHQYWJTHSK-UHFFFAOYSA-N -1 3 366.429 2.864 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccn(C(C)C)n1 ZINC001588649655 1080139915 /nfs/dbraw/zinc/13/99/15/1080139915.db2.gz YDRXYHQYWJTHSK-UHFFFAOYSA-N -1 3 366.429 2.864 20 30 FFEDHM C=CCOCCNc1c(Br)cc(Cl)cc1-c1nnn[n-]1 ZINC001588682480 1080152618 /nfs/dbraw/zinc/15/26/18/1080152618.db2.gz GBBPUMGSRIJMIQ-UHFFFAOYSA-N -1 3 358.627 2.897 20 30 FFEDHM C=CCOCCNc1c(Br)cc(Cl)cc1-c1nn[n-]n1 ZINC001588682480 1080152622 /nfs/dbraw/zinc/15/26/22/1080152622.db2.gz GBBPUMGSRIJMIQ-UHFFFAOYSA-N -1 3 358.627 2.897 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588688343 1080154217 /nfs/dbraw/zinc/15/42/17/1080154217.db2.gz DEUKXDPNJUMBAF-RUZDIDTESA-N -1 3 353.407 2.720 20 30 FFEDHM C=CC[S@](=O)(=NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588688343 1080154220 /nfs/dbraw/zinc/15/42/20/1080154220.db2.gz DEUKXDPNJUMBAF-RUZDIDTESA-N -1 3 353.407 2.720 20 30 FFEDHM C=CCOc1ccccc1C(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588689313 1080155566 /nfs/dbraw/zinc/15/55/66/1080155566.db2.gz DZMXXJHJILSRHD-UHFFFAOYSA-N -1 3 352.350 2.659 20 30 FFEDHM C=CCOc1ccccc1C(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588689313 1080155573 /nfs/dbraw/zinc/15/55/73/1080155573.db2.gz DZMXXJHJILSRHD-UHFFFAOYSA-N -1 3 352.350 2.659 20 30 FFEDHM C=CCn1c(C)cc(C(=O)CN2CCc3ccc(-c4nnn[n-]4)cc32)c1C ZINC001588703101 1080161858 /nfs/dbraw/zinc/16/18/58/1080161858.db2.gz JYTDETDARBGFPJ-UHFFFAOYSA-N -1 3 362.437 2.716 20 30 FFEDHM C=CCn1c(C)cc(C(=O)CN2CCc3ccc(-c4nn[n-]n4)cc32)c1C ZINC001588703101 1080161864 /nfs/dbraw/zinc/16/18/64/1080161864.db2.gz JYTDETDARBGFPJ-UHFFFAOYSA-N -1 3 362.437 2.716 20 30 FFEDHM C=CCn1c(CCCCC)nnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588703415 1080162271 /nfs/dbraw/zinc/16/22/71/1080162271.db2.gz OZQIFZPXYVTVQH-UHFFFAOYSA-N -1 3 364.457 2.897 20 30 FFEDHM C=CCn1c(CCCCC)nnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588703415 1080162275 /nfs/dbraw/zinc/16/22/75/1080162275.db2.gz OZQIFZPXYVTVQH-UHFFFAOYSA-N -1 3 364.457 2.897 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)cc2n1 ZINC001588717008 1080168577 /nfs/dbraw/zinc/16/85/77/1080168577.db2.gz OKJSPQAYQXBDOW-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)cc2n1 ZINC001588717008 1080168579 /nfs/dbraw/zinc/16/85/79/1080168579.db2.gz OKJSPQAYQXBDOW-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588718785 1080169701 /nfs/dbraw/zinc/16/97/01/1080169701.db2.gz SOTOHJJDDDWARI-SJORKVTESA-N -1 3 370.457 2.520 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588718785 1080169704 /nfs/dbraw/zinc/16/97/04/1080169704.db2.gz SOTOHJJDDDWARI-SJORKVTESA-N -1 3 370.457 2.520 20 30 FFEDHM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588780494 1080192307 /nfs/dbraw/zinc/19/23/07/1080192307.db2.gz CBCBPMDFDPRKSM-UHFFFAOYSA-N -1 3 358.749 2.659 20 30 FFEDHM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588780494 1080192309 /nfs/dbraw/zinc/19/23/09/1080192309.db2.gz CBCBPMDFDPRKSM-UHFFFAOYSA-N -1 3 358.749 2.659 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(C(=O)[O-])cc1Br ZINC001588917237 1080263627 /nfs/dbraw/zinc/26/36/27/1080263627.db2.gz RFIQLFYQQGMJIP-KGLIPLIRSA-N -1 3 370.243 2.979 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588930707 1080269642 /nfs/dbraw/zinc/26/96/42/1080269642.db2.gz HZTJSXSDPVPELT-LLVKDONJSA-N -1 3 357.418 2.667 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588930707 1080269650 /nfs/dbraw/zinc/26/96/50/1080269650.db2.gz HZTJSXSDPVPELT-LLVKDONJSA-N -1 3 357.418 2.667 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC001589015266 1080304269 /nfs/dbraw/zinc/30/42/69/1080304269.db2.gz ILEAPFPANSHOOJ-SECBINFHSA-N -1 3 354.320 2.759 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC001589015266 1080304273 /nfs/dbraw/zinc/30/42/73/1080304273.db2.gz ILEAPFPANSHOOJ-SECBINFHSA-N -1 3 354.320 2.759 20 30 FFEDHM CC(C)(C(=O)OCc1ccccc1C#N)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589062179 1080333776 /nfs/dbraw/zinc/33/37/76/1080333776.db2.gz VFCSWNWUBVQITG-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)(C(=O)OCc1ccccc1C#N)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589062179 1080333789 /nfs/dbraw/zinc/33/37/89/1080333789.db2.gz VFCSWNWUBVQITG-UHFFFAOYSA-N -1 3 365.368 2.898 20 30 FFEDHM CC(C)(CCC#N)COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589272091 1080457956 /nfs/dbraw/zinc/45/79/56/1080457956.db2.gz FQHNJJZZRMJQGE-INIZCTEOSA-N -1 3 368.441 2.709 20 30 FFEDHM C[C@@H](C(=O)[O-])N(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC001589480165 1080554751 /nfs/dbraw/zinc/55/47/51/1080554751.db2.gz YODUACHJGSVOPL-AAEUAGOBSA-N -1 3 357.435 2.800 20 30 FFEDHM CC(C)[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589507269 1080571588 /nfs/dbraw/zinc/57/15/88/1080571588.db2.gz GFPHSQGEUKLHPA-FUHWJXTLSA-N -1 3 366.469 2.834 20 30 FFEDHM CC(C)C[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001589572280 1080612312 /nfs/dbraw/zinc/61/23/12/1080612312.db2.gz NOKMLMCVSIDAOM-WMZOPIPTSA-N -1 3 366.469 2.834 20 30 FFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)ccc1F ZINC001589754960 1080707509 /nfs/dbraw/zinc/70/75/09/1080707509.db2.gz AEFFTBVEGGXKAW-UHFFFAOYSA-N -1 3 366.356 2.917 20 30 FFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)ccc1F ZINC001589754960 1080707514 /nfs/dbraw/zinc/70/75/14/1080707514.db2.gz AEFFTBVEGGXKAW-UHFFFAOYSA-N -1 3 366.356 2.917 20 30 FFEDHM C[C@H](CC#Cc1cccnc1)OC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589786337 1080740126 /nfs/dbraw/zinc/74/01/26/1080740126.db2.gz HAOGMJKMMDWVPS-OAHLLOKOSA-N -1 3 373.416 2.667 20 30 FFEDHM C[C@H](CC#Cc1cccnc1)OC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589786337 1080740130 /nfs/dbraw/zinc/74/01/30/1080740130.db2.gz HAOGMJKMMDWVPS-OAHLLOKOSA-N -1 3 373.416 2.667 20 30 FFEDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589802636 1080759079 /nfs/dbraw/zinc/75/90/79/1080759079.db2.gz HSYCQOCRNNDFKK-BDJLRTHQSA-N -1 3 352.373 2.802 20 30 FFEDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589802636 1080759085 /nfs/dbraw/zinc/75/90/85/1080759085.db2.gz HSYCQOCRNNDFKK-BDJLRTHQSA-N -1 3 352.373 2.802 20 30 FFEDHM C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)CN(C)C(=O)OC(C)(C)C ZINC001589876105 1080823802 /nfs/dbraw/zinc/82/38/02/1080823802.db2.gz OHHNQFVUTBOPNJ-LBPRGKRZSA-N -1 3 371.445 2.653 20 30 FFEDHM C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)CN(C)C(=O)OC(C)(C)C ZINC001589876105 1080823805 /nfs/dbraw/zinc/82/38/05/1080823805.db2.gz OHHNQFVUTBOPNJ-LBPRGKRZSA-N -1 3 371.445 2.653 20 30 FFEDHM C[C@@H](NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12)c1ccc(C#N)cc1 ZINC001589941848 1080885428 /nfs/dbraw/zinc/88/54/28/1080885428.db2.gz YQJIKALYRSOKLF-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12)c1ccc(C#N)cc1 ZINC001589941848 1080885432 /nfs/dbraw/zinc/88/54/32/1080885432.db2.gz YQJIKALYRSOKLF-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](Nc1ccnc(C#N)n1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001589986486 1080924020 /nfs/dbraw/zinc/92/40/20/1080924020.db2.gz JLIXYKJRMSKGOK-CYBMUJFWSA-N -1 3 368.404 2.790 20 30 FFEDHM C[C@@H](Nc1ccnc(C#N)n1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001589986486 1080924026 /nfs/dbraw/zinc/92/40/26/1080924026.db2.gz JLIXYKJRMSKGOK-CYBMUJFWSA-N -1 3 368.404 2.790 20 30 FFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC001590035851 1080961188 /nfs/dbraw/zinc/96/11/88/1080961188.db2.gz KPOZFOOALPWNGO-QLJPJBMISA-N -1 3 362.434 2.541 20 30 FFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001590037622 1080962318 /nfs/dbraw/zinc/96/23/18/1080962318.db2.gz OTMKTLDNNATRAK-SSDOTTSWSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001590037622 1080962320 /nfs/dbraw/zinc/96/23/20/1080962320.db2.gz OTMKTLDNNATRAK-SSDOTTSWSA-N -1 3 359.365 2.847 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC1(C#N)CCCC1 ZINC001590042363 1080967326 /nfs/dbraw/zinc/96/73/26/1080967326.db2.gz GTSKKOCPBOXESO-CYBMUJFWSA-N -1 3 353.430 2.653 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCC1(C#N)CCCC1 ZINC001590042363 1080967328 /nfs/dbraw/zinc/96/73/28/1080967328.db2.gz GTSKKOCPBOXESO-CYBMUJFWSA-N -1 3 353.430 2.653 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C#N)ccc1F ZINC001590043973 1080969983 /nfs/dbraw/zinc/96/99/83/1080969983.db2.gz MIYOSXHIEVBYMQ-NSHDSACASA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C#N)ccc1F ZINC001590043973 1080969989 /nfs/dbraw/zinc/96/99/89/1080969989.db2.gz MIYOSXHIEVBYMQ-NSHDSACASA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001590051526 1080980705 /nfs/dbraw/zinc/98/07/05/1080980705.db2.gz XXEOULLPZCKKJK-SNVBAGLBSA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@@H]1CC[C@H](OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC001590241764 1081116717 /nfs/dbraw/zinc/11/67/17/1081116717.db2.gz XYBZQVYTLAGOME-OQUILHJVSA-N -1 3 353.426 2.917 20 30 FFEDHM C[C@@H]1CC[C@H](OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC001590241764 1081116721 /nfs/dbraw/zinc/11/67/21/1081116721.db2.gz XYBZQVYTLAGOME-OQUILHJVSA-N -1 3 353.426 2.917 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1N1CCOCC1 ZINC000181187996 251256590 /nfs/dbraw/zinc/25/65/90/251256590.db2.gz HJXLRGBOCGNANG-UHFFFAOYSA-N -1 3 357.435 2.504 20 30 FFEDHM N#Cc1c(N2CCC(C(=O)Nc3ccccc3[O-])CC2)nc2ccccn21 ZINC000272893630 252159376 /nfs/dbraw/zinc/15/93/76/252159376.db2.gz KIJOXTWFZCKLNP-UHFFFAOYSA-N -1 3 361.405 2.767 20 30 FFEDHM C[C@H](CON=C([O-])Nc1ccc(F)c(C#N)c1)NC(=O)OC(C)(C)C ZINC000273408930 252299809 /nfs/dbraw/zinc/29/98/09/252299809.db2.gz PCOCLYCMPVJDCO-SNVBAGLBSA-N -1 3 352.366 2.664 20 30 FFEDHM C[C@H](CO[N-]C(=O)Nc1ccc(F)c(C#N)c1)NC(=O)OC(C)(C)C ZINC000273408930 252299814 /nfs/dbraw/zinc/29/98/14/252299814.db2.gz PCOCLYCMPVJDCO-SNVBAGLBSA-N -1 3 352.366 2.664 20 30 FFEDHM C[C@@H](CON=C([O-])Nc1ccc(F)cc1C#N)NC(=O)OC(C)(C)C ZINC000273441374 252306786 /nfs/dbraw/zinc/30/67/86/252306786.db2.gz MXNMKHFTVFXKOP-JTQLQIEISA-N -1 3 352.366 2.664 20 30 FFEDHM C[C@@H](CO[N-]C(=O)Nc1ccc(F)cc1C#N)NC(=O)OC(C)(C)C ZINC000273441374 252306789 /nfs/dbraw/zinc/30/67/89/252306789.db2.gz MXNMKHFTVFXKOP-JTQLQIEISA-N -1 3 352.366 2.664 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCCN2C ZINC000064846289 506234532 /nfs/dbraw/zinc/23/45/32/506234532.db2.gz YFJPIIPNVBWCEZ-UHFFFAOYSA-N -1 3 364.449 2.817 20 30 FFEDHM CC(=O)Nc1ccc([O-])c(C(=O)NCCSCc2ccccc2C#N)c1 ZINC000055130917 506683681 /nfs/dbraw/zinc/68/36/81/506683681.db2.gz WBJUGOTZYAPUAQ-UHFFFAOYSA-N -1 3 369.446 2.885 20 30 FFEDHM Cc1sc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(C#N)c1C ZINC000067153211 506774948 /nfs/dbraw/zinc/77/49/48/506774948.db2.gz GTQAVKUDOAKCFY-UHFFFAOYSA-N -1 3 368.378 2.978 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2c1cccc2F ZINC000055683663 506824148 /nfs/dbraw/zinc/82/41/48/506824148.db2.gz IFHUHLQJTUVCGV-SFHVURJKSA-N -1 3 353.397 2.739 20 30 FFEDHM Cc1ccc(CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CC2)o1 ZINC000046284144 507111244 /nfs/dbraw/zinc/11/12/44/507111244.db2.gz XBGOGQAVYIJIAS-UHFFFAOYSA-N -1 3 353.422 2.889 20 30 FFEDHM C=C(C)CN(CC)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000056911173 507122124 /nfs/dbraw/zinc/12/21/24/507122124.db2.gz DOMSGRVBZTXAHN-UHFFFAOYSA-N -1 3 372.469 2.656 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000068167105 507135324 /nfs/dbraw/zinc/13/53/24/507135324.db2.gz DTONXADNPADUOZ-KRWDZBQOSA-N -1 3 369.396 2.575 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-n1cccn1 ZINC000047973928 507427482 /nfs/dbraw/zinc/42/74/82/507427482.db2.gz MHGZLTJJGIDRNL-UHFFFAOYSA-N -1 3 361.405 2.620 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N2CCN(CCC(C)(C)C)CC2)cc1C#N ZINC000063801553 507772364 /nfs/dbraw/zinc/77/23/64/507772364.db2.gz CDMXQPUDKOJYNU-UHFFFAOYSA-N -1 3 362.499 2.575 20 30 FFEDHM Cc1nc(C)c(CCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000108821211 507920221 /nfs/dbraw/zinc/92/02/21/507920221.db2.gz NHQHTTKEBOVTDO-GOSISDBHSA-N -1 3 366.465 2.998 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000091056496 507948213 /nfs/dbraw/zinc/94/82/13/507948213.db2.gz NOTYJWNNMCTIRQ-INIZCTEOSA-N -1 3 352.362 2.502 20 30 FFEDHM Cc1cccc([C@H](CC(=O)Nc2nnc(C(F)(F)F)[n-]2)NC(N)=O)c1 ZINC000073914589 507966756 /nfs/dbraw/zinc/96/67/56/507966756.db2.gz JJLFKTTYAWBYTO-VIFPVBQESA-N -1 3 356.308 2.520 20 30 FFEDHM Cc1cccc([C@H](CC(=O)Nc2nc(C(F)(F)F)n[n-]2)NC(N)=O)c1 ZINC000073914589 507966759 /nfs/dbraw/zinc/96/67/59/507966759.db2.gz JJLFKTTYAWBYTO-VIFPVBQESA-N -1 3 356.308 2.520 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000109538393 507967725 /nfs/dbraw/zinc/96/77/25/507967725.db2.gz KVVLBBPKCGCRGC-UHFFFAOYSA-N -1 3 356.332 2.977 20 30 FFEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000076921387 508262148 /nfs/dbraw/zinc/26/21/48/508262148.db2.gz ZLPXXXGUESPPPH-GFCCVEGCSA-N -1 3 372.462 2.822 20 30 FFEDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000104745456 508344845 /nfs/dbraw/zinc/34/48/45/508344845.db2.gz RWHNVWSZBJLZNG-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCN(c2ccccc2)CC1 ZINC000156703584 508464899 /nfs/dbraw/zinc/46/48/99/508464899.db2.gz GUPWDWWAEXAYIG-UHFFFAOYSA-N -1 3 359.426 2.645 20 30 FFEDHM Cc1csc(C(C)(C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000116147070 508478158 /nfs/dbraw/zinc/47/81/58/508478158.db2.gz ZWYKKYGXFDYMGD-UHFFFAOYSA-N -1 3 358.467 2.612 20 30 FFEDHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000122457436 508538363 /nfs/dbraw/zinc/53/83/63/508538363.db2.gz YVCGJQTYSOYVJS-GFCCVEGCSA-N -1 3 351.859 2.850 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@H](C)c1ccccc1 ZINC000124422768 508829473 /nfs/dbraw/zinc/82/94/73/508829473.db2.gz FFVPABZGOHNFPD-QWHCGFSZSA-N -1 3 359.407 2.937 20 30 FFEDHM C=CCN(CC=C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000148786500 508865656 /nfs/dbraw/zinc/86/56/56/508865656.db2.gz LBCRKYPMKMXUMC-UHFFFAOYSA-N -1 3 353.444 2.663 20 30 FFEDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416533026 513819365 /nfs/dbraw/zinc/81/93/65/513819365.db2.gz YWZIFTNDHUTQBS-BETUJISGSA-N -1 3 373.272 2.555 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Br)c(F)c1 ZINC000151114292 508960464 /nfs/dbraw/zinc/96/04/64/508960464.db2.gz OIYJXBRJVJDKSI-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc3[nH]cnc3c2)C1=O ZINC000120831619 509071924 /nfs/dbraw/zinc/07/19/24/509071924.db2.gz XKUUUPNBAUEKFD-LJQANCHMSA-N -1 3 371.441 2.879 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc3[nH]cnc3c2)C1=O ZINC000120831762 509072285 /nfs/dbraw/zinc/07/22/85/509072285.db2.gz XKUUUPNBAUEKFD-IBGZPJMESA-N -1 3 371.441 2.879 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000155964940 509101705 /nfs/dbraw/zinc/10/17/05/509101705.db2.gz AGRYAYZBNPJWNK-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000120997130 509105675 /nfs/dbraw/zinc/10/56/75/509105675.db2.gz NPBURKGVVRXBPU-IBGZPJMESA-N -1 3 372.490 2.756 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCc2sccc21 ZINC000162054660 509170768 /nfs/dbraw/zinc/17/07/68/509170768.db2.gz HFBPJNRVAHQZEF-LBPRGKRZSA-N -1 3 363.420 2.884 20 30 FFEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1[N+](=O)[O-] ZINC000182409538 509223246 /nfs/dbraw/zinc/22/32/46/509223246.db2.gz KQGXQJUIOUYTSD-UHFFFAOYSA-N -1 3 354.366 2.651 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1 ZINC000179236028 509334016 /nfs/dbraw/zinc/33/40/16/509334016.db2.gz IZRQYVPBHSJNKT-AWEZNQCLSA-N -1 3 370.858 2.877 20 30 FFEDHM N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2[O-])CC1 ZINC000179558915 509512347 /nfs/dbraw/zinc/51/23/47/509512347.db2.gz KUOIKZFMOOKMDI-UHFFFAOYSA-N -1 3 350.378 2.834 20 30 FFEDHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)n1 ZINC000164663961 509524544 /nfs/dbraw/zinc/52/45/44/509524544.db2.gz RKKDETYLWLCWOQ-UHFFFAOYSA-N -1 3 353.444 2.897 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000179778359 509617952 /nfs/dbraw/zinc/61/79/52/509617952.db2.gz ZNANQFXJHPYGRE-SNVBAGLBSA-N -1 3 350.893 2.541 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000167298027 509628160 /nfs/dbraw/zinc/62/81/60/509628160.db2.gz IREXMMOUZGAGLQ-IMJJTQAJSA-N -1 3 366.870 2.838 20 30 FFEDHM Cc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)c(O[C@@H]2CCOC2)c1 ZINC000268201172 509811351 /nfs/dbraw/zinc/81/13/51/509811351.db2.gz YRPBYGFCBZZCSV-LYUVJKPTSA-N -1 3 356.422 2.683 20 30 FFEDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183503985 509831104 /nfs/dbraw/zinc/83/11/04/509831104.db2.gz OLLPADIFCFYVAV-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)COc2ccc(C#N)c(Cl)c2)cc1 ZINC000190266493 510035959 /nfs/dbraw/zinc/03/59/59/510035959.db2.gz VFRCCGYSBQHZSB-UHFFFAOYSA-N -1 3 364.810 2.845 20 30 FFEDHM CCO[C@H]1C[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCCC2 ZINC000174552482 510173225 /nfs/dbraw/zinc/17/32/25/510173225.db2.gz PBOUXAFZZHPIAV-MSOLQXFVSA-N -1 3 371.481 2.650 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccc(C)c(C)c1 ZINC000184259201 510224891 /nfs/dbraw/zinc/22/48/91/510224891.db2.gz KLIKIXFPPFYVBY-GOSISDBHSA-N -1 3 372.446 2.509 20 30 FFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177827133 510275363 /nfs/dbraw/zinc/27/53/63/510275363.db2.gz NCFUVJIFCUNRHY-FQEVSTJZSA-N -1 3 370.453 2.533 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000265899044 510288389 /nfs/dbraw/zinc/28/83/89/510288389.db2.gz XUHUQRYCTFPYOS-LLVKDONJSA-N -1 3 370.450 2.526 20 30 FFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(F)nc2)C1=O ZINC000194360719 510327513 /nfs/dbraw/zinc/32/75/13/510327513.db2.gz OMBLZLNRZWWHGS-QGZVFWFLSA-N -1 3 350.394 2.537 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1nnc2n1CCCCC2 ZINC000269661999 510502934 /nfs/dbraw/zinc/50/29/34/510502934.db2.gz LRLRUEYFKSWQAA-OAHLLOKOSA-N -1 3 373.482 2.614 20 30 FFEDHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c1 ZINC000269742714 510533729 /nfs/dbraw/zinc/53/37/29/510533729.db2.gz WGUHQMNRWKMBIB-CQSZACIVSA-N -1 3 364.448 2.858 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 ZINC000188105643 510596073 /nfs/dbraw/zinc/59/60/73/510596073.db2.gz CDKZMPGLLMFQLG-ZDUSSCGKSA-N -1 3 370.858 2.622 20 30 FFEDHM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185072731 510669159 /nfs/dbraw/zinc/66/91/59/510669159.db2.gz JJGPXRBHEWFWTC-BBRMVZONSA-N -1 3 356.875 2.941 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000182216577 510818625 /nfs/dbraw/zinc/81/86/25/510818625.db2.gz HJCLJZAWNGIVGJ-BFUOFWGJSA-N -1 3 364.449 2.801 20 30 FFEDHM CCCCCCCS(=O)(=O)[N-]c1c(C(=O)OCC)cnn1CCC#N ZINC000282268966 510909506 /nfs/dbraw/zinc/90/95/06/510909506.db2.gz HWWQURZFBFGPJH-UHFFFAOYSA-N -1 3 370.475 2.686 20 30 FFEDHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)C(=O)N(CC)CCC#N ZINC000275710824 510910818 /nfs/dbraw/zinc/91/08/18/510910818.db2.gz MWVBOMOVWIFKCW-UHFFFAOYSA-N -1 3 363.439 2.503 20 30 FFEDHM CC[C@H]1OCCC[C@@H]1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000330285154 510958062 /nfs/dbraw/zinc/95/80/62/510958062.db2.gz YLCGKTROJQSNLJ-XJKSGUPXSA-N -1 3 368.455 2.725 20 30 FFEDHM CCC(C)(C)[N-]C(=S)C(C(=O)c1nccs1)[n+]1cc([O-])ccc1F ZINC000278285025 510987789 /nfs/dbraw/zinc/98/77/89/510987789.db2.gz QFKYRWCDNPFTIF-UHFFFAOYSA-O -1 3 368.479 2.992 20 30 FFEDHM C=C[C@](C)(O)CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000289949208 511121414 /nfs/dbraw/zinc/12/14/14/511121414.db2.gz DDIBMNIQEIEGAB-SFHVURJKSA-N -1 3 366.845 2.550 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000271245653 511135637 /nfs/dbraw/zinc/13/56/37/511135637.db2.gz GEQNKRKMZYANFI-UHFFFAOYSA-N -1 3 374.484 2.684 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000333689039 511324513 /nfs/dbraw/zinc/32/45/13/511324513.db2.gz MGZFLJJRAOYQGG-ZDUSSCGKSA-N -1 3 354.859 2.839 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000298679937 511372037 /nfs/dbraw/zinc/37/20/37/511372037.db2.gz WHUFTRRDBKEKEX-FLWONARKSA-N -1 3 369.465 2.948 20 30 FFEDHM CC[C@@H](COCC(F)(F)F)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000295526834 511434518 /nfs/dbraw/zinc/43/45/18/511434518.db2.gz WDXYZMYHAZOQLQ-LBPRGKRZSA-N -1 3 373.375 2.682 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CCCOCCOCc2ccccc2)c1[O-] ZINC000272418573 511493039 /nfs/dbraw/zinc/49/30/39/511493039.db2.gz PXSRUZZMJQRRBA-FYJGNVAPSA-N -1 3 358.438 2.630 20 30 FFEDHM CC(C)[C@@H](C#N)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272710254 511505644 /nfs/dbraw/zinc/50/56/44/511505644.db2.gz CKBBLKWWJFSBFT-RBUKOAKNSA-N -1 3 365.433 2.918 20 30 FFEDHM C#CCn1ccc(CN(CC)C(=O)c2cc([O-])ccc2C(F)(F)F)n1 ZINC000280719117 511575875 /nfs/dbraw/zinc/57/58/75/511575875.db2.gz ICOUHLKRZRHUFX-UHFFFAOYSA-N -1 3 351.328 2.903 20 30 FFEDHM COC(=O)Cc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000299291593 511580567 /nfs/dbraw/zinc/58/05/67/511580567.db2.gz QSKANJRIYJXGPL-UHFFFAOYSA-N -1 3 368.389 2.529 20 30 FFEDHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000296282183 511683593 /nfs/dbraw/zinc/68/35/93/511683593.db2.gz ZAMTYXKMOXACBU-UHFFFAOYSA-N -1 3 372.372 2.520 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000315729456 511801600 /nfs/dbraw/zinc/80/16/00/511801600.db2.gz DVZRMOUUDHCSEI-VIFPVBQESA-N -1 3 368.680 2.708 20 30 FFEDHM Cn1nccc1[C@H]1[C@H](C(=O)Nc2cc(F)ccc2[O-])CCC(=O)N1C1CC1 ZINC000329009785 511967269 /nfs/dbraw/zinc/96/72/69/511967269.db2.gz ZISAVIGXXUGYFG-FZKQIMNGSA-N -1 3 372.400 2.995 20 30 FFEDHM Cc1nc(CN2CCC(CNC(=O)c3ncc(C)cc3[O-])CC2)oc1C ZINC000329613080 512077451 /nfs/dbraw/zinc/07/74/51/512077451.db2.gz DTULLMVOVMUPCI-UHFFFAOYSA-N -1 3 358.442 2.917 20 30 FFEDHM N#Cc1ncn(-c2ccccc2NC(=O)Cc2ccc([O-])cc2Cl)n1 ZINC000366545592 512080954 /nfs/dbraw/zinc/08/09/54/512080954.db2.gz QQLQTBGRNOYALK-UHFFFAOYSA-N -1 3 353.769 2.679 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC2CC(C(F)(F)F)C2)NC(=O)[N-]C1=O ZINC000329704813 512088396 /nfs/dbraw/zinc/08/83/96/512088396.db2.gz JQQZOOSNZROAJF-PVOJZGJBSA-N -1 3 362.352 2.739 20 30 FFEDHM CC[C@@H](NC(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)F ZINC000411563485 512691030 /nfs/dbraw/zinc/69/10/30/512691030.db2.gz CUVBEUWPBGMOHB-SCZZXKLOSA-N -1 3 374.256 2.844 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1[O-] ZINC000411833229 512835761 /nfs/dbraw/zinc/83/57/61/512835761.db2.gz HTEWQSLJHMHCTF-UHFFFAOYSA-N -1 3 367.380 2.568 20 30 FFEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CN1Cc1ccccc1 ZINC000398083828 512953904 /nfs/dbraw/zinc/95/39/04/512953904.db2.gz LCZNCHBLRGNBRN-HIFRSBDPSA-N -1 3 361.492 2.561 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000425189876 513443443 /nfs/dbraw/zinc/44/34/43/513443443.db2.gz OLLOVOIFJSCYNW-WCBMZHEXSA-N -1 3 363.317 2.584 20 30 FFEDHM CCC(CC)(C[N-]S(=O)(=O)CC1(C#N)CCC1)C(=O)OC(C)(C)C ZINC000425191649 513445033 /nfs/dbraw/zinc/44/50/33/513445033.db2.gz XEDQWUBWNFGCSF-UHFFFAOYSA-N -1 3 358.504 2.748 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(C)(F)F ZINC000451068787 513495723 /nfs/dbraw/zinc/49/57/23/513495723.db2.gz JAUVMYVSZJUTOZ-ZETCQYMHSA-N -1 3 353.188 2.643 20 30 FFEDHM COc1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1Br ZINC000425274440 513486694 /nfs/dbraw/zinc/48/66/94/513486694.db2.gz RHENDSRDARJQFV-LLVKDONJSA-N -1 3 361.199 2.750 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)s1 ZINC000435416898 513576461 /nfs/dbraw/zinc/57/64/61/513576461.db2.gz JSRYKURKZKYQFT-UHFFFAOYSA-N -1 3 366.439 2.743 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)s1 ZINC000435434534 513586835 /nfs/dbraw/zinc/58/68/35/513586835.db2.gz SNMFMOKZFQTKES-UHFFFAOYSA-N -1 3 356.856 2.768 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)s1 ZINC000435434405 513587050 /nfs/dbraw/zinc/58/70/50/513587050.db2.gz XQZYASHFERNKBP-ZDUSSCGKSA-N -1 3 352.412 2.951 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)s1 ZINC000435438889 513588501 /nfs/dbraw/zinc/58/85/01/513588501.db2.gz QFTULFGHSLWUNV-UHFFFAOYSA-N -1 3 362.476 2.646 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC000435443772 513592093 /nfs/dbraw/zinc/59/20/93/513592093.db2.gz PYZOBHAIQZLWDZ-CQSZACIVSA-N -1 3 369.899 2.854 20 30 FFEDHM COC1CCC([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416541008 513824789 /nfs/dbraw/zinc/82/47/89/513824789.db2.gz IXVSMKDJWKDFIM-UHFFFAOYSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)cc1 ZINC000443017044 513843642 /nfs/dbraw/zinc/84/36/42/513843642.db2.gz KRKJVCZLIKYKHW-LLVKDONJSA-N -1 3 363.370 2.688 20 30 FFEDHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000443027772 513847189 /nfs/dbraw/zinc/84/71/89/513847189.db2.gz ZYZSTRWHRVQAOP-INIZCTEOSA-N -1 3 358.419 2.531 20 30 FFEDHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443067865 513860939 /nfs/dbraw/zinc/86/09/39/513860939.db2.gz JVHPRZVDPBRMJW-STQMWFEESA-N -1 3 355.891 2.753 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)no1 ZINC000443105461 513872552 /nfs/dbraw/zinc/87/25/52/513872552.db2.gz PPDHDBMPNIJLRA-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451656861 513892750 /nfs/dbraw/zinc/89/27/50/513892750.db2.gz VAPJSJUTYQHOFX-SECBINFHSA-N -1 3 370.780 2.847 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)c1 ZINC000416666538 513897097 /nfs/dbraw/zinc/89/70/97/513897097.db2.gz VXOORIUDDYBXSA-AWEZNQCLSA-N -1 3 356.875 2.821 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)c(C)o1 ZINC000416667298 513898477 /nfs/dbraw/zinc/89/84/77/513898477.db2.gz YHKJDDPNBNNSRP-OAHLLOKOSA-N -1 3 374.418 2.602 20 30 FFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C12CCC2 ZINC000443247731 513911330 /nfs/dbraw/zinc/91/13/30/513911330.db2.gz UZYMATVLVWRZCF-CABCVRRESA-N -1 3 354.859 2.838 20 30 FFEDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443352767 513946937 /nfs/dbraw/zinc/94/69/37/513946937.db2.gz PCBOFIGFRNSYDF-AWEZNQCLSA-N -1 3 364.854 2.748 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C[C@H](C)C#N)C2CC2)c1 ZINC000436975524 514058299 /nfs/dbraw/zinc/05/82/99/514058299.db2.gz BCIPZGAAAUIKDD-LLVKDONJSA-N -1 3 368.393 2.705 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)N(CC(F)F)CCS2 ZINC000416956971 514066327 /nfs/dbraw/zinc/06/63/27/514066327.db2.gz KTFSURTVDPXZGV-LLVKDONJSA-N -1 3 361.439 2.908 20 30 FFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000452026515 514143859 /nfs/dbraw/zinc/14/38/59/514143859.db2.gz UPLVMFOCCFXVIB-SECBINFHSA-N -1 3 354.255 2.607 20 30 FFEDHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C)OC ZINC000424066034 514365128 /nfs/dbraw/zinc/36/51/28/514365128.db2.gz MQTKOVJGXUQSFM-JTQLQIEISA-N -1 3 361.261 2.796 20 30 FFEDHM N#C[C@H]([N-]S(=O)(=O)CCOCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000424212470 514419379 /nfs/dbraw/zinc/41/93/79/514419379.db2.gz PFIFWQMIDLIUTQ-AWEZNQCLSA-N -1 3 362.373 2.616 20 30 FFEDHM N#Cc1ccccc1-c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428392884 514465513 /nfs/dbraw/zinc/46/55/13/514465513.db2.gz VRLHMSSEGMHMOB-UHFFFAOYSA-N -1 3 374.425 2.970 20 30 FFEDHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000445750872 514514889 /nfs/dbraw/zinc/51/48/89/514514889.db2.gz SYQFPTPLIALCTK-INIZCTEOSA-N -1 3 356.875 2.821 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000466366281 514623940 /nfs/dbraw/zinc/62/39/40/514623940.db2.gz FPMLRKYPHKYUPU-OAHLLOKOSA-N -1 3 371.441 2.802 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000466366281 514623941 /nfs/dbraw/zinc/62/39/41/514623941.db2.gz FPMLRKYPHKYUPU-OAHLLOKOSA-N -1 3 371.441 2.802 20 30 FFEDHM C=CC[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1ccccc1 ZINC000461611512 514664906 /nfs/dbraw/zinc/66/49/06/514664906.db2.gz TXLWBTGKHASGHW-AWEZNQCLSA-N -1 3 351.406 2.881 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000471252512 514814827 /nfs/dbraw/zinc/81/48/27/514814827.db2.gz ZEFVAIZUEDBJSR-UHFFFAOYSA-N -1 3 366.421 2.923 20 30 FFEDHM CC(C)(C#N)c1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000480475435 514970862 /nfs/dbraw/zinc/97/08/62/514970862.db2.gz FFHZRVSZJRIUPA-UHFFFAOYSA-N -1 3 352.320 2.946 20 30 FFEDHM CC(C)(C#N)c1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000480475435 514970873 /nfs/dbraw/zinc/97/08/73/514970873.db2.gz FFHZRVSZJRIUPA-UHFFFAOYSA-N -1 3 352.320 2.946 20 30 FFEDHM CC(C)(C#N)c1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000480475435 514970879 /nfs/dbraw/zinc/97/08/79/514970879.db2.gz FFHZRVSZJRIUPA-UHFFFAOYSA-N -1 3 352.320 2.946 20 30 FFEDHM C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000453877365 514975374 /nfs/dbraw/zinc/97/53/74/514975374.db2.gz FPDOHJHBDIQDDB-UHFFFAOYSA-N -1 3 368.437 2.679 20 30 FFEDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489810360 514984591 /nfs/dbraw/zinc/98/45/91/514984591.db2.gz WQEQWBCARKFORH-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489867826 515005688 /nfs/dbraw/zinc/00/56/88/515005688.db2.gz CLHZJDPEAUIRMX-XXFAHNHDSA-N -1 3 350.346 2.637 20 30 FFEDHM N#CC[C@@H](CC(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000476355883 515016556 /nfs/dbraw/zinc/01/65/56/515016556.db2.gz HVEAYOJACFUGHC-KRWDZBQOSA-N -1 3 365.433 2.716 20 30 FFEDHM C=CCC[C@H](NC(=O)c1cncc([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000503449191 515036793 /nfs/dbraw/zinc/03/67/93/515036793.db2.gz CDYMKFXECQFFDA-KRWDZBQOSA-N -1 3 359.451 2.890 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000498794017 515069732 /nfs/dbraw/zinc/06/97/32/515069732.db2.gz UEXZTRMEZAYMOW-UHFFFAOYSA-N -1 3 356.744 2.916 20 30 FFEDHM C=CC[C@H](CC)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000467687187 515078780 /nfs/dbraw/zinc/07/87/80/515078780.db2.gz QXBGPUPCWOOIGH-LBPRGKRZSA-N -1 3 358.442 2.725 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000462683182 515188932 /nfs/dbraw/zinc/18/89/32/515188932.db2.gz YIYOVAYOHHBBDZ-UHFFFAOYSA-N -1 3 367.333 2.883 20 30 FFEDHM COCc1nocc1C(=O)[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000485792940 515190586 /nfs/dbraw/zinc/19/05/86/515190586.db2.gz ATFNDYKZJPCEAE-UHFFFAOYSA-N -1 3 354.391 2.992 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1[N+](=O)[O-] ZINC000490478088 515227978 /nfs/dbraw/zinc/22/79/78/515227978.db2.gz SGELRYFBJBRPLA-UHFFFAOYSA-N -1 3 363.370 2.819 20 30 FFEDHM C=CCC[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])C(=O)OCC ZINC000456607790 515284207 /nfs/dbraw/zinc/28/42/07/515284207.db2.gz MUPVVBKSMRALEX-CYBMUJFWSA-N -1 3 370.243 2.711 20 30 FFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000463329094 515443465 /nfs/dbraw/zinc/44/34/65/515443465.db2.gz URRREFDHPSFQTP-UHFFFAOYSA-N -1 3 352.847 2.792 20 30 FFEDHM COc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)ccc1[N+](=O)[O-] ZINC000486491132 515507164 /nfs/dbraw/zinc/50/71/64/515507164.db2.gz USJFKDMPPITUPA-UHFFFAOYSA-N -1 3 367.770 2.929 20 30 FFEDHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000510449367 515543789 /nfs/dbraw/zinc/54/37/89/515543789.db2.gz HTJMWONJTNYYHL-UHFFFAOYSA-N -1 3 370.858 2.612 20 30 FFEDHM CC[C@]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)(C(=O)OC)c1ccccc1 ZINC000510487333 515554407 /nfs/dbraw/zinc/55/44/07/515554407.db2.gz APFHKWWVXMTROE-LJQANCHMSA-N -1 3 372.446 2.624 20 30 FFEDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n[nH]1 ZINC000486601498 515556281 /nfs/dbraw/zinc/55/62/81/515556281.db2.gz IULNXJMEJPKDLY-NXEZZACHSA-N -1 3 367.862 2.883 20 30 FFEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CC[C@H](C)C1 ZINC000482668104 515761143 /nfs/dbraw/zinc/76/11/43/515761143.db2.gz VEDQDJSQJBIFQY-XJKSGUPXSA-N -1 3 359.470 2.872 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CO)CC1CCCC1 ZINC000500602721 515787107 /nfs/dbraw/zinc/78/71/07/515787107.db2.gz VRLKZHHJNINCPJ-INIZCTEOSA-N -1 3 359.470 2.513 20 30 FFEDHM C=CC(C)(C)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000455049384 515920234 /nfs/dbraw/zinc/92/02/34/515920234.db2.gz GHMHIQDPHDGXJJ-UHFFFAOYSA-N -1 3 355.435 2.600 20 30 FFEDHM C=CCC1(CNC(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000455067821 515936528 /nfs/dbraw/zinc/93/65/28/515936528.db2.gz YZEKNINYNCLLFD-MRXNPFEDSA-N -1 3 370.453 2.695 20 30 FFEDHM CN1C(=O)c2ccc(C([O-])=C(C#N)c3nccc4ccccc43)cc2C1=O ZINC000483219159 515989900 /nfs/dbraw/zinc/98/99/00/515989900.db2.gz ROEXYAHTTABOCZ-KRWDZBQOSA-N -1 3 355.353 2.951 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000543623496 516332898 /nfs/dbraw/zinc/33/28/98/516332898.db2.gz FRMGRFHZWKAWJR-ZDUSSCGKSA-N -1 3 372.780 2.502 20 30 FFEDHM N#Cc1ccc(CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000523157495 516400463 /nfs/dbraw/zinc/40/04/63/516400463.db2.gz CYGFRBLZUKJBJZ-UHFFFAOYSA-N -1 3 361.361 2.850 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)c(F)c1 ZINC000528551078 516523099 /nfs/dbraw/zinc/52/30/99/516523099.db2.gz HJXPCLPDYCEXTC-UHFFFAOYSA-N -1 3 374.437 2.990 20 30 FFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3ccnc3)cc2)n1 ZINC000540563957 516621960 /nfs/dbraw/zinc/62/19/60/516621960.db2.gz MRSXWPDZEDMCIG-AWEZNQCLSA-N -1 3 366.402 2.996 20 30 FFEDHM N#CC(=C([O-])c1ccoc1CC(N)=O)c1nc2ccccc2n1C(F)F ZINC000513661506 516708432 /nfs/dbraw/zinc/70/84/32/516708432.db2.gz PIGITHSTMCOTBT-JTQLQIEISA-N -1 3 358.304 2.542 20 30 FFEDHM C=C[C@](C)(O)CC(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000554999388 516738999 /nfs/dbraw/zinc/73/89/99/516738999.db2.gz IAFDFSNIIJVJPI-HNNXBMFYSA-N -1 3 368.206 2.666 20 30 FFEDHM CN(CCOCc1ccc(C#N)cc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000558577788 516817098 /nfs/dbraw/zinc/81/70/98/516817098.db2.gz XEWNPPIXJPJGHV-UHFFFAOYSA-N -1 3 361.401 2.689 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000544725408 516897217 /nfs/dbraw/zinc/89/72/17/516897217.db2.gz GLGWDTMIBPIGOB-JKSUJKDBSA-N -1 3 370.421 2.798 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C2CC2)c(F)c1 ZINC000544728019 516898212 /nfs/dbraw/zinc/89/82/12/516898212.db2.gz UCWRHESMAHGQQL-UHFFFAOYSA-N -1 3 370.409 2.860 20 30 FFEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)cc(OC)c1Br ZINC000544815047 516939917 /nfs/dbraw/zinc/93/99/17/516939917.db2.gz UBODMYDTVNYQSZ-JTQLQIEISA-N -1 3 362.183 2.746 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000562239537 516975411 /nfs/dbraw/zinc/97/54/11/516975411.db2.gz DQMDWGORAWJRHG-ZBEGNZNMSA-N -1 3 372.874 2.724 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000548441029 516985492 /nfs/dbraw/zinc/98/54/92/516985492.db2.gz QMMVOQCFDDEXRO-UGSOOPFHSA-N -1 3 361.442 2.667 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nnn1Cc1ccncc1 ZINC000552324929 517197665 /nfs/dbraw/zinc/19/76/65/517197665.db2.gz MXAMZNJJSHKPOU-OAHLLOKOSA-N -1 3 371.404 2.705 20 30 FFEDHM COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000545370472 517203063 /nfs/dbraw/zinc/20/30/63/517203063.db2.gz YLBZGKFXQGXEAV-YOEHRIQHSA-N -1 3 366.483 2.775 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000552381636 517232348 /nfs/dbraw/zinc/23/23/48/517232348.db2.gz GIKALSFLLVYJKX-LBPRGKRZSA-N -1 3 363.421 2.962 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCN1C1CC1 ZINC000559551788 517313188 /nfs/dbraw/zinc/31/31/88/517313188.db2.gz MPYKXKDEQMHOPE-HNNXBMFYSA-N -1 3 353.875 2.507 20 30 FFEDHM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCC1 ZINC000538282012 517540565 /nfs/dbraw/zinc/54/05/65/517540565.db2.gz BJTSXFQCNXNXFB-LBPRGKRZSA-N -1 3 356.875 2.679 20 30 FFEDHM N#CC(=C([O-])c1ccc(I)c(F)c1)c1ccncn1 ZINC000546152510 517569905 /nfs/dbraw/zinc/56/99/05/517569905.db2.gz FDGMHDFHQNSKTH-SECBINFHSA-N -1 3 367.121 2.710 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000516178451 517603242 /nfs/dbraw/zinc/60/32/42/517603242.db2.gz YHLLRVUJHFSGIA-NXEZZACHSA-N -1 3 361.236 2.880 20 30 FFEDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553861970 517939191 /nfs/dbraw/zinc/93/91/91/517939191.db2.gz YMIDPWKFIJYXKN-ZETCQYMHSA-N -1 3 371.178 2.940 20 30 FFEDHM N#CC1(NC(=O)CSCc2cc(=O)[n-]c(-c3ccccc3)n2)CCC1 ZINC000557273341 517944443 /nfs/dbraw/zinc/94/44/43/517944443.db2.gz ZXLAQXXIQOOAHZ-UHFFFAOYSA-N -1 3 354.435 2.645 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCc1ccccc1O ZINC000543361423 518044885 /nfs/dbraw/zinc/04/48/85/518044885.db2.gz VAMZVSOFXYNDHN-UHFFFAOYSA-N -1 3 353.422 2.615 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c(F)c1 ZINC000547332858 518084809 /nfs/dbraw/zinc/08/48/09/518084809.db2.gz SHMPHABANFEFAJ-UHFFFAOYSA-N -1 3 352.774 2.512 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(=O)NC4CC4)cc3)nc1-2 ZINC000535315841 518174412 /nfs/dbraw/zinc/17/44/12/518174412.db2.gz VKFZTCJIPGZWET-HNNXBMFYSA-N -1 3 359.389 2.649 20 30 FFEDHM CC[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)s2)OCCc2ccccc21 ZINC000564353689 518413530 /nfs/dbraw/zinc/41/35/30/518413530.db2.gz BPUVXNXCPCUHIR-KRWDZBQOSA-N -1 3 362.476 2.776 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(n1)CCCC2=O ZINC000576246116 518501093 /nfs/dbraw/zinc/50/10/93/518501093.db2.gz BXLZNXNIXABILQ-UHFFFAOYSA-N -1 3 364.405 2.761 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1cccnc1 ZINC000585708265 518569668 /nfs/dbraw/zinc/56/96/68/518569668.db2.gz MUZGYHPEARGBLB-JTQLQIEISA-N -1 3 366.240 2.755 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)OCCc2sccc21 ZINC000582210511 518638932 /nfs/dbraw/zinc/63/89/32/518638932.db2.gz TZTRBIGTYVESPP-MRXNPFEDSA-N -1 3 366.439 2.525 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000579675445 518794785 /nfs/dbraw/zinc/79/47/85/518794785.db2.gz WFWBTUZTRLJQEH-ZJUUUORDSA-N -1 3 366.302 2.831 20 30 FFEDHM CC(C)C[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc(C#N)o2)ccn1 ZINC000579971872 518944634 /nfs/dbraw/zinc/94/46/34/518944634.db2.gz RXCRLTZDWNMWID-CYBMUJFWSA-N -1 3 363.439 2.838 20 30 FFEDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21 ZINC000589230164 518959295 /nfs/dbraw/zinc/95/92/95/518959295.db2.gz YVLTWROVUXXMLA-OAHLLOKOSA-N -1 3 374.418 2.521 20 30 FFEDHM Cc1ccc(C(=O)NCCC(=O)N[C@](C)(C#N)C2CCCCC2)c([O-])c1 ZINC000574121183 518995774 /nfs/dbraw/zinc/99/57/74/518995774.db2.gz PIBBCENLCWLBCV-HXUWFJFHSA-N -1 3 357.454 2.799 20 30 FFEDHM CC1(C)c2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2NC1=O ZINC000568464647 519049096 /nfs/dbraw/zinc/04/90/96/519049096.db2.gz TYTQXYYRUZHLKD-ZDUSSCGKSA-N -1 3 363.421 2.724 20 30 FFEDHM C=CCCCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000571846931 519305083 /nfs/dbraw/zinc/30/50/83/519305083.db2.gz JRHQMNFPOKHYCL-UHFFFAOYSA-N -1 3 365.282 2.744 20 30 FFEDHM Cc1csc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1C#N ZINC000577983057 519355869 /nfs/dbraw/zinc/35/58/69/519355869.db2.gz PBRJCCWVGOKBME-UHFFFAOYSA-N -1 3 354.351 2.669 20 30 FFEDHM N#CCc1ccc(CS(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)cc1 ZINC000583809419 519444786 /nfs/dbraw/zinc/44/47/86/519444786.db2.gz PTECYBRAEYNHMR-UHFFFAOYSA-N -1 3 370.421 2.567 20 30 FFEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccc(C#N)c(Cl)c3)cn21 ZINC000591328450 519593067 /nfs/dbraw/zinc/59/30/67/519593067.db2.gz ZWKSWICRZAPWOH-LLVKDONJSA-N -1 3 364.858 2.784 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)c1 ZINC000594491024 519999982 /nfs/dbraw/zinc/99/99/82/519999982.db2.gz MFZVKSDMGVGENV-OAHLLOKOSA-N -1 3 352.431 2.609 20 30 FFEDHM COc1cccc(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)c1F ZINC000594577117 520036252 /nfs/dbraw/zinc/03/62/52/520036252.db2.gz NMWUKDKWCNLYMU-GOSISDBHSA-N -1 3 360.410 2.564 20 30 FFEDHM Cn1cc(Br)c(=NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[n-]1 ZINC000603046493 520046181 /nfs/dbraw/zinc/04/61/81/520046181.db2.gz CBQSBCICBVRSFX-AWEZNQCLSA-N -1 3 374.242 2.675 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594720619 520112410 /nfs/dbraw/zinc/11/24/10/520112410.db2.gz LULWYQNFLQWHNF-LBPRGKRZSA-N -1 3 363.252 2.946 20 30 FFEDHM CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000597616055 520138461 /nfs/dbraw/zinc/13/84/61/520138461.db2.gz CDNQNXCXGRAFHY-SFHVURJKSA-N -1 3 373.497 2.597 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C1(C)C ZINC000594767130 520145705 /nfs/dbraw/zinc/14/57/05/520145705.db2.gz LTOQRFKULGBRCO-ZIAGYGMSSA-N -1 3 350.465 2.519 20 30 FFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594778258 520152741 /nfs/dbraw/zinc/15/27/41/520152741.db2.gz FYHCKFGDIIIYLF-UHFFFAOYSA-N -1 3 362.411 2.751 20 30 FFEDHM COCC1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCC1 ZINC000594781100 520154622 /nfs/dbraw/zinc/15/46/22/520154622.db2.gz PFOSWGOLFACQKQ-UHFFFAOYSA-N -1 3 350.465 2.929 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)Cc2cc(F)ccc2Br)CCC1 ZINC000594783220 520155837 /nfs/dbraw/zinc/15/58/37/520155837.db2.gz KGNDQWDAIXKSAV-UHFFFAOYSA-N -1 3 361.236 2.701 20 30 FFEDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000595356354 520426482 /nfs/dbraw/zinc/42/64/82/520426482.db2.gz YNYXLLHMXOLKTJ-QZTJIDSGSA-N -1 3 362.426 2.734 20 30 FFEDHM Cc1nc([C@H]2CCCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)no1 ZINC000609975627 520494049 /nfs/dbraw/zinc/49/40/49/520494049.db2.gz PWMUSVCATPGGLV-MRXNPFEDSA-N -1 3 369.425 2.654 20 30 FFEDHM N#Cc1ccc(CN2CCCN(C(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC000613443261 520503446 /nfs/dbraw/zinc/50/34/46/520503446.db2.gz ODRLTFFVQMUITK-UHFFFAOYSA-N -1 3 353.397 2.751 20 30 FFEDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084683 520534053 /nfs/dbraw/zinc/53/40/53/520534053.db2.gz OPHMHPHLFGTGQM-HNNXBMFYSA-N -1 3 353.463 2.630 20 30 FFEDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)n1 ZINC000601442406 520787261 /nfs/dbraw/zinc/78/72/61/520787261.db2.gz BJZMLTPPMQIWBP-SNVBAGLBSA-N -1 3 353.444 2.897 20 30 FFEDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)n1 ZINC000601443854 520789304 /nfs/dbraw/zinc/78/93/04/520789304.db2.gz VJAACNREAQMQCS-SNVBAGLBSA-N -1 3 353.444 2.897 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3coc(C4CC4)n3)sc2C1 ZINC000598891456 520905023 /nfs/dbraw/zinc/90/50/23/520905023.db2.gz QGCQLSIEQIOVRJ-UHFFFAOYSA-N -1 3 356.407 2.642 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000611028882 520954460 /nfs/dbraw/zinc/95/44/60/520954460.db2.gz FORXXWYZCCKJGG-MRVPVSSYSA-N -1 3 351.306 2.584 20 30 FFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)s1 ZINC000611114187 520990980 /nfs/dbraw/zinc/99/09/80/520990980.db2.gz GZIAKICOXIKLJS-SMDDNHRTSA-N -1 3 369.512 2.696 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)N1CCCC1 ZINC000593525587 521049510 /nfs/dbraw/zinc/04/95/10/521049510.db2.gz SVQIMGXBPUYRNW-HNNXBMFYSA-N -1 3 361.492 2.735 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCOCC1 ZINC000593527964 521052763 /nfs/dbraw/zinc/05/27/63/521052763.db2.gz HKWUVJADWBBSOY-UHFFFAOYSA-N -1 3 362.476 2.646 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000593560315 521076710 /nfs/dbraw/zinc/07/67/10/521076710.db2.gz DDJWJMPBBOONIZ-CQSZACIVSA-N -1 3 350.490 2.929 20 30 FFEDHM COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000593574414 521085422 /nfs/dbraw/zinc/08/54/22/521085422.db2.gz CLFLDLMBPIONJM-UHFFFAOYSA-N -1 3 372.393 2.591 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593573362 521085666 /nfs/dbraw/zinc/08/56/66/521085666.db2.gz QGDUACRCRAJEQW-BMIGLBTASA-N -1 3 354.428 2.813 20 30 FFEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593574914 521086317 /nfs/dbraw/zinc/08/63/17/521086317.db2.gz AVIKBIVRZDAAMD-JTQLQIEISA-N -1 3 350.469 2.687 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@H]1OCCc2sccc21 ZINC000593598143 521099652 /nfs/dbraw/zinc/09/96/52/521099652.db2.gz OVOFZDNLYSSGED-YMTOWFKASA-N -1 3 354.478 2.662 20 30 FFEDHM C=CCOCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000618523299 521105977 /nfs/dbraw/zinc/10/59/77/521105977.db2.gz CMMJLKODECMRRD-UHFFFAOYSA-N -1 3 365.227 2.613 20 30 FFEDHM CC(C)C[C@H](C#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000611415021 521143622 /nfs/dbraw/zinc/14/36/22/521143622.db2.gz ZVRROOLXXNSJFW-CYBMUJFWSA-N -1 3 372.450 2.698 20 30 FFEDHM C[C@]1(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)COc2ccccc2O1 ZINC000599365677 521176902 /nfs/dbraw/zinc/17/69/02/521176902.db2.gz GFJWJLXOBSKLDX-KRWDZBQOSA-N -1 3 364.467 2.610 20 30 FFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000611539234 521209268 /nfs/dbraw/zinc/20/92/68/521209268.db2.gz GMIYHBOUKXNCSU-NILFDRSVSA-N -1 3 354.859 2.694 20 30 FFEDHM CCOC(=O)c1ncc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[n-]1 ZINC000619446155 521572174 /nfs/dbraw/zinc/57/21/74/521572174.db2.gz UFKPBIODZHHPHZ-HNNXBMFYSA-N -1 3 356.382 2.500 20 30 FFEDHM CCOC(=O)c1nc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c[n-]1 ZINC000619446155 521572179 /nfs/dbraw/zinc/57/21/79/521572179.db2.gz UFKPBIODZHHPHZ-HNNXBMFYSA-N -1 3 356.382 2.500 20 30 FFEDHM COCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C)c1 ZINC000619462072 521580721 /nfs/dbraw/zinc/58/07/21/521580721.db2.gz YCWPGOWDGNRHRC-UHFFFAOYSA-N -1 3 360.435 2.887 20 30 FFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000619462963 521580961 /nfs/dbraw/zinc/58/09/61/521580961.db2.gz IHWGGLXAIPADFK-QGZVFWFLSA-N -1 3 358.419 2.721 20 30 FFEDHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cccc(CC#N)c2)no1 ZINC000619497827 521598602 /nfs/dbraw/zinc/59/86/02/521598602.db2.gz SWMWPDHUQFOWHZ-UHFFFAOYSA-N -1 3 363.439 2.534 20 30 FFEDHM Cc1nc([N-]C(=O)[C@@H]2CCc3cc(C)ccc3O2)n(-c2ccc(C#N)cc2)n1 ZINC000619517897 521604937 /nfs/dbraw/zinc/60/49/37/521604937.db2.gz FNMYDYQUHKBNCP-IBGZPJMESA-N -1 3 373.416 2.510 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)s1 ZINC000619548720 521764692 /nfs/dbraw/zinc/76/46/92/521764692.db2.gz IEJXELXXBFQENG-UHFFFAOYSA-N -1 3 350.318 2.655 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000736308614 598866375 /nfs/dbraw/zinc/86/63/75/598866375.db2.gz FLPPUZLLQRHHFE-GFCCVEGCSA-N -1 3 368.422 2.539 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000736308614 598866376 /nfs/dbraw/zinc/86/63/76/598866376.db2.gz FLPPUZLLQRHHFE-GFCCVEGCSA-N -1 3 368.422 2.539 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1-c1nnn[n-]1 ZINC000737715971 598914638 /nfs/dbraw/zinc/91/46/38/598914638.db2.gz ITVZOOGQSDLKJV-UHFFFAOYSA-N -1 3 358.405 2.798 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1-c1nn[n-]n1 ZINC000737715971 598914639 /nfs/dbraw/zinc/91/46/39/598914639.db2.gz ITVZOOGQSDLKJV-UHFFFAOYSA-N -1 3 358.405 2.798 20 30 FFEDHM CC(C)(C)c1nc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cs1 ZINC000735657641 598916349 /nfs/dbraw/zinc/91/63/49/598916349.db2.gz UAMDSRARYIYMAA-UHFFFAOYSA-N -1 3 367.438 2.674 20 30 FFEDHM CC(C)(C)c1nc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cs1 ZINC000735657641 598916351 /nfs/dbraw/zinc/91/63/51/598916351.db2.gz UAMDSRARYIYMAA-UHFFFAOYSA-N -1 3 367.438 2.674 20 30 FFEDHM CSCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737182954 598920302 /nfs/dbraw/zinc/92/03/02/598920302.db2.gz WWGKVZVJYNXYIM-UHFFFAOYSA-N -1 3 350.407 2.854 20 30 FFEDHM CSCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737182954 598920304 /nfs/dbraw/zinc/92/03/04/598920304.db2.gz WWGKVZVJYNXYIM-UHFFFAOYSA-N -1 3 350.407 2.854 20 30 FFEDHM N#CC1(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CCC1 ZINC000737679889 598933593 /nfs/dbraw/zinc/93/35/93/598933593.db2.gz TWKUYPIYLRDFCQ-UHFFFAOYSA-N -1 3 374.404 2.622 20 30 FFEDHM N#CC1(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CCC1 ZINC000737679889 598933595 /nfs/dbraw/zinc/93/35/95/598933595.db2.gz TWKUYPIYLRDFCQ-UHFFFAOYSA-N -1 3 374.404 2.622 20 30 FFEDHM COc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1SC ZINC000821712941 607253916 /nfs/dbraw/zinc/25/39/16/607253916.db2.gz OKWATZJLIVMVBL-UHFFFAOYSA-N -1 3 354.439 2.721 20 30 FFEDHM COc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1SC ZINC000821712941 607253917 /nfs/dbraw/zinc/25/39/17/607253917.db2.gz OKWATZJLIVMVBL-UHFFFAOYSA-N -1 3 354.439 2.721 20 30 FFEDHM COc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC(C)C ZINC000821712914 607253958 /nfs/dbraw/zinc/25/39/58/607253958.db2.gz NJXAGENXGVLDKF-UHFFFAOYSA-N -1 3 366.425 2.786 20 30 FFEDHM COc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000821712914 607253959 /nfs/dbraw/zinc/25/39/59/607253959.db2.gz NJXAGENXGVLDKF-UHFFFAOYSA-N -1 3 366.425 2.786 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737722213 599064163 /nfs/dbraw/zinc/06/41/63/599064163.db2.gz FYEUSQZTVUFEAZ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1ccc(SCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737722213 599064165 /nfs/dbraw/zinc/06/41/65/599064165.db2.gz FYEUSQZTVUFEAZ-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM O=C1c2ccc(Cl)cc2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823504746 599112517 /nfs/dbraw/zinc/11/25/17/599112517.db2.gz UCWBFSJYKBFBNJ-KPKJPENVSA-N -1 3 362.780 2.990 20 30 FFEDHM O=C1c2ccc(Cl)cc2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000823504746 599112520 /nfs/dbraw/zinc/11/25/20/599112520.db2.gz UCWBFSJYKBFBNJ-KPKJPENVSA-N -1 3 362.780 2.990 20 30 FFEDHM CCC(CC)NN=C(C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736345620 599148161 /nfs/dbraw/zinc/14/81/61/599148161.db2.gz KERHDHTYCSGMMP-UHFFFAOYSA-N -1 3 352.446 2.863 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1-c1nnn[n-]1 ZINC000737080568 599151069 /nfs/dbraw/zinc/15/10/69/599151069.db2.gz CSEFPTAGTOWIDR-GORDUTHDSA-N -1 3 364.361 2.543 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)OCCO3)cc1-c1nn[n-]n1 ZINC000737080568 599151073 /nfs/dbraw/zinc/15/10/73/599151073.db2.gz CSEFPTAGTOWIDR-GORDUTHDSA-N -1 3 364.361 2.543 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(OCC#N)cc2)cc1-c1nnn[n-]1 ZINC000737080938 599153334 /nfs/dbraw/zinc/15/33/34/599153334.db2.gz JBTOQBIDQYCHMJ-KRXBUXKQSA-N -1 3 361.361 2.674 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(OCC#N)cc2)cc1-c1nn[n-]n1 ZINC000737080938 599153337 /nfs/dbraw/zinc/15/33/37/599153337.db2.gz JBTOQBIDQYCHMJ-KRXBUXKQSA-N -1 3 361.361 2.674 20 30 FFEDHM N#Cc1ccsc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737727792 599170432 /nfs/dbraw/zinc/17/04/32/599170432.db2.gz AQMFNXAABZPRFZ-UHFFFAOYSA-N -1 3 360.399 2.670 20 30 FFEDHM N#Cc1ccsc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737727792 599170433 /nfs/dbraw/zinc/17/04/33/599170433.db2.gz AQMFNXAABZPRFZ-UHFFFAOYSA-N -1 3 360.399 2.670 20 30 FFEDHM N#CCSc1ccccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822814490 599180112 /nfs/dbraw/zinc/18/01/12/599180112.db2.gz FRUHIGKDUXOUDJ-UHFFFAOYSA-N -1 3 368.397 2.551 20 30 FFEDHM N#CCSc1ccccc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822814490 599180114 /nfs/dbraw/zinc/18/01/14/599180114.db2.gz FRUHIGKDUXOUDJ-UHFFFAOYSA-N -1 3 368.397 2.551 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)nc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737709799 599196271 /nfs/dbraw/zinc/19/62/71/599196271.db2.gz QOXNYUAYEUDDJA-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(Cl)nc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737709799 599196273 /nfs/dbraw/zinc/19/62/73/599196273.db2.gz QOXNYUAYEUDDJA-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736172677 599199031 /nfs/dbraw/zinc/19/90/31/599199031.db2.gz BSVQNPQWQHCKJN-GFCCVEGCSA-N -1 3 374.404 2.633 20 30 FFEDHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736172677 599199033 /nfs/dbraw/zinc/19/90/33/599199033.db2.gz BSVQNPQWQHCKJN-GFCCVEGCSA-N -1 3 374.404 2.633 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735410152 599203705 /nfs/dbraw/zinc/20/37/05/599203705.db2.gz VNHRIJGKTAPSIP-GFCCVEGCSA-N -1 3 353.382 2.733 20 30 FFEDHM C=CC[C@@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735410152 599203708 /nfs/dbraw/zinc/20/37/08/599203708.db2.gz VNHRIJGKTAPSIP-GFCCVEGCSA-N -1 3 353.382 2.733 20 30 FFEDHM CCC(CC)n1nccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820903449 607316062 /nfs/dbraw/zinc/31/60/62/607316062.db2.gz UXUNHXUDVROVRP-UHFFFAOYSA-N -1 3 350.386 2.548 20 30 FFEDHM CCC(CC)n1nccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820903449 607316063 /nfs/dbraw/zinc/31/60/63/607316063.db2.gz UXUNHXUDVROVRP-UHFFFAOYSA-N -1 3 350.386 2.548 20 30 FFEDHM CC(C)(C)CN(CCC#N)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735601761 598241840 /nfs/dbraw/zinc/24/18/40/598241840.db2.gz CBHLABKHPGQYCR-UHFFFAOYSA-N -1 3 358.471 2.747 20 30 FFEDHM CC(C)(C)CN(CCC#N)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735601761 598241842 /nfs/dbraw/zinc/24/18/42/598241842.db2.gz CBHLABKHPGQYCR-UHFFFAOYSA-N -1 3 358.471 2.747 20 30 FFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735387805 598417688 /nfs/dbraw/zinc/41/76/88/598417688.db2.gz GPCIFTNPBHNPOS-CQSZACIVSA-N -1 3 362.389 2.726 20 30 FFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735387805 598417689 /nfs/dbraw/zinc/41/76/89/598417689.db2.gz GPCIFTNPBHNPOS-CQSZACIVSA-N -1 3 362.389 2.726 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000737675749 598536873 /nfs/dbraw/zinc/53/68/73/598536873.db2.gz RORVRGJHQWVZKK-KRWDZBQOSA-N -1 3 360.377 2.691 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000737675749 598536875 /nfs/dbraw/zinc/53/68/75/598536875.db2.gz RORVRGJHQWVZKK-KRWDZBQOSA-N -1 3 360.377 2.691 20 30 FFEDHM Cc1nnc(C)n1N=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737520829 598547038 /nfs/dbraw/zinc/54/70/38/598547038.db2.gz IXPAQFSSHIHMFR-UHFFFAOYSA-N -1 3 374.408 2.536 20 30 FFEDHM Cc1nnc(C)n1N=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737520829 598547040 /nfs/dbraw/zinc/54/70/40/598547040.db2.gz IXPAQFSSHIHMFR-UHFFFAOYSA-N -1 3 374.408 2.536 20 30 FFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1O ZINC000737039970 598639127 /nfs/dbraw/zinc/63/91/27/598639127.db2.gz AEASWQMKYKHUKP-VURMDHGXSA-N -1 3 365.393 2.533 20 30 FFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)ccc1O ZINC000737039970 598639128 /nfs/dbraw/zinc/63/91/28/598639128.db2.gz AEASWQMKYKHUKP-VURMDHGXSA-N -1 3 365.393 2.533 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(OCC#N)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201667 598640979 /nfs/dbraw/zinc/64/09/79/598640979.db2.gz GBOTUMCEEBYEPP-BQYQJAHWSA-N -1 3 374.404 2.721 20 30 FFEDHM Cc1c(C(=O)C=Cc2cccc(OCC#N)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201667 598640981 /nfs/dbraw/zinc/64/09/81/598640981.db2.gz GBOTUMCEEBYEPP-BQYQJAHWSA-N -1 3 374.404 2.721 20 30 FFEDHM COc1ccc(OC)c(C=NOCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737108268 598674335 /nfs/dbraw/zinc/67/43/35/598674335.db2.gz JOCOQOYOXFDXKD-UHFFFAOYSA-N -1 3 357.345 2.574 20 30 FFEDHM COc1ccc(OC)c(C=NOCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737108268 598674337 /nfs/dbraw/zinc/67/43/37/598674337.db2.gz JOCOQOYOXFDXKD-UHFFFAOYSA-N -1 3 357.345 2.574 20 30 FFEDHM Cc1cc(C(=O)N(C)[C@H](C)CC#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227101 598753374 /nfs/dbraw/zinc/75/33/74/598753374.db2.gz IQLAJYPOSRJFAJ-GFCCVEGCSA-N -1 3 363.425 2.648 20 30 FFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000735419553 598757074 /nfs/dbraw/zinc/75/70/74/598757074.db2.gz VKYBSMGWKLJWLF-UHFFFAOYSA-N -1 3 361.471 2.624 20 30 FFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735419553 598757076 /nfs/dbraw/zinc/75/70/76/598757076.db2.gz VKYBSMGWKLJWLF-UHFFFAOYSA-N -1 3 361.471 2.624 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cncc(F)c1 ZINC000735418329 598818367 /nfs/dbraw/zinc/81/83/67/598818367.db2.gz AYAOQLANNQDRMZ-SREVYHEPSA-N -1 3 364.384 2.629 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cncc(F)c1 ZINC000735418329 598818368 /nfs/dbraw/zinc/81/83/68/598818368.db2.gz AYAOQLANNQDRMZ-SREVYHEPSA-N -1 3 364.384 2.629 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1cncc(F)c1 ZINC000735418331 598818377 /nfs/dbraw/zinc/81/83/77/598818377.db2.gz AYAOQLANNQDRMZ-VOTSOKGWSA-N -1 3 364.384 2.629 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1cncc(F)c1 ZINC000735418331 598818379 /nfs/dbraw/zinc/81/83/79/598818379.db2.gz AYAOQLANNQDRMZ-VOTSOKGWSA-N -1 3 364.384 2.629 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1COc2ccccc21 ZINC000735419044 598822422 /nfs/dbraw/zinc/82/24/22/598822422.db2.gz PFHZEJZMLNMFOK-QGZVFWFLSA-N -1 3 361.405 2.558 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1COc2ccccc21 ZINC000735419044 598822423 /nfs/dbraw/zinc/82/24/23/598822423.db2.gz PFHZEJZMLNMFOK-QGZVFWFLSA-N -1 3 361.405 2.558 20 30 FFEDHM COc1cc(C#N)ccc1OCCSc1ccccc1-c1nnn[n-]1 ZINC000821703217 599349528 /nfs/dbraw/zinc/34/95/28/599349528.db2.gz UXSZKLUHXXQNMP-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM COc1cc(C#N)ccc1OCCSc1ccccc1-c1nn[n-]n1 ZINC000821703217 599349529 /nfs/dbraw/zinc/34/95/29/599349529.db2.gz UXSZKLUHXXQNMP-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM C=CCOc1ccc(OS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000819759376 599371295 /nfs/dbraw/zinc/37/12/95/599371295.db2.gz VNHMSGCDRXGPEA-UHFFFAOYSA-N -1 3 372.406 2.508 20 30 FFEDHM C=CCOc1ccc(OS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000819759376 599371297 /nfs/dbraw/zinc/37/12/97/599371297.db2.gz VNHMSGCDRXGPEA-UHFFFAOYSA-N -1 3 372.406 2.508 20 30 FFEDHM C=CCNc1nnc(SCc2cc(-c3nn[n-]n3)ccc2OC)s1 ZINC000819751090 607375152 /nfs/dbraw/zinc/37/51/52/607375152.db2.gz PBCQYDYKJPPSMQ-UHFFFAOYSA-N -1 3 361.456 2.617 20 30 FFEDHM COc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737117252 599460911 /nfs/dbraw/zinc/46/09/11/599460911.db2.gz YOUXMAIVTRENNF-MDWZMJQESA-N -1 3 372.388 2.736 20 30 FFEDHM COc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737117252 599460914 /nfs/dbraw/zinc/46/09/14/599460914.db2.gz YOUXMAIVTRENNF-MDWZMJQESA-N -1 3 372.388 2.736 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CCSC ZINC000735420816 599505756 /nfs/dbraw/zinc/50/57/56/599505756.db2.gz UKOFCPJJUAPEFK-CYBMUJFWSA-N -1 3 360.487 2.706 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)CCSC ZINC000735420816 599505758 /nfs/dbraw/zinc/50/57/58/599505758.db2.gz UKOFCPJJUAPEFK-CYBMUJFWSA-N -1 3 360.487 2.706 20 30 FFEDHM Cc1ccc2c(c1C)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CO2 ZINC000737376590 599537410 /nfs/dbraw/zinc/53/74/10/599537410.db2.gz IXAUQEUCWAORLC-VGOFMYFVSA-N -1 3 372.388 2.790 20 30 FFEDHM Cc1ccc2c(c1C)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CO2 ZINC000737376590 599537413 /nfs/dbraw/zinc/53/74/13/599537413.db2.gz IXAUQEUCWAORLC-VGOFMYFVSA-N -1 3 372.388 2.790 20 30 FFEDHM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825493478 607782778 /nfs/dbraw/zinc/78/27/78/607782778.db2.gz LVADQQNNGWACDG-NSHDSACASA-N -1 3 364.356 2.633 20 30 FFEDHM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825493478 607782779 /nfs/dbraw/zinc/78/27/79/607782779.db2.gz LVADQQNNGWACDG-NSHDSACASA-N -1 3 364.356 2.633 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000826251593 607428803 /nfs/dbraw/zinc/42/88/03/607428803.db2.gz UZTPBAJCFCVWNO-UHFFFAOYSA-N -1 3 350.407 2.849 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000826251593 607428804 /nfs/dbraw/zinc/42/88/04/607428804.db2.gz UZTPBAJCFCVWNO-UHFFFAOYSA-N -1 3 350.407 2.849 20 30 FFEDHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(N2CCOCC2)c1 ZINC000832933399 601560810 /nfs/dbraw/zinc/56/08/10/601560810.db2.gz AEXVXLZZISUVQD-HXUWFJFHSA-N -1 3 365.433 2.619 20 30 FFEDHM CCOc1cccc(C=NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1O ZINC000825649448 607527143 /nfs/dbraw/zinc/52/71/43/607527143.db2.gz PYVNOWGXJZMGAK-ODLFYWEKSA-N -1 3 353.382 2.599 20 30 FFEDHM CCOc1cccc(C=NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1O ZINC000825649448 607527144 /nfs/dbraw/zinc/52/71/44/607527144.db2.gz PYVNOWGXJZMGAK-ODLFYWEKSA-N -1 3 353.382 2.599 20 30 FFEDHM C#Cc1cccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000823861402 607647203 /nfs/dbraw/zinc/64/72/03/607647203.db2.gz GZNANAMLJSSGAR-UHFFFAOYSA-N -1 3 360.446 2.824 20 30 FFEDHM C#Cc1cccc(NC(=S)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000823861402 607647205 /nfs/dbraw/zinc/64/72/05/607647205.db2.gz GZNANAMLJSSGAR-UHFFFAOYSA-N -1 3 360.446 2.824 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826257019 607660587 /nfs/dbraw/zinc/66/05/87/607660587.db2.gz KFYBIIXJRBKFKC-UHFFFAOYSA-N -1 3 358.405 2.852 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826257019 607660589 /nfs/dbraw/zinc/66/05/89/607660589.db2.gz KFYBIIXJRBKFKC-UHFFFAOYSA-N -1 3 358.405 2.852 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823855888 607695303 /nfs/dbraw/zinc/69/53/03/607695303.db2.gz CKCHCUYPGLYGBE-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823855888 607695304 /nfs/dbraw/zinc/69/53/04/607695304.db2.gz CKCHCUYPGLYGBE-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824385182 607733698 /nfs/dbraw/zinc/73/36/98/607733698.db2.gz NRZSSPLPJNGAJM-JTQLQIEISA-N -1 3 353.411 2.841 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824385182 607733699 /nfs/dbraw/zinc/73/36/99/607733699.db2.gz NRZSSPLPJNGAJM-JTQLQIEISA-N -1 3 353.411 2.841 20 30 FFEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000833414929 605181154 /nfs/dbraw/zinc/18/11/54/605181154.db2.gz TUSKYHQYYDQSDU-HNNXBMFYSA-N -1 3 357.435 3.000 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833941389 605948045 /nfs/dbraw/zinc/94/80/45/605948045.db2.gz ZSLOWJJMPNAYPE-STQMWFEESA-N -1 3 352.394 2.530 20 30 FFEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822344793 606204410 /nfs/dbraw/zinc/20/44/10/606204410.db2.gz ADFKPLRJDJNLQX-UHFFFAOYSA-N -1 3 368.451 2.666 20 30 FFEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822344793 606204411 /nfs/dbraw/zinc/20/44/11/606204411.db2.gz ADFKPLRJDJNLQX-UHFFFAOYSA-N -1 3 368.451 2.666 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3cc(C#N)cn3C)c2-c2nnn[n-]2)C1 ZINC000820727955 606208247 /nfs/dbraw/zinc/20/82/47/606208247.db2.gz RCMRTDNXYQVQQN-SECBINFHSA-N -1 3 367.438 2.515 20 30 FFEDHM C[C@@H]1CCc2c(sc(NC(=O)c3cc(C#N)cn3C)c2-c2nn[n-]n2)C1 ZINC000820727955 606208249 /nfs/dbraw/zinc/20/82/49/606208249.db2.gz RCMRTDNXYQVQQN-SECBINFHSA-N -1 3 367.438 2.515 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548631 606352850 /nfs/dbraw/zinc/35/28/50/606352850.db2.gz DGSKCZBODJCPLW-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548631 606352852 /nfs/dbraw/zinc/35/28/52/606352852.db2.gz DGSKCZBODJCPLW-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1ccccc1 ZINC000822014925 606390575 /nfs/dbraw/zinc/39/05/75/606390575.db2.gz AZRBPVIJRLCEOB-CLFYSBASSA-N -1 3 363.406 2.713 20 30 FFEDHM CON=Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821697587 606398715 /nfs/dbraw/zinc/39/87/15/606398715.db2.gz GRZHBSWGCCUZCG-GFCCVEGCSA-N -1 3 351.366 2.765 20 30 FFEDHM CON=Cc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821697587 606398717 /nfs/dbraw/zinc/39/87/17/606398717.db2.gz GRZHBSWGCCUZCG-GFCCVEGCSA-N -1 3 351.366 2.765 20 30 FFEDHM C#CCOc1ccc([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819710182 606464000 /nfs/dbraw/zinc/46/40/00/606464000.db2.gz YPXZRPIFFSGDHI-LLVKDONJSA-N -1 3 354.391 2.858 20 30 FFEDHM C#CCOc1ccc([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819710182 606464003 /nfs/dbraw/zinc/46/40/03/606464003.db2.gz YPXZRPIFFSGDHI-LLVKDONJSA-N -1 3 354.391 2.858 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000820841863 606512694 /nfs/dbraw/zinc/51/26/94/606512694.db2.gz GUYVPFORRVBCCI-CYBMUJFWSA-N -1 3 368.422 2.539 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000820841863 606512695 /nfs/dbraw/zinc/51/26/95/606512695.db2.gz GUYVPFORRVBCCI-CYBMUJFWSA-N -1 3 368.422 2.539 20 30 FFEDHM CC(C)CN(C[C@@H](O)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820087360 606921700 /nfs/dbraw/zinc/92/17/00/606921700.db2.gz QCCIMKYRAZCSSK-LJQANCHMSA-N -1 3 362.437 2.934 20 30 FFEDHM C=CCCS(=O)(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819739812 607003326 /nfs/dbraw/zinc/00/33/26/607003326.db2.gz ISQUOOJKQVSUPQ-UHFFFAOYSA-N -1 3 372.406 2.944 20 30 FFEDHM C=CCCS(=O)(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819739812 607003328 /nfs/dbraw/zinc/00/33/28/607003328.db2.gz ISQUOOJKQVSUPQ-UHFFFAOYSA-N -1 3 372.406 2.944 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822833846 607082522 /nfs/dbraw/zinc/08/25/22/607082522.db2.gz XODBYASTRTWWBT-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM N#Cc1ccc(SCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822833846 607082524 /nfs/dbraw/zinc/08/25/24/607082524.db2.gz XODBYASTRTWWBT-UHFFFAOYSA-N -1 3 369.381 2.713 20 30 FFEDHM CCN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376770 607800103 /nfs/dbraw/zinc/80/01/03/607800103.db2.gz NJCRGKJJCSTKJP-UHFFFAOYSA-N -1 3 364.434 2.884 20 30 FFEDHM CCN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376770 607800104 /nfs/dbraw/zinc/80/01/04/607800104.db2.gz NJCRGKJJCSTKJP-UHFFFAOYSA-N -1 3 364.434 2.884 20 30 FFEDHM C[C@H](C#N)CN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000824035302 607817326 /nfs/dbraw/zinc/81/73/26/607817326.db2.gz WNRXQHFRZSCPDN-LLVKDONJSA-N -1 3 356.434 2.579 20 30 FFEDHM C[C@H](C#N)CN(C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)C1CC1 ZINC000824035302 607817327 /nfs/dbraw/zinc/81/73/27/607817327.db2.gz WNRXQHFRZSCPDN-LLVKDONJSA-N -1 3 356.434 2.579 20 30 FFEDHM CN(Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccccc1-c1nnn[n-]1 ZINC000825999066 607847588 /nfs/dbraw/zinc/84/75/88/607847588.db2.gz JQBXPJIBROWPLL-UHFFFAOYSA-N -1 3 356.393 2.696 20 30 FFEDHM CN(Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccccc1-c1nn[n-]n1 ZINC000825999066 607847589 /nfs/dbraw/zinc/84/75/89/607847589.db2.gz JQBXPJIBROWPLL-UHFFFAOYSA-N -1 3 356.393 2.696 20 30 FFEDHM CCCCCCCCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000825270928 607859785 /nfs/dbraw/zinc/85/97/85/607859785.db2.gz FDYKHZIZQQGOFB-UHFFFAOYSA-N -1 3 358.446 2.590 20 30 FFEDHM CCCCCCCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000825270928 607859786 /nfs/dbraw/zinc/85/97/86/607859786.db2.gz FDYKHZIZQQGOFB-UHFFFAOYSA-N -1 3 358.446 2.590 20 30 FFEDHM CC(=NO[C@H]1CCCCO1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823962623 607890274 /nfs/dbraw/zinc/89/02/74/607890274.db2.gz NKVSUUDRMHQTRT-KRWDZBQOSA-N -1 3 367.413 2.628 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826187460 607915738 /nfs/dbraw/zinc/91/57/38/607915738.db2.gz QZXANCKQZGKMCH-YWEYNIOJSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826187460 607915739 /nfs/dbraw/zinc/91/57/39/607915739.db2.gz QZXANCKQZGKMCH-YWEYNIOJSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CO2 ZINC000826212640 607915899 /nfs/dbraw/zinc/91/58/99/607915899.db2.gz WOQBAVBOUSWDAE-WDZFZDKYSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CO2 ZINC000826212640 607915900 /nfs/dbraw/zinc/91/59/00/607915900.db2.gz WOQBAVBOUSWDAE-WDZFZDKYSA-N -1 3 352.325 2.673 20 30 FFEDHM CCC(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1F ZINC000825035270 607962470 /nfs/dbraw/zinc/96/24/70/607962470.db2.gz ZDKWSKWHBIADCI-UHFFFAOYSA-N -1 3 364.340 2.722 20 30 FFEDHM CCC(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1F ZINC000825035270 607962471 /nfs/dbraw/zinc/96/24/71/607962471.db2.gz ZDKWSKWHBIADCI-UHFFFAOYSA-N -1 3 364.340 2.722 20 30 FFEDHM C=C[C@@H](CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883663 607980937 /nfs/dbraw/zinc/98/09/37/607980937.db2.gz WYIBPQNFEHESFV-AWEZNQCLSA-N -1 3 362.389 2.953 20 30 FFEDHM C=C[C@@H](CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883663 607980938 /nfs/dbraw/zinc/98/09/38/607980938.db2.gz WYIBPQNFEHESFV-AWEZNQCLSA-N -1 3 362.389 2.953 20 30 FFEDHM C[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824035351 608059620 /nfs/dbraw/zinc/05/96/20/608059620.db2.gz XQPQZXMXIPIJLB-SNVBAGLBSA-N -1 3 368.784 2.954 20 30 FFEDHM C[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824035351 608059621 /nfs/dbraw/zinc/05/96/21/608059621.db2.gz XQPQZXMXIPIJLB-SNVBAGLBSA-N -1 3 368.784 2.954 20 30 FFEDHM Cn1c(C=NNc2cccc(-c3nnn[n-]3)c2)nc2ccc(Cl)cc21 ZINC000826355405 608110418 /nfs/dbraw/zinc/11/04/18/608110418.db2.gz XYSYGCHCMHQBCF-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM Cn1c(C=NNc2cccc(-c3nn[n-]n3)c2)nc2ccc(Cl)cc21 ZINC000826355405 608110419 /nfs/dbraw/zinc/11/04/19/608110419.db2.gz XYSYGCHCMHQBCF-UHFFFAOYSA-N -1 3 352.789 2.853 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn2ccc(C)cc12 ZINC000823914372 608338821 /nfs/dbraw/zinc/33/88/21/608338821.db2.gz HQLINQPSFYMFGV-UHFFFAOYSA-N -1 3 373.420 2.651 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn2ccc(C)cc12 ZINC000823914372 608338823 /nfs/dbraw/zinc/33/88/23/608338823.db2.gz HQLINQPSFYMFGV-UHFFFAOYSA-N -1 3 373.420 2.651 20 30 FFEDHM C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633054 608459545 /nfs/dbraw/zinc/45/95/45/608459545.db2.gz GXNIARYSUNMBPT-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633054 608459546 /nfs/dbraw/zinc/45/95/46/608459546.db2.gz GXNIARYSUNMBPT-GFCCVEGCSA-N -1 3 372.392 2.639 20 30 FFEDHM CN1CCCc2cc(C=[NH+][N-]c3cc(-c4nnn[n-]4)cc(Cl)n3)ccc21 ZINC000826033764 608536253 /nfs/dbraw/zinc/53/62/53/608536253.db2.gz JSDYQJVZRATTIT-UHFFFAOYSA-N -1 3 368.832 2.744 20 30 FFEDHM CN1CCCc2cc(C=[NH+][N-]c3cc(-c4nn[n-]n4)cc(Cl)n3)ccc21 ZINC000826033764 608536254 /nfs/dbraw/zinc/53/62/54/608536254.db2.gz JSDYQJVZRATTIT-UHFFFAOYSA-N -1 3 368.832 2.744 20 30 FFEDHM Oc1cccc2c1CCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826511521 608536565 /nfs/dbraw/zinc/53/65/65/608536565.db2.gz TYQPOFPLNMXLOQ-UHFFFAOYSA-N -1 3 355.789 2.773 20 30 FFEDHM Oc1cccc2c1CCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826511521 608536566 /nfs/dbraw/zinc/53/65/66/608536566.db2.gz TYQPOFPLNMXLOQ-UHFFFAOYSA-N -1 3 355.789 2.773 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824523391 608574438 /nfs/dbraw/zinc/57/44/38/608574438.db2.gz ZULVCUGPUPUDMO-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824523391 608574439 /nfs/dbraw/zinc/57/44/39/608574439.db2.gz ZULVCUGPUPUDMO-SNVBAGLBSA-N -1 3 352.785 2.883 20 30 FFEDHM COc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826178608 608876277 /nfs/dbraw/zinc/87/62/77/608876277.db2.gz FBRIHHVJZFPIHY-VURMDHGXSA-N -1 3 351.322 2.680 20 30 FFEDHM COc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826178608 608876280 /nfs/dbraw/zinc/87/62/80/608876280.db2.gz FBRIHHVJZFPIHY-VURMDHGXSA-N -1 3 351.322 2.680 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc(-c4nn[n-]n4)cc3F)n2)c1 ZINC000826386540 609167142 /nfs/dbraw/zinc/16/71/42/609167142.db2.gz JEIGDRTTWHUXMK-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823856758 609291035 /nfs/dbraw/zinc/29/10/35/609291035.db2.gz XNPXASSNZNWVPS-UHFFFAOYSA-N -1 3 371.759 2.924 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823856758 609291037 /nfs/dbraw/zinc/29/10/37/609291037.db2.gz XNPXASSNZNWVPS-UHFFFAOYSA-N -1 3 371.759 2.924 20 30 FFEDHM C#CCOc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000823856074 609299791 /nfs/dbraw/zinc/29/97/91/609299791.db2.gz HCPKQVAGTUMLDS-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C#CCOc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000823856074 609299793 /nfs/dbraw/zinc/29/97/93/609299793.db2.gz HCPKQVAGTUMLDS-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401464 609310153 /nfs/dbraw/zinc/31/01/53/609310153.db2.gz ZRGVIISLOZZAMZ-UTCJRWHESA-N -1 3 357.276 2.949 20 30 FFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401464 609310155 /nfs/dbraw/zinc/31/01/55/609310155.db2.gz ZRGVIISLOZZAMZ-UTCJRWHESA-N -1 3 357.276 2.949 20 30 FFEDHM Cc1c(Cl)cnc(NCc2ccc(OCC#N)cc2)c1-c1nnn[n-]1 ZINC000826240429 609547125 /nfs/dbraw/zinc/54/71/25/609547125.db2.gz SBOBBGWYKHTEMQ-UHFFFAOYSA-N -1 3 355.789 2.738 20 30 FFEDHM Cc1c(Cl)cnc(NCc2ccc(OCC#N)cc2)c1-c1nn[n-]n1 ZINC000826240429 609547127 /nfs/dbraw/zinc/54/71/27/609547127.db2.gz SBOBBGWYKHTEMQ-UHFFFAOYSA-N -1 3 355.789 2.738 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823894302 609548622 /nfs/dbraw/zinc/54/86/22/609548622.db2.gz MVTSEGFURKNXPX-UHFFFAOYSA-N -1 3 369.878 2.887 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823894302 609548625 /nfs/dbraw/zinc/54/86/25/609548625.db2.gz MVTSEGFURKNXPX-UHFFFAOYSA-N -1 3 369.878 2.887 20 30 FFEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000743449022 735298537 /nfs/dbraw/zinc/29/85/37/735298537.db2.gz KRTIOFSQJQVQTN-UHFFFAOYSA-N -1 3 361.423 2.871 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C)cc2)ccc1F ZINC000029006293 727889331 /nfs/dbraw/zinc/88/93/31/727889331.db2.gz MVRYCVCJHJWULB-UHFFFAOYSA-N -1 3 362.426 2.528 20 30 FFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(Cl)cc2)cc1 ZINC000746491521 735487661 /nfs/dbraw/zinc/48/76/61/735487661.db2.gz IJTVGICQQQPWGT-UHFFFAOYSA-N -1 3 353.787 2.702 20 30 FFEDHM C#CCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000070984821 728207471 /nfs/dbraw/zinc/20/74/71/728207471.db2.gz XTEFRIPVZKMGIP-UHFFFAOYSA-N -1 3 367.062 2.513 20 30 FFEDHM C=CCCO[N-]C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000856032425 730300041 /nfs/dbraw/zinc/30/00/41/730300041.db2.gz OCAFUOXXJVJSLP-HNNXBMFYSA-N -1 3 363.483 2.562 20 30 FFEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCCC1CCCCC1 ZINC000857757251 730409218 /nfs/dbraw/zinc/40/92/18/730409218.db2.gz DRSGQAFLUBCLOR-UHFFFAOYSA-N -1 3 364.467 2.629 20 30 FFEDHM C=CC[C@H](C)OC(=O)[C@@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000860905265 730558137 /nfs/dbraw/zinc/55/81/37/730558137.db2.gz LEFQWCFSVXILMM-DZGCQCFKSA-N -1 3 364.467 2.792 20 30 FFEDHM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000647542239 730749068 /nfs/dbraw/zinc/74/90/68/730749068.db2.gz RUMZABMPKXNFCI-UHFFFAOYSA-N -1 3 360.410 2.722 20 30 FFEDHM COC(=O)[C@H](C[C@@H]1CCCOC1)/N=C/c1cc(Br)ccc1[O-] ZINC000864346246 730840629 /nfs/dbraw/zinc/84/06/29/730840629.db2.gz RGDJIZJWXDVPGE-FHKCDVKUSA-N -1 3 370.243 2.932 20 30 FFEDHM COC(=O)[C@H](C[C@H]1CCCOC1)/N=C/c1cc(Br)ccc1[O-] ZINC000864346249 730840653 /nfs/dbraw/zinc/84/06/53/730840653.db2.gz RGDJIZJWXDVPGE-SWZCFBIASA-N -1 3 370.243 2.932 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1ccc(C)o1 ZINC000867066631 731139342 /nfs/dbraw/zinc/13/93/42/731139342.db2.gz YIPIEYPLCOLXKR-OAHLLOKOSA-N -1 3 352.387 2.655 20 30 FFEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)C(=O)OCC ZINC000867588594 731203393 /nfs/dbraw/zinc/20/33/93/731203393.db2.gz FNIKSLKCEUHPTR-WPRPVWTQSA-N -1 3 365.801 2.569 20 30 FFEDHM C[C@@H](CC#N)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871315723 731618683 /nfs/dbraw/zinc/61/86/83/731618683.db2.gz IGHZQMHSBDRRRX-RYUDHWBXSA-N -1 3 353.344 2.735 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000657036550 731709351 /nfs/dbraw/zinc/70/93/51/731709351.db2.gz JOXQAFWMTOBKOQ-PWSUYJOCSA-N -1 3 354.403 2.673 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H]1C=CCC1 ZINC000780587075 738559382 /nfs/dbraw/zinc/55/93/82/738559382.db2.gz SRYLFVWGVRSCKW-HIFRSBDPSA-N -1 3 362.451 2.546 20 30 FFEDHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc(C#N)cn2)s1 ZINC000780887440 738585673 /nfs/dbraw/zinc/58/56/73/738585673.db2.gz JROUGQPNBPQCEP-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM CCCC[C@H](CCC)OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000730292499 734625834 /nfs/dbraw/zinc/62/58/34/734625834.db2.gz HCWKTFZXEKPIMX-ZDUSSCGKSA-N -1 3 352.456 2.627 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730363820 734633814 /nfs/dbraw/zinc/63/38/14/734633814.db2.gz DSXIBKZZENXPLH-LLVKDONJSA-N -1 3 368.227 2.901 20 30 FFEDHM C=CCCCCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000783902600 738847305 /nfs/dbraw/zinc/84/73/05/738847305.db2.gz IAXQWRKDRFRHPF-CQSZACIVSA-N -1 3 364.467 2.793 20 30 FFEDHM Cc1nnc2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)cn12 ZINC000733679340 734842225 /nfs/dbraw/zinc/84/22/25/734842225.db2.gz YFNNANCAJJNBTO-LBPRGKRZSA-N -1 3 353.769 2.652 20 30 FFEDHM O=C1[C@H](NCc2cccc(Br)c2OC(F)F)CCCN1[O-] ZINC000895163024 734970086 /nfs/dbraw/zinc/97/00/86/734970086.db2.gz PMCNEMHRBAAQPK-SNVBAGLBSA-N -1 3 365.174 2.520 20 30 FFEDHM O=C1C=COC2(CCN(Cc3ccc(Br)cc3[O-])CC2)C1 ZINC000897599426 735253280 /nfs/dbraw/zinc/25/32/80/735253280.db2.gz KMIJSRVDJHYBDR-UHFFFAOYSA-N -1 3 352.228 2.992 20 30 FFEDHM CCOc1ccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1CO ZINC000901609234 735803415 /nfs/dbraw/zinc/80/34/15/735803415.db2.gz GRMDHJOUFLJKSW-UHFFFAOYSA-N -1 3 360.435 2.835 20 30 FFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000751597216 735897637 /nfs/dbraw/zinc/89/76/37/735897637.db2.gz SWLIHMNGQUIHMZ-QMMMGPOBSA-N -1 3 365.238 2.751 20 30 FFEDHM COc1cc(C=CC(=O)C2=C(C)N=C3N=NNN3[C@@H]2C)cc(Cl)c1[O-] ZINC000752881517 736020193 /nfs/dbraw/zinc/02/01/93/736020193.db2.gz KZPIUYFFBCVOCJ-XNPJLODASA-N -1 3 361.789 2.856 20 30 FFEDHM COc1nccnc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000792939116 739720502 /nfs/dbraw/zinc/72/05/02/739720502.db2.gz FCXPTQBAHAYTBL-UHFFFAOYSA-N -1 3 358.452 2.540 20 30 FFEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cnn2cccnc12 ZINC000755590539 736263307 /nfs/dbraw/zinc/26/33/07/736263307.db2.gz NJSAPIVTASNACR-UHFFFAOYSA-N -1 3 367.463 2.784 20 30 FFEDHM O=c1c2cc(Br)ccc2ncn1N=Cc1cc(F)ccc1[O-] ZINC000755626771 736266242 /nfs/dbraw/zinc/26/62/42/736266242.db2.gz CVPMYEJFNJLHMO-UHFFFAOYSA-N -1 3 362.158 2.886 20 30 FFEDHM CCc1nc2c(s1)C(=N[N-]S(=O)(=O)CCc1ccccc1)CCC2 ZINC000756830148 736365025 /nfs/dbraw/zinc/36/50/25/736365025.db2.gz XVCRRNMTGMMORE-UHFFFAOYSA-N -1 3 363.508 2.908 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(CC)C2)ccc1F ZINC000758666979 736511744 /nfs/dbraw/zinc/51/17/44/736511744.db2.gz RUNVBFCEZOFZKN-QGZVFWFLSA-N -1 3 354.447 2.552 20 30 FFEDHM C#CCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797448192 740247329 /nfs/dbraw/zinc/24/73/29/740247329.db2.gz PFXGOCUPJHKYTO-UHFFFAOYSA-N -1 3 368.705 2.747 20 30 FFEDHM CC(C)(C)c1coc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)n1 ZINC000907951610 736694343 /nfs/dbraw/zinc/69/43/43/736694343.db2.gz DKIIRIQWZHQSGD-UHFFFAOYSA-N -1 3 351.403 2.602 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCC#C[Si](C)(C)C ZINC000912333735 737292778 /nfs/dbraw/zinc/29/27/78/737292778.db2.gz TXTRJRHWOHFNQE-UHFFFAOYSA-N -1 3 356.502 2.552 20 30 FFEDHM COc1cc(C=NNc2ccnc(Br)c2)c([N+](=O)[O-])cc1[O-] ZINC000769802430 737568310 /nfs/dbraw/zinc/56/83/10/737568310.db2.gz HWJPTYBORZTPGP-UHFFFAOYSA-N -1 3 367.159 2.913 20 30 FFEDHM C[C@H](C#N)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000770948743 737678648 /nfs/dbraw/zinc/67/86/48/737678648.db2.gz GOUFNUZQCIFQLA-GFCCVEGCSA-N -1 3 362.382 2.943 20 30 FFEDHM CCOc1cc(C=NNc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1[O-] ZINC000916240353 737688915 /nfs/dbraw/zinc/68/89/15/737688915.db2.gz GPGPXWXIVLCSDJ-UHFFFAOYSA-N -1 3 369.830 2.538 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1C ZINC000917520859 737762200 /nfs/dbraw/zinc/76/22/00/737762200.db2.gz WNSIKLQUJIEBBV-SNVBAGLBSA-N -1 3 351.193 2.997 20 30 FFEDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C(C)(C)Cc1ccc(C#N)cc1 ZINC000921450065 737986353 /nfs/dbraw/zinc/98/63/53/737986353.db2.gz RJSQFAHMGWSUAN-UHFFFAOYSA-N -1 3 366.874 2.553 20 30 FFEDHM Cc1nc(C)c(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)o1 ZINC000792927597 739719521 /nfs/dbraw/zinc/71/95/21/739719521.db2.gz XYQFSHPAADQONA-CQSZACIVSA-N -1 3 357.395 2.566 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(Br)cn2)c1[O-] ZINC000794835553 739934250 /nfs/dbraw/zinc/93/42/50/739934250.db2.gz XQACBLAFZMOOCP-OQTYBLBQSA-N -1 3 350.216 2.926 20 30 FFEDHM CC(C)(C#N)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000796039814 740094860 /nfs/dbraw/zinc/09/48/60/740094860.db2.gz KLMQIIDAMTXJDV-UHFFFAOYSA-N -1 3 356.403 2.663 20 30 FFEDHM C#C[C@@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000796792395 740183972 /nfs/dbraw/zinc/18/39/72/740183972.db2.gz WHSRHAJVQWJDHH-CYBMUJFWSA-N -1 3 361.341 2.646 20 30 FFEDHM C#CCC[C@H](O)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000798485288 740337462 /nfs/dbraw/zinc/33/74/62/740337462.db2.gz CEHBKXARIJJLKN-ZDUSSCGKSA-N -1 3 370.883 2.516 20 30 FFEDHM C=C[C@H](OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)(C)C ZINC000798906501 740373320 /nfs/dbraw/zinc/37/33/20/740373320.db2.gz LWRQZJVQWRIUOA-WFASDCNBSA-N -1 3 364.467 2.648 20 30 FFEDHM Cc1ncc(CO)c(C=NNc2ccc(C#N)cc2C(F)(F)F)c1[O-] ZINC000799491061 740423084 /nfs/dbraw/zinc/42/30/84/740423084.db2.gz APHGKJGSNUZOSS-UHFFFAOYSA-N -1 3 350.300 2.924 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(C)(C)CCC#N)c1 ZINC000805137050 740944515 /nfs/dbraw/zinc/94/45/15/740944515.db2.gz LBIWIRQMXNZHNO-UHFFFAOYSA-N -1 3 356.419 2.611 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000811187498 741491993 /nfs/dbraw/zinc/49/19/93/741491993.db2.gz HUHWECQQCXWXIS-LLVKDONJSA-N -1 3 358.781 2.779 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000811188830 741492093 /nfs/dbraw/zinc/49/20/93/741492093.db2.gz ZLYKMSNRYKFWBO-MRXNPFEDSA-N -1 3 356.765 2.880 20 30 FFEDHM N#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000815834888 741964492 /nfs/dbraw/zinc/96/44/92/741964492.db2.gz DSBBUYFOINBHIR-CQSZACIVSA-N -1 3 359.813 2.905 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000816692968 742053379 /nfs/dbraw/zinc/05/33/79/742053379.db2.gz ZIIITHPLFGBAFW-JTQLQIEISA-N -1 3 371.340 2.549 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823903787 742998485 /nfs/dbraw/zinc/99/84/85/742998485.db2.gz KUVYYWWTZDUKNC-UHFFFAOYSA-N -1 3 357.801 2.984 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823903787 742998487 /nfs/dbraw/zinc/99/84/87/742998487.db2.gz KUVYYWWTZDUKNC-UHFFFAOYSA-N -1 3 357.801 2.984 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1c1ncc(C#N)cc1Cl ZINC001050047588 743492660 /nfs/dbraw/zinc/49/26/60/743492660.db2.gz QJOFCMNVJZXJOP-ABAIWWIYSA-N -1 3 356.813 2.709 20 30 FFEDHM COCCOC1(C/N=C/c2cc(Br)ccc2[O-])CCOCC1 ZINC000840707865 747163911 /nfs/dbraw/zinc/16/39/11/747163911.db2.gz SNJAYPMGUHCQTC-WOJGMQOQSA-N -1 3 372.259 2.786 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000846544444 748499856 /nfs/dbraw/zinc/49/98/56/748499856.db2.gz GXSYOPIDYIRZDL-PRWKNARSSA-N -1 3 360.273 2.959 20 30 FFEDHM CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135654 748851275 /nfs/dbraw/zinc/85/12/75/748851275.db2.gz GWLOFCUTXRYENJ-JSGCOSHPSA-N -1 3 369.259 2.514 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000849412317 749139917 /nfs/dbraw/zinc/13/99/17/749139917.db2.gz KXFNXBXKDFDFNY-VXGBXAGGSA-N -1 3 372.874 2.935 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823894467 946504178 /nfs/dbraw/zinc/50/41/78/946504178.db2.gz QQJBJGASMKTAIN-CQSZACIVSA-N -1 3 370.457 2.837 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823894467 946504181 /nfs/dbraw/zinc/50/41/81/946504181.db2.gz QQJBJGASMKTAIN-CQSZACIVSA-N -1 3 370.457 2.837 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823903887 946513451 /nfs/dbraw/zinc/51/34/51/946513451.db2.gz MZLDGHJIFUXILU-UHFFFAOYSA-N -1 3 370.388 2.539 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823903887 946513457 /nfs/dbraw/zinc/51/34/57/946513457.db2.gz MZLDGHJIFUXILU-UHFFFAOYSA-N -1 3 370.388 2.539 20 30 FFEDHM C#CCOc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC001573288226 946862630 /nfs/dbraw/zinc/86/26/30/946862630.db2.gz IZKCDWUGXGBPEN-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM C#CCOc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC001573288226 946862644 /nfs/dbraw/zinc/86/26/44/946862644.db2.gz IZKCDWUGXGBPEN-UHFFFAOYSA-N -1 3 362.393 2.509 20 30 FFEDHM C#Cc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2Br)c1 ZINC001573289720 946891322 /nfs/dbraw/zinc/89/13/22/946891322.db2.gz CECMHKLIIQFHNW-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM C#Cc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2Br)c1 ZINC001573289720 946891328 /nfs/dbraw/zinc/89/13/28/946891328.db2.gz CECMHKLIIQFHNW-UHFFFAOYSA-N -1 3 368.194 2.863 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000825039552 947057811 /nfs/dbraw/zinc/05/78/11/947057811.db2.gz TXPMQHDYUXANPQ-AWEZNQCLSA-N -1 3 374.408 2.807 20 30 FFEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000825039552 947057824 /nfs/dbraw/zinc/05/78/24/947057824.db2.gz TXPMQHDYUXANPQ-AWEZNQCLSA-N -1 3 374.408 2.807 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001573325792 947361661 /nfs/dbraw/zinc/36/16/61/947361661.db2.gz GZFDVCXEBOJBDL-HNNXBMFYSA-N -1 3 351.385 2.923 20 30 FFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001573325792 947361675 /nfs/dbraw/zinc/36/16/75/947361675.db2.gz GZFDVCXEBOJBDL-HNNXBMFYSA-N -1 3 351.385 2.923 20 30 FFEDHM C=CCC1(C(=O)NCCCNc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001573325941 947364900 /nfs/dbraw/zinc/36/49/00/947364900.db2.gz IKQSIHHSMRMENY-UHFFFAOYSA-N -1 3 369.473 2.707 20 30 FFEDHM C=CCC1(C(=O)NCCCNc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001573325941 947364907 /nfs/dbraw/zinc/36/49/07/947364907.db2.gz IKQSIHHSMRMENY-UHFFFAOYSA-N -1 3 369.473 2.707 20 30 FFEDHM C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573329634 947423150 /nfs/dbraw/zinc/42/31/50/947423150.db2.gz MLVBBDWRYCFBGY-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573329634 947423156 /nfs/dbraw/zinc/42/31/56/947423156.db2.gz MLVBBDWRYCFBGY-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)=Cc1cccnc1 ZINC001573341118 947526477 /nfs/dbraw/zinc/52/64/77/947526477.db2.gz HQAIILHKZIFCJJ-RVDMUPIBSA-N -1 3 360.421 2.880 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)=Cc1cccnc1 ZINC001573341118 947526487 /nfs/dbraw/zinc/52/64/87/947526487.db2.gz HQAIILHKZIFCJJ-RVDMUPIBSA-N -1 3 360.421 2.880 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCOc1ccccc1C#N ZINC000826167833 947527766 /nfs/dbraw/zinc/52/77/66/947527766.db2.gz SHVCFMIGTVHFAG-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCCOc1ccccc1C#N ZINC000826167833 947527772 /nfs/dbraw/zinc/52/77/72/947527772.db2.gz SHVCFMIGTVHFAG-UHFFFAOYSA-N -1 3 371.784 2.858 20 30 FFEDHM C=CCOCCCNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001573348985 947590196 /nfs/dbraw/zinc/59/01/96/947590196.db2.gz XOBJAIGWJAQSNR-UHFFFAOYSA-N -1 3 367.457 2.797 20 30 FFEDHM C=CCOCCCNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001573348985 947590201 /nfs/dbraw/zinc/59/02/01/947590201.db2.gz XOBJAIGWJAQSNR-UHFFFAOYSA-N -1 3 367.457 2.797 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3c(F)cc(-c4nnn[n-]4)cc3F)CCO2)c1 ZINC000826386857 948190573 /nfs/dbraw/zinc/19/05/73/948190573.db2.gz VMMXWFGBKQJXQL-MRXNPFEDSA-N -1 3 368.347 2.594 20 30 FFEDHM N#Cc1cccc([C@H]2CN(c3c(F)cc(-c4nn[n-]n4)cc3F)CCO2)c1 ZINC000826386857 948190578 /nfs/dbraw/zinc/19/05/78/948190578.db2.gz VMMXWFGBKQJXQL-MRXNPFEDSA-N -1 3 368.347 2.594 20 30 FFEDHM N#Cc1ncn(CC(=O)c2ccc(C3CCCCC3)cc2)c1-c1nnn[n-]1 ZINC000826388100 948192654 /nfs/dbraw/zinc/19/26/54/948192654.db2.gz IMWXBTIRPZLWFB-UHFFFAOYSA-N -1 3 361.409 2.865 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475850 948377375 /nfs/dbraw/zinc/37/73/75/948377375.db2.gz SQUILIDYBXSEMQ-VZUCSPMQSA-N -1 3 367.296 2.573 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475850 948377382 /nfs/dbraw/zinc/37/73/82/948377382.db2.gz SQUILIDYBXSEMQ-VZUCSPMQSA-N -1 3 367.296 2.573 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC(C)C)c2)cc1 ZINC000759836577 971789405 /nfs/dbraw/zinc/78/94/05/971789405.db2.gz YGVNERZBEXWCAH-MRXNPFEDSA-N -1 3 353.378 2.839 20 30 FFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(CN4CCOCC4)o3)nc21 ZINC000892706316 970165304 /nfs/dbraw/zinc/16/53/04/970165304.db2.gz USRDWTVUTNTQIO-OAHLLOKOSA-N -1 3 364.405 2.787 20 30 FFEDHM CCNC([S-])=C(C([O-])=C1C=CC(=NC(N)=O)C=C1)[n+]1ccccc1CC ZINC001116035203 1032080592 /nfs/dbraw/zinc/08/05/92/1032080592.db2.gz BFZRKDFOKNLJMV-UHFFFAOYSA-O -1 3 371.486 2.660 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000976293670 974024837 /nfs/dbraw/zinc/02/48/37/974024837.db2.gz IIJKDTLEOISDLX-MTNOOBJLSA-N -1 3 372.465 2.531 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)c1[O-] ZINC000899232920 977028412 /nfs/dbraw/zinc/02/84/12/977028412.db2.gz XPXZZXAFEJQTPI-DYMCBANXSA-N -1 3 361.442 2.547 20 30 FFEDHM C#CCN1CC2(CCC1=O)CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC001271914223 979267201 /nfs/dbraw/zinc/26/72/01/979267201.db2.gz BGUOJQHHDWRSLX-UHFFFAOYSA-N -1 3 360.841 2.524 20 30 FFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC001271915374 979268754 /nfs/dbraw/zinc/26/87/54/979268754.db2.gz OWHWJIUZWBHIDF-HNNXBMFYSA-N -1 3 362.857 2.980 20 30 FFEDHM O=C([C@@H]1CCCC(F)(F)C1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904185438 980204654 /nfs/dbraw/zinc/20/46/54/980204654.db2.gz BXZXSDVCWQVIKW-GFCCVEGCSA-N -1 3 366.364 2.716 20 30 FFEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000666587506 981013218 /nfs/dbraw/zinc/01/32/18/981013218.db2.gz JBTSQHHHOJKEDN-QGZVFWFLSA-N -1 3 368.437 2.821 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908809227 981542031 /nfs/dbraw/zinc/54/20/31/981542031.db2.gz RQDMLGDLBQNVMH-QGZVFWFLSA-N -1 3 359.470 2.542 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2[n-]nc3cc(C)n(CC)c(=O)c32)cc1 ZINC000898026702 982594848 /nfs/dbraw/zinc/59/48/48/982594848.db2.gz FYJFOCHNOIRSOY-UHFFFAOYSA-N -1 3 364.405 2.707 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(Cc3nnc(-c4ccccc4[O-])o3)CCO2)c1 ZINC000878323218 1014985712 /nfs/dbraw/zinc/98/57/12/1014985712.db2.gz YFMPZVYGPFMPRM-SFHVURJKSA-N -1 3 362.389 2.887 20 30 FFEDHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccccc1C#N ZINC000913298456 984228119 /nfs/dbraw/zinc/22/81/19/984228119.db2.gz MFGMXVXQKAZCOC-NSHDSACASA-N -1 3 350.334 2.725 20 30 FFEDHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccccc1C#N ZINC000913298456 984228125 /nfs/dbraw/zinc/22/81/25/984228125.db2.gz MFGMXVXQKAZCOC-NSHDSACASA-N -1 3 350.334 2.725 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000156577916 984344806 /nfs/dbraw/zinc/34/48/06/984344806.db2.gz VDJYJHRTHLGGRS-FHLIZLRMSA-N -1 3 358.438 2.543 20 30 FFEDHM C[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@]1(C)C(=O)[O-] ZINC001599927214 985221769 /nfs/dbraw/zinc/22/17/69/985221769.db2.gz DJEMLWPCUFBLHJ-XOBRGWDASA-N -1 3 353.422 2.780 20 30 FFEDHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878924720 1015283911 /nfs/dbraw/zinc/28/39/11/1015283911.db2.gz RSXCCCLWTVULCR-RHSMWYFYSA-N -1 3 360.458 2.876 20 30 FFEDHM Cc1ncc(CO)c(C=Nc2cccc(NC(=O)c3ccncc3)c2)c1[O-] ZINC000914701448 987862893 /nfs/dbraw/zinc/86/28/93/987862893.db2.gz IOXCBLMCQGITRT-UHFFFAOYSA-N -1 3 362.389 2.986 20 30 FFEDHM N#Cc1ccc2c(c1)N(C(=O)c1cnc3c(F)cc(F)cc3c1[O-])CC2 ZINC000762504624 988420136 /nfs/dbraw/zinc/42/01/36/988420136.db2.gz UWHJUSNUOVGRBN-UHFFFAOYSA-N -1 3 351.312 2.881 20 30 FFEDHM Cc1[n-]n2c(nc3ccccc3c2=O)c1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000918707973 990477112 /nfs/dbraw/zinc/47/71/12/990477112.db2.gz GSQMIDWRMGKAKF-UHFFFAOYSA-N -1 3 357.377 2.807 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(F)c(NC(C)=O)c1 ZINC000920110577 990795592 /nfs/dbraw/zinc/79/55/92/990795592.db2.gz SCUDJIQTEPHLLI-ZDUSSCGKSA-N -1 3 369.352 2.754 20 30 FFEDHM CCCC(C)=CC([O-])=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000920323241 990834587 /nfs/dbraw/zinc/83/45/87/990834587.db2.gz HAUKCCMSYZVVAR-SEVUFMINSA-N -1 3 373.365 2.760 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(N3CCOCC3)cc2)c1[O-] ZINC000920864049 990922496 /nfs/dbraw/zinc/92/24/96/990922496.db2.gz JOPNFNSIOSVTRI-OFJBCHTGSA-N -1 3 355.438 2.605 20 30 FFEDHM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001598498751 992400653 /nfs/dbraw/zinc/40/06/53/992400653.db2.gz MGUFYNQJFBOYCI-JRMCHAMMSA-N -1 3 366.417 2.700 20 30 FFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(N2CCOC2=O)c1 ZINC001593194232 994132068 /nfs/dbraw/zinc/13/20/68/994132068.db2.gz BRCXSVBPWIZVIJ-UGSOOPFHSA-N -1 3 365.389 2.991 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCN1CCc2ccccc21 ZINC000811027039 995006715 /nfs/dbraw/zinc/00/67/15/995006715.db2.gz NFFGDTFHBAGRGB-UHFFFAOYSA-N -1 3 365.433 2.814 20 30 FFEDHM COc1ccc(-c2nnc(COC(=O)c3cc([O-])cc(C#N)c3)o2)cc1 ZINC000811188076 995051926 /nfs/dbraw/zinc/05/19/26/995051926.db2.gz UTPOAEHDZOYYNH-UHFFFAOYSA-N -1 3 351.318 2.679 20 30 FFEDHM C#CCCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000825304639 997304083 /nfs/dbraw/zinc/30/40/83/997304083.db2.gz FHBCAXLVWVZZFT-UHFFFAOYSA-N -1 3 351.406 2.782 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H](O)c2ccccc2C)c(C)c1[O-] ZINC001144532717 998635198 /nfs/dbraw/zinc/63/51/98/998635198.db2.gz VGXKUKHQQNVXIL-SFHVURJKSA-N -1 3 368.389 2.730 20 30 FFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)c2cncc([O-])c2)c1 ZINC000732393593 998651504 /nfs/dbraw/zinc/65/15/04/998651504.db2.gz BADOLUIHCKEXBZ-OAHLLOKOSA-N -1 3 367.405 2.896 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(OCC#N)cc1 ZINC000733422739 998981653 /nfs/dbraw/zinc/98/16/53/998981653.db2.gz WVZIOWQZPHETTP-UHFFFAOYSA-N -1 3 365.389 2.854 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1COc2ccccc2O1 ZINC000742734233 999785370 /nfs/dbraw/zinc/78/53/70/999785370.db2.gz XVZUPJCRVDPOAQ-AWEZNQCLSA-N -1 3 368.389 2.592 20 30 FFEDHM Cc1cccc2nc(C(C#N)=C([O-])C3=NN(CC(C)C)C(=O)CC3)[nH]c21 ZINC000766872029 1000084395 /nfs/dbraw/zinc/08/43/95/1000084395.db2.gz QSTWNDJIPWJPFO-ZDUSSCGKSA-N -1 3 351.410 2.682 20 30 FFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000846549390 1000350060 /nfs/dbraw/zinc/35/00/60/1000350060.db2.gz JWVDZINZYQUCRH-QWHCGFSZSA-N -1 3 368.380 2.763 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1c(C)cc(Cl)nc1Cl ZINC001147903939 1001005375 /nfs/dbraw/zinc/00/53/75/1001005375.db2.gz RJQLYBFRERRYNQ-UHFFFAOYSA-N -1 3 354.153 2.632 20 30 FFEDHM COC(=O)Nc1ccc(C(=O)OCc2cc(C#N)ccc2OC)cc1[O-] ZINC000772278687 1001357452 /nfs/dbraw/zinc/35/74/52/1001357452.db2.gz ITCWAEXBSMHXEA-UHFFFAOYSA-N -1 3 356.334 2.808 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787848043 1001723692 /nfs/dbraw/zinc/72/36/92/1001723692.db2.gz KHIWAPBYBDHENM-DJJJIMSYSA-N -1 3 364.417 2.840 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncc(Br)cc1C(F)(F)F ZINC001171365836 1001771895 /nfs/dbraw/zinc/77/18/95/1001771895.db2.gz KTNBDKRRLDWBKF-XNCJUZBTSA-N -1 3 354.126 2.511 20 30 FFEDHM COC(=O)[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccsc1 ZINC000788903276 1001914247 /nfs/dbraw/zinc/91/42/47/1001914247.db2.gz HDDJGZRRVYOINZ-MRXNPFEDSA-N -1 3 374.418 2.727 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc2c(c(OCc3ccccc3)c1)OCO2 ZINC001171368506 1001941120 /nfs/dbraw/zinc/94/11/20/1001941120.db2.gz GSLRIZYSHWBAPX-SJCJKPOMSA-N -1 3 356.378 2.642 20 30 FFEDHM C=CCOc1ccccc1[C@H](C)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182974044 1002125512 /nfs/dbraw/zinc/12/55/12/1002125512.db2.gz DMVAGNPMBWDRLT-AWEZNQCLSA-N -1 3 354.406 2.564 20 30 FFEDHM C[C@@H]1CCN(Cc2cc(C#N)ccc2N(C)C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001183075851 1002139827 /nfs/dbraw/zinc/13/98/27/1002139827.db2.gz ZKCJOPOFQQVEMU-DOMZBBRYSA-N -1 3 368.403 2.513 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792533405 1003022965 /nfs/dbraw/zinc/02/29/65/1003022965.db2.gz ZEZKDUGZIVMDRB-UHFFFAOYSA-N -1 3 374.462 2.982 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OCC3CC3)cn2)cc1 ZINC000793122483 1003277460 /nfs/dbraw/zinc/27/74/60/1003277460.db2.gz CHKGWBVPWXLRKW-INIZCTEOSA-N -1 3 364.405 2.789 20 30 FFEDHM C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)cc1 ZINC001001427873 1016801663 /nfs/dbraw/zinc/80/16/63/1016801663.db2.gz WCDISEUBLZFNES-QRQLOZEOSA-N -1 3 360.413 2.549 20 30 FFEDHM Cc1ccc(Br)c(C[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC001191433002 1003825668 /nfs/dbraw/zinc/82/56/68/1003825668.db2.gz YZCPWXHMBCVZAG-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM CC(C)n1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1=O ZINC001196711433 1003923338 /nfs/dbraw/zinc/92/33/38/1003923338.db2.gz NGQNVOGKFPEOKU-UHFFFAOYSA-N -1 3 351.815 2.755 20 30 FFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCOCC3)cc2)cc1 ZINC001193160923 1004394305 /nfs/dbraw/zinc/39/43/05/1004394305.db2.gz KTYCOTDWAJUPAC-HNNXBMFYSA-N -1 3 371.462 2.844 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnc(F)cc2C)c(C)c1[O-] ZINC001193630750 1004529500 /nfs/dbraw/zinc/52/95/00/1004529500.db2.gz CJISAGHJJONEKJ-UHFFFAOYSA-N -1 3 357.341 2.844 20 30 FFEDHM C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc([O-])cc2C(F)(F)F)C1 ZINC001193745945 1004573651 /nfs/dbraw/zinc/57/36/51/1004573651.db2.gz NWMRRYJHQWXKIX-LLVKDONJSA-N -1 3 372.343 2.928 20 30 FFEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2N)c(F)c1 ZINC001193923689 1004617056 /nfs/dbraw/zinc/61/70/56/1004617056.db2.gz GIMXZHJYXONHGM-UHFFFAOYSA-N -1 3 350.371 2.552 20 30 FFEDHM C=C1CC(C(=O)N2C[C@H]3C[C@@]3(C(=O)Nc3nc4c(cccc4[O-])s3)C2)C1 ZINC001273768465 1004663801 /nfs/dbraw/zinc/66/38/01/1004663801.db2.gz OARYWNTVTNSGJH-CWTRNNRKSA-N -1 3 369.446 2.755 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cnccc1OC1CCC1 ZINC001198867474 1004766381 /nfs/dbraw/zinc/76/63/81/1004766381.db2.gz XVSRMBPKPQVAQH-UHFFFAOYSA-N -1 3 357.391 2.985 20 30 FFEDHM N#Cc1cnc(NC(=O)c2cnc(C(F)(F)F)[n-]2)c(Br)c1 ZINC001194770920 1004815423 /nfs/dbraw/zinc/81/54/23/1004815423.db2.gz UDHKOMXDNDBOGC-UHFFFAOYSA-N -1 3 360.093 2.710 20 30 FFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000102119425 1005022036 /nfs/dbraw/zinc/02/20/36/1005022036.db2.gz QNJURXRFACVGPO-CQSZACIVSA-N -1 3 353.334 2.873 20 30 FFEDHM CC(C)(C)n1nnc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)n1 ZINC000850759899 1005837265 /nfs/dbraw/zinc/83/72/65/1005837265.db2.gz OMNUMUVECDZVAY-AWEZNQCLSA-N -1 3 362.393 2.542 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001188027193 1006384886 /nfs/dbraw/zinc/38/48/86/1006384886.db2.gz DKFTYHKOMHRPEN-QGZVFWFLSA-N -1 3 357.472 2.556 20 30 FFEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC001134718938 1006452090 /nfs/dbraw/zinc/45/20/90/1006452090.db2.gz YUWPQOCRKDMHDU-CQSZACIVSA-N -1 3 366.458 2.530 20 30 FFEDHM CCO[C@@H]1C[C@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C12CCC2 ZINC000130227923 1006522574 /nfs/dbraw/zinc/52/25/74/1006522574.db2.gz GEBQPOMFJUKIHE-SJORKVTESA-N -1 3 358.438 2.687 20 30 FFEDHM Cc1ccc(Oc2ccc(OCC(=O)N[C@@H]3CCCN([O-])C3=O)cc2)cc1 ZINC000816757373 1007192519 /nfs/dbraw/zinc/19/25/19/1007192519.db2.gz QYHKYUOJVGFHRJ-GOSISDBHSA-N -1 3 370.405 2.663 20 30 FFEDHM COc1cccnc1[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C1CC1 ZINC001190677745 1007746595 /nfs/dbraw/zinc/74/65/95/1007746595.db2.gz VZSRXPLAPIPZJL-MRXNPFEDSA-N -1 3 361.398 2.531 20 30 FFEDHM N#Cc1ccnc(N2CCN(C(=O)c3cc4sccc4c([O-])c3)CC2)c1 ZINC001136041168 1007792244 /nfs/dbraw/zinc/79/22/44/1007792244.db2.gz RARFOIDCEPWVNU-UHFFFAOYSA-N -1 3 364.430 2.836 20 30 FFEDHM COc1nc(C)ccc1C(=O)NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001190811121 1007811584 /nfs/dbraw/zinc/81/15/84/1007811584.db2.gz SWFNDAAHIBQIHU-UHFFFAOYSA-N -1 3 369.299 2.863 20 30 FFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)n1[C@@H](C)c1ccccc1 ZINC000820481998 1008339671 /nfs/dbraw/zinc/33/96/71/1008339671.db2.gz CAQAQRKMWWMNOK-KBXCAEBGSA-N -1 3 355.438 2.824 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cc2ncccc2C)c(C)c1[O-] ZINC001177461412 1008611747 /nfs/dbraw/zinc/61/17/47/1008611747.db2.gz WZKLNPSWSDUSGN-UHFFFAOYSA-N -1 3 353.378 2.634 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(C2CCOCC2)n1 ZINC000860469989 1009017798 /nfs/dbraw/zinc/01/77/98/1009017798.db2.gz LYEPPNBMMMHCCF-ZDUSSCGKSA-N -1 3 372.812 2.849 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001179276559 1009308318 /nfs/dbraw/zinc/30/83/18/1009308318.db2.gz BGIZDRNTNDDEGL-YJYMSZOUSA-N -1 3 357.410 2.849 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(NC(C)=O)c(F)c1 ZINC000774052955 1010442621 /nfs/dbraw/zinc/44/26/21/1010442621.db2.gz NFNPTAYFHPRZBQ-CYBMUJFWSA-N -1 3 369.352 2.754 20 30 FFEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001274551675 1011505013 /nfs/dbraw/zinc/50/50/13/1011505013.db2.gz MRJXRTKLEVEVOH-ZIAGYGMSSA-N -1 3 368.355 2.803 20 30 FFEDHM C=CCN1CC[C@]2(CCCN(C(=O)c3cc(CC)ccc3[O-])CC2)C1=O ZINC001274786930 1011655723 /nfs/dbraw/zinc/65/57/23/1011655723.db2.gz OHRLYYLGLJKVAH-OAQYLSRUSA-N -1 3 356.466 2.985 20 30 FFEDHM Cc1nsc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C#N ZINC001275412987 1012437889 /nfs/dbraw/zinc/43/78/89/1012437889.db2.gz QYYOPKRWMJCDBT-UHFFFAOYSA-N -1 3 355.423 2.508 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000726322297 1020452825 /nfs/dbraw/zinc/45/28/25/1020452825.db2.gz UKBYLMYJUVPLCP-AWEZNQCLSA-N -1 3 369.333 2.573 20 30 FFEDHM C=CC[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC001119580008 1022872405 /nfs/dbraw/zinc/87/24/05/1022872405.db2.gz IMQXAJLWZATFOT-YOEHRIQHSA-N -1 3 370.371 2.587 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000076195084 1023247865 /nfs/dbraw/zinc/24/78/65/1023247865.db2.gz HXBCDXXPOAGWDZ-UKTHLTGXSA-N -1 3 355.300 2.883 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(F)(F)C[C@H]1C ZINC001122478370 1023294656 /nfs/dbraw/zinc/29/46/56/1023294656.db2.gz DYQMKVAVCGCMDD-LLVKDONJSA-N -1 3 350.373 2.641 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C(C[C@@H]1CCOC1)c1ccccc1 ZINC000753931214 1023401169 /nfs/dbraw/zinc/40/11/69/1023401169.db2.gz CKEYPFIHIUMAGK-SFHVURJKSA-N -1 3 372.490 2.979 20 30 FFEDHM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2C[C@H]2CCCO2)C1 ZINC001122812468 1023489130 /nfs/dbraw/zinc/48/91/30/1023489130.db2.gz ZQTCATQFFRPWMY-ZIAGYGMSSA-N -1 3 359.430 2.610 20 30 FFEDHM Cc1cc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c(C)n1C ZINC000754911418 1023537942 /nfs/dbraw/zinc/53/79/42/1023537942.db2.gz CQTLNRHLTKYKNP-INIZCTEOSA-N -1 3 369.450 2.917 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H](C)c1ccc(OC)cc1 ZINC001121532711 1023831915 /nfs/dbraw/zinc/83/19/15/1023831915.db2.gz HTRUELDZASRSEX-CYBMUJFWSA-N -1 3 366.425 2.833 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001121545396 1023839731 /nfs/dbraw/zinc/83/97/31/1023839731.db2.gz CVLHGVIPFCJPPH-CQSZACIVSA-N -1 3 367.409 2.827 20 30 FFEDHM CON=Cc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC000757938607 1023886963 /nfs/dbraw/zinc/88/69/63/1023886963.db2.gz VQLWEEJSOFUBIS-UHFFFAOYSA-N -1 3 352.350 2.582 20 30 FFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=Cc1cccnc1 ZINC000759236809 1024528582 /nfs/dbraw/zinc/52/85/82/1024528582.db2.gz IRQLREORMKNNSS-MVGZEHJDSA-N -1 3 365.389 2.808 20 30 FFEDHM C=C(C)CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001141204023 1025607104 /nfs/dbraw/zinc/60/71/04/1025607104.db2.gz KQDSQVGDVWGUQW-UHFFFAOYSA-N -1 3 351.403 2.651 20 30 FFEDHM CCOC(=O)c1cc2c(c(C(=O)NC3=CC(=O)CCC3)c1[O-])CCCC2 ZINC001153930962 1028075593 /nfs/dbraw/zinc/07/55/93/1028075593.db2.gz VEBDTYFIYVBFRV-UHFFFAOYSA-N -1 3 357.406 2.814 20 30 FFEDHM O=C1NCCc2cc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)ncc21 ZINC001163770141 1029054965 /nfs/dbraw/zinc/05/49/65/1029054965.db2.gz FLSUOSFEOKNBNE-UHFFFAOYSA-N -1 3 366.299 2.514 20 30 FFEDHM O=C1Cc2cnc(NC(=N[O-])c3ccc(OC(F)(F)F)cc3)cc2N1 ZINC001163765763 1029055897 /nfs/dbraw/zinc/05/58/97/1029055897.db2.gz XYKFADZRGLCQER-UHFFFAOYSA-N -1 3 352.272 2.723 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(OC2CCCC2)nc1 ZINC000781773402 1029396309 /nfs/dbraw/zinc/39/63/09/1029396309.db2.gz RIXCMOYJDHRWCI-OAHLLOKOSA-N -1 3 350.378 2.759 20 30 FFEDHM CCCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000798816472 1031554876 /nfs/dbraw/zinc/55/48/76/1031554876.db2.gz MNSKOCXFPKMJQH-MRXNPFEDSA-N -1 3 367.405 2.895 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3ccc[nH]c-3n2)c(C)c1[O-] ZINC001151546317 1031980344 /nfs/dbraw/zinc/98/03/44/1031980344.db2.gz ASWMDCYWLNTFET-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1([C@H]2CCCCO2)CCC1 ZINC000830187960 1033499317 /nfs/dbraw/zinc/49/93/17/1033499317.db2.gz RZXYUAJLZSGVJN-QGZVFWFLSA-N -1 3 357.454 2.816 20 30 FFEDHM COC(=O)[C@H](O/C(=N\[O-])c1ccccn1)c1cccc(Br)c1 ZINC001223975907 1033665208 /nfs/dbraw/zinc/66/52/08/1033665208.db2.gz IZAMDJZYISCXBA-JGTOSJCVSA-N -1 3 365.183 2.911 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1nc2c(s1)CCC2 ZINC000831121206 1033955655 /nfs/dbraw/zinc/95/56/55/1033955655.db2.gz NECZSQIKJQTPGY-UHFFFAOYSA-N -1 3 370.478 2.512 20 30 FFEDHM [O-]/N=C/c1cccc(O[C@H]2CCN(c3ncc(Br)cn3)C2)c1 ZINC001226115234 1034530834 /nfs/dbraw/zinc/53/08/34/1034530834.db2.gz ZEBFQSFUXYFSTJ-RJZHOQSWSA-N -1 3 363.215 2.705 20 30 FFEDHM [O-]/N=C/c1cccc(O[C@@H]2CCN(c3ncc(Br)cn3)C2)c1 ZINC001226115235 1034531204 /nfs/dbraw/zinc/53/12/04/1034531204.db2.gz ZEBFQSFUXYFSTJ-TZMAJHSYSA-N -1 3 363.215 2.705 20 30 FFEDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226253463 1034595157 /nfs/dbraw/zinc/59/51/57/1034595157.db2.gz JDEXTDQJRQCNNQ-WXRFJIMESA-N -1 3 350.419 2.699 20 30 FFEDHM C=C[C@@H]1O[C@H](Oc2cc3c(C)cc(=O)oc3cc2[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001226538776 1034725503 /nfs/dbraw/zinc/72/55/03/1034725503.db2.gz VRVPFVCHNIYCCN-GYIHYUDTSA-N -1 3 360.362 2.617 20 30 FFEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CC(=C)C)Cc2ccc(CO)o2)c1 ZINC001140472277 1035486922 /nfs/dbraw/zinc/48/69/22/1035486922.db2.gz YTLUNZLXXVIRES-UHFFFAOYSA-N -1 3 370.405 2.821 20 30 FFEDHM COc1cc(O[C@@H]2C=CC(=O)C2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227393863 1035531119 /nfs/dbraw/zinc/53/11/19/1035531119.db2.gz YSGYKODUEOZSHG-GFCCVEGCSA-N -1 3 364.353 2.761 20 30 FFEDHM CC1=C(Oc2[n-]c(=O)nc3cc(Br)ccc32)C(=O)[C@@H](C)O1 ZINC001228069346 1035913140 /nfs/dbraw/zinc/91/31/40/1035913140.db2.gz YQODCWRGHVEKDG-ZCFIWIBFSA-N -1 3 351.156 2.696 20 30 FFEDHM N#Cc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC001140814005 1036215600 /nfs/dbraw/zinc/21/56/00/1036215600.db2.gz AARRDYPDLGWWMK-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cccc(C#Cc2ccccn2)c1 ZINC000836393184 1036507081 /nfs/dbraw/zinc/50/70/81/1036507081.db2.gz LCHMKDUYEAUHLN-UHFFFAOYSA-N -1 3 367.405 2.876 20 30 FFEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000836393184 1036507087 /nfs/dbraw/zinc/50/70/87/1036507087.db2.gz LCHMKDUYEAUHLN-UHFFFAOYSA-N -1 3 367.405 2.876 20 30 FFEDHM CCCC#CC(=O)NC12CC(C(=O)Nc3nc4c(cccc4[O-])s3)(C1)C2 ZINC001277876444 1037138870 /nfs/dbraw/zinc/13/88/70/1037138870.db2.gz XPRHXTLFSFVJKY-UHFFFAOYSA-N -1 3 369.446 2.783 20 30 FFEDHM COC(=O)Cc1c(=O)[n-]cnc1O[C@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001230493327 1037293712 /nfs/dbraw/zinc/29/37/12/1037293712.db2.gz XFHYMQRCGYFXOX-MRXNPFEDSA-N -1 3 370.481 2.899 20 30 FFEDHM C=CCn1cc(C[N-]C(=O)C(F)(F)c2cccc(Br)c2)nn1 ZINC001536917751 1070085036 /nfs/dbraw/zinc/08/50/36/1070085036.db2.gz AEZOITXOQWLJMT-UHFFFAOYSA-N -1 3 371.185 2.635 20 30 FFEDHM C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(OC)c(C(=O)[O-])c1)C2 ZINC001231749893 1037874723 /nfs/dbraw/zinc/87/47/23/1037874723.db2.gz CAGHTZZXUFBRKY-NRFANRHFSA-N -1 3 372.465 2.927 20 30 FFEDHM C=CCOC[C@H]1c2nnn(C)c2CCN1Cc1ccc2ccccc2c1[O-] ZINC001231879141 1037974188 /nfs/dbraw/zinc/97/41/88/1037974188.db2.gz WVADDPITTAHMNS-IBGZPJMESA-N -1 3 364.449 2.976 20 30 FFEDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(Cl)c1 ZINC001258283121 1039296091 /nfs/dbraw/zinc/29/60/91/1039296091.db2.gz KCPYLVKCPQHOPU-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(F)c1 ZINC001251929068 1039360929 /nfs/dbraw/zinc/36/09/29/1039360929.db2.gz NSRZYOVXNXWXEP-UHFFFAOYSA-N -1 3 365.382 2.978 20 30 FFEDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ncc(C#N)cc1Cl)C(=O)C2 ZINC001258979306 1039635668 /nfs/dbraw/zinc/63/56/68/1039635668.db2.gz PWDIKXHJABNOCU-BDJLRTHQSA-N -1 3 367.858 2.744 20 30 FFEDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]C1=CC(=O)CC(C)(C)C1)C(=O)C2 ZINC001258989557 1039643955 /nfs/dbraw/zinc/64/39/55/1039643955.db2.gz DFBHCDHTWLMURS-KZULUSFZSA-N -1 3 353.484 2.574 20 30 FFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1F ZINC001259385404 1039962693 /nfs/dbraw/zinc/96/26/93/1039962693.db2.gz SWQKZXCTJLNEFY-UHFFFAOYSA-N -1 3 369.280 2.623 20 30 FFEDHM COC([O-])=NC(=S)N(c1cc(C#N)cc([N+](=O)[O-])c1)c1ccccc1N ZINC001211333029 1040084952 /nfs/dbraw/zinc/08/49/52/1040084952.db2.gz DPTIZJIOGQGPQC-UHFFFAOYSA-N -1 3 371.378 2.828 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC001213353470 1040472582 /nfs/dbraw/zinc/47/25/82/1040472582.db2.gz FTYWHZHALWLBGA-UHFFFAOYSA-N -1 3 361.254 2.640 20 30 FFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC001260382075 1040567375 /nfs/dbraw/zinc/56/73/75/1040567375.db2.gz AQWOMPUWCCYQSL-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 ZINC001213577509 1040688518 /nfs/dbraw/zinc/68/85/18/1040688518.db2.gz CYQUXDICCBLPTH-HZPDHXFCSA-N -1 3 366.483 2.738 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(Nc2ccc(C#N)cc2Cl)c([O-])c1 ZINC001213997752 1041146819 /nfs/dbraw/zinc/14/68/19/1041146819.db2.gz MLERKUUIIUXHMC-UHFFFAOYSA-N -1 3 351.815 2.911 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCc4nccnc4C3)n2C)c1[O-] ZINC001262918525 1041959850 /nfs/dbraw/zinc/95/98/50/1041959850.db2.gz QPMHFNRDWDTZHA-UHFFFAOYSA-N -1 3 362.437 2.659 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001262987618 1042012049 /nfs/dbraw/zinc/01/20/49/1042012049.db2.gz CFDGNBLZUGWGBE-MRXNPFEDSA-N -1 3 362.384 2.561 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 ZINC001262988427 1042012752 /nfs/dbraw/zinc/01/27/52/1042012752.db2.gz SAJKACBIUFEBIX-ZFWWWQNUSA-N -1 3 372.473 2.577 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001263062598 1042078545 /nfs/dbraw/zinc/07/85/45/1042078545.db2.gz YWHLTGZYIWYZJG-QZTJIDSGSA-N -1 3 357.454 2.639 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001263288446 1042223791 /nfs/dbraw/zinc/22/37/91/1042223791.db2.gz SKMDMTBXHKMZCY-NXEZZACHSA-N -1 3 353.883 2.623 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001263288446 1042223795 /nfs/dbraw/zinc/22/37/95/1042223795.db2.gz SKMDMTBXHKMZCY-NXEZZACHSA-N -1 3 353.883 2.623 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001263317027 1042237843 /nfs/dbraw/zinc/23/78/43/1042237843.db2.gz LUTFFUKHOGICAI-SFHVURJKSA-N -1 3 372.498 2.740 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)nn1 ZINC001309750356 1043508348 /nfs/dbraw/zinc/50/83/48/1043508348.db2.gz PWMCUGIFUDWZCC-UHFFFAOYSA-N -1 3 360.414 2.625 20 30 FFEDHM O=C(OCc1ccccc1-c1ccc([O-])c(F)c1)ON1C(=O)CCC1=O ZINC001240787272 1044430972 /nfs/dbraw/zinc/43/09/72/1044430972.db2.gz VFVKDNMPYLGGDL-UHFFFAOYSA-N -1 3 359.309 2.916 20 30 FFEDHM COc1c(C(=O)[O-])cccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001242920520 1044824035 /nfs/dbraw/zinc/82/40/35/1044824035.db2.gz RTUXBDWFZJVRJL-ZDUSSCGKSA-N -1 3 369.377 2.799 20 30 FFEDHM C=CCC1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)CCC1 ZINC001281599453 1044941507 /nfs/dbraw/zinc/94/15/07/1044941507.db2.gz QQNUGKQBXCRFNZ-DOTOQJQBSA-N -1 3 354.450 2.812 20 30 FFEDHM C=CCC1(C(=O)N[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)[C@@H]2C)CCC1 ZINC001316791299 1044987085 /nfs/dbraw/zinc/98/70/85/1044987085.db2.gz ICUBGSGYMMMOLO-PBHICJAKSA-N -1 3 370.497 2.885 20 30 FFEDHM C=C[C@H](COC)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC001320294673 1045384933 /nfs/dbraw/zinc/38/49/33/1045384933.db2.gz PTTKKQPTYBVOTF-SECBINFHSA-N -1 3 354.653 2.582 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1)c1ccc(C)c(C)c1 ZINC001320295215 1045385368 /nfs/dbraw/zinc/38/53/68/1045385368.db2.gz WDMHBKCSEFNIRP-SFHVURJKSA-N -1 3 372.446 2.562 20 30 FFEDHM C#CCCCC(=O)N1CC[C@@]2(CNC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001282572785 1045902474 /nfs/dbraw/zinc/90/24/74/1045902474.db2.gz REMUIGVTXJQQAR-WIYYLYMNSA-N -1 3 354.450 2.697 20 30 FFEDHM Cc1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC(C)C)n(C)n1 ZINC001331469237 1047955434 /nfs/dbraw/zinc/95/54/34/1047955434.db2.gz GKUKXTPQPYGVCW-UHFFFAOYSA-N -1 3 371.466 2.861 20 30 FFEDHM C=CCC[C@@H](NC(=O)C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC001329311439 1048663102 /nfs/dbraw/zinc/66/31/02/1048663102.db2.gz IGVVXWOUKVMMTL-QGZVFWFLSA-N -1 3 356.397 2.971 20 30 FFEDHM CC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cccc(OC)c1OC ZINC001329363855 1048687075 /nfs/dbraw/zinc/68/70/75/1048687075.db2.gz NTCTUGAQFUUFCE-CQSZACIVSA-N -1 3 360.435 2.894 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC[C@H](COC)C1 ZINC001341738795 1050356713 /nfs/dbraw/zinc/35/67/13/1050356713.db2.gz DRQGQYPSQDXILX-HNNXBMFYSA-N -1 3 372.473 2.578 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](CC(F)(F)F)C1 ZINC001340458615 1050852578 /nfs/dbraw/zinc/85/25/78/1050852578.db2.gz DMVDPXGANWTKRW-LLVKDONJSA-N -1 3 368.363 2.796 20 30 FFEDHM N#Cc1ccc(Nc2cccc(C(=O)NCCCc3c[n-][nH]c3=O)c2)cc1 ZINC001301562004 1050922346 /nfs/dbraw/zinc/92/23/46/1050922346.db2.gz QGFRIQLYVVKWJU-MRXNPFEDSA-N -1 3 361.405 2.544 20 30 FFEDHM Cc1sccc1CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892486 1052213955 /nfs/dbraw/zinc/21/39/55/1052213955.db2.gz HSDRWWXCIQUBQO-UHFFFAOYSA-N -1 3 358.419 2.503 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001345975374 1052691753 /nfs/dbraw/zinc/69/17/53/1052691753.db2.gz WMVWOFLKTWXZHK-KGLIPLIRSA-N -1 3 372.498 2.515 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001345994375 1052699574 /nfs/dbraw/zinc/69/95/74/1052699574.db2.gz PVVRCRCDFCUCRK-UWVGGRQHSA-N -1 3 353.883 2.623 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001345994375 1052699577 /nfs/dbraw/zinc/69/95/77/1052699577.db2.gz PVVRCRCDFCUCRK-UWVGGRQHSA-N -1 3 353.883 2.623 20 30 FFEDHM C=CCC[C@H]1CCCN1c1nnc(-c2cnc[n-]c2=O)n1C[C@H]1CCCO1 ZINC001347905034 1054444002 /nfs/dbraw/zinc/44/40/02/1054444002.db2.gz BKMSPABUVIIJCZ-LSDHHAIUSA-N -1 3 370.457 2.555 20 30 FFEDHM C=CC[C@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CCCOCC)C1 ZINC001357392881 1055889560 /nfs/dbraw/zinc/88/95/60/1055889560.db2.gz JUHVYHJXRLOCHG-HNNXBMFYSA-N -1 3 372.473 2.660 20 30 FFEDHM CO[C@](C)(C/N=C\c1c([O-])c(C)ncc1CO)COCc1ccccc1 ZINC000849170714 1056788956 /nfs/dbraw/zinc/78/89/56/1056788956.db2.gz SYJTZCLZBSHGDA-FUZNYIRFSA-N -1 3 358.438 2.629 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(F)(F)CC[C@H]1C ZINC001515002894 1059211009 /nfs/dbraw/zinc/21/10/09/1059211009.db2.gz LCOBYMJAOFINFB-LLVKDONJSA-N -1 3 364.400 2.949 20 30 FFEDHM N#Cc1ccc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)cc1 ZINC001456797153 1060199369 /nfs/dbraw/zinc/19/93/69/1060199369.db2.gz DSDAJDJYYQGEOH-UHFFFAOYSA-N -1 3 360.373 2.820 20 30 FFEDHM N#Cc1ccc(CC(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)cc1 ZINC001456797153 1060199373 /nfs/dbraw/zinc/19/93/73/1060199373.db2.gz DSDAJDJYYQGEOH-UHFFFAOYSA-N -1 3 360.373 2.820 20 30 FFEDHM C=C(CCC(=O)OC)C(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001457166402 1060297309 /nfs/dbraw/zinc/29/73/09/1060297309.db2.gz LKTVMOTZJPXTGS-UHFFFAOYSA-N -1 3 360.439 2.853 20 30 FFEDHM O=C(c1ccccc1S(=O)(=O)C(F)F)N([O-])Cc1ccc(F)cc1 ZINC001458029656 1060493149 /nfs/dbraw/zinc/49/31/49/1060493149.db2.gz SVGLUVYEJIKMML-UHFFFAOYSA-N -1 3 359.325 2.854 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)F)C3)n2C)c1[O-] ZINC001355742541 1060554698 /nfs/dbraw/zinc/55/46/98/1060554698.db2.gz AYWHXAOXBKJQOA-CQSZACIVSA-N -1 3 364.396 2.777 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc3ccccc3cc2C#N)o1 ZINC001460852356 1061127838 /nfs/dbraw/zinc/12/78/38/1061127838.db2.gz ODLIGNSBRXAYAY-UHFFFAOYSA-N -1 3 369.402 2.807 20 30 FFEDHM COC(=O)[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)c1cc(F)ccc1F ZINC001527516826 1061522340 /nfs/dbraw/zinc/52/23/40/1061522340.db2.gz JVISANUWAFSKTG-SNVBAGLBSA-N -1 3 361.213 2.883 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2ccccc2)C1 ZINC001522115397 1061568202 /nfs/dbraw/zinc/56/82/02/1061568202.db2.gz XDRRVYHPXQPVAE-ZDUSSCGKSA-N -1 3 367.844 2.615 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2ccccc2)C1 ZINC001522115397 1061568226 /nfs/dbraw/zinc/56/82/26/1061568226.db2.gz XDRRVYHPXQPVAE-ZDUSSCGKSA-N -1 3 367.844 2.615 20 30 FFEDHM Cn1ccnc1C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC001464132835 1062439649 /nfs/dbraw/zinc/43/96/49/1062439649.db2.gz AXODDIVJFIVVMW-CQSZACIVSA-N -1 3 372.475 2.616 20 30 FFEDHM Cc1cc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1C1CC1 ZINC001435954593 1062600739 /nfs/dbraw/zinc/60/07/39/1062600739.db2.gz CSJMRDMUQKITIR-UHFFFAOYSA-N -1 3 369.446 2.550 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1noc2ccc(F)cc12 ZINC001438594697 1063023050 /nfs/dbraw/zinc/02/30/50/1063023050.db2.gz PZNIRYKGCXQXHH-UHFFFAOYSA-N -1 3 368.368 2.805 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001468372815 1063974733 /nfs/dbraw/zinc/97/47/33/1063974733.db2.gz JWMVSDVVIHACCJ-NSHDSACASA-N -1 3 354.193 2.708 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C#N)ccc1F ZINC001575187386 1078114179 /nfs/dbraw/zinc/11/41/79/1078114179.db2.gz BZBPOKLOVULNBS-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C#N)ccc1F ZINC001575187386 1078114182 /nfs/dbraw/zinc/11/41/82/1078114182.db2.gz BZBPOKLOVULNBS-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001575189007 1078114535 /nfs/dbraw/zinc/11/45/35/1078114535.db2.gz MBUKSWYDEJLVHO-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001575189007 1078114539 /nfs/dbraw/zinc/11/45/39/1078114539.db2.gz MBUKSWYDEJLVHO-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cc(C#N)ccc1F ZINC001575188924 1078115023 /nfs/dbraw/zinc/11/50/23/1078115023.db2.gz LCRIDDNEIOGFTK-GFCCVEGCSA-N -1 3 365.368 2.799 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(C#N)ccc1F ZINC001575188924 1078115029 /nfs/dbraw/zinc/11/50/29/1078115029.db2.gz LCRIDDNEIOGFTK-GFCCVEGCSA-N -1 3 365.368 2.799 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC001472621062 1065112718 /nfs/dbraw/zinc/11/27/18/1065112718.db2.gz FOOFEYKNQUTSFF-NVXWUHKLSA-N -1 3 364.490 2.906 20 30 FFEDHM O=C(Cn1nc(-c2ccccc2)ccc1=O)N([O-])Cc1ccccc1Cl ZINC001472618801 1065113287 /nfs/dbraw/zinc/11/32/87/1065113287.db2.gz IUHRMJVVGACXSI-UHFFFAOYSA-N -1 3 369.808 2.982 20 30 FFEDHM CCCC[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)C#CC1CC1 ZINC001577473693 1078365475 /nfs/dbraw/zinc/36/54/75/1078365475.db2.gz IFDJCCNFZGVWBM-AWEZNQCLSA-N -1 3 370.432 2.506 20 30 FFEDHM CCCC[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C#CC1CC1 ZINC001577473693 1078365477 /nfs/dbraw/zinc/36/54/77/1078365477.db2.gz IFDJCCNFZGVWBM-AWEZNQCLSA-N -1 3 370.432 2.506 20 30 FFEDHM CN(CCOCc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1C#N ZINC001579230009 1078594556 /nfs/dbraw/zinc/59/45/56/1078594556.db2.gz PGUGONBDVGWLIH-UHFFFAOYSA-N -1 3 366.400 2.526 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001580768976 1078857091 /nfs/dbraw/zinc/85/70/91/1078857091.db2.gz UWMZXMKTTODIOQ-UHFFFAOYSA-N -1 3 350.357 2.676 20 30 FFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001580768976 1078857102 /nfs/dbraw/zinc/85/71/02/1078857102.db2.gz UWMZXMKTTODIOQ-UHFFFAOYSA-N -1 3 350.357 2.676 20 30 FFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001580933632 1078896318 /nfs/dbraw/zinc/89/63/18/1078896318.db2.gz VCZIHYPAOAIDSB-UHFFFAOYSA-N -1 3 361.340 2.920 20 30 FFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001580933632 1078896325 /nfs/dbraw/zinc/89/63/25/1078896325.db2.gz VCZIHYPAOAIDSB-UHFFFAOYSA-N -1 3 361.340 2.920 20 30 FFEDHM N#Cc1ccc(NC(=O)CSc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001581872945 1079011605 /nfs/dbraw/zinc/01/16/05/1079011605.db2.gz NEWZOWWFXAXUCH-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC001556243187 1075719814 /nfs/dbraw/zinc/71/98/14/1075719814.db2.gz KRWLBFHNJVHTJP-NRFANRHFSA-N -1 3 361.401 2.698 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC001556749780 1075771404 /nfs/dbraw/zinc/77/14/04/1075771404.db2.gz PMIOSFPUHTXBTO-GDBMZVCRSA-N -1 3 360.410 2.765 20 30 FFEDHM CC(=O)[C@@](C#N)(CCSc1nc2c(cnn2C)c(=O)[n-]1)c1ccccc1 ZINC001559440715 1076159854 /nfs/dbraw/zinc/15/98/54/1076159854.db2.gz OCHNPBRPHOAGBC-SFHVURJKSA-N -1 3 367.434 2.602 20 30 FFEDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC2(C#N)CC2)c(Br)c1 ZINC001561516179 1076387181 /nfs/dbraw/zinc/38/71/81/1076387181.db2.gz VVXWJWHNIUFYLD-UHFFFAOYSA-N -1 3 363.664 2.993 20 30 FFEDHM C#CCOc1ccccc1CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001586247341 1079583023 /nfs/dbraw/zinc/58/30/23/1079583023.db2.gz RQGPDINMJJJXCQ-UHFFFAOYSA-N -1 3 368.339 2.748 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001588333800 1079986744 /nfs/dbraw/zinc/98/67/44/1079986744.db2.gz DYWHLTRDTRABBT-INIZCTEOSA-N -1 3 350.357 2.892 20 30 FFEDHM C#CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001588333800 1079986753 /nfs/dbraw/zinc/98/67/53/1079986753.db2.gz DYWHLTRDTRABBT-INIZCTEOSA-N -1 3 350.357 2.892 20 30 FFEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588332603 1079987689 /nfs/dbraw/zinc/98/76/89/1079987689.db2.gz NOPTWEUIQJZSQA-MRXNPFEDSA-N -1 3 374.404 2.682 20 30 FFEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588332603 1079987694 /nfs/dbraw/zinc/98/76/94/1079987694.db2.gz NOPTWEUIQJZSQA-MRXNPFEDSA-N -1 3 374.404 2.682 20 30 FFEDHM C#CCC[C@@H](C)OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC001588336727 1079988683 /nfs/dbraw/zinc/98/86/83/1079988683.db2.gz DZICSMBJNKEJPY-CYBMUJFWSA-N -1 3 366.377 2.997 20 30 FFEDHM C#CCC[C@@H](C)OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC001588336727 1079988688 /nfs/dbraw/zinc/98/86/88/1079988688.db2.gz DZICSMBJNKEJPY-CYBMUJFWSA-N -1 3 366.377 2.997 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588334455 1079989226 /nfs/dbraw/zinc/98/92/26/1079989226.db2.gz XYFCZQHDMWEWAB-HWOXTHGCSA-N -1 3 357.417 2.631 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588334455 1079989230 /nfs/dbraw/zinc/98/92/30/1079989230.db2.gz XYFCZQHDMWEWAB-HWOXTHGCSA-N -1 3 357.417 2.631 20 30 FFEDHM C#CCCCCC(=O)OCc1cc(Br)cc(-c2nnn[n-]2)c1 ZINC001588344421 1079990314 /nfs/dbraw/zinc/99/03/14/1079990314.db2.gz OXAHIAJFJVDVRP-UHFFFAOYSA-N -1 3 363.215 2.866 20 30 FFEDHM C#CCCCCC(=O)OCc1cc(Br)cc(-c2nn[n-]n2)c1 ZINC001588344421 1079990317 /nfs/dbraw/zinc/99/03/17/1079990317.db2.gz OXAHIAJFJVDVRP-UHFFFAOYSA-N -1 3 363.215 2.866 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588352215 1079992210 /nfs/dbraw/zinc/99/22/10/1079992210.db2.gz VRMLMFXTJQDYTF-UHFFFAOYSA-N -1 3 363.446 2.621 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588352215 1079992217 /nfs/dbraw/zinc/99/22/17/1079992217.db2.gz VRMLMFXTJQDYTF-UHFFFAOYSA-N -1 3 363.446 2.621 20 30 FFEDHM C#CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)C ZINC001588348711 1079992547 /nfs/dbraw/zinc/99/25/47/1079992547.db2.gz JPJYHAOXWXJASS-UHFFFAOYSA-N -1 3 362.393 2.538 20 30 FFEDHM C#CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)C ZINC001588348711 1079992554 /nfs/dbraw/zinc/99/25/54/1079992554.db2.gz JPJYHAOXWXJASS-UHFFFAOYSA-N -1 3 362.393 2.538 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588401010 1080009664 /nfs/dbraw/zinc/00/96/64/1080009664.db2.gz KKMQPBMNGFBHBD-SKDRFNHKSA-N -1 3 354.336 2.674 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588401010 1080009673 /nfs/dbraw/zinc/00/96/73/1080009673.db2.gz KKMQPBMNGFBHBD-SKDRFNHKSA-N -1 3 354.336 2.674 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(CC)(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001588409189 1080012274 /nfs/dbraw/zinc/01/22/74/1080012274.db2.gz BOECZUAXTWNIOQ-UHFFFAOYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(CC)(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001588409189 1080012284 /nfs/dbraw/zinc/01/22/84/1080012284.db2.gz BOECZUAXTWNIOQ-UHFFFAOYSA-N -1 3 369.473 2.801 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588412680 1080016221 /nfs/dbraw/zinc/01/62/21/1080016221.db2.gz YWZKECCMCAYZAP-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588412680 1080016232 /nfs/dbraw/zinc/01/62/32/1080016232.db2.gz YWZKECCMCAYZAP-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](C)CCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588415218 1080017471 /nfs/dbraw/zinc/01/74/71/1080017471.db2.gz GGAGQRPOFRNMHK-CYBMUJFWSA-N -1 3 357.462 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](C)CCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588415218 1080017480 /nfs/dbraw/zinc/01/74/80/1080017480.db2.gz GGAGQRPOFRNMHK-CYBMUJFWSA-N -1 3 357.462 2.623 20 30 FFEDHM C=C(C)CCC(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588418079 1080020409 /nfs/dbraw/zinc/02/04/09/1080020409.db2.gz QEAFOSWWMZLKSU-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=C(C)CCC(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588418079 1080020417 /nfs/dbraw/zinc/02/04/17/1080020417.db2.gz QEAFOSWWMZLKSU-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=C(CC(C)C)C(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588442320 1080028711 /nfs/dbraw/zinc/02/87/11/1080028711.db2.gz MMGDPBYGRCMFIF-UHFFFAOYSA-N -1 3 351.414 2.652 20 30 FFEDHM C=C(CC(C)C)C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588442320 1080028722 /nfs/dbraw/zinc/02/87/22/1080028722.db2.gz MMGDPBYGRCMFIF-UHFFFAOYSA-N -1 3 351.414 2.652 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNc3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001588454200 1080030794 /nfs/dbraw/zinc/03/07/94/1080030794.db2.gz OCXOQQFEYOZFCI-JOCQHMNTSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001588454200 1080030803 /nfs/dbraw/zinc/03/08/03/1080030803.db2.gz OCXOQQFEYOZFCI-JOCQHMNTSA-N -1 3 370.432 2.669 20 30 FFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588456274 1080033712 /nfs/dbraw/zinc/03/37/12/1080033712.db2.gz KLZWMCLBMUZADU-PHIMTYICSA-N -1 3 364.331 2.604 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001588476786 1080043699 /nfs/dbraw/zinc/04/36/99/1080043699.db2.gz XMWRHASEBSLWSV-AWEZNQCLSA-N -1 3 372.448 2.549 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001588476786 1080043703 /nfs/dbraw/zinc/04/37/03/1080043703.db2.gz XMWRHASEBSLWSV-AWEZNQCLSA-N -1 3 372.448 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001588483380 1080045393 /nfs/dbraw/zinc/04/53/93/1080045393.db2.gz ICZFULUYZUDQFX-HNNXBMFYSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)CC(=O)NC[C@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001588483380 1080045402 /nfs/dbraw/zinc/04/54/02/1080045402.db2.gz ICZFULUYZUDQFX-HNNXBMFYSA-N -1 3 371.489 2.725 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588484396 1080048220 /nfs/dbraw/zinc/04/82/20/1080048220.db2.gz CABRFZPZELFSHV-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588484396 1080048229 /nfs/dbraw/zinc/04/82/29/1080048229.db2.gz CABRFZPZELFSHV-ZFWWWQNUSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588484765 1080048885 /nfs/dbraw/zinc/04/88/85/1080048885.db2.gz MPJNMXQVXBOPLP-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588484765 1080048891 /nfs/dbraw/zinc/04/88/91/1080048891.db2.gz MPJNMXQVXBOPLP-DZGCQCFKSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001588484937 1080049962 /nfs/dbraw/zinc/04/99/62/1080049962.db2.gz SFGYXTFZVSDOGY-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001588484937 1080049968 /nfs/dbraw/zinc/04/99/68/1080049968.db2.gz SFGYXTFZVSDOGY-AWEZNQCLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588491497 1080053256 /nfs/dbraw/zinc/05/32/56/1080053256.db2.gz HGMGBDWDLVDJHM-KXBFYZLASA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588491497 1080053263 /nfs/dbraw/zinc/05/32/63/1080053263.db2.gz HGMGBDWDLVDJHM-KXBFYZLASA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588491915 1080054521 /nfs/dbraw/zinc/05/45/21/1080054521.db2.gz LWJAYSYUZHDPNG-IBGZPJMESA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588491915 1080054529 /nfs/dbraw/zinc/05/45/29/1080054529.db2.gz LWJAYSYUZHDPNG-IBGZPJMESA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588494041 1080055920 /nfs/dbraw/zinc/05/59/20/1080055920.db2.gz OJZAPYGRLUIYSE-BFUOFWGJSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588494041 1080055929 /nfs/dbraw/zinc/05/59/29/1080055929.db2.gz OJZAPYGRLUIYSE-BFUOFWGJSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588493758 1080055947 /nfs/dbraw/zinc/05/59/47/1080055947.db2.gz KURUPPGMONQLHQ-JFIBYHEFSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588493758 1080055956 /nfs/dbraw/zinc/05/59/56/1080055956.db2.gz KURUPPGMONQLHQ-JFIBYHEFSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@](C)(CC)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588497201 1080059607 /nfs/dbraw/zinc/05/96/07/1080059607.db2.gz XOAHWORGTXUQNY-QGZVFWFLSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C[C@](C)(CC)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588497201 1080059616 /nfs/dbraw/zinc/05/96/16/1080059616.db2.gz XOAHWORGTXUQNY-QGZVFWFLSA-N -1 3 354.370 2.562 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588500096 1080061134 /nfs/dbraw/zinc/06/11/34/1080061134.db2.gz QPCHKKFWQIOSMY-MRXNPFEDSA-N -1 3 350.806 2.792 20 30 FFEDHM C=C[C@](C)(CCOC)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588500096 1080061144 /nfs/dbraw/zinc/06/11/44/1080061144.db2.gz QPCHKKFWQIOSMY-MRXNPFEDSA-N -1 3 350.806 2.792 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001588522676 1080075010 /nfs/dbraw/zinc/07/50/10/1080075010.db2.gz FEGMLYUUOUUHDU-KGLIPLIRSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001588522676 1080075020 /nfs/dbraw/zinc/07/50/20/1080075020.db2.gz FEGMLYUUOUUHDU-KGLIPLIRSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588531794 1080081551 /nfs/dbraw/zinc/08/15/51/1080081551.db2.gz IPBOREGOGDQVRD-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588531794 1080081561 /nfs/dbraw/zinc/08/15/61/1080081561.db2.gz IPBOREGOGDQVRD-UKRRQHHQSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccncc1 ZINC001588547916 1080090031 /nfs/dbraw/zinc/09/00/31/1080090031.db2.gz AFTHEVCUNUKHNR-MRXNPFEDSA-N -1 3 367.388 2.517 20 30 FFEDHM C=CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccncc1 ZINC001588547916 1080090037 /nfs/dbraw/zinc/09/00/37/1080090037.db2.gz AFTHEVCUNUKHNR-MRXNPFEDSA-N -1 3 367.388 2.517 20 30 FFEDHM C=CCC1(C(=O)NCCCNc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001588554220 1080093837 /nfs/dbraw/zinc/09/38/37/1080093837.db2.gz YMGZCEAXWSTHMW-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=CCC1(C(=O)NCCCNc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001588554220 1080093841 /nfs/dbraw/zinc/09/38/41/1080093841.db2.gz YMGZCEAXWSTHMW-UHFFFAOYSA-N -1 3 369.473 2.625 20 30 FFEDHM C=CCC1(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001588556114 1080094770 /nfs/dbraw/zinc/09/47/70/1080094770.db2.gz DYVZHZKZMSLAIX-CYBMUJFWSA-N -1 3 369.425 2.873 20 30 FFEDHM C=CCC1(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001588556114 1080094777 /nfs/dbraw/zinc/09/47/77/1080094777.db2.gz DYVZHZKZMSLAIX-CYBMUJFWSA-N -1 3 369.425 2.873 20 30 FFEDHM C=CCC[C@H](C)OC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588578106 1080106172 /nfs/dbraw/zinc/10/61/72/1080106172.db2.gz WFTOUOACIKDHCV-GXTWGEPZSA-N -1 3 359.405 2.730 20 30 FFEDHM C=CCCCC(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588587283 1080111212 /nfs/dbraw/zinc/11/12/12/1080111212.db2.gz SXMRSJPOZUCDPU-AWEZNQCLSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CCCCC(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588587283 1080111216 /nfs/dbraw/zinc/11/12/16/1080111216.db2.gz SXMRSJPOZUCDPU-AWEZNQCLSA-N -1 3 357.462 2.561 20 30 FFEDHM C=CCCCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001588590470 1080113584 /nfs/dbraw/zinc/11/35/84/1080113584.db2.gz OBASLSFSAQRXKC-ZIAGYGMSSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCCCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001588590470 1080113588 /nfs/dbraw/zinc/11/35/88/1080113588.db2.gz OBASLSFSAQRXKC-ZIAGYGMSSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCCCN(C)C(=O)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001588601488 1080120611 /nfs/dbraw/zinc/12/06/11/1080120611.db2.gz NYBDIUKMSLWSPJ-UHFFFAOYSA-N -1 3 364.247 2.596 20 30 FFEDHM C=CCCCN(C)C(=O)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001588601488 1080120617 /nfs/dbraw/zinc/12/06/17/1080120617.db2.gz NYBDIUKMSLWSPJ-UHFFFAOYSA-N -1 3 364.247 2.596 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H](C)COC ZINC001588625028 1080126031 /nfs/dbraw/zinc/12/60/31/1080126031.db2.gz BISHZXPGTAMOGD-SNVBAGLBSA-N -1 3 350.810 2.575 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H](C)COC ZINC001588625028 1080126038 /nfs/dbraw/zinc/12/60/38/1080126038.db2.gz BISHZXPGTAMOGD-SNVBAGLBSA-N -1 3 350.810 2.575 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC1CCCC1 ZINC001588626650 1080127069 /nfs/dbraw/zinc/12/70/69/1080127069.db2.gz OEFPCSGTHHABSY-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC1CCCC1 ZINC001588626650 1080127073 /nfs/dbraw/zinc/12/70/73/1080127073.db2.gz OEFPCSGTHHABSY-UHFFFAOYSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588635498 1080130709 /nfs/dbraw/zinc/13/07/09/1080130709.db2.gz KTJAGGYYVBEFLK-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588635498 1080130715 /nfs/dbraw/zinc/13/07/15/1080130715.db2.gz KTJAGGYYVBEFLK-UHFFFAOYSA-N -1 3 367.384 2.843 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC001588640061 1080133756 /nfs/dbraw/zinc/13/37/56/1080133756.db2.gz ZRDQWKRVXVAOTM-ZWKOTPCHSA-N -1 3 369.469 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC001588640061 1080133759 /nfs/dbraw/zinc/13/37/59/1080133759.db2.gz ZRDQWKRVXVAOTM-ZWKOTPCHSA-N -1 3 369.469 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC001588641316 1080134330 /nfs/dbraw/zinc/13/43/30/1080134330.db2.gz BWMVZPNUWPNEGZ-IAGOWNOFSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC001588641316 1080134333 /nfs/dbraw/zinc/13/43/33/1080134333.db2.gz BWMVZPNUWPNEGZ-IAGOWNOFSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c2ccccc2nn1C ZINC001588648958 1080139147 /nfs/dbraw/zinc/13/91/47/1080139147.db2.gz FKGXLEKHSDVMMC-UHFFFAOYSA-N -1 3 373.420 2.582 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c2ccccc2nn1C ZINC001588648958 1080139152 /nfs/dbraw/zinc/13/91/52/1080139152.db2.gz FKGXLEKHSDVMMC-UHFFFAOYSA-N -1 3 373.420 2.582 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(CCC)on1 ZINC001588649241 1080139931 /nfs/dbraw/zinc/13/99/31/1080139931.db2.gz LJHDFOQSSCIVOY-UHFFFAOYSA-N -1 3 352.398 2.636 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(CCC)on1 ZINC001588649241 1080139933 /nfs/dbraw/zinc/13/99/33/1080139933.db2.gz LJHDFOQSSCIVOY-UHFFFAOYSA-N -1 3 352.398 2.636 20 30 FFEDHM C=CCN(Cc1nc(CCCC)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652249 1080141685 /nfs/dbraw/zinc/14/16/85/1080141685.db2.gz QCCWFAOOOHGTBY-UHFFFAOYSA-N -1 3 353.430 2.781 20 30 FFEDHM C=CCN(Cc1nc(CCCC)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652249 1080141691 /nfs/dbraw/zinc/14/16/91/1080141691.db2.gz QCCWFAOOOHGTBY-UHFFFAOYSA-N -1 3 353.430 2.781 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588659315 1080144328 /nfs/dbraw/zinc/14/43/28/1080144328.db2.gz KPNNGDKINNFJBP-CYBMUJFWSA-N -1 3 364.409 2.762 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588659315 1080144334 /nfs/dbraw/zinc/14/43/34/1080144334.db2.gz KPNNGDKINNFJBP-CYBMUJFWSA-N -1 3 364.409 2.762 20 30 FFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(C)cc2-c2nnn[n-]2)cc1 ZINC001588689268 1080156267 /nfs/dbraw/zinc/15/62/67/1080156267.db2.gz CBWQGSPUPZDGOO-UHFFFAOYSA-N -1 3 372.406 2.508 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588690355 1080157220 /nfs/dbraw/zinc/15/72/20/1080157220.db2.gz ZWCCCGYQVKFYHR-UHFFFAOYSA-N -1 3 366.377 2.667 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H](CC)C1 ZINC001588699503 1080161109 /nfs/dbraw/zinc/16/11/09/1080161109.db2.gz JVSHNQBMFUGNRP-AWEZNQCLSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H](CC)C1 ZINC001588699503 1080161111 /nfs/dbraw/zinc/16/11/11/1080161111.db2.gz JVSHNQBMFUGNRP-AWEZNQCLSA-N -1 3 364.457 2.938 20 30 FFEDHM C=CCn1c(N(C)CCc2cccc(-c3nnn[n-]3)c2)nnc1C(C)(C)F ZINC001588708091 1080165113 /nfs/dbraw/zinc/16/51/13/1080165113.db2.gz CWAGYAFXLVFRHJ-UHFFFAOYSA-N -1 3 370.436 2.528 20 30 FFEDHM C=CCn1c(N(C)CCc2cccc(-c3nn[n-]n3)c2)nnc1C(C)(C)F ZINC001588708091 1080165118 /nfs/dbraw/zinc/16/51/18/1080165118.db2.gz CWAGYAFXLVFRHJ-UHFFFAOYSA-N -1 3 370.436 2.528 20 30 FFEDHM CC#CCCCC(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588743402 1080178753 /nfs/dbraw/zinc/17/87/53/1080178753.db2.gz CRPHUZBCJDJLEC-ZDUSSCGKSA-N -1 3 358.421 2.506 20 30 FFEDHM CC#CCCCC(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588743402 1080178755 /nfs/dbraw/zinc/17/87/55/1080178755.db2.gz CRPHUZBCJDJLEC-ZDUSSCGKSA-N -1 3 358.421 2.506 20 30 FFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cnccc2-c2nnn[n-]2)cc1 ZINC001589222399 1080428775 /nfs/dbraw/zinc/42/87/75/1080428775.db2.gz ZPZSTZSBVVOMRB-INIZCTEOSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cnccc2-c2nn[n-]n2)cc1 ZINC001589222399 1080428778 /nfs/dbraw/zinc/42/87/78/1080428778.db2.gz ZPZSTZSBVVOMRB-INIZCTEOSA-N -1 3 361.409 2.554 20 30 FFEDHM CC(C)(CC#N)CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589266991 1080454705 /nfs/dbraw/zinc/45/47/05/1080454705.db2.gz FFHSQNYXOWVSPU-UHFFFAOYSA-N -1 3 365.441 2.605 20 30 FFEDHM CC(C)(CC#N)CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589266991 1080454708 /nfs/dbraw/zinc/45/47/08/1080454708.db2.gz FFHSQNYXOWVSPU-UHFFFAOYSA-N -1 3 365.441 2.605 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC001589463702 1080545547 /nfs/dbraw/zinc/54/55/47/1080545547.db2.gz JVJLPCNSCDMDSO-FZMZJTMJSA-N -1 3 366.377 2.649 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001589786648 1080741817 /nfs/dbraw/zinc/74/18/17/1080741817.db2.gz AUTCXUHCADXWEG-NSHDSACASA-N -1 3 367.438 2.852 20 30 FFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001589786648 1080741827 /nfs/dbraw/zinc/74/18/27/1080741827.db2.gz AUTCXUHCADXWEG-NSHDSACASA-N -1 3 367.438 2.852 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001589896389 1080842614 /nfs/dbraw/zinc/84/26/14/1080842614.db2.gz XPLYQAOFDFPNNE-UONOGXRCSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001589896389 1080842616 /nfs/dbraw/zinc/84/26/16/1080842616.db2.gz XPLYQAOFDFPNNE-UONOGXRCSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589895866 1080843322 /nfs/dbraw/zinc/84/33/22/1080843322.db2.gz BEZYNYOTMNDXMY-KBPBESRZSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589895866 1080843328 /nfs/dbraw/zinc/84/33/28/1080843328.db2.gz BEZYNYOTMNDXMY-KBPBESRZSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(C#N)c1 ZINC001589931475 1080874261 /nfs/dbraw/zinc/87/42/61/1080874261.db2.gz MICSVRQTNTXLNN-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(C#N)c1 ZINC001589931475 1080874264 /nfs/dbraw/zinc/87/42/64/1080874264.db2.gz MICSVRQTNTXLNN-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)c1ccccc1SCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589948161 1080891445 /nfs/dbraw/zinc/89/14/45/1080891445.db2.gz ZUGGLUFYAFCIJI-LBPRGKRZSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@H](NC(=O)c1ccccc1SCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589948161 1080891454 /nfs/dbraw/zinc/89/14/54/1080891454.db2.gz ZUGGLUFYAFCIJI-LBPRGKRZSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC001590024369 1080950324 /nfs/dbraw/zinc/95/03/24/1080950324.db2.gz ZIFSTFDVRTYRNO-XLWVJDPXSA-N -1 3 355.398 2.650 20 30 FFEDHM CC1CCC(C)(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590224998 1081106259 /nfs/dbraw/zinc/10/62/59/1081106259.db2.gz HBYJONKGICGCGS-WSGJVKOYSA-N -1 3 366.469 2.882 20 30 FFEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c(=O)[n-]1 ZINC000153591242 251152577 /nfs/dbraw/zinc/15/25/77/251152577.db2.gz OXJYIKAHHPECRU-UHFFFAOYSA-N -1 3 354.410 2.617 20 30 FFEDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000276947228 256145577 /nfs/dbraw/zinc/14/55/77/256145577.db2.gz NVJHCVCVOJSWOL-VHSXEESVSA-N -1 3 367.862 2.883 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290729313 257354998 /nfs/dbraw/zinc/35/49/98/257354998.db2.gz NXMXABNFUAKNAS-CQSZACIVSA-N -1 3 373.844 2.532 20 30 FFEDHM COCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCCC1 ZINC000290746808 257355830 /nfs/dbraw/zinc/35/58/30/257355830.db2.gz PLUFTRYMNZMZTB-UHFFFAOYSA-N -1 3 359.470 2.921 20 30 FFEDHM N#Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)ccc1C(F)(F)F ZINC000410321599 512239109 /nfs/dbraw/zinc/23/91/09/512239109.db2.gz ODQPBGGOOCITEV-UHFFFAOYSA-N -1 3 364.242 2.756 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1OC(C)C ZINC000055956917 506897105 /nfs/dbraw/zinc/89/71/05/506897105.db2.gz FNGFCVHKCQTKMA-UHFFFAOYSA-N -1 3 367.449 2.900 20 30 FFEDHM CCN(CCc1ccccc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000045466169 506970563 /nfs/dbraw/zinc/97/05/63/506970563.db2.gz HKTTZVJFSKAUNY-UHFFFAOYSA-N -1 3 351.450 2.887 20 30 FFEDHM CCOc1ccc(C#N)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000056477062 507024383 /nfs/dbraw/zinc/02/43/83/507024383.db2.gz SZTGRLVDDGWRID-UHFFFAOYSA-N -1 3 364.405 2.705 20 30 FFEDHM COc1ccc(F)cc1[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000046402862 507129902 /nfs/dbraw/zinc/12/99/02/507129902.db2.gz ZEQCHWOFQCDLPK-CYBMUJFWSA-N -1 3 371.412 2.821 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccncc1 ZINC000025590609 507513317 /nfs/dbraw/zinc/51/33/17/507513317.db2.gz QUUQZOIYRNZTDL-SFHVURJKSA-N -1 3 350.422 2.555 20 30 FFEDHM CSc1nc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c2ccccn12 ZINC000063093798 507692288 /nfs/dbraw/zinc/69/22/88/507692288.db2.gz AGIWZIYSPXSMTF-UHFFFAOYSA-N -1 3 351.395 2.873 20 30 FFEDHM CSc1nc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c2ccccn12 ZINC000063093798 507692295 /nfs/dbraw/zinc/69/22/95/507692295.db2.gz AGIWZIYSPXSMTF-UHFFFAOYSA-N -1 3 351.395 2.873 20 30 FFEDHM CSc1nc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c2ccccn12 ZINC000063093798 507692300 /nfs/dbraw/zinc/69/23/00/507692300.db2.gz AGIWZIYSPXSMTF-UHFFFAOYSA-N -1 3 351.395 2.873 20 30 FFEDHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000075536054 508115124 /nfs/dbraw/zinc/11/51/24/508115124.db2.gz RBBDJEWAKIRDII-ZETCQYMHSA-N -1 3 351.329 2.961 20 30 FFEDHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000075536054 508115125 /nfs/dbraw/zinc/11/51/25/508115125.db2.gz RBBDJEWAKIRDII-ZETCQYMHSA-N -1 3 351.329 2.961 20 30 FFEDHM C=CCCCN(C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000076650701 508235924 /nfs/dbraw/zinc/23/59/24/508235924.db2.gz KJBXPTUROFSXJZ-UHFFFAOYSA-N -1 3 372.469 2.656 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000084234437 508270876 /nfs/dbraw/zinc/27/08/76/508270876.db2.gz RWYYZOYUJPHIJI-UHFFFAOYSA-N -1 3 369.387 2.987 20 30 FFEDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000157381921 508559054 /nfs/dbraw/zinc/55/90/54/508559054.db2.gz HPFXZMXOYKBWLJ-UHFFFAOYSA-N -1 3 355.872 2.806 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000157328086 508552908 /nfs/dbraw/zinc/55/29/08/508552908.db2.gz XQSWQRCCDXECDD-AWEZNQCLSA-N -1 3 361.354 2.571 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)Nc1ccccc1 ZINC000157492663 508574022 /nfs/dbraw/zinc/57/40/22/508574022.db2.gz ZVFPYZZLTRVZMY-LLVKDONJSA-N -1 3 363.826 2.517 20 30 FFEDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000128832069 508649302 /nfs/dbraw/zinc/64/93/02/508649302.db2.gz DKYWYHIHBLBQMO-LLVKDONJSA-N -1 3 364.389 2.652 20 30 FFEDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000119162916 508738964 /nfs/dbraw/zinc/73/89/64/508738964.db2.gz SUXOUPBQPZZOLI-ZDUSSCGKSA-N -1 3 364.389 2.652 20 30 FFEDHM N#Cc1cc(F)c(C(=O)[N-]c2cccn(CC(F)(F)F)c2=O)c(F)c1 ZINC000159323396 508825077 /nfs/dbraw/zinc/82/50/77/508825077.db2.gz LJOICPAFASIVAB-UHFFFAOYSA-N -1 3 357.238 2.813 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C#N)cc2)C1=O ZINC000119898278 508886299 /nfs/dbraw/zinc/88/62/99/508886299.db2.gz RJUGBLZMDXPFAE-IBGZPJMESA-N -1 3 356.426 2.874 20 30 FFEDHM N#Cc1cccc(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)c1 ZINC000131101104 508887188 /nfs/dbraw/zinc/88/71/88/508887188.db2.gz FUHOTJUEDMZBIX-UHFFFAOYSA-N -1 3 370.459 2.696 20 30 FFEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000125293540 508961974 /nfs/dbraw/zinc/96/19/74/508961974.db2.gz CAVXPUFRNHPGGJ-LBPRGKRZSA-N -1 3 356.856 2.594 20 30 FFEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000160641072 509013279 /nfs/dbraw/zinc/01/32/79/509013279.db2.gz JAZKPPCTUXIYIU-QMMMGPOBSA-N -1 3 372.269 2.763 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000160960882 509053344 /nfs/dbraw/zinc/05/33/44/509053344.db2.gz WHOBSADRTHUDJG-UHFFFAOYSA-N -1 3 369.162 2.802 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000156096903 509125715 /nfs/dbraw/zinc/12/57/15/509125715.db2.gz UUWPKFZOXALJDY-INIZCTEOSA-N -1 3 363.870 2.793 20 30 FFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162350586 509204999 /nfs/dbraw/zinc/20/49/99/509204999.db2.gz FAWSAPFPJRDIHY-NSHDSACASA-N -1 3 365.333 2.830 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192077615 509335692 /nfs/dbraw/zinc/33/56/92/509335692.db2.gz XRDRNUKALMFAEU-QGZVFWFLSA-N -1 3 365.433 2.618 20 30 FFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000186424155 509702900 /nfs/dbraw/zinc/70/29/00/509702900.db2.gz AMXFUVKTSOFKSY-QMMMGPOBSA-N -1 3 351.306 2.584 20 30 FFEDHM CCC(CC)[C@@H]1C[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCO1 ZINC000183377773 509749193 /nfs/dbraw/zinc/74/91/93/509749193.db2.gz JDSFRNQYUIOVMS-APWZRJJASA-N -1 3 373.497 2.896 20 30 FFEDHM COc1cc(/C=C/C(=O)N(C)[C@@H](C)CC#N)cc(Br)c1[O-] ZINC000183566674 509864645 /nfs/dbraw/zinc/86/46/45/509864645.db2.gz MYGGPODJYAHSBB-YEZKRMTDSA-N -1 3 353.216 2.937 20 30 FFEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C(C)C)[n+]1cc([O-])cc(Cl)c1 ZINC000186959974 509973150 /nfs/dbraw/zinc/97/31/50/509973150.db2.gz JUDIOYJQRHUWIN-UHFFFAOYSA-O -1 3 368.866 2.875 20 30 FFEDHM CCS[C@@H]1CC[C@H](N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000174365343 510078335 /nfs/dbraw/zinc/07/83/35/510078335.db2.gz XRZJVNWCBFFUPZ-LSDHHAIUSA-N -1 3 361.511 2.929 20 30 FFEDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000190376684 510095801 /nfs/dbraw/zinc/09/58/01/510095801.db2.gz BUBPGODDPOENTN-INIZCTEOSA-N -1 3 356.875 2.821 20 30 FFEDHM Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1O ZINC000177664777 510187569 /nfs/dbraw/zinc/18/75/69/510187569.db2.gz JWNZXULJKKYHHQ-UHFFFAOYSA-N -1 3 365.433 2.626 20 30 FFEDHM Cc1cccc(O[C@@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000174676036 510244410 /nfs/dbraw/zinc/24/44/10/510244410.db2.gz VAEDVCSYIKSORV-AWEZNQCLSA-N -1 3 367.449 2.688 20 30 FFEDHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cs1 ZINC000184307391 510252098 /nfs/dbraw/zinc/25/20/98/510252098.db2.gz XPBLXOWADHMZQY-UHFFFAOYSA-N -1 3 355.872 2.752 20 30 FFEDHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1 ZINC000181065885 510266561 /nfs/dbraw/zinc/26/65/61/510266561.db2.gz QLFZYJDVCOEPDP-MRXNPFEDSA-N -1 3 368.430 2.753 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@H](O)c1cccc(F)c1 ZINC000269281491 510323317 /nfs/dbraw/zinc/32/33/17/510323317.db2.gz AUZCRPYHRQRTOW-DJJJIMSYSA-N -1 3 371.412 2.586 20 30 FFEDHM O=C([N-]CC(F)F)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000194428954 510359526 /nfs/dbraw/zinc/35/95/26/510359526.db2.gz OKQUMRMDLJAXRG-UHFFFAOYSA-N -1 3 362.201 2.627 20 30 FFEDHM N#C[C@@H]1CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CCO1 ZINC000269402300 510386175 /nfs/dbraw/zinc/38/61/75/510386175.db2.gz DCXAANPARGMGKR-CYBMUJFWSA-N -1 3 352.419 2.788 20 30 FFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187767861 510426354 /nfs/dbraw/zinc/42/63/54/510426354.db2.gz UDOYBFOWKSMJGR-GXTWGEPZSA-N -1 3 372.874 2.726 20 30 FFEDHM COc1ccccc1-c1noc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)n1 ZINC000266365756 510541151 /nfs/dbraw/zinc/54/11/51/510541151.db2.gz UBAFZRBLJUYXMC-PITUFAOZSA-N -1 3 368.393 2.827 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000178510934 510638913 /nfs/dbraw/zinc/63/89/13/510638913.db2.gz PHMDLNMGYYNLEI-UHFFFAOYSA-N -1 3 361.405 2.825 20 30 FFEDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000188286060 510691244 /nfs/dbraw/zinc/69/12/44/510691244.db2.gz LFFVWGYVSCRKQH-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)sc1C ZINC000185206408 510747769 /nfs/dbraw/zinc/74/77/69/510747769.db2.gz QRAQIZCRTCAQAR-UHFFFAOYSA-N -1 3 355.872 2.806 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000175789343 510792401 /nfs/dbraw/zinc/79/24/01/510792401.db2.gz REQIWWXSQPQUCM-UHFFFAOYSA-N -1 3 353.426 2.652 20 30 FFEDHM CC[C@H](C#N)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182275758 510840670 /nfs/dbraw/zinc/84/06/70/510840670.db2.gz VAYFKXRXLVYIOK-AEFFLSMTSA-N -1 3 351.406 2.672 20 30 FFEDHM CC(C)(C#N)CCCCS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000278000604 510977029 /nfs/dbraw/zinc/97/70/29/510977029.db2.gz UYAGACHGJKWSQC-UHFFFAOYSA-N -1 3 365.377 2.836 20 30 FFEDHM CN(C)[C@@]1(CNC(=O)c2cc(Br)ccc2[O-])CCSC1 ZINC000331250030 511055131 /nfs/dbraw/zinc/05/51/31/511055131.db2.gz WJDYEKCTIDUCHJ-CQSZACIVSA-N -1 3 359.289 2.897 20 30 FFEDHM C#C[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(C)(C)C ZINC000288085298 511063964 /nfs/dbraw/zinc/06/39/64/511063964.db2.gz FZSKNWZDWNXDNA-INIZCTEOSA-N -1 3 352.438 2.649 20 30 FFEDHM C=C[C@@](C)(O)CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000289949199 511121225 /nfs/dbraw/zinc/12/12/25/511121225.db2.gz DDIBMNIQEIEGAB-GOSISDBHSA-N -1 3 366.845 2.550 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000294811061 511185321 /nfs/dbraw/zinc/18/53/21/511185321.db2.gz FDVHAUCIZBUGMD-CQSZACIVSA-N -1 3 358.335 2.783 20 30 FFEDHM C=CCN(C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC)C1CC1 ZINC000271434084 511204235 /nfs/dbraw/zinc/20/42/35/511204235.db2.gz SGTHURNZNJYLEU-UHFFFAOYSA-N -1 3 370.453 2.821 20 30 FFEDHM Cc1ncc(CO)c(/C=N/c2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000298679942 511372516 /nfs/dbraw/zinc/37/25/16/511372516.db2.gz WHUFTRRDBKEKEX-MGLPWTSFSA-N -1 3 369.465 2.948 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000272051090 511414284 /nfs/dbraw/zinc/41/42/84/511414284.db2.gz NFGCQBHPAVJVCZ-ZWNOBZJWSA-N -1 3 362.373 2.813 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000272509262 511497140 /nfs/dbraw/zinc/49/71/40/511497140.db2.gz FUCFEZPTQHMPOL-DNVCBOLYSA-N -1 3 365.433 2.871 20 30 FFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000295734700 511499060 /nfs/dbraw/zinc/49/90/60/511499060.db2.gz MYGVXLVLDLHOLT-UWVGGRQHSA-N -1 3 361.236 2.949 20 30 FFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1 ZINC000296038464 511598126 /nfs/dbraw/zinc/59/81/26/511598126.db2.gz AHPDMDMNZNTOAP-UHFFFAOYSA-N -1 3 350.469 2.564 20 30 FFEDHM COc1cc(C(=O)Nc2ncccc2OCCCC#N)cc(OC)c1[O-] ZINC000273919241 511655055 /nfs/dbraw/zinc/65/50/55/511655055.db2.gz FNMKRRMWUHGORW-UHFFFAOYSA-N -1 3 357.366 2.739 20 30 FFEDHM Cc1cccnc1CCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000296434457 511741156 /nfs/dbraw/zinc/74/11/56/511741156.db2.gz MTWPDJAWQVCYTM-UHFFFAOYSA-N -1 3 352.438 2.661 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000310717491 511772923 /nfs/dbraw/zinc/77/29/23/511772923.db2.gz OQTFFNMEFWTZII-UHFFFAOYSA-N -1 3 351.653 2.931 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1nccn1C)c1cc(OC)cc(OC)c1 ZINC000293167899 511866851 /nfs/dbraw/zinc/86/68/51/511866851.db2.gz UZOCYOACLXUOEV-HNNXBMFYSA-N -1 3 365.380 2.854 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cnc3ccccn32)no1 ZINC000350890734 511902497 /nfs/dbraw/zinc/90/24/97/511902497.db2.gz REKZVAWLMKSFAV-UHFFFAOYSA-N -1 3 360.377 2.759 20 30 FFEDHM O=C(CCC1CCOCC1)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000328879616 511945517 /nfs/dbraw/zinc/94/55/17/511945517.db2.gz KCKAGMYDYNBIHJ-UHFFFAOYSA-N -1 3 368.455 2.727 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000284989178 511959162 /nfs/dbraw/zinc/95/91/62/511959162.db2.gz FIIKIUZGSZMBFR-LBPRGKRZSA-N -1 3 363.302 2.514 20 30 FFEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)NC[C@@H](O)C(F)(F)F ZINC000274946042 511994792 /nfs/dbraw/zinc/99/47/92/511994792.db2.gz RIIDUDMDZGYWOH-VXNVDRBHSA-N -1 3 366.208 2.791 20 30 FFEDHM N#Cc1cccc(OC2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)c1 ZINC000282127155 512083206 /nfs/dbraw/zinc/08/32/06/512083206.db2.gz JVPJIWKYMJVZTF-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM N#Cc1cccc(OC2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)c1 ZINC000282127155 512083209 /nfs/dbraw/zinc/08/32/09/512083209.db2.gz JVPJIWKYMJVZTF-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM N#Cc1cccc(OC2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)c1 ZINC000282127155 512083211 /nfs/dbraw/zinc/08/32/11/512083211.db2.gz JVPJIWKYMJVZTF-UHFFFAOYSA-N -1 3 365.368 2.652 20 30 FFEDHM Cc1ccc2[n-]cc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c(=O)c2c1 ZINC000376475177 512834052 /nfs/dbraw/zinc/83/40/52/512834052.db2.gz QKXOZGAXFIIBNK-RXVVDRJESA-N -1 3 365.433 2.904 20 30 FFEDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(C(F)(F)F)c(F)c1 ZINC000439727689 513172148 /nfs/dbraw/zinc/17/21/48/513172148.db2.gz IXBQFUZAAICWFN-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(C(F)(F)F)c(F)c1 ZINC000439727689 513172156 /nfs/dbraw/zinc/17/21/56/513172156.db2.gz IXBQFUZAAICWFN-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)c(F)c1 ZINC000439727689 513172159 /nfs/dbraw/zinc/17/21/59/513172159.db2.gz IXBQFUZAAICWFN-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424965784 513346005 /nfs/dbraw/zinc/34/60/05/513346005.db2.gz GVBAEGJARAMRKK-YLJYHZDGSA-N -1 3 353.397 2.962 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-n4cncn4)c(C)c3)nc1-2 ZINC000429575256 513413645 /nfs/dbraw/zinc/41/36/45/513413645.db2.gz UWZNYJJIJSNXRM-AWEZNQCLSA-N -1 3 357.377 2.646 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)s1 ZINC000435435846 513586268 /nfs/dbraw/zinc/58/62/68/513586268.db2.gz ZZCAFSWTRYVODF-UHFFFAOYSA-N -1 3 354.403 2.908 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)s1 ZINC000435433952 513587107 /nfs/dbraw/zinc/58/71/07/513587107.db2.gz VLGBNXTXCATPBL-AWEZNQCLSA-N -1 3 365.480 2.718 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)s1 ZINC000435441383 513589655 /nfs/dbraw/zinc/58/96/55/513589655.db2.gz FJOGPINGOLFDPL-UHFFFAOYSA-N -1 3 362.354 2.839 20 30 FFEDHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435440426 513590398 /nfs/dbraw/zinc/59/03/98/513590398.db2.gz WPROSAIRTUHMTH-HNNXBMFYSA-N -1 3 364.492 2.936 20 30 FFEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccco1 ZINC000451326398 513677737 /nfs/dbraw/zinc/67/77/37/513677737.db2.gz CNQVFJVQDLXRFI-KRWDZBQOSA-N -1 3 360.435 2.991 20 30 FFEDHM CO[C@H](CC[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000451449763 513757067 /nfs/dbraw/zinc/75/70/67/513757067.db2.gz XZQNOKHJCIBAJS-GFCCVEGCSA-N -1 3 370.780 2.652 20 30 FFEDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C12CCC2 ZINC000416556243 513832278 /nfs/dbraw/zinc/83/22/78/513832278.db2.gz FMPHIPKTKFBBHX-KBPBESRZSA-N -1 3 374.384 2.813 20 30 FFEDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C12CCC2 ZINC000416556246 513833066 /nfs/dbraw/zinc/83/30/66/513833066.db2.gz FMPHIPKTKFBBHX-UONOGXRCSA-N -1 3 374.384 2.813 20 30 FFEDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCC(C)CC1 ZINC000443005061 513840556 /nfs/dbraw/zinc/84/05/56/513840556.db2.gz FJXRRFPZIUGXNI-UHFFFAOYSA-N -1 3 370.858 2.612 20 30 FFEDHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccc1 ZINC000443022128 513845139 /nfs/dbraw/zinc/84/51/39/513845139.db2.gz OYZDEUHBRPVTLR-KRWDZBQOSA-N -1 3 372.446 2.840 20 30 FFEDHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000443027774 513846724 /nfs/dbraw/zinc/84/67/24/513846724.db2.gz ZYZSTRWHRVQAOP-MRXNPFEDSA-N -1 3 358.419 2.531 20 30 FFEDHM COC(=O)c1ncccc1S(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC000451583457 513847810 /nfs/dbraw/zinc/84/78/10/513847810.db2.gz YLGZTTSJEQVGDX-HNNXBMFYSA-N -1 3 373.434 2.582 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2C#N)c(=O)[nH]1 ZINC000436477884 513866968 /nfs/dbraw/zinc/86/69/68/513866968.db2.gz NNZASLIGSKRMAH-UHFFFAOYSA-N -1 3 368.212 2.531 20 30 FFEDHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443109246 513873736 /nfs/dbraw/zinc/87/37/36/513873736.db2.gz OYLHZVFLMRGKNH-IBGZPJMESA-N -1 3 365.433 2.839 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H](O)C(C)C ZINC000416626782 513875517 /nfs/dbraw/zinc/87/55/17/513875517.db2.gz QJTYCGDHFPGMRV-GXTWGEPZSA-N -1 3 364.389 2.651 20 30 FFEDHM C[C@@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443124795 513878998 /nfs/dbraw/zinc/87/89/98/513878998.db2.gz CDOYOCGUFVOBCH-OLZOCXBDSA-N -1 3 351.428 2.961 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000416672608 513900741 /nfs/dbraw/zinc/90/07/41/513900741.db2.gz RNLRJSYCZIMDAS-LBPRGKRZSA-N -1 3 372.874 2.726 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(CO)c2)c(C(F)(F)F)c1 ZINC000443217259 513903814 /nfs/dbraw/zinc/90/38/14/513903814.db2.gz CMJBAQGTMZHMNV-UHFFFAOYSA-N -1 3 370.352 2.548 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436675346 513939112 /nfs/dbraw/zinc/93/91/12/513939112.db2.gz URODNPOPUBTAFM-LLVKDONJSA-N -1 3 356.382 2.563 20 30 FFEDHM Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436766574 513972235 /nfs/dbraw/zinc/97/22/35/513972235.db2.gz DFMIJFGYQQFIEX-UHFFFAOYSA-N -1 3 360.377 2.759 20 30 FFEDHM C=CCOc1ccc(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436822251 513996334 /nfs/dbraw/zinc/99/63/34/513996334.db2.gz OARCZIUYCKIOJM-UHFFFAOYSA-N -1 3 368.433 2.702 20 30 FFEDHM N#Cc1cnc2ccccc2c1NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436941611 514043002 /nfs/dbraw/zinc/04/30/02/514043002.db2.gz FMYMIOSAGGJBHV-UHFFFAOYSA-N -1 3 372.428 2.951 20 30 FFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000451898973 514054423 /nfs/dbraw/zinc/05/44/23/514054423.db2.gz JYWXLEIEPGPEMK-ZJUUUORDSA-N -1 3 369.336 2.736 20 30 FFEDHM N#CCN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CC1 ZINC000444039851 514106061 /nfs/dbraw/zinc/10/60/61/514106061.db2.gz YZCUKLMUKFIVCN-UHFFFAOYSA-N -1 3 351.284 2.555 20 30 FFEDHM CCO[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000444973504 514380197 /nfs/dbraw/zinc/38/01/97/514380197.db2.gz FCZTYYFZDJJSNQ-SFHVURJKSA-N -1 3 362.426 2.895 20 30 FFEDHM CCOC[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(=O)[O-] ZINC000417611434 514437104 /nfs/dbraw/zinc/43/71/04/514437104.db2.gz VXLXGJGWIMVEIB-IBGZPJMESA-N -1 3 354.406 2.717 20 30 FFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Br)c2c(c1)OCCO2 ZINC000417622938 514439942 /nfs/dbraw/zinc/43/99/42/514439942.db2.gz IECMKNFOHWRIAC-NSHDSACASA-N -1 3 356.216 2.729 20 30 FFEDHM Cc1noc(C[C@@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccccc2)n1 ZINC000428388459 514463881 /nfs/dbraw/zinc/46/38/81/514463881.db2.gz WIHMXAGHLGAODA-MRXNPFEDSA-N -1 3 368.418 2.512 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(C)C)[C@H](CO)C(C)C ZINC000452930738 514561977 /nfs/dbraw/zinc/56/19/77/514561977.db2.gz OUHULKIDPPMAFE-IEBWSBKVSA-N -1 3 361.486 2.614 20 30 FFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000508070561 514653657 /nfs/dbraw/zinc/65/36/57/514653657.db2.gz XBBCSMHKVIGVTN-CYBMUJFWSA-N -1 3 351.255 2.732 20 30 FFEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc([O-])ccc3Cl)C2=O)cc1 ZINC000498695392 515028244 /nfs/dbraw/zinc/02/82/44/515028244.db2.gz NCCJXYJOVGGLJQ-QGZVFWFLSA-N -1 3 369.808 2.843 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)c(Cl)c1 ZINC000503455258 515041390 /nfs/dbraw/zinc/04/13/90/515041390.db2.gz JLZPOROJUQMMQN-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM C=C1CCN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000472026510 515088354 /nfs/dbraw/zinc/08/83/54/515088354.db2.gz UXMNEXRIHOLDIT-UHFFFAOYSA-N -1 3 362.373 2.869 20 30 FFEDHM N#Cc1ccc(NCC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1 ZINC000467721815 515096128 /nfs/dbraw/zinc/09/61/28/515096128.db2.gz WBKSOVGAANROLY-UHFFFAOYSA-N -1 3 353.332 2.699 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1(CO)CCC1 ZINC000490115555 515109888 /nfs/dbraw/zinc/10/98/88/515109888.db2.gz WKGFBWIHXUQZLZ-OAHLLOKOSA-N -1 3 356.875 2.677 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1N(C)C ZINC000499019944 515168110 /nfs/dbraw/zinc/16/81/10/515168110.db2.gz NQGUHAONPJECNL-UHFFFAOYSA-N -1 3 352.438 2.591 20 30 FFEDHM N#Cc1cscc1C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000490962742 515343660 /nfs/dbraw/zinc/34/36/60/515343660.db2.gz FNWVBXMOZAHWCT-UHFFFAOYSA-N -1 3 355.419 2.816 20 30 FFEDHM C=C(CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000486342592 515445160 /nfs/dbraw/zinc/44/51/60/515445160.db2.gz HLFRRBMBYQZRLU-UHFFFAOYSA-N -1 3 363.414 2.569 20 30 FFEDHM COC(=O)c1cc(C)cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000459305952 515459729 /nfs/dbraw/zinc/45/97/29/515459729.db2.gz ICMCPEHCNAQNBX-OAHLLOKOSA-N -1 3 352.394 2.590 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-]C1(c2noc([C@@H]3CCOC3)n2)CCCCCC1 ZINC000477454885 515463896 /nfs/dbraw/zinc/46/38/96/515463896.db2.gz QVTNSEHJBZJCIP-CQSZACIVSA-N -1 3 369.487 2.619 20 30 FFEDHM C=C(C)CS(=O)(=O)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000477463072 515465515 /nfs/dbraw/zinc/46/55/15/515465515.db2.gz NJAPSSOUBGJRAH-AWEZNQCLSA-N -1 3 369.487 2.966 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc1 ZINC000499932562 515520218 /nfs/dbraw/zinc/52/02/18/515520218.db2.gz TWYLFIVBCKKECJ-HNNXBMFYSA-N -1 3 363.826 2.706 20 30 FFEDHM CC[C@@]([N-]S(=O)(=O)c1ccc(C#N)cc1C)(C(=O)OC)c1ccccc1 ZINC000510504081 515559588 /nfs/dbraw/zinc/55/95/88/515559588.db2.gz XKVVSBZLXMBNAX-IBGZPJMESA-N -1 3 372.446 2.624 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493876973 515673561 /nfs/dbraw/zinc/67/35/61/515673561.db2.gz XYQYNZAZFCJHPY-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM N#CC(=C([O-])c1cncc(N2CCOCC2)c1)c1nccc2ccccc21 ZINC000483234895 515998001 /nfs/dbraw/zinc/99/80/01/515998001.db2.gz KXAYKPQJLZLIBT-LJQANCHMSA-N -1 3 358.401 2.956 20 30 FFEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C1CN(CC(F)F)C1 ZINC000469880673 516013241 /nfs/dbraw/zinc/01/32/41/516013241.db2.gz MDXDGYXJAFWVCS-GFCCVEGCSA-N -1 3 358.257 2.881 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(N4CC[C@H](C)C4)c3)nc1-2 ZINC000547488440 516369336 /nfs/dbraw/zinc/36/93/36/516369336.db2.gz HNLDSSHSFRIQAV-SWLSCSKDSA-N -1 3 360.421 2.998 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CCC1 ZINC000547785607 516561861 /nfs/dbraw/zinc/56/18/61/516561861.db2.gz WZSZEYDVNUWKKJ-JKSUJKDBSA-N -1 3 352.431 2.659 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)CCC(C)(C)C#N)CCCCCC2)no1 ZINC000554892050 516683845 /nfs/dbraw/zinc/68/38/45/516683845.db2.gz JYRQXLHEDJJQFH-UHFFFAOYSA-N -1 3 354.476 2.787 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(OCC(F)F)c3)nc1-2 ZINC000536241950 516694583 /nfs/dbraw/zinc/69/45/83/516694583.db2.gz ZMQSHPLXBKZWMT-NSHDSACASA-N -1 3 357.320 2.795 20 30 FFEDHM C=CCNC(=O)c1ccc(NC(=O)c2[n-]nc3c2cccc3OC)cc1 ZINC000558405104 516724021 /nfs/dbraw/zinc/72/40/21/516724021.db2.gz OUGQETREIAWESD-UHFFFAOYSA-N -1 3 350.378 2.740 20 30 FFEDHM C=CCNC(=O)c1ccc(NC(=O)c2n[n-]c3c2cccc3OC)cc1 ZINC000558405104 516724027 /nfs/dbraw/zinc/72/40/27/516724027.db2.gz OUGQETREIAWESD-UHFFFAOYSA-N -1 3 350.378 2.740 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnnn1Cc1ccccc1 ZINC000513736716 516735820 /nfs/dbraw/zinc/73/58/20/516735820.db2.gz JSWZRKJADBHNFM-OAHLLOKOSA-N -1 3 356.389 2.703 20 30 FFEDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000536607742 516851205 /nfs/dbraw/zinc/85/12/05/516851205.db2.gz KRVZGUZICGRFRS-UHFFFAOYSA-N -1 3 363.414 2.748 20 30 FFEDHM C=CCCCCCN(C)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000525317774 517007501 /nfs/dbraw/zinc/00/75/01/517007501.db2.gz IYKFXFWLSUSAIE-HXUWFJFHSA-N -1 3 372.469 2.629 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532711409 517108994 /nfs/dbraw/zinc/10/89/94/517108994.db2.gz AULNYCZTIIWMCV-HUUCEWRRSA-N -1 3 350.484 2.838 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCn2ccnc2)c(C(F)(F)F)c1 ZINC000541871341 517266088 /nfs/dbraw/zinc/26/60/88/517266088.db2.gz IMWQEPWJKMQMGE-UHFFFAOYSA-N -1 3 372.372 2.532 20 30 FFEDHM CCc1ccc([O-])c(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000537638026 517273128 /nfs/dbraw/zinc/27/31/28/517273128.db2.gz FESVBRYUVPWWRZ-HNNXBMFYSA-N -1 3 370.405 2.975 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000515357179 517315806 /nfs/dbraw/zinc/31/58/06/517315806.db2.gz HGUDFVAIZBKFBH-KRWDZBQOSA-N -1 3 352.369 2.729 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000538283807 517539804 /nfs/dbraw/zinc/53/98/04/517539804.db2.gz PTXGYSSOMYYCAS-APPDUMDISA-N -1 3 366.389 2.891 20 30 FFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000553263049 517608843 /nfs/dbraw/zinc/60/88/43/517608843.db2.gz ATSGEEVRVBQAJT-UHFFFAOYSA-N -1 3 371.249 2.650 20 30 FFEDHM C=CCN(Cc1nc(C)ccc1[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732786 517752776 /nfs/dbraw/zinc/75/27/76/517752776.db2.gz SBEBNMCXFVVERE-OAHLLOKOSA-N -1 3 350.426 2.821 20 30 FFEDHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccco1 ZINC000560473349 517828877 /nfs/dbraw/zinc/82/88/77/517828877.db2.gz GLOZEHKYDZAGKU-IUODEOHRSA-N -1 3 365.430 2.698 20 30 FFEDHM Cc1cc([C@@H](C#N)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)nc(C)n1 ZINC000539198597 517945942 /nfs/dbraw/zinc/94/59/42/517945942.db2.gz RRWBACOTIYOGDM-MRXNPFEDSA-N -1 3 374.404 2.810 20 30 FFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1cccs1 ZINC000563573071 517992815 /nfs/dbraw/zinc/99/28/15/517992815.db2.gz SHVBRRPLMCKBBC-AWEZNQCLSA-N -1 3 356.513 2.811 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)CCCC1 ZINC000517072544 518013558 /nfs/dbraw/zinc/01/35/58/518013558.db2.gz XIKPFFJJDVPFEN-HNNXBMFYSA-N -1 3 368.524 2.955 20 30 FFEDHM N#Cc1ccc2c(c1)N(C(=O)c1c[n-]nc1-c1ccc3c(c1)OCO3)CC2 ZINC000563774057 518117642 /nfs/dbraw/zinc/11/76/42/518117642.db2.gz MXRPHGMMGKSSNG-UHFFFAOYSA-N -1 3 358.357 2.880 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)c2cccc(Br)c2[O-])CC1 ZINC000517370103 518130000 /nfs/dbraw/zinc/13/00/00/518130000.db2.gz HKVDYEDRHNYRMR-UHFFFAOYSA-N -1 3 353.260 2.925 20 30 FFEDHM CN(C)C(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1Cl ZINC000565053399 518763510 /nfs/dbraw/zinc/76/35/10/518763510.db2.gz IANLPDRWBHRAOB-UHFFFAOYSA-N -1 3 357.863 2.723 20 30 FFEDHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000589300710 518975550 /nfs/dbraw/zinc/97/55/50/518975550.db2.gz UIZQEVJTNBHQMG-UHFFFAOYSA-N -1 3 372.812 2.745 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CC1(C#N)CC1 ZINC000590220477 519177071 /nfs/dbraw/zinc/17/70/71/519177071.db2.gz CVPKOGCGQCNGFQ-UHFFFAOYSA-N -1 3 361.345 2.709 20 30 FFEDHM N#CC1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000590487451 519245649 /nfs/dbraw/zinc/24/56/49/519245649.db2.gz KSFXAMMQPRVVGB-UHFFFAOYSA-N -1 3 366.602 2.540 20 30 FFEDHM N#CC1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000590487451 519245654 /nfs/dbraw/zinc/24/56/54/519245654.db2.gz KSFXAMMQPRVVGB-UHFFFAOYSA-N -1 3 366.602 2.540 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000574973901 519432147 /nfs/dbraw/zinc/43/21/47/519432147.db2.gz DVYSBENUVMSHIX-JIMOISOXSA-N -1 3 355.257 2.788 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2CSc3ccccc3O2)CCCC1 ZINC000578129517 519433892 /nfs/dbraw/zinc/43/38/92/519433892.db2.gz KDCRNALGGZBEKF-CYBMUJFWSA-N -1 3 352.481 2.543 20 30 FFEDHM C=CCc1cc(CNC(=O)N=c2cc3ccccn3[n-]2)cc(OC)c1OC ZINC000575082936 519490737 /nfs/dbraw/zinc/49/07/37/519490737.db2.gz IBEUSZISROKFSW-UHFFFAOYSA-N -1 3 366.421 2.824 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2ccc(C#N)o2)ccc1F ZINC000566714056 519619578 /nfs/dbraw/zinc/61/95/78/519619578.db2.gz YXWCHWZNUARCPO-UHFFFAOYSA-N -1 3 351.403 2.979 20 30 FFEDHM CCCCOc1ccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c([O-])c1 ZINC000616169529 519930346 /nfs/dbraw/zinc/93/03/46/519930346.db2.gz FMDIHUZSRGEZIH-SFHVURJKSA-N -1 3 359.470 2.877 20 30 FFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594486846 519996685 /nfs/dbraw/zinc/99/66/85/519996685.db2.gz JQOBMVFNUHLOHV-TZMCWYRMSA-N -1 3 362.373 2.645 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ncco2)CC1 ZINC000600069067 520029103 /nfs/dbraw/zinc/02/91/03/520029103.db2.gz OJIVWGOHBPBXOH-UHFFFAOYSA-N -1 3 354.410 2.603 20 30 FFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000612620414 520054111 /nfs/dbraw/zinc/05/41/11/520054111.db2.gz KTCKAWWVBXAVDJ-GFCCVEGCSA-N -1 3 373.272 2.601 20 30 FFEDHM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594766289 520143993 /nfs/dbraw/zinc/14/39/93/520143993.db2.gz HIILURVWBMXIDB-ITDFMYJTSA-N -1 3 350.465 2.687 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)O ZINC000594778868 520152193 /nfs/dbraw/zinc/15/21/93/520152193.db2.gz CIIQMWCJSDUSJD-JTQLQIEISA-N -1 3 352.481 2.909 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1COCC1(C)C ZINC000594780450 520154047 /nfs/dbraw/zinc/15/40/47/520154047.db2.gz LMHFDPMVNUWRHN-CQSZACIVSA-N -1 3 350.465 2.785 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000594783130 520155855 /nfs/dbraw/zinc/15/58/55/520155855.db2.gz GGMREOBHRCEVHC-KGLIPLIRSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@H](C)n2ncnc21 ZINC000594810523 520168295 /nfs/dbraw/zinc/16/82/95/520168295.db2.gz UVRHDESCPVABFW-TVQRCGJNSA-N -1 3 373.463 2.657 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CCCC1 ZINC000594868453 520198736 /nfs/dbraw/zinc/19/87/36/520198736.db2.gz KGDNEDYTZNXTRY-UHFFFAOYSA-N -1 3 368.411 2.549 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000617036095 520295081 /nfs/dbraw/zinc/29/50/81/520295081.db2.gz ZDFOJBJMLSRNLB-GOEBONIOSA-N -1 3 368.474 2.745 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000617036694 520296292 /nfs/dbraw/zinc/29/62/92/520296292.db2.gz DBANPKFFUYOJMF-MCIONIFRSA-N -1 3 356.513 2.666 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1)C(C)C ZINC000592353138 520345595 /nfs/dbraw/zinc/34/55/95/520345595.db2.gz YQGZBRDQBOFYNR-CYBMUJFWSA-N -1 3 366.361 2.870 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)CCCC2CCOCC2)c(C#N)cc1N(C)C ZINC000592384316 520361123 /nfs/dbraw/zinc/36/11/23/520361123.db2.gz QHICUIZGTQXOOT-UHFFFAOYSA-N -1 3 365.499 2.881 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-][C@H](C#N)C1CCCCC1)c1ccc(F)cc1 ZINC000600667427 520385422 /nfs/dbraw/zinc/38/54/22/520385422.db2.gz CSUIMOULDFCUTP-SJORKVTESA-N -1 3 354.447 2.905 20 30 FFEDHM C[C@@H](C#N)N(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC000598130468 520444886 /nfs/dbraw/zinc/44/48/86/520444886.db2.gz DYKVXZABZYMDOG-VIFPVBQESA-N -1 3 360.211 2.807 20 30 FFEDHM C[C@@H](C#N)N(C(=O)c1cnc2ccc(Br)cc2c1[O-])C1CC1 ZINC000598130468 520444892 /nfs/dbraw/zinc/44/48/92/520444892.db2.gz DYKVXZABZYMDOG-VIFPVBQESA-N -1 3 360.211 2.807 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2cc(F)ccc2C1 ZINC000600804810 520478281 /nfs/dbraw/zinc/47/82/81/520478281.db2.gz MDHWEAAJELOUIZ-UHFFFAOYSA-N -1 3 369.396 2.769 20 30 FFEDHM N#Cc1ccccc1COc1cccc(CN[C@H](C(=O)[O-])[C@@H]2CCCO2)c1 ZINC000600943221 520551156 /nfs/dbraw/zinc/55/11/56/520551156.db2.gz VANHVDUMVPCJQN-PMACEKPBSA-N -1 3 366.417 2.859 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598543691 520691734 /nfs/dbraw/zinc/69/17/34/520691734.db2.gz WUEVRFNRANUBTH-OYRHEFFESA-N -1 3 369.465 2.628 20 30 FFEDHM CC(C)OCCS(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610509534 520720410 /nfs/dbraw/zinc/72/04/10/520720410.db2.gz LRMLFGYPBUOVOR-UHFFFAOYSA-N -1 3 361.423 2.912 20 30 FFEDHM Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000601376650 520764455 /nfs/dbraw/zinc/76/44/55/520764455.db2.gz NEAWHKSZQGMOIP-ZDUSSCGKSA-N -1 3 372.372 2.762 20 30 FFEDHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1 ZINC000593203377 520824804 /nfs/dbraw/zinc/82/48/04/520824804.db2.gz AULKSDUUICOUNG-UHFFFAOYSA-N -1 3 360.435 2.660 20 30 FFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000593276109 520875638 /nfs/dbraw/zinc/87/56/38/520875638.db2.gz NKHLWESUHRKBCO-JTQLQIEISA-N -1 3 356.245 2.537 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000593278811 520876707 /nfs/dbraw/zinc/87/67/07/520876707.db2.gz AKBVOVKFIWKWGJ-SNVBAGLBSA-N -1 3 369.331 2.743 20 30 FFEDHM Cc1ccc(CCC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000611013144 520946981 /nfs/dbraw/zinc/94/69/81/520946981.db2.gz ZOOZEOLGJYBGFW-UHFFFAOYSA-N -1 3 373.434 2.994 20 30 FFEDHM N#C[C@@]1(F)CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000618244038 520960358 /nfs/dbraw/zinc/96/03/58/520960358.db2.gz AIVWJSPIVGTEHO-HNNXBMFYSA-N -1 3 369.274 2.504 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)Oc1ccccc1F ZINC000593560366 521076844 /nfs/dbraw/zinc/07/68/44/521076844.db2.gz FCYMQNPLCBUHNI-NSHDSACASA-N -1 3 354.428 2.895 20 30 FFEDHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccco1 ZINC000593597571 521099482 /nfs/dbraw/zinc/09/94/82/521099482.db2.gz AOLZIRQKUJDDSY-NWDGAFQWSA-N -1 3 353.469 2.620 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CCCC1 ZINC000593619578 521111599 /nfs/dbraw/zinc/11/15/99/521111599.db2.gz CIFMELXRURQNQC-UHFFFAOYSA-N -1 3 361.236 2.950 20 30 FFEDHM CCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)CC(C)C ZINC000593627261 521117627 /nfs/dbraw/zinc/11/76/27/521117627.db2.gz BMDZCDMWCCYHKR-LBPRGKRZSA-N -1 3 358.485 2.514 20 30 FFEDHM CCN=c1[n-]c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC000602179507 521192369 /nfs/dbraw/zinc/19/23/69/521192369.db2.gz GTMSDSLDBONYKT-UHFFFAOYSA-N -1 3 355.467 2.585 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000593787366 521213706 /nfs/dbraw/zinc/21/37/06/521213706.db2.gz IEPVNDAKCIQHGP-YJYMSZOUSA-N -1 3 371.412 2.586 20 30 FFEDHM N#Cc1cccc(CN2CCC(NC(=O)Cc3ccc([O-])c(F)c3)CC2)c1 ZINC000593885622 521272086 /nfs/dbraw/zinc/27/20/86/521272086.db2.gz HJZZPIWJIGACER-UHFFFAOYSA-N -1 3 367.424 2.726 20 30 FFEDHM COc1cc2[n-]cc(C(=O)N[C@@H](C#N)C3CCCCC3)c(=O)c2c(OC)c1 ZINC000599632684 521344280 /nfs/dbraw/zinc/34/42/80/521344280.db2.gz AWQRMKVKUCISOW-INIZCTEOSA-N -1 3 369.421 2.748 20 30 FFEDHM COc1cc2ncc(C(=O)N[C@@H](C#N)C3CCCCC3)c([O-])c2c(OC)c1 ZINC000599632684 521344286 /nfs/dbraw/zinc/34/42/86/521344286.db2.gz AWQRMKVKUCISOW-INIZCTEOSA-N -1 3 369.421 2.748 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000615451880 521408925 /nfs/dbraw/zinc/40/89/25/521408925.db2.gz KNVJJQRPHXYWMQ-LLVKDONJSA-N -1 3 364.448 2.754 20 30 FFEDHM N#Cc1cc(C(=O)Nc2cc(I)ccc2[O-])ccn1 ZINC000619441173 521568528 /nfs/dbraw/zinc/56/85/28/521568528.db2.gz INJIRGOALCKRJE-UHFFFAOYSA-N -1 3 365.130 2.516 20 30 FFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccnn1C ZINC000615947078 521585746 /nfs/dbraw/zinc/58/57/46/521585746.db2.gz NHENRRKLVXYWEA-CYBMUJFWSA-N -1 3 366.874 2.663 20 30 FFEDHM C=CCn1c(CC(C)(C)C)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634341045 523357574 /nfs/dbraw/zinc/35/75/74/523357574.db2.gz JIUXJSKWTMWWFH-UHFFFAOYSA-N -1 3 357.506 2.681 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000625548160 523524804 /nfs/dbraw/zinc/52/48/04/523524804.db2.gz DWFAEUQEUYGEEO-UHFFFAOYSA-N -1 3 361.250 2.789 20 30 FFEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)CCOCC2CCC2)cc1 ZINC000634785836 523649709 /nfs/dbraw/zinc/64/97/09/523649709.db2.gz BSFFYVNRGYUOGD-UHFFFAOYSA-N -1 3 367.471 2.553 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2nc3ccccc3s2)ccc1-c1nnn[n-]1 ZINC000737703306 598915826 /nfs/dbraw/zinc/91/58/26/598915826.db2.gz BDKZHSOYPJGGGC-FPLPWBNLSA-N -1 3 373.401 3.000 20 30 FFEDHM N#Cc1cc(NC(=O)C=Cc2nc3ccccc3s2)ccc1-c1nn[n-]n1 ZINC000737703306 598915827 /nfs/dbraw/zinc/91/58/27/598915827.db2.gz BDKZHSOYPJGGGC-FPLPWBNLSA-N -1 3 373.401 3.000 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737716665 598915847 /nfs/dbraw/zinc/91/58/47/598915847.db2.gz TWZYRIBZPCKNMM-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737716665 598915848 /nfs/dbraw/zinc/91/58/48/598915848.db2.gz TWZYRIBZPCKNMM-UHFFFAOYSA-N -1 3 352.785 2.963 20 30 FFEDHM N#Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737716282 598920001 /nfs/dbraw/zinc/92/00/01/598920001.db2.gz ONSHMUVXPWEVKF-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM N#Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737716282 598920002 /nfs/dbraw/zinc/92/00/02/598920002.db2.gz ONSHMUVXPWEVKF-UHFFFAOYSA-N -1 3 354.370 2.608 20 30 FFEDHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737470268 598920399 /nfs/dbraw/zinc/92/03/99/598920399.db2.gz GSGPOTWPSXRAFY-UHFFFAOYSA-N -1 3 373.298 2.713 20 30 FFEDHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737470268 598920400 /nfs/dbraw/zinc/92/04/00/598920400.db2.gz GSGPOTWPSXRAFY-UHFFFAOYSA-N -1 3 373.298 2.713 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1-c1nnn[n-]1 ZINC000737710195 598922048 /nfs/dbraw/zinc/92/20/48/598922048.db2.gz VFXFLQJEHPHVJB-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1-c1nn[n-]n1 ZINC000737710195 598922050 /nfs/dbraw/zinc/92/20/50/598922050.db2.gz VFXFLQJEHPHVJB-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM CCn1cc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2ccccc21 ZINC000736721691 598929641 /nfs/dbraw/zinc/92/96/41/598929641.db2.gz IPCMZXLDKIIEAU-UHFFFAOYSA-N -1 3 371.404 2.894 20 30 FFEDHM CCn1cc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2ccccc21 ZINC000736721691 598929643 /nfs/dbraw/zinc/92/96/43/598929643.db2.gz IPCMZXLDKIIEAU-UHFFFAOYSA-N -1 3 371.404 2.894 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCOC1CCCCCC1 ZINC000737705983 598938917 /nfs/dbraw/zinc/93/89/17/598938917.db2.gz SACQFKORYUOCPT-UHFFFAOYSA-N -1 3 359.459 2.547 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCOC1CCCCCC1 ZINC000737705983 598938919 /nfs/dbraw/zinc/93/89/19/598938919.db2.gz SACQFKORYUOCPT-UHFFFAOYSA-N -1 3 359.459 2.547 20 30 FFEDHM Cc1c(C#N)cccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822015415 607257417 /nfs/dbraw/zinc/25/74/17/607257417.db2.gz JFHNKAIWMUQMRW-UHFFFAOYSA-N -1 3 367.800 2.751 20 30 FFEDHM Cc1c(C#N)cccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822015415 607257418 /nfs/dbraw/zinc/25/74/18/607257418.db2.gz JFHNKAIWMUQMRW-UHFFFAOYSA-N -1 3 367.800 2.751 20 30 FFEDHM COc1ccc(C=NNCc2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC000737081687 599128648 /nfs/dbraw/zinc/12/86/48/599128648.db2.gz RKAHDPQQFMJRTF-UHFFFAOYSA-N -1 3 359.393 2.547 20 30 FFEDHM COc1ccc(C=NNCc2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC000737081687 599128650 /nfs/dbraw/zinc/12/86/50/599128650.db2.gz RKAHDPQQFMJRTF-UHFFFAOYSA-N -1 3 359.393 2.547 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000736189125 599165407 /nfs/dbraw/zinc/16/54/07/599165407.db2.gz ASGDPMYBIWYHPH-QFYYESIMSA-N -1 3 362.434 2.541 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000736189125 599165409 /nfs/dbraw/zinc/16/54/09/599165409.db2.gz ASGDPMYBIWYHPH-QFYYESIMSA-N -1 3 362.434 2.541 20 30 FFEDHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736059849 599195036 /nfs/dbraw/zinc/19/50/36/599195036.db2.gz WQQIQBWLAHYSRE-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736059849 599195039 /nfs/dbraw/zinc/19/50/39/599195039.db2.gz WQQIQBWLAHYSRE-NSHDSACASA-N -1 3 350.357 2.695 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1-c1nnn[n-]1 ZINC000737706749 599198012 /nfs/dbraw/zinc/19/80/12/599198012.db2.gz YUZKKEGTGOIXIX-KBPBESRZSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1-c1nn[n-]n1 ZINC000737706749 599198015 /nfs/dbraw/zinc/19/80/15/599198015.db2.gz YUZKKEGTGOIXIX-KBPBESRZSA-N -1 3 366.331 2.759 20 30 FFEDHM Cc1c(NC(=O)CSCc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822077503 607267416 /nfs/dbraw/zinc/26/74/16/607267416.db2.gz VVNLGYOWVBRUDV-UHFFFAOYSA-N -1 3 364.434 2.919 20 30 FFEDHM Cc1c(NC(=O)CSCc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822077503 607267417 /nfs/dbraw/zinc/26/74/17/607267417.db2.gz VVNLGYOWVBRUDV-UHFFFAOYSA-N -1 3 364.434 2.919 20 30 FFEDHM C#CCCCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735375063 598412512 /nfs/dbraw/zinc/41/25/12/598412512.db2.gz IZQFEPDYVUZRPI-UHFFFAOYSA-N -1 3 352.350 2.609 20 30 FFEDHM C#CCCCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735375063 598412514 /nfs/dbraw/zinc/41/25/14/598412514.db2.gz IZQFEPDYVUZRPI-UHFFFAOYSA-N -1 3 352.350 2.609 20 30 FFEDHM C=CCN(CC(=O)OCc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735416051 598505364 /nfs/dbraw/zinc/50/53/64/598505364.db2.gz CABSSDBBBKHTFV-UHFFFAOYSA-N -1 3 363.421 2.598 20 30 FFEDHM C=CCN(CC(=O)OCc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735416051 598505366 /nfs/dbraw/zinc/50/53/66/598505366.db2.gz CABSSDBBBKHTFV-UHFFFAOYSA-N -1 3 363.421 2.598 20 30 FFEDHM Cc1cc(C(=O)N(C)C[C@@H](C)C#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227025 598611951 /nfs/dbraw/zinc/61/19/51/598611951.db2.gz HCYZFCROSAIKJS-LBPRGKRZSA-N -1 3 363.425 2.506 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736823279 598624211 /nfs/dbraw/zinc/62/42/11/598624211.db2.gz UQRDGSQMUDIMKY-UHFFFAOYSA-N -1 3 351.345 2.541 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736823279 598624212 /nfs/dbraw/zinc/62/42/12/598624212.db2.gz UQRDGSQMUDIMKY-UHFFFAOYSA-N -1 3 351.345 2.541 20 30 FFEDHM N#Cc1ccsc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737728840 598647471 /nfs/dbraw/zinc/64/74/71/598647471.db2.gz XBKZDMYEBBKZJU-UHFFFAOYSA-N -1 3 368.422 2.988 20 30 FFEDHM N#Cc1ccsc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737728840 598647472 /nfs/dbraw/zinc/64/74/72/598647472.db2.gz XBKZDMYEBBKZJU-UHFFFAOYSA-N -1 3 368.422 2.988 20 30 FFEDHM Cc1cc(C(=O)N[C@H](C#N)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232781 598692070 /nfs/dbraw/zinc/69/20/70/598692070.db2.gz CYNZVCBKGWMRLU-QGZVFWFLSA-N -1 3 363.425 2.552 20 30 FFEDHM C=CCOCC(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735437856 598816933 /nfs/dbraw/zinc/81/69/33/598816933.db2.gz RQWWOHVMHHEQKH-UHFFFAOYSA-N -1 3 365.393 2.587 20 30 FFEDHM C=CCOCC(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735437856 598816935 /nfs/dbraw/zinc/81/69/35/598816935.db2.gz RQWWOHVMHHEQKH-UHFFFAOYSA-N -1 3 365.393 2.587 20 30 FFEDHM C#CCOc1cc(F)ccc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735380878 599329903 /nfs/dbraw/zinc/32/99/03/599329903.db2.gz NFNNEWVHUJODRL-UHFFFAOYSA-N -1 3 367.384 2.899 20 30 FFEDHM C=CCOc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819758616 599387995 /nfs/dbraw/zinc/38/79/95/599387995.db2.gz BTCVGBGUWDYJPH-ZDUSSCGKSA-N -1 3 365.393 2.838 20 30 FFEDHM C=CCOc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819758616 599387998 /nfs/dbraw/zinc/38/79/98/599387998.db2.gz BTCVGBGUWDYJPH-ZDUSSCGKSA-N -1 3 365.393 2.838 20 30 FFEDHM Cc1cc(C)c2c(c1)OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737249279 599462927 /nfs/dbraw/zinc/46/29/27/599462927.db2.gz VLERIEKUYVNJQG-AUWJEWJLSA-N -1 3 372.388 2.790 20 30 FFEDHM Cc1cc(C)c2c(c1)OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737249279 599462930 /nfs/dbraw/zinc/46/29/30/599462930.db2.gz VLERIEKUYVNJQG-AUWJEWJLSA-N -1 3 372.388 2.790 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735506916 599563900 /nfs/dbraw/zinc/56/39/00/599563900.db2.gz YGNYPSGKSMPKMA-ZDUSSCGKSA-N -1 3 361.409 2.842 20 30 FFEDHM N#CCN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000737692497 599565559 /nfs/dbraw/zinc/56/55/59/599565559.db2.gz HKOJYBUTTNWCPW-UHFFFAOYSA-N -1 3 359.393 2.738 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000819759055 607411173 /nfs/dbraw/zinc/41/11/73/607411173.db2.gz MWKGBOBAJGHQHL-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000819759055 607411174 /nfs/dbraw/zinc/41/11/74/607411174.db2.gz MWKGBOBAJGHQHL-UHFFFAOYSA-N -1 3 366.377 2.797 20 30 FFEDHM CC(C)(CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)NC(=O)[O-] ZINC000738728596 603160041 /nfs/dbraw/zinc/16/00/41/603160041.db2.gz BQFFOZBRMMNMLG-VIFPVBQESA-N -1 3 355.753 2.563 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736095176 604162850 /nfs/dbraw/zinc/16/28/50/604162850.db2.gz LZRVFLQDKLKVGB-UHFFFAOYSA-N -1 3 360.458 2.659 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1)C(C)C ZINC000823903974 607766569 /nfs/dbraw/zinc/76/65/69/607766569.db2.gz PSWZATHSOSNLSC-UHFFFAOYSA-N -1 3 373.417 2.863 20 30 FFEDHM C=CCN(C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1)C(C)C ZINC000823903974 607766570 /nfs/dbraw/zinc/76/65/70/607766570.db2.gz PSWZATHSOSNLSC-UHFFFAOYSA-N -1 3 373.417 2.863 20 30 FFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000822665056 606208091 /nfs/dbraw/zinc/20/80/91/606208091.db2.gz HPLNIBVQXJFWGE-UHFFFAOYSA-N -1 3 370.372 2.963 20 30 FFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000822665056 606208092 /nfs/dbraw/zinc/20/80/92/606208092.db2.gz HPLNIBVQXJFWGE-UHFFFAOYSA-N -1 3 370.372 2.963 20 30 FFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000822650606 606219429 /nfs/dbraw/zinc/21/94/29/606219429.db2.gz WNXKUMOLJNOWPQ-UHFFFAOYSA-N -1 3 374.429 2.919 20 30 FFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000822650606 606219431 /nfs/dbraw/zinc/21/94/31/606219431.db2.gz WNXKUMOLJNOWPQ-UHFFFAOYSA-N -1 3 374.429 2.919 20 30 FFEDHM N#Cc1ccccc1S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822842483 606312880 /nfs/dbraw/zinc/31/28/80/606312880.db2.gz KJCIALRUCDHZGZ-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccccc1S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822842483 606312881 /nfs/dbraw/zinc/31/28/81/606312881.db2.gz KJCIALRUCDHZGZ-ZDUSSCGKSA-N -1 3 368.447 2.697 20 30 FFEDHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820937834 606337574 /nfs/dbraw/zinc/33/75/74/606337574.db2.gz DREPDRVWDSRARF-OAHLLOKOSA-N -1 3 366.356 2.674 20 30 FFEDHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820937834 606337575 /nfs/dbraw/zinc/33/75/75/606337575.db2.gz DREPDRVWDSRARF-OAHLLOKOSA-N -1 3 366.356 2.674 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015232 606390459 /nfs/dbraw/zinc/39/04/59/606390459.db2.gz FYXUFSYVVMHBLJ-VOTSOKGWSA-N -1 3 350.407 2.752 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015232 606390461 /nfs/dbraw/zinc/39/04/61/606390461.db2.gz FYXUFSYVVMHBLJ-VOTSOKGWSA-N -1 3 350.407 2.752 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3cccc(C)n23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015824 606391208 /nfs/dbraw/zinc/39/12/08/606391208.db2.gz PJTKLIGDQIEPNN-CMDGGOBGSA-N -1 3 373.420 2.775 20 30 FFEDHM Cc1c(C(=O)C=Cc2cnc3cccc(C)n23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015824 606391210 /nfs/dbraw/zinc/39/12/10/606391210.db2.gz PJTKLIGDQIEPNN-CMDGGOBGSA-N -1 3 373.420 2.775 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822801399 606449130 /nfs/dbraw/zinc/44/91/30/606449130.db2.gz IPVKWNKTOQWMAX-ROUUACIJSA-N -1 3 358.405 2.779 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822801399 606449132 /nfs/dbraw/zinc/44/91/32/606449132.db2.gz IPVKWNKTOQWMAX-ROUUACIJSA-N -1 3 358.405 2.779 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819845265 606571125 /nfs/dbraw/zinc/57/11/25/606571125.db2.gz SSKVSWRTCXZZEC-KRWDZBQOSA-N -1 3 352.423 2.573 20 30 FFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819845265 606571127 /nfs/dbraw/zinc/57/11/27/606571127.db2.gz SSKVSWRTCXZZEC-KRWDZBQOSA-N -1 3 352.423 2.573 20 30 FFEDHM COc1ccc(C#N)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821769832 606863790 /nfs/dbraw/zinc/86/37/90/606863790.db2.gz LDYXZSMUAQCGFX-UHFFFAOYSA-N -1 3 350.382 2.628 20 30 FFEDHM COc1ccc(C#N)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821769832 606863792 /nfs/dbraw/zinc/86/37/92/606863792.db2.gz LDYXZSMUAQCGFX-UHFFFAOYSA-N -1 3 350.382 2.628 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000819758645 607139037 /nfs/dbraw/zinc/13/90/37/607139037.db2.gz CWQINODKEWPAOG-UHFFFAOYSA-N -1 3 355.373 2.872 20 30 FFEDHM C=CCn1c(C)cc(C(=O)COc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000819758645 607139039 /nfs/dbraw/zinc/13/90/39/607139039.db2.gz CWQINODKEWPAOG-UHFFFAOYSA-N -1 3 355.373 2.872 20 30 FFEDHM C=C(C)[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)OCC ZINC000823873131 607880917 /nfs/dbraw/zinc/88/09/17/607880917.db2.gz JFIZDXDPQSPNLU-KRWDZBQOSA-N -1 3 355.442 2.729 20 30 FFEDHM C=C(C)[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)OCC ZINC000823873131 607880918 /nfs/dbraw/zinc/88/09/18/607880918.db2.gz JFIZDXDPQSPNLU-KRWDZBQOSA-N -1 3 355.442 2.729 20 30 FFEDHM CCc1nc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c2ccccn12 ZINC000825744462 607887894 /nfs/dbraw/zinc/88/78/94/607887894.db2.gz ATCLKHZJUKIERD-UHFFFAOYSA-N -1 3 365.401 2.634 20 30 FFEDHM CCc1nc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c2ccccn12 ZINC000825744462 607887895 /nfs/dbraw/zinc/88/78/95/607887895.db2.gz ATCLKHZJUKIERD-UHFFFAOYSA-N -1 3 365.401 2.634 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(Br)s1 ZINC000826399698 607930617 /nfs/dbraw/zinc/93/06/17/607930617.db2.gz COXSSCBYVQJLRT-UTCJRWHESA-N -1 3 362.212 2.982 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(Br)s1 ZINC000826399698 607930618 /nfs/dbraw/zinc/93/06/18/607930618.db2.gz COXSSCBYVQJLRT-UTCJRWHESA-N -1 3 362.212 2.982 20 30 FFEDHM Cc1c(C(=O)C=Cc2nc(Cl)cs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234019 607982032 /nfs/dbraw/zinc/98/20/32/607982032.db2.gz DWLXKUGQTFCAPJ-SNAWJCMRSA-N -1 3 360.830 2.929 20 30 FFEDHM Cc1c(C(=O)C=Cc2nc(Cl)cs2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234019 607982033 /nfs/dbraw/zinc/98/20/33/607982033.db2.gz DWLXKUGQTFCAPJ-SNAWJCMRSA-N -1 3 360.830 2.929 20 30 FFEDHM C=C[C@H](CC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882748 607995162 /nfs/dbraw/zinc/99/51/62/607995162.db2.gz CVXZWIPNQYPZCH-OAHLLOKOSA-N -1 3 363.421 2.851 20 30 FFEDHM C=C[C@H](CC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882748 607995163 /nfs/dbraw/zinc/99/51/63/607995163.db2.gz CVXZWIPNQYPZCH-OAHLLOKOSA-N -1 3 363.421 2.851 20 30 FFEDHM N#C[C@@H](COC(=O)CCc1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000826379638 608276357 /nfs/dbraw/zinc/27/63/57/608276357.db2.gz XRHNPUOETOPZKU-AWEZNQCLSA-N -1 3 367.434 2.786 20 30 FFEDHM N#C[C@@H](COC(=O)CCc1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000826379638 608276358 /nfs/dbraw/zinc/27/63/58/608276358.db2.gz XRHNPUOETOPZKU-AWEZNQCLSA-N -1 3 367.434 2.786 20 30 FFEDHM C#C[C@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000823837990 608454550 /nfs/dbraw/zinc/45/45/50/608454550.db2.gz KLBPTIQMUMOCAY-INIZCTEOSA-N -1 3 364.361 2.607 20 30 FFEDHM C#C[C@H](OC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823839034 608454763 /nfs/dbraw/zinc/45/47/63/608454763.db2.gz YVBIRCCTJWTBTE-INIZCTEOSA-N -1 3 364.361 2.607 20 30 FFEDHM C#C[C@H](OC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823839034 608454765 /nfs/dbraw/zinc/45/47/65/608454765.db2.gz YVBIRCCTJWTBTE-INIZCTEOSA-N -1 3 364.361 2.607 20 30 FFEDHM N#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000826384463 608488535 /nfs/dbraw/zinc/48/85/35/608488535.db2.gz WLCJKXCOLQYQOQ-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM N#Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000826384463 608488536 /nfs/dbraw/zinc/48/85/36/608488536.db2.gz WLCJKXCOLQYQOQ-UHFFFAOYSA-N -1 3 362.418 2.729 20 30 FFEDHM Cc1cccc2c1OCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826305235 608534730 /nfs/dbraw/zinc/53/47/30/608534730.db2.gz PJLBSQPELOEOSE-UHFFFAOYSA-N -1 3 355.789 2.822 20 30 FFEDHM Cc1cccc2c1OCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826305235 608534732 /nfs/dbraw/zinc/53/47/32/608534732.db2.gz PJLBSQPELOEOSE-UHFFFAOYSA-N -1 3 355.789 2.822 20 30 FFEDHM CCn1c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)nc2ccccc21 ZINC000825789150 608536221 /nfs/dbraw/zinc/53/62/21/608536221.db2.gz XOEZLCWFTCFRAK-UHFFFAOYSA-N -1 3 367.804 2.731 20 30 FFEDHM CCn1c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)nc2ccccc21 ZINC000825789150 608536222 /nfs/dbraw/zinc/53/62/22/608536222.db2.gz XOEZLCWFTCFRAK-UHFFFAOYSA-N -1 3 367.804 2.731 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1nc2ccccc2n1C ZINC000823958623 608539622 /nfs/dbraw/zinc/53/96/22/608539622.db2.gz TWFRMDOZOGGXRX-UHFFFAOYSA-N -1 3 367.804 2.638 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1nc2ccccc2n1C ZINC000823958623 608539623 /nfs/dbraw/zinc/53/96/23/608539623.db2.gz TWFRMDOZOGGXRX-UHFFFAOYSA-N -1 3 367.804 2.638 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc3ccccc3n2)n1 ZINC000826350495 608539772 /nfs/dbraw/zinc/53/97/72/608539772.db2.gz YUWROJSFDJOZNE-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc3ccccc3n2)n1 ZINC000826350495 608539774 /nfs/dbraw/zinc/53/97/74/608539774.db2.gz YUWROJSFDJOZNE-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM C=CCC[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823894078 609239734 /nfs/dbraw/zinc/23/97/34/609239734.db2.gz HAKMMHCHQSXNOL-CQSZACIVSA-N -1 3 356.474 2.985 20 30 FFEDHM C=CCC[C@@H](CC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823894078 609239736 /nfs/dbraw/zinc/23/97/36/609239736.db2.gz HAKMMHCHQSXNOL-CQSZACIVSA-N -1 3 356.474 2.985 20 30 FFEDHM C=CCSCCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000823937156 609248066 /nfs/dbraw/zinc/24/80/66/609248066.db2.gz KOBPLOICCPNMMP-UHFFFAOYSA-N -1 3 358.254 2.823 20 30 FFEDHM C=CCSCCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000823937156 609248067 /nfs/dbraw/zinc/24/80/67/609248067.db2.gz KOBPLOICCPNMMP-UHFFFAOYSA-N -1 3 358.254 2.823 20 30 FFEDHM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958866 609277095 /nfs/dbraw/zinc/27/70/95/609277095.db2.gz ZUKYSUDCTRZSSV-UHFFFAOYSA-N -1 3 356.752 2.762 20 30 FFEDHM Cn1cc(C=NNc2ccccc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360473 609304959 /nfs/dbraw/zinc/30/49/59/609304959.db2.gz LQOCRDWYHAREHQ-UHFFFAOYSA-N -1 3 362.372 2.852 20 30 FFEDHM Cn1cc(C=NNc2ccccc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360473 609304961 /nfs/dbraw/zinc/30/49/61/609304961.db2.gz LQOCRDWYHAREHQ-UHFFFAOYSA-N -1 3 362.372 2.852 20 30 FFEDHM COCCOc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826163547 609471047 /nfs/dbraw/zinc/47/10/47/609471047.db2.gz ZGVXFGPGNMWMOG-UHFFFAOYSA-N -1 3 372.816 2.991 20 30 FFEDHM COCCOc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826163547 609471049 /nfs/dbraw/zinc/47/10/49/609471049.db2.gz ZGVXFGPGNMWMOG-UHFFFAOYSA-N -1 3 372.816 2.991 20 30 FFEDHM Cc1nc(N(C)C)sc1C=[NH+][N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826326793 609473892 /nfs/dbraw/zinc/47/38/92/609473892.db2.gz DZQBYZCFVQYQSS-UHFFFAOYSA-N -1 3 362.850 2.797 20 30 FFEDHM Cc1ncsc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000743427694 735297301 /nfs/dbraw/zinc/29/73/01/735297301.db2.gz VMUJXNWBRAYVMF-LBPRGKRZSA-N -1 3 359.436 2.726 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccccc1 ZINC000134712283 728732440 /nfs/dbraw/zinc/73/24/40/728732440.db2.gz DFFNVCAELAYMSI-HNNXBMFYSA-N -1 3 352.456 2.683 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000177405145 729136245 /nfs/dbraw/zinc/13/62/45/729136245.db2.gz CPLVQLQHNNFVRM-UHFFFAOYSA-N -1 3 368.455 2.624 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[n-]n1 ZINC000190030758 729404557 /nfs/dbraw/zinc/40/45/57/729404557.db2.gz ZTGUQWCKRZZUET-UHFFFAOYSA-N -1 3 351.284 2.595 20 30 FFEDHM CCOC(=O)c1cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000190030758 729404558 /nfs/dbraw/zinc/40/45/58/729404558.db2.gz ZTGUQWCKRZZUET-UHFFFAOYSA-N -1 3 351.284 2.595 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1F ZINC000229611556 729550131 /nfs/dbraw/zinc/55/01/31/729550131.db2.gz LDSNGDPMBCFADH-DVOMOZLQSA-N -1 3 368.474 2.845 20 30 FFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3csc(Cl)n3)sc2C1 ZINC000857678500 730406158 /nfs/dbraw/zinc/40/61/58/730406158.db2.gz HTWDJEZUGPRFHK-UHFFFAOYSA-N -1 3 366.855 2.887 20 30 FFEDHM C#CC[C@H](COC)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000859428236 730454516 /nfs/dbraw/zinc/45/45/16/730454516.db2.gz XUPQKFSOJJPXHW-CYBMUJFWSA-N -1 3 370.883 2.780 20 30 FFEDHM C=CC[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000860906622 730558084 /nfs/dbraw/zinc/55/80/84/730558084.db2.gz NMEQXJFMPZYDRL-DZGCQCFKSA-N -1 3 364.467 2.648 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1 ZINC000862331406 730688811 /nfs/dbraw/zinc/68/88/11/730688811.db2.gz FIPHDKMKBCOIJZ-OLZOCXBDSA-N -1 3 361.772 2.633 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC23CC3)ccc1F ZINC000863776708 730807626 /nfs/dbraw/zinc/80/76/26/730807626.db2.gz CDXOKOYPPZGYSZ-CQSZACIVSA-N -1 3 366.458 2.600 20 30 FFEDHM CC(C)(C)n1cc(C(=O)[N-]Oc2cccc(C#N)c2)c(Br)n1 ZINC000870691514 731545444 /nfs/dbraw/zinc/54/54/44/731545444.db2.gz NTRNZVSOGSAPIC-UHFFFAOYSA-N -1 3 363.215 2.996 20 30 FFEDHM N#CC1(C[C@H](O)CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CCC1 ZINC000886309302 733772498 /nfs/dbraw/zinc/77/24/98/733772498.db2.gz ZJYLUEXSHSDIST-INIZCTEOSA-N -1 3 363.889 2.608 20 30 FFEDHM Cc1n[nH]cc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058284 734462245 /nfs/dbraw/zinc/46/22/45/734462245.db2.gz KAIJIHDGZSMFHW-UHFFFAOYSA-N -1 3 355.423 2.965 20 30 FFEDHM C=CCS(=O)(=O)CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000783618124 738820258 /nfs/dbraw/zinc/82/02/58/738820258.db2.gz NFFZXBPXUSVVDU-UHFFFAOYSA-N -1 3 361.419 2.515 20 30 FFEDHM COCCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(F)cc1 ZINC000734745148 734912331 /nfs/dbraw/zinc/91/23/31/734912331.db2.gz DYICIIFRCVTZML-UHFFFAOYSA-N -1 3 350.415 2.686 20 30 FFEDHM Cc1cc2c(c(Br)c1)NC(=O)C2=N[N-]c1ccc(Cl)nn1 ZINC000735609577 734952783 /nfs/dbraw/zinc/95/27/83/734952783.db2.gz WQDHPOONOQVZOL-UHFFFAOYSA-N -1 3 366.606 2.969 20 30 FFEDHM Cc1nn(Cc2ccccc2Cl)c(C)c1CN[C@H]1CCCN([O-])C1=O ZINC000895166987 734970600 /nfs/dbraw/zinc/97/06/00/734970600.db2.gz WJIXNJHYULCOJB-KRWDZBQOSA-N -1 3 362.861 2.671 20 30 FFEDHM N#CC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000901771316 735836692 /nfs/dbraw/zinc/83/66/92/735836692.db2.gz CQZRLMQTZGCRCX-SECBINFHSA-N -1 3 362.251 2.708 20 30 FFEDHM CN(C)CC#CC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902968260 736013437 /nfs/dbraw/zinc/01/34/37/736013437.db2.gz BNESASXDMAAPQN-UHFFFAOYSA-N -1 3 369.721 2.527 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000903095623 736030426 /nfs/dbraw/zinc/03/04/26/736030426.db2.gz WOAFVDIRSXQPIE-LLVKDONJSA-N -1 3 363.252 2.946 20 30 FFEDHM CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(Br)cc1[O-] ZINC000753940664 736108731 /nfs/dbraw/zinc/10/87/31/736108731.db2.gz UXXLYMNUYLRXDR-BETUJISGSA-N -1 3 351.248 2.739 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000903630457 736130561 /nfs/dbraw/zinc/13/05/61/736130561.db2.gz UMNDBGYJEWEARS-CQSZACIVSA-N -1 3 353.494 2.734 20 30 FFEDHM O=c1c2cc(Br)ccc2ncn1N=Cc1ccc([O-])c(F)c1 ZINC000755626738 736266258 /nfs/dbraw/zinc/26/62/58/736266258.db2.gz CHNXGHOYFHNHJO-UHFFFAOYSA-N -1 3 362.158 2.886 20 30 FFEDHM CCOC(=O)c1sc([C@H](C)/N=C/c2c(CO)cnc(C)c2[O-])nc1C ZINC000756776266 736360621 /nfs/dbraw/zinc/36/06/21/736360621.db2.gz UVLMRXMPNNBWKV-MDIIPYEWSA-N -1 3 363.439 2.710 20 30 FFEDHM CC(=NNC(=S)NC[C@@H]1CCCO1)c1ccc(Br)cc1[O-] ZINC000756822884 736364599 /nfs/dbraw/zinc/36/45/99/736364599.db2.gz BVXJCFGTHLQMEY-NSHDSACASA-N -1 3 372.288 2.522 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCC2(C)C)ccc1F ZINC000757766608 736425540 /nfs/dbraw/zinc/42/55/40/736425540.db2.gz QCZAHJZJXVTZTE-MRXNPFEDSA-N -1 3 368.474 2.989 20 30 FFEDHM C=CCN(CC(=O)[O-])C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000908748600 736825773 /nfs/dbraw/zinc/82/57/73/736825773.db2.gz GENCAEWWGPAYMO-OAHLLOKOSA-N -1 3 365.499 2.803 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847689 736843013 /nfs/dbraw/zinc/84/30/13/736843013.db2.gz RZWUONUJFGHNAP-CVEARBPZSA-N -1 3 365.861 2.546 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(C)C ZINC000763554132 736947680 /nfs/dbraw/zinc/94/76/80/736947680.db2.gz NAHZBAPFRCXZNF-HIFRSBDPSA-N -1 3 366.483 2.872 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910266116 737050006 /nfs/dbraw/zinc/05/00/06/737050006.db2.gz JZXXGDKZKCYGBZ-GOEBONIOSA-N -1 3 368.836 2.750 20 30 FFEDHM C=CCN1CCC(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)CC1 ZINC000911351765 737194608 /nfs/dbraw/zinc/19/46/08/737194608.db2.gz FDYBRTTUWHRUOP-UHFFFAOYSA-N -1 3 367.243 2.528 20 30 FFEDHM CCC[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000914375067 737568312 /nfs/dbraw/zinc/56/83/12/737568312.db2.gz UWGBHIDVFRWJGC-CYBMUJFWSA-N -1 3 358.485 2.550 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2CC)ccc1F ZINC000915176725 737611870 /nfs/dbraw/zinc/61/18/70/737611870.db2.gz UEVDFEBYEXBOFL-XJKSGUPXSA-N -1 3 368.474 2.989 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000917218732 737746363 /nfs/dbraw/zinc/74/63/63/737746363.db2.gz WQCWNHUJPVZNHB-NWDGAFQWSA-N -1 3 354.476 2.955 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H](C#N)Cc2cccs2)cc1 ZINC000772734319 737837731 /nfs/dbraw/zinc/83/77/31/737837731.db2.gz OXFRZZJDVONEHX-GFCCVEGCSA-N -1 3 364.448 2.659 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H](C)C2)ccc1F ZINC000919867382 737880727 /nfs/dbraw/zinc/88/07/27/737880727.db2.gz YRRARNGQBQGOTE-ZIAGYGMSSA-N -1 3 368.474 2.846 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H](C)C2)ccc1F ZINC000919867380 737880781 /nfs/dbraw/zinc/88/07/81/737880781.db2.gz YRRARNGQBQGOTE-UONOGXRCSA-N -1 3 368.474 2.846 20 30 FFEDHM CS(=O)(=O)c1cccnc1C/N=C\c1cc(Br)ccc1[O-] ZINC000775740634 738119946 /nfs/dbraw/zinc/11/99/46/738119946.db2.gz MVZOKKGNYWRTHS-PXNMLYILSA-N -1 3 369.240 2.572 20 30 FFEDHM Brc1cn2ccnc2c(=NN=Cc2ccc(-c3cc[nH]n3)o2)[n-]1 ZINC000788432569 739244516 /nfs/dbraw/zinc/24/45/16/739244516.db2.gz CARJTRORNJOXBP-UHFFFAOYSA-N -1 3 372.186 2.921 20 30 FFEDHM CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1 ZINC000794937856 739944582 /nfs/dbraw/zinc/94/45/82/739944582.db2.gz LMDAXQJWBGKIMX-SOFGYWHQSA-N -1 3 367.373 2.817 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCCCC#N)cc(C(F)(F)F)c1 ZINC000795780483 740063092 /nfs/dbraw/zinc/06/30/92/740063092.db2.gz AMMSRIAJIQWPDW-UHFFFAOYSA-N -1 3 350.318 2.537 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000795930631 740081775 /nfs/dbraw/zinc/08/17/75/740081775.db2.gz IDWKCYZPTXLTNH-RYUDHWBXSA-N -1 3 367.776 2.818 20 30 FFEDHM C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000949361785 740373264 /nfs/dbraw/zinc/37/32/64/740373264.db2.gz CYTFXHUTYLXBFQ-BXUZGUMPSA-N -1 3 350.846 2.748 20 30 FFEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)CCC#N)ccc1F ZINC000805280157 740956039 /nfs/dbraw/zinc/95/60/39/740956039.db2.gz AXZBRFUHLGSDLT-UHFFFAOYSA-N -1 3 369.462 2.572 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000811185030 741491673 /nfs/dbraw/zinc/49/16/73/741491673.db2.gz XKHOVYDCCRHURT-UHFFFAOYSA-N -1 3 367.329 2.617 20 30 FFEDHM Cn1cc(C=NN2C(=S)N=NC2c2cc(Cl)ccc2Cl)c(=O)[n-]1 ZINC000814214492 741804199 /nfs/dbraw/zinc/80/41/99/741804199.db2.gz CSVHTECADHHRIT-UHFFFAOYSA-N -1 3 369.237 2.862 20 30 FFEDHM C=CCC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000814420328 741824896 /nfs/dbraw/zinc/82/48/96/741824896.db2.gz XVTHYJLIBZDSII-UHFFFAOYSA-N -1 3 356.463 2.845 20 30 FFEDHM CCc1cnc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)s1 ZINC000814741577 741861252 /nfs/dbraw/zinc/86/12/52/741861252.db2.gz HMDAUWHQWTUYQK-CYBMUJFWSA-N -1 3 373.463 2.980 20 30 FFEDHM CSCc1cnc(C=N[N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000814858791 741870648 /nfs/dbraw/zinc/87/06/48/741870648.db2.gz HPGRCZAJDFHECG-UHFFFAOYSA-N -1 3 355.510 2.502 20 30 FFEDHM COC(=O)c1cc(C(=O)OCc2cc(Br)cc(C#N)c2)c[n-]1 ZINC000816058242 741990114 /nfs/dbraw/zinc/99/01/14/741990114.db2.gz INNBWXUCOMISBN-UHFFFAOYSA-N -1 3 363.167 2.792 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000816694682 742054055 /nfs/dbraw/zinc/05/40/55/742054055.db2.gz LDAAAPYWXYFOPE-JTQLQIEISA-N -1 3 372.233 2.837 20 30 FFEDHM Cc1cc2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)oc2c(Br)c1 ZINC000820471509 742508930 /nfs/dbraw/zinc/50/89/30/742508930.db2.gz XRWZZHHBIVFARY-LLVKDONJSA-N -1 3 367.199 2.614 20 30 FFEDHM N#CCOC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826382104 743384293 /nfs/dbraw/zinc/38/42/93/743384293.db2.gz OQDHYUFRCRVBHX-UHFFFAOYSA-N -1 3 355.741 2.993 20 30 FFEDHM N#CCOC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826382104 743384302 /nfs/dbraw/zinc/38/43/02/743384302.db2.gz OQDHYUFRCRVBHX-UHFFFAOYSA-N -1 3 355.741 2.993 20 30 FFEDHM C=CC(C)(C)COC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000835725500 746069383 /nfs/dbraw/zinc/06/93/83/746069383.db2.gz BCPKARVUCIEKKG-UHFFFAOYSA-N -1 3 355.456 2.971 20 30 FFEDHM Cc1nsc([N-]C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)c1C#N ZINC000839349127 746815538 /nfs/dbraw/zinc/81/55/38/746815538.db2.gz QDIIWQQRKLDACD-UHFFFAOYSA-N -1 3 360.399 2.713 20 30 FFEDHM C#C[C@@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H]1CCCO1 ZINC000839562627 746856686 /nfs/dbraw/zinc/85/66/86/746856686.db2.gz BMHHWFGXPQGZQN-OCCSQVGLSA-N -1 3 355.419 2.927 20 30 FFEDHM C=C(C)CO[N-]C(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000846534943 748498482 /nfs/dbraw/zinc/49/84/82/748498482.db2.gz JTJMRXAFXCUXPK-UHFFFAOYSA-N -1 3 352.460 2.928 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Br)c2ccccc2c1 ZINC000848131502 748850195 /nfs/dbraw/zinc/85/01/95/748850195.db2.gz HREQZPQXFKLNNA-CQSZACIVSA-N -1 3 363.211 2.712 20 30 FFEDHM C[C@H](C#N)OCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000850003060 749281356 /nfs/dbraw/zinc/28/13/56/749281356.db2.gz PFLVXTLAWJRMKQ-GFCCVEGCSA-N -1 3 355.423 2.601 20 30 FFEDHM N#CCC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000487402408 845916695 /nfs/dbraw/zinc/91/66/95/845916695.db2.gz UNSQELNCQHXGAD-UHFFFAOYSA-N -1 3 372.269 2.765 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C[C@@H](CC(C)C)CC1=O ZINC000819745938 945279451 /nfs/dbraw/zinc/27/94/51/945279451.db2.gz VUEYFUCDUGCGNU-KRWDZBQOSA-N -1 3 368.485 2.707 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C[C@@H](CC(C)C)CC1=O ZINC000819745938 945279459 /nfs/dbraw/zinc/27/94/59/945279459.db2.gz VUEYFUCDUGCGNU-KRWDZBQOSA-N -1 3 368.485 2.707 20 30 FFEDHM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736772224 944888931 /nfs/dbraw/zinc/88/89/31/944888931.db2.gz CMMXSKPRBHXAIS-QZTJIDSGSA-N -1 3 373.420 2.547 20 30 FFEDHM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736772224 944888940 /nfs/dbraw/zinc/88/89/40/944888940.db2.gz CMMXSKPRBHXAIS-QZTJIDSGSA-N -1 3 373.420 2.547 20 30 FFEDHM C#CCCCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823838277 946488327 /nfs/dbraw/zinc/48/83/27/946488327.db2.gz NNMQZFZVFUMOCR-UHFFFAOYSA-N -1 3 369.816 2.838 20 30 FFEDHM C#CCCCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823838277 946488333 /nfs/dbraw/zinc/48/83/33/946488333.db2.gz NNMQZFZVFUMOCR-UHFFFAOYSA-N -1 3 369.816 2.838 20 30 FFEDHM C#CCOc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)cc1OC ZINC000823856650 946492739 /nfs/dbraw/zinc/49/27/39/946492739.db2.gz VRDWLDYUFFWCNF-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM C#CCOc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)cc1OC ZINC000823856650 946492751 /nfs/dbraw/zinc/49/27/51/946492751.db2.gz VRDWLDYUFFWCNF-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM CC(C)(C#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824058840 946572048 /nfs/dbraw/zinc/57/20/48/946572048.db2.gz FBEHXHIDZFYOFO-UHFFFAOYSA-N -1 3 350.338 2.513 20 30 FFEDHM CC(C)(C#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824058840 946572052 /nfs/dbraw/zinc/57/20/52/946572052.db2.gz FBEHXHIDZFYOFO-UHFFFAOYSA-N -1 3 350.338 2.513 20 30 FFEDHM C=C(CC)CNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC001573295953 947035012 /nfs/dbraw/zinc/03/50/12/947035012.db2.gz WIZMYSQJDUZQIJ-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=C(CC)CNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC001573295953 947035025 /nfs/dbraw/zinc/03/50/25/947035025.db2.gz WIZMYSQJDUZQIJ-UHFFFAOYSA-N -1 3 353.382 2.735 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573299194 947089220 /nfs/dbraw/zinc/08/92/20/947089220.db2.gz IJLPUYICUAVXBB-STQMWFEESA-N -1 3 358.421 2.763 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573299194 947089235 /nfs/dbraw/zinc/08/92/35/947089235.db2.gz IJLPUYICUAVXBB-STQMWFEESA-N -1 3 358.421 2.763 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573299702 947098278 /nfs/dbraw/zinc/09/82/78/947098278.db2.gz GSNHAXYHJYNOFF-NXEZZACHSA-N -1 3 363.491 2.539 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573300653 947116611 /nfs/dbraw/zinc/11/66/11/947116611.db2.gz RMRYYQLDZWNTMC-GJZGRUSLSA-N -1 3 369.473 2.766 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573300653 947116618 /nfs/dbraw/zinc/11/66/18/947116618.db2.gz RMRYYQLDZWNTMC-GJZGRUSLSA-N -1 3 369.473 2.766 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573300652 947116833 /nfs/dbraw/zinc/11/68/33/947116833.db2.gz RMRYYQLDZWNTMC-CABCVRRESA-N -1 3 369.473 2.766 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573300652 947116840 /nfs/dbraw/zinc/11/68/40/947116840.db2.gz RMRYYQLDZWNTMC-CABCVRRESA-N -1 3 369.473 2.766 20 30 FFEDHM C=CC(C)(C)CC(=O)NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573307624 947182961 /nfs/dbraw/zinc/18/29/61/947182961.db2.gz TZWGNRHSWFWIJN-UHFFFAOYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)NC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573307624 947182969 /nfs/dbraw/zinc/18/29/69/947182969.db2.gz TZWGNRHSWFWIJN-UHFFFAOYSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573314523 947231535 /nfs/dbraw/zinc/23/15/35/947231535.db2.gz CQANWGJPSTYPPU-CZUORRHYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573314523 947231548 /nfs/dbraw/zinc/23/15/48/947231548.db2.gz CQANWGJPSTYPPU-CZUORRHYSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCCC(=O)N[C@@H](C)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573327678 947393328 /nfs/dbraw/zinc/39/33/28/947393328.db2.gz JIFIKTYRXNCIND-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCC(=O)N[C@@H](C)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573327678 947393339 /nfs/dbraw/zinc/39/33/39/947393339.db2.gz JIFIKTYRXNCIND-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(C)=C(C)C1 ZINC001573348042 947579191 /nfs/dbraw/zinc/57/91/91/947579191.db2.gz LSQLTPUWHLVADR-UHFFFAOYSA-N -1 3 362.441 2.858 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(C)=C(C)C1 ZINC001573348042 947579196 /nfs/dbraw/zinc/57/91/96/947579196.db2.gz LSQLTPUWHLVADR-UHFFFAOYSA-N -1 3 362.441 2.858 20 30 FFEDHM C=CCOc1ccc(CC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001573348055 947579228 /nfs/dbraw/zinc/57/92/28/947579228.db2.gz LYDBIRCXSRMFCT-UHFFFAOYSA-N -1 3 353.357 2.752 20 30 FFEDHM C=CCOc1ccc(CC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001573348055 947579237 /nfs/dbraw/zinc/57/92/37/947579237.db2.gz LYDBIRCXSRMFCT-UHFFFAOYSA-N -1 3 353.357 2.752 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001573347952 947579393 /nfs/dbraw/zinc/57/93/93/947579393.db2.gz KGZOOVVVCDDMMJ-UHFFFAOYSA-N -1 3 374.397 2.643 20 30 FFEDHM C=CCc1ccccc1OS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001573347952 947579398 /nfs/dbraw/zinc/57/93/98/947579398.db2.gz KGZOOVVVCDDMMJ-UHFFFAOYSA-N -1 3 374.397 2.643 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3c(F)cc(-c4nnn[n-]4)cc3F)CCO2)c1 ZINC000826386856 948190751 /nfs/dbraw/zinc/19/07/51/948190751.db2.gz VMMXWFGBKQJXQL-INIZCTEOSA-N -1 3 368.347 2.594 20 30 FFEDHM N#Cc1cccc([C@@H]2CN(c3c(F)cc(-c4nn[n-]n4)cc3F)CCO2)c1 ZINC000826386856 948190754 /nfs/dbraw/zinc/19/07/54/948190754.db2.gz VMMXWFGBKQJXQL-INIZCTEOSA-N -1 3 368.347 2.594 20 30 FFEDHM O=C1c2cc(F)ccc2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826476759 948384300 /nfs/dbraw/zinc/38/43/00/948384300.db2.gz OJVQVDBVWNYQBM-GHXNOFRVSA-N -1 3 360.352 2.866 20 30 FFEDHM O=C1c2cc(F)ccc2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826476759 948384307 /nfs/dbraw/zinc/38/43/07/948384307.db2.gz OJVQVDBVWNYQBM-GHXNOFRVSA-N -1 3 360.352 2.866 20 30 FFEDHM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nnc2n1CCCCC2 ZINC000120611174 959930853 /nfs/dbraw/zinc/93/08/53/959930853.db2.gz FSHUHUUSQUZMME-DYLGSBMWSA-N -1 3 350.378 2.623 20 30 FFEDHM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nnc2n1CCCCC2 ZINC000255110078 961354262 /nfs/dbraw/zinc/35/42/62/961354262.db2.gz FSHUHUUSQUZMME-BRLPQQTGSA-N -1 3 350.378 2.623 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000176100934 965209304 /nfs/dbraw/zinc/20/93/04/965209304.db2.gz NWKHOKPPIWVQAD-HNNXBMFYSA-N -1 3 373.372 2.970 20 30 FFEDHM N#Cc1ccc([C@@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)CCO2)cc1 ZINC000893114146 970613219 /nfs/dbraw/zinc/61/32/19/970613219.db2.gz RZLVXCAJQDNQEY-SFHVURJKSA-N -1 3 355.369 2.686 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898815576 976704529 /nfs/dbraw/zinc/70/45/29/976704529.db2.gz JNKUDLGGAWSKGX-MRXNPFEDSA-N -1 3 359.474 2.539 20 30 FFEDHM C=CC[C@H]1N(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1(C)C ZINC000898814685 976704930 /nfs/dbraw/zinc/70/49/30/976704930.db2.gz WTBARMINNLWCHY-LSDHHAIUSA-N -1 3 359.474 2.537 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1[O-] ZINC000899232919 977028221 /nfs/dbraw/zinc/02/82/21/977028221.db2.gz XPXZZXAFEJQTPI-ATMBNVFJSA-N -1 3 361.442 2.547 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(-c2cccc(Cl)c2)n1 ZINC000126338955 1014475335 /nfs/dbraw/zinc/47/53/35/1014475335.db2.gz VEXAPVARGNYYBA-CQSZACIVSA-N -1 3 365.780 2.882 20 30 FFEDHM CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001595232921 980128421 /nfs/dbraw/zinc/12/84/21/980128421.db2.gz NFNAKNJNTRJCHL-NXOAAHMSSA-N -1 3 356.422 2.854 20 30 FFEDHM COC(=O)c1cncc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c1 ZINC000760184863 980185931 /nfs/dbraw/zinc/18/59/31/980185931.db2.gz WJRJKQYWPKIFEQ-KRWDZBQOSA-N -1 3 373.368 2.983 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](C)c2nc(-c3ccccc3)no2)c1[O-] ZINC000760226818 980436457 /nfs/dbraw/zinc/43/64/57/980436457.db2.gz JRTQCSAMNDMCIU-SVKBEJCWSA-N -1 3 352.394 2.861 20 30 FFEDHM C=CCCC[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908809004 981541843 /nfs/dbraw/zinc/54/18/43/981541843.db2.gz OLDABQFXRVKJFR-GOSISDBHSA-N -1 3 373.497 2.932 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N2c3ccccc3C[C@@H](C)[C@H]2C(=O)[O-])CC1 ZINC000908945586 981574787 /nfs/dbraw/zinc/57/47/87/981574787.db2.gz JQSLEVXKWIQDFF-BEFAXECRSA-N -1 3 371.481 2.889 20 30 FFEDHM COc1cc2[n-]cc(C(=O)NCCC#C[Si](C)(C)C)c(=O)c2c(OC)c1 ZINC000912327888 984013059 /nfs/dbraw/zinc/01/30/59/984013059.db2.gz WGHWZNIKMMNKTF-UHFFFAOYSA-N -1 3 372.497 2.546 20 30 FFEDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000045997900 984563993 /nfs/dbraw/zinc/56/39/93/984563993.db2.gz OYSWVALLQZXTRX-UHFFFAOYSA-N -1 3 355.350 2.618 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(COC)c1 ZINC000765587220 985212130 /nfs/dbraw/zinc/21/21/30/985212130.db2.gz MJNQNXHUCXFFHZ-HNNXBMFYSA-N -1 3 353.378 2.588 20 30 FFEDHM COC(=O)c1ccc([C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000914896683 988037339 /nfs/dbraw/zinc/03/73/39/988037339.db2.gz BGUQTBROJCIUCL-GFCCVEGCSA-N -1 3 372.377 2.892 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000922286091 988325617 /nfs/dbraw/zinc/32/56/17/988325617.db2.gz UCLIPXFVEDPSQV-RISCZKNCSA-N -1 3 372.343 2.861 20 30 FFEDHM COc1cc(C(=O)/C=C\c2cn(-c3ccccc3)nn2)c(OC)cc1[O-] ZINC000763107888 989041826 /nfs/dbraw/zinc/04/18/26/989041826.db2.gz YSPGLAOOOMHGPR-HJWRWDBZSA-N -1 3 351.362 2.886 20 30 FFEDHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001599865110 989235867 /nfs/dbraw/zinc/23/58/67/989235867.db2.gz VDHILGLJHCVRQB-WQVCFCJDSA-N -1 3 359.426 2.529 20 30 FFEDHM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000916899805 990016263 /nfs/dbraw/zinc/01/62/63/990016263.db2.gz RPUIMJKHPAGVDJ-INIZCTEOSA-N -1 3 360.373 2.842 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000916953255 990073113 /nfs/dbraw/zinc/07/31/13/990073113.db2.gz KTYOOAPXRKFRNM-CQSZACIVSA-N -1 3 369.333 2.573 20 30 FFEDHM N#Cc1ccc([C@H](O)CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000879446689 1015540032 /nfs/dbraw/zinc/54/00/32/1015540032.db2.gz NFQDVRUFWOSLRP-HXUWFJFHSA-N -1 3 371.868 2.768 20 30 FFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(N3CCOCC3)cc2)c1[O-] ZINC000920864047 990922466 /nfs/dbraw/zinc/92/24/66/990922466.db2.gz JOPNFNSIOSVTRI-JCRYTKJOSA-N -1 3 355.438 2.605 20 30 FFEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCNC2=O)cc1 ZINC001593194573 994137905 /nfs/dbraw/zinc/13/79/05/994137905.db2.gz JLOXLMSWFQJQEJ-ACJLOTCBSA-N -1 3 364.405 2.564 20 30 FFEDHM COc1cccc2c(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)n[n-]c21 ZINC000808675900 994219640 /nfs/dbraw/zinc/21/96/40/994219640.db2.gz XCLNQGQTCIEVQF-LLVKDONJSA-N -1 3 364.361 2.627 20 30 FFEDHM COc1cccc2c1n[n-]c2C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000808675900 994219651 /nfs/dbraw/zinc/21/96/51/994219651.db2.gz XCLNQGQTCIEVQF-LLVKDONJSA-N -1 3 364.361 2.627 20 30 FFEDHM CC(C)c1ccc(CCNC(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186957 995052129 /nfs/dbraw/zinc/05/21/29/995052129.db2.gz FIQWSRBZMVXDDK-UHFFFAOYSA-N -1 3 366.417 2.903 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000811187743 995053673 /nfs/dbraw/zinc/05/36/73/995053673.db2.gz WREXOQLDCKZBPR-CHWSQXEVSA-N -1 3 350.374 2.787 20 30 FFEDHM C[C@@H]1CCCN(c2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)ccn2)C1 ZINC000813061187 995608124 /nfs/dbraw/zinc/60/81/24/995608124.db2.gz DLQXSBDQAUQRMK-ZBFHGGJFSA-N -1 3 363.421 2.674 20 30 FFEDHM Cc1cccc(N(CCC#N)C(=O)COC(=O)c2cncc([O-])c2)c1C ZINC000732393739 998651285 /nfs/dbraw/zinc/65/12/85/998651285.db2.gz SRGOLGMLGDEJFS-UHFFFAOYSA-N -1 3 353.378 2.508 20 30 FFEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2cncc([O-])c2)cc1 ZINC000732393757 998651617 /nfs/dbraw/zinc/65/16/17/998651617.db2.gz SVMZCXMOUZSAPW-AWEZNQCLSA-N -1 3 353.378 2.588 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1Cc2ccccc2C(=O)O1 ZINC000845840629 998671665 /nfs/dbraw/zinc/67/16/65/998671665.db2.gz MXVLLBYLRJGWCC-ZWKOTPCHSA-N -1 3 359.381 2.778 20 30 FFEDHM N#CC(C(=O)[C@H]1Cc2ccccc2C(=O)O1)=C([O-])C1(c2ccccc2)CC1 ZINC000845840629 998671667 /nfs/dbraw/zinc/67/16/67/998671667.db2.gz MXVLLBYLRJGWCC-ZWKOTPCHSA-N -1 3 359.381 2.778 20 30 FFEDHM N#C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCN1C1CC1 ZINC000732679322 998742016 /nfs/dbraw/zinc/74/20/16/998742016.db2.gz XYGVFEXPVDFIFQ-LJQANCHMSA-N -1 3 361.445 2.795 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCn1ncc2ccccc21 ZINC000737366215 999599489 /nfs/dbraw/zinc/59/94/89/999599489.db2.gz XWIRGVCSIISTLR-UHFFFAOYSA-N -1 3 364.405 2.801 20 30 FFEDHM Cc1ccc(NCCC/N=C\c2c([O-])c(C)ncc2CO)c([N+](=O)[O-])c1 ZINC000739424987 999646272 /nfs/dbraw/zinc/64/62/72/999646272.db2.gz ADHGSLFNVWHDOL-GRSHGNNSSA-N -1 3 358.398 2.726 20 30 FFEDHM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000846333015 1000272911 /nfs/dbraw/zinc/27/29/11/1000272911.db2.gz JMGSVXHNGPAZDM-IBGZPJMESA-N -1 3 356.397 2.918 20 30 FFEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(CN2CCCCC2)cc1 ZINC000770872086 1000933648 /nfs/dbraw/zinc/93/36/48/1000933648.db2.gz RBKZTNQGCRQPSV-QGZVFWFLSA-N -1 3 350.422 2.611 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C2=C(C)NC(C)S2)c(C)c1[O-] ZINC001147741632 1000967533 /nfs/dbraw/zinc/96/75/33/1000967533.db2.gz TWETWVRWBPONCV-UHFFFAOYSA-N -1 3 360.415 2.765 20 30 FFEDHM CC(=O)c1cc(C(=O)Nc2ncc(C#N)cc2Br)ccc1[O-] ZINC001148655748 1001180234 /nfs/dbraw/zinc/18/02/34/1001180234.db2.gz IEJHJINLEDXUKD-UHFFFAOYSA-N -1 3 360.167 2.876 20 30 FFEDHM Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001183889921 1002423157 /nfs/dbraw/zinc/42/31/57/1002423157.db2.gz MXDWPVKFEZPGCZ-UHFFFAOYSA-N -1 3 373.372 2.884 20 30 FFEDHM C=C(CC(=O)OCCCC)C(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001184311133 1002554941 /nfs/dbraw/zinc/55/49/41/1002554941.db2.gz ZFNLEMSONCEFJU-UHFFFAOYSA-N -1 3 353.346 2.546 20 30 FFEDHM Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)c3ccccc3[O-])C2)ccc1C#N ZINC001092491849 1003067743 /nfs/dbraw/zinc/06/77/43/1003067743.db2.gz LSXDDFAWUHEFJO-RHSMWYFYSA-N -1 3 364.449 2.860 20 30 FFEDHM C=CCc1c(F)c(F)c(C(=O)NCCc2c(C)[n-][nH]c2=O)c(F)c1F ZINC001186737549 1003401929 /nfs/dbraw/zinc/40/19/29/1003401929.db2.gz MGHRTWSJAFEZSZ-UHFFFAOYSA-N -1 3 357.307 2.681 20 30 FFEDHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC(C#Cc2ccccc2)CC1 ZINC001187008910 1003513273 /nfs/dbraw/zinc/51/32/73/1003513273.db2.gz JWSZQTWVGJJOGJ-UHFFFAOYSA-N -1 3 357.417 2.771 20 30 FFEDHM O=C(c1ccccc1-c1nn[n-]n1)N1CCC(C#Cc2ccccc2)CC1 ZINC001187008910 1003513278 /nfs/dbraw/zinc/51/32/78/1003513278.db2.gz JWSZQTWVGJJOGJ-UHFFFAOYSA-N -1 3 357.417 2.771 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001187030943 1003515118 /nfs/dbraw/zinc/51/51/18/1003515118.db2.gz GPYNIPNBKKFARI-HNNXBMFYSA-N -1 3 355.394 2.684 20 30 FFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC001191387195 1003791001 /nfs/dbraw/zinc/79/10/01/1003791001.db2.gz VDUUMXLBQNVRHR-UHFFFAOYSA-N -1 3 359.176 2.531 20 30 FFEDHM COc1cc(F)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(F)c1 ZINC001196701951 1003918747 /nfs/dbraw/zinc/91/87/47/1003918747.db2.gz OTONXUSBYNJHKG-UHFFFAOYSA-N -1 3 372.780 2.977 20 30 FFEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nc(Cl)nc4[nH]cnc43)no2)c1 ZINC001196760330 1003936833 /nfs/dbraw/zinc/93/68/33/1003936833.db2.gz VVICCQMTRCFFQV-UHFFFAOYSA-N -1 3 365.740 2.785 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(=C)c2ccccc2)ccc1F ZINC000805250496 1003974450 /nfs/dbraw/zinc/97/44/50/1003974450.db2.gz FJJLGEWYWKHGKZ-UHFFFAOYSA-N -1 3 374.437 2.733 20 30 FFEDHM CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc([O-])cc1C#N ZINC001192762653 1004262053 /nfs/dbraw/zinc/26/20/53/1004262053.db2.gz RHPNYZHHHLWQCV-QGZVFWFLSA-N -1 3 353.378 2.560 20 30 FFEDHM N#CC1([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)Cc2ccccc2C1 ZINC001197717053 1004318043 /nfs/dbraw/zinc/31/80/43/1004318043.db2.gz YXGPTOQYJFTPET-UHFFFAOYSA-N -1 3 364.829 2.960 20 30 FFEDHM COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC001198706365 1004722959 /nfs/dbraw/zinc/72/29/59/1004722959.db2.gz ORNYBWKDGIBJJT-SNVBAGLBSA-N -1 3 351.815 2.655 20 30 FFEDHM CCOC(=O)c1cnc(C)c(C(=O)[N-]c2c(C#N)csc2C(=O)OC)c1 ZINC001199684419 1005006702 /nfs/dbraw/zinc/00/67/02/1005006702.db2.gz HAFIGRKBRKZGKY-UHFFFAOYSA-N -1 3 373.390 2.539 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001489694904 1005546659 /nfs/dbraw/zinc/54/66/59/1005546659.db2.gz ITWSNWUDJXKMGR-FVQBIDKESA-N -1 3 369.469 2.717 20 30 FFEDHM C[C@@H](C#N)C(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001489964111 1005607488 /nfs/dbraw/zinc/60/74/88/1005607488.db2.gz UDQSXWONBOJDQW-HLLBOEOZSA-N -1 3 357.454 2.689 20 30 FFEDHM N#Cc1cccc(C(F)(F)F)c1NC(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152457206 1032171998 /nfs/dbraw/zinc/17/19/98/1032171998.db2.gz SUTDDHBDDLQKHB-UHFFFAOYSA-N -1 3 359.263 2.964 20 30 FFEDHM O=C(CCN1c2ccccc2Sc2ccccc21)N[C@H]1CCN([O-])C1=O ZINC000816694857 1007168095 /nfs/dbraw/zinc/16/80/95/1007168095.db2.gz PHCWTHPJXVTWOI-ZDUSSCGKSA-N -1 3 369.446 2.786 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccncc3)c[nH]c2=O)c1 ZINC001190618027 1007704262 /nfs/dbraw/zinc/70/42/62/1007704262.db2.gz YNYUYXFWEHRASS-UHFFFAOYSA-N -1 3 370.365 2.661 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCOc2cccc(Cl)c2)c1 ZINC001190662711 1007723352 /nfs/dbraw/zinc/72/33/52/1007723352.db2.gz MPZNBTTXOHHGPD-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3c2cc(F)cc3F)c1 ZINC001190669211 1007725543 /nfs/dbraw/zinc/72/55/43/1007725543.db2.gz KJDXUSQIYQWDDG-HNNXBMFYSA-N -1 3 352.337 2.941 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccnc(C(F)(F)F)c2)c1 ZINC001190676310 1007744913 /nfs/dbraw/zinc/74/49/13/1007744913.db2.gz AFENQFVYDZYLQL-UHFFFAOYSA-N -1 3 359.304 2.590 20 30 FFEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)C2CC2)nc1 ZINC001190676937 1007745364 /nfs/dbraw/zinc/74/53/64/1007745364.db2.gz LMFXVLTUGCXIAV-KRWDZBQOSA-N -1 3 361.398 2.531 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccn(CC3CC3)c2=O)c1 ZINC001190992847 1007862858 /nfs/dbraw/zinc/86/28/58/1007862858.db2.gz DQZBTRPHTUOAPK-UHFFFAOYSA-N -1 3 363.826 2.584 20 30 FFEDHM Cc1nc(-c2cnn(C)c2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000115903857 1008310826 /nfs/dbraw/zinc/31/08/26/1008310826.db2.gz ZUDASBUCFWYQAS-AWEZNQCLSA-N -1 3 365.418 2.813 20 30 FFEDHM C[C@H]1CCN(CCOc2ccccc2C#N)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787091 1008595675 /nfs/dbraw/zinc/59/56/75/1008595675.db2.gz GPGVKLAVAOTSNS-XEZPLFJOSA-N -1 3 369.387 2.714 20 30 FFEDHM N#Cc1cc(Br)ccc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001177649392 1008708747 /nfs/dbraw/zinc/70/87/47/1008708747.db2.gz KADLNOMJVBHILL-UHFFFAOYSA-N -1 3 373.210 2.624 20 30 FFEDHM N#C[C@H](Cc1cccs1)C(=O)Nc1ncc([O-])cc1Br ZINC001177902862 1008777440 /nfs/dbraw/zinc/77/74/40/1008777440.db2.gz BKQCZZYKYZPKQG-QMMMGPOBSA-N -1 3 352.213 2.932 20 30 FFEDHM N#Cc1cc(NC(=O)[C@]2(F)C[C@@H]2C(=O)OCc2ccccc2)ccc1[O-] ZINC001178862907 1009175641 /nfs/dbraw/zinc/17/56/41/1009175641.db2.gz LIJXFSBARLPKCV-BEFAXECRSA-N -1 3 354.337 2.674 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001179485506 1009349135 /nfs/dbraw/zinc/34/91/35/1009349135.db2.gz QBVWQOBORHRKCC-AUUYWEPGSA-N -1 3 357.410 2.849 20 30 FFEDHM C=CCN1CC[C@]2(CCN(C(=O)c3ccc([O-])cc3C(F)(F)F)C2)C1=O ZINC001274202480 1009591311 /nfs/dbraw/zinc/59/13/11/1009591311.db2.gz CTAGBCFTJAZTDP-QGZVFWFLSA-N -1 3 368.355 2.662 20 30 FFEDHM N#Cc1ccccc1N1CCC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1 ZINC001180502662 1009726900 /nfs/dbraw/zinc/72/69/00/1009726900.db2.gz HDPHBENJXSNLIN-UHFFFAOYSA-N -1 3 364.331 2.550 20 30 FFEDHM N#Cc1ccccc1N1CCC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001180502662 1009726914 /nfs/dbraw/zinc/72/69/14/1009726914.db2.gz HDPHBENJXSNLIN-UHFFFAOYSA-N -1 3 364.331 2.550 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(OC)n(C)n1 ZINC000773979739 1010398621 /nfs/dbraw/zinc/39/86/21/1010398621.db2.gz KEJJQKLIALGYIQ-CQSZACIVSA-N -1 3 354.410 2.515 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cn1 ZINC000774054258 1010443973 /nfs/dbraw/zinc/44/39/73/1010443973.db2.gz RHDXNLXLLZVSLR-AWEZNQCLSA-N -1 3 353.378 2.839 20 30 FFEDHM C#Cc1ccc(CN2CCC(n3nnc(C(=O)[O-])c3C(F)F)CC2)cc1 ZINC000864360912 1010456953 /nfs/dbraw/zinc/45/69/53/1010456953.db2.gz RQOJVYZQGPJJHZ-UHFFFAOYSA-N -1 3 360.364 2.732 20 30 FFEDHM N#CCCCNC(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000868492258 1011334996 /nfs/dbraw/zinc/33/49/96/1011334996.db2.gz ROKVULRMZDSFIL-LBPRGKRZSA-N -1 3 368.359 2.672 20 30 FFEDHM C=CCN1CC[C@]2(CCN(C(=O)c3cc(C(F)(F)F)ccc3[O-])C2)C1=O ZINC001274550606 1011504690 /nfs/dbraw/zinc/50/46/90/1011504690.db2.gz AZGNMUJUHLRTML-QGZVFWFLSA-N -1 3 368.355 2.662 20 30 FFEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c(C2CC2)n1 ZINC000870143861 1012195619 /nfs/dbraw/zinc/19/56/19/1012195619.db2.gz YDJHLJVLOGZEIP-ZDUSSCGKSA-N -1 3 352.394 2.750 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001097808860 1017969813 /nfs/dbraw/zinc/96/98/13/1017969813.db2.gz FXHDWFAATHDWEO-ZACQAIPSSA-N -1 3 368.481 2.637 20 30 FFEDHM CCc1onc(C)c1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000901143716 1018769611 /nfs/dbraw/zinc/76/96/11/1018769611.db2.gz MIFRBUJDEHKDFI-HNNXBMFYSA-N -1 3 371.422 2.820 20 30 FFEDHM Cc1ccc(CN2C[C@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC000901376817 1019018089 /nfs/dbraw/zinc/01/80/89/1019018089.db2.gz YLBMLYOSXDLISG-QGZVFWFLSA-N -1 3 356.397 2.901 20 30 FFEDHM COCCOc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000802040088 1019662463 /nfs/dbraw/zinc/66/24/63/1019662463.db2.gz FUWYJGSOSXKMCV-MRXNPFEDSA-N -1 3 373.796 2.721 20 30 FFEDHM O=C(C[C@H]1CCCC1(F)F)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000900680060 1020580442 /nfs/dbraw/zinc/58/04/42/1020580442.db2.gz WVMLNFDGUQQVNS-GFCCVEGCSA-N -1 3 366.364 2.716 20 30 FFEDHM N#Cc1ccc(C2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)cc1 ZINC000933608362 1021044173 /nfs/dbraw/zinc/04/41/73/1021044173.db2.gz YYDZJRFZERBLBM-UHFFFAOYSA-N -1 3 350.422 2.506 20 30 FFEDHM COc1cc(Br)c(C(=O)Nc2ccc([O-])c(C#N)c2)cc1O ZINC001149062094 1021710461 /nfs/dbraw/zinc/71/04/61/1021710461.db2.gz OXMAVXLVJXXMDY-UHFFFAOYSA-N -1 3 363.167 2.993 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1cccc(C)n1 ZINC001122489896 1023300462 /nfs/dbraw/zinc/30/04/62/1023300462.db2.gz ALGDKZJPJRWCGZ-UHFFFAOYSA-N -1 3 358.837 2.633 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1cccc(C)n1 ZINC001122489896 1023300472 /nfs/dbraw/zinc/30/04/72/1023300472.db2.gz ALGDKZJPJRWCGZ-UHFFFAOYSA-N -1 3 358.837 2.633 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001121607280 1023877489 /nfs/dbraw/zinc/87/74/89/1023877489.db2.gz LFJJMBOYMZWARA-BJJXKVORSA-N -1 3 354.458 2.950 20 30 FFEDHM Cc1nc(-c2ncccn2)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000193376710 1024495535 /nfs/dbraw/zinc/49/55/35/1024495535.db2.gz QUZQQWZREFUCFS-CYBMUJFWSA-N -1 3 363.402 2.870 20 30 FFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759343803 1024570861 /nfs/dbraw/zinc/57/08/61/1024570861.db2.gz GPJRAEABDXHVCZ-ZDUSSCGKSA-N -1 3 374.418 2.554 20 30 FFEDHM C=CCOc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000837398319 1025777391 /nfs/dbraw/zinc/77/73/91/1025777391.db2.gz IITKWQAXQJWGON-UHFFFAOYSA-N -1 3 356.378 2.990 20 30 FFEDHM N#Cc1cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cnc1C(F)(F)F ZINC000837749449 1025997694 /nfs/dbraw/zinc/99/76/94/1025997694.db2.gz YPRCGOLGGZQQRC-UHFFFAOYSA-N -1 3 364.283 2.702 20 30 FFEDHM C#CCCOc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000091811128 1027070274 /nfs/dbraw/zinc/07/02/74/1027070274.db2.gz NIJQUAUASXXERN-UHFFFAOYSA-N -1 3 364.445 2.752 20 30 FFEDHM C#CCCOc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000091924229 1027133847 /nfs/dbraw/zinc/13/38/47/1027133847.db2.gz URHBTUYEFRBCAC-UHFFFAOYSA-N -1 3 364.445 2.752 20 30 FFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@H](C(=O)N2CCCC2)C(C)C)n1 ZINC001159140729 1027280479 /nfs/dbraw/zinc/28/04/79/1027280479.db2.gz WWZUENOMQJBEDF-CPWFCVNUSA-N -1 3 371.894 2.719 20 30 FFEDHM O=C(Cn1cc(C(F)(F)F)ccc1=O)N([O-])Cc1ccccc1Cl ZINC001161802346 1028317523 /nfs/dbraw/zinc/31/75/23/1028317523.db2.gz SBVOYFDHVHJQIE-UHFFFAOYSA-N -1 3 360.719 2.939 20 30 FFEDHM O=C(CNS(=O)(=O)c1ccccc1)N([O-])Cc1cccc2ccccc21 ZINC001161837196 1028328936 /nfs/dbraw/zinc/32/89/36/1028328936.db2.gz KJWVGSZETJTCGE-UHFFFAOYSA-N -1 3 370.430 2.536 20 30 FFEDHM Cc1ccc(CNC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)c(F)c1F ZINC001154559784 1028354199 /nfs/dbraw/zinc/35/41/99/1028354199.db2.gz SXHSPUSYSKJBLW-UHFFFAOYSA-N -1 3 353.328 2.916 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3cc(F)c(F)c(F)c3)cc(=O)c2c1 ZINC001154560176 1028354918 /nfs/dbraw/zinc/35/49/18/1028354918.db2.gz XMEFSWLTGHILOX-UHFFFAOYSA-N -1 3 357.291 2.747 20 30 FFEDHM Cc1ncc(Nc2cnc(Cl)nc2Oc2ccccc2C#N)c(=O)[n-]1 ZINC001162305597 1028497973 /nfs/dbraw/zinc/49/79/73/1028497973.db2.gz JCJBJKHTPXOUNT-LLVKDONJSA-N -1 3 354.757 2.604 20 30 FFEDHM CCNC(=O)c1cccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155913921 1028972446 /nfs/dbraw/zinc/97/24/46/1028972446.db2.gz CBWKLLNAZANXMG-UHFFFAOYSA-N -1 3 368.315 2.978 20 30 FFEDHM [O-]N=C(Nc1cnc2c(c1)OCCO2)c1ccc(OC(F)(F)F)cc1 ZINC001163766004 1029054141 /nfs/dbraw/zinc/05/41/41/1029054141.db2.gz QVWCZURBERRWMA-UHFFFAOYSA-N -1 3 355.272 2.999 20 30 FFEDHM Cc1cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])ccc1C#N ZINC000782790465 1029820791 /nfs/dbraw/zinc/82/07/91/1029820791.db2.gz CDSFLJYVAPRQHI-SFHVURJKSA-N -1 3 364.401 2.920 20 30 FFEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1-n1nnnc1C(C)C ZINC000783684694 1030234281 /nfs/dbraw/zinc/23/42/81/1030234281.db2.gz HFLBZGSEHNRXHF-UHFFFAOYSA-N -1 3 353.382 2.962 20 30 FFEDHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)N[C@H]1CCCN([O-])C1=O ZINC001203566561 1030766268 /nfs/dbraw/zinc/76/62/68/1030766268.db2.gz ZUESKMJKHWQXAT-JTQLQIEISA-N -1 3 351.712 2.861 20 30 FFEDHM C=CCn1cc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)nn1 ZINC000842686014 1030899978 /nfs/dbraw/zinc/89/99/78/1030899978.db2.gz JEKYDSKARCVQPP-OAHLLOKOSA-N -1 3 351.410 2.550 20 30 FFEDHM COc1ccccc1CO[N-]C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000799090188 1031642945 /nfs/dbraw/zinc/64/29/45/1031642945.db2.gz IVWMRCVGEFTCFP-UHFFFAOYSA-N -1 3 356.426 2.603 20 30 FFEDHM N#Cc1cc(NC(=O)c2n[nH]c3ncc(Br)cc23)ccc1[O-] ZINC001151738330 1032019517 /nfs/dbraw/zinc/01/95/17/1032019517.db2.gz CIBIRFQMZAILJX-UHFFFAOYSA-N -1 3 358.155 2.550 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](O/C(=N\[O-])c2ccccn2)C1 ZINC001223977054 1033664446 /nfs/dbraw/zinc/66/44/46/1033664446.db2.gz FCCWAMKTOAFUOI-VJJRLMPCSA-N -1 3 353.394 2.972 20 30 FFEDHM C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967517 1033864796 /nfs/dbraw/zinc/86/47/96/1033864796.db2.gz NNGRLPVGHYTUPX-SFHVURJKSA-N -1 3 350.821 2.775 20 30 FFEDHM C=CCN1C(=O)C[C@]2(CCCN(Cc3cc(F)c([O-])c(Cl)c3)C2)C1=O ZINC001276992796 1033983321 /nfs/dbraw/zinc/98/33/21/1033983321.db2.gz YYSXVDJYOVQHJG-SFHVURJKSA-N -1 3 366.820 2.712 20 30 FFEDHM CC(C)(C)OC(=O)N1CC2(C1)CCC(Oc1nccc(/C=N/[O-])n1)CC2 ZINC001226254046 1034594728 /nfs/dbraw/zinc/59/47/28/1034594728.db2.gz PDPAURHLVMGLHC-KEBDBYFISA-N -1 3 362.430 2.843 20 30 FFEDHM CC(=O)c1ccc([O-])c(O[C@H]2CCN(Cc3ccccc3C#N)C2)c1O ZINC001226483892 1034708323 /nfs/dbraw/zinc/70/83/23/1034708323.db2.gz ZZRKYPQTGPZVNM-INIZCTEOSA-N -1 3 352.390 2.825 20 30 FFEDHM C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(OCC(=O)[O-])cc1)C2 ZINC001138925885 1034814815 /nfs/dbraw/zinc/81/48/15/1034814815.db2.gz YCDNSZGPTXASNH-OAQYLSRUSA-N -1 3 372.465 2.683 20 30 FFEDHM N#Cc1ccc([O-])c(OC2CCN(C(=O)c3cccnc3Cl)CC2)c1 ZINC001227345595 1035513407 /nfs/dbraw/zinc/51/34/07/1035513407.db2.gz OMBBHCWQHAVZCY-UHFFFAOYSA-N -1 3 357.797 2.996 20 30 FFEDHM N#Cc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)c([O-])c1 ZINC001233383564 1036581474 /nfs/dbraw/zinc/58/14/74/1036581474.db2.gz MUQJWXUBKNEEFM-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1cccc([O-])c1C(N)=O ZINC001234151583 1036944791 /nfs/dbraw/zinc/94/47/91/1036944791.db2.gz DEOYKNPHGNWBSX-GFCCVEGCSA-N -1 3 365.307 2.970 20 30 FFEDHM C=CCN1CC[C@]2(CCCN2Cc2ccc(Br)c([O-])c2)C1=O ZINC001277548758 1037793389 /nfs/dbraw/zinc/79/33/89/1037793389.db2.gz RFCWMZGGLXEPOU-QGZVFWFLSA-N -1 3 365.271 2.908 20 30 FFEDHM C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccccc1OCC(=O)[O-])C2 ZINC001231790108 1037911026 /nfs/dbraw/zinc/91/10/26/1037911026.db2.gz ITCZJBPPWJXZMV-NRFANRHFSA-N -1 3 372.465 2.683 20 30 FFEDHM N#Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC001232118239 1038180799 /nfs/dbraw/zinc/18/07/99/1038180799.db2.gz LKDJFLGYLWAHMF-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM C=CCN1C[C@]2(CCN(Cc3c([O-])ccc(Cl)c3Cl)C2)OCC1=O ZINC001277992047 1038193462 /nfs/dbraw/zinc/19/34/62/1038193462.db2.gz AQSACCXCZHPOCM-QGZVFWFLSA-N -1 3 371.264 2.688 20 30 FFEDHM O=C(OCc1ccccc1-c1c([O-])cccc1F)ON1C(=O)CCC1=O ZINC001245655856 1039082310 /nfs/dbraw/zinc/08/23/10/1039082310.db2.gz KFIKHOIMVOQQHO-UHFFFAOYSA-N -1 3 359.309 2.916 20 30 FFEDHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2)CC1 ZINC001258266372 1039292076 /nfs/dbraw/zinc/29/20/76/1039292076.db2.gz FGTHNSFSMHCNBK-UHFFFAOYSA-N -1 3 370.478 2.501 20 30 FFEDHM N#Cc1cccc(S(=O)(=O)[N-][C@@H](c2ccc(O)cc2)C(F)(F)F)c1 ZINC001259127291 1039733802 /nfs/dbraw/zinc/73/38/02/1039733802.db2.gz KWVSSRIURURQOV-AWEZNQCLSA-N -1 3 356.325 2.846 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001263062597 1042078269 /nfs/dbraw/zinc/07/82/69/1042078269.db2.gz YWHLTGZYIWYZJG-MSOLQXFVSA-N -1 3 357.454 2.639 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001263288449 1042223674 /nfs/dbraw/zinc/22/36/74/1042223674.db2.gz SKMDMTBXHKMZCY-ZJUUUORDSA-N -1 3 353.883 2.623 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001263288449 1042223677 /nfs/dbraw/zinc/22/36/77/1042223677.db2.gz SKMDMTBXHKMZCY-ZJUUUORDSA-N -1 3 353.883 2.623 20 30 FFEDHM N#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccsc2)c([O-])c1 ZINC001279497463 1043187891 /nfs/dbraw/zinc/18/78/91/1043187891.db2.gz FYDLXQNJNQFJBT-HDICACEKSA-N -1 3 367.474 2.743 20 30 FFEDHM C=CCN(CC=C)CCN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237623127 1043279049 /nfs/dbraw/zinc/27/90/49/1043279049.db2.gz IMTLHCNRWHETIR-UHFFFAOYSA-N -1 3 367.896 2.976 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001309505650 1043413955 /nfs/dbraw/zinc/41/39/55/1043413955.db2.gz LZZWQUICUJIWGQ-KGLIPLIRSA-N -1 3 350.465 2.740 20 30 FFEDHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cc2)CCO1 ZINC001319044563 1045001569 /nfs/dbraw/zinc/00/15/69/1045001569.db2.gz GLOGJBMXFJUCAZ-HNNXBMFYSA-N -1 3 371.462 2.779 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cnn(C(C)(C)C)c1 ZINC001317911092 1045169075 /nfs/dbraw/zinc/16/90/75/1045169075.db2.gz GIMMMPJPQWIRMX-UHFFFAOYSA-N -1 3 371.466 2.992 20 30 FFEDHM Cc1ccc(C2=NO[C@H](C/N=C3/[N-]S(=O)(=O)c4ccccc43)C2)cc1C ZINC001321260075 1045604659 /nfs/dbraw/zinc/60/46/59/1045604659.db2.gz XHGCUNPAFWJMNA-HNNXBMFYSA-N -1 3 369.446 2.535 20 30 FFEDHM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc1 ZINC001323495586 1045611559 /nfs/dbraw/zinc/61/15/59/1045611559.db2.gz GVKRFFOHIYTDGF-NYYWCZLTSA-N -1 3 372.402 2.576 20 30 FFEDHM C[C@@H]1CCc2nc(C=N[N-]S(=O)(=O)CCc3ccccc3)sc2C1 ZINC001324474163 1046050264 /nfs/dbraw/zinc/05/02/64/1046050264.db2.gz SEEJWYRZEFXMHZ-CYBMUJFWSA-N -1 3 363.508 2.764 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(c2ccc(F)cc2)C1 ZINC001326532079 1046970471 /nfs/dbraw/zinc/97/04/71/1046970471.db2.gz REMAYCQUELTTDE-UHFFFAOYSA-N -1 3 353.397 2.973 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)COc3cccc(C#N)c3)nc21 ZINC001289645009 1047714322 /nfs/dbraw/zinc/71/43/22/1047714322.db2.gz YIWVEDDOFURTHA-UHFFFAOYSA-N -1 3 364.361 2.629 20 30 FFEDHM CC[C@@H](CNC(=O)c1[n-]c(=O)c(C#N)cc1C)N1CCc2ccccc2C1 ZINC001540748969 1070985599 /nfs/dbraw/zinc/98/55/99/1070985599.db2.gz NQTDFMOBDNLHRO-SFHVURJKSA-N -1 3 364.449 2.534 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001329562266 1048777088 /nfs/dbraw/zinc/77/70/88/1048777088.db2.gz CBDUEROOSPDKGV-UHFFFAOYSA-N -1 3 371.478 2.989 20 30 FFEDHM C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001292320822 1049275451 /nfs/dbraw/zinc/27/54/51/1049275451.db2.gz IRDVDYPCVVSANS-ZIAGYGMSSA-N -1 3 370.371 2.868 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3nc(C)c(C#N)cc3Cl)C2)n1 ZINC001339814321 1050234936 /nfs/dbraw/zinc/23/49/36/1050234936.db2.gz ABXRMBKTZNVEBU-ZDUSSCGKSA-N -1 3 358.833 2.800 20 30 FFEDHM C#CC[C@@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2Cc2ccccc2)C1 ZINC001340591869 1050978158 /nfs/dbraw/zinc/97/81/58/1050978158.db2.gz AMUFQPYINMBCIN-MRXNPFEDSA-N -1 3 374.448 2.729 20 30 FFEDHM C=C[C@H](COC)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001342779591 1051391552 /nfs/dbraw/zinc/39/15/52/1051391552.db2.gz YDNYXCKHXORFHD-IEBWSBKVSA-N -1 3 368.433 2.571 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(Nc3ccn(C)n3)n2CCOC)c1[O-] ZINC001341173409 1051529458 /nfs/dbraw/zinc/52/94/58/1051529458.db2.gz QCBBMJHCXNVNAO-UHFFFAOYSA-N -1 3 368.441 2.893 20 30 FFEDHM Cc1oc(C(C)C)nc1C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892201 1052213366 /nfs/dbraw/zinc/21/33/66/1052213366.db2.gz BJPKSTCEMBCZOJ-UHFFFAOYSA-N -1 3 371.393 2.624 20 30 FFEDHM CCCCN([O-])C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC001306897195 1052214318 /nfs/dbraw/zinc/21/43/18/1052214318.db2.gz CQNJKPVWAKTPJZ-AWEZNQCLSA-N -1 3 369.259 2.958 20 30 FFEDHM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898526 1052215847 /nfs/dbraw/zinc/21/58/47/1052215847.db2.gz HIHRPHXPKISEJO-VPRWNFCTSA-N -1 3 352.431 2.801 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1cc(C#N)cs1 ZINC001343420895 1052220880 /nfs/dbraw/zinc/22/08/80/1052220880.db2.gz WLKYCPKJPSCQOL-UHFFFAOYSA-N -1 3 374.861 2.862 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1cc(C#N)cs1 ZINC001343420895 1052220887 /nfs/dbraw/zinc/22/08/87/1052220887.db2.gz WLKYCPKJPSCQOL-UHFFFAOYSA-N -1 3 374.861 2.862 20 30 FFEDHM CC(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001343693683 1052376711 /nfs/dbraw/zinc/37/67/11/1052376711.db2.gz GAMFOVHSXJVQFS-UHFFFAOYSA-N -1 3 368.832 2.764 20 30 FFEDHM CC(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001343693683 1052376716 /nfs/dbraw/zinc/37/67/16/1052376716.db2.gz GAMFOVHSXJVQFS-UHFFFAOYSA-N -1 3 368.832 2.764 20 30 FFEDHM C=CCN(C)c1nnc(-c2sc3ncccc3c2[O-])n1C[C@H]1CCOC1 ZINC001343988787 1052531048 /nfs/dbraw/zinc/53/10/48/1052531048.db2.gz VJGJSACTORJNIR-GFCCVEGCSA-N -1 3 371.466 2.919 20 30 FFEDHM C=C[C@H](C(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1)c1ccccc1 ZINC001347422374 1053965584 /nfs/dbraw/zinc/96/55/84/1053965584.db2.gz NDZNLMDHJHJZRL-KRWDZBQOSA-N -1 3 352.438 2.545 20 30 FFEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2cnc[n-]c2=O)n1C[C@@H]1CCCO1 ZINC001347905030 1054443022 /nfs/dbraw/zinc/44/30/22/1054443022.db2.gz BKMSPABUVIIJCZ-CABCVRRESA-N -1 3 370.457 2.555 20 30 FFEDHM N#Cc1csc(CN[C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])n1 ZINC001351741550 1054977870 /nfs/dbraw/zinc/97/78/70/1054977870.db2.gz GDQWRCTUKZBIPB-LBPRGKRZSA-N -1 3 371.340 2.699 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CCC(Nc3nc(C#N)c(Cl)s3)CC2)n1 ZINC001338101130 1055232690 /nfs/dbraw/zinc/23/26/90/1055232690.db2.gz YXHCVRSIDZOCNR-UHFFFAOYSA-N -1 3 350.835 2.553 20 30 FFEDHM C=CCOCCCCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001349593971 1055358216 /nfs/dbraw/zinc/35/82/16/1055358216.db2.gz ANZZGIFPNYACRY-UHFFFAOYSA-N -1 3 361.847 2.851 20 30 FFEDHM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC001349812586 1055481262 /nfs/dbraw/zinc/48/12/62/1055481262.db2.gz VVVDTEHVUQNKEU-INIZCTEOSA-N -1 3 361.829 2.858 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCOC2(CCC2)C1 ZINC001543854666 1071557709 /nfs/dbraw/zinc/55/77/09/1071557709.db2.gz OKRHFNZEXYOGHP-OAHLLOKOSA-N -1 3 357.454 2.674 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCN(CC)CC1 ZINC001338634783 1055686546 /nfs/dbraw/zinc/68/65/46/1055686546.db2.gz BYGUGYKMIQXITO-UHFFFAOYSA-N -1 3 370.482 2.588 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001339014540 1056015921 /nfs/dbraw/zinc/01/59/21/1056015921.db2.gz IWYHPJZRBBKOLS-CYBMUJFWSA-N -1 3 367.409 2.827 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(N(C)C)cn2)cc1 ZINC000847623852 1056196240 /nfs/dbraw/zinc/19/62/40/1056196240.db2.gz OQZIUNKYWMKERN-MRXNPFEDSA-N -1 3 365.437 2.846 20 30 FFEDHM COC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(CCC#N)cc1)c1ccccc1 ZINC001353324652 1056296233 /nfs/dbraw/zinc/29/62/33/1056296233.db2.gz TVSZURMDBGPBFW-LJQANCHMSA-N -1 3 372.446 2.509 20 30 FFEDHM N#CC1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2ccccc2)CC1 ZINC001354358508 1058900391 /nfs/dbraw/zinc/90/03/91/1058900391.db2.gz NEGOGRIHDMMRDI-UHFFFAOYSA-N -1 3 368.832 2.505 20 30 FFEDHM N#CC1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2ccccc2)CC1 ZINC001354358508 1058900401 /nfs/dbraw/zinc/90/04/01/1058900401.db2.gz NEGOGRIHDMMRDI-UHFFFAOYSA-N -1 3 368.832 2.505 20 30 FFEDHM C=CCCC(=O)N[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1CC ZINC001519728882 1059003744 /nfs/dbraw/zinc/00/37/44/1059003744.db2.gz WUFZTUSQGUZHED-FUHWJXTLSA-N -1 3 367.449 2.604 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000848131620 1059098647 /nfs/dbraw/zinc/09/86/47/1059098647.db2.gz AVWPQLXHXHSWPU-LJQANCHMSA-N -1 3 352.434 2.584 20 30 FFEDHM C[C@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1cccc(C(=O)c2ccccc2)c1 ZINC000848134589 1059104342 /nfs/dbraw/zinc/10/43/42/1059104342.db2.gz BWXIXSZSRLIYPT-KSSFIOAISA-N -1 3 366.417 2.518 20 30 FFEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC001517658044 1060583457 /nfs/dbraw/zinc/58/34/57/1060583457.db2.gz UBPDOAGIMXIMET-STQMWFEESA-N -1 3 358.182 2.838 20 30 FFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC001463395614 1062084696 /nfs/dbraw/zinc/08/46/96/1062084696.db2.gz XLDZGBGKUPJTAM-SNVBAGLBSA-N -1 3 373.276 2.515 20 30 FFEDHM C=CCn1cc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)nn1 ZINC001529717140 1062384315 /nfs/dbraw/zinc/38/43/15/1062384315.db2.gz SBQJTKHLZHIZOV-UHFFFAOYSA-N -1 3 360.830 2.812 20 30 FFEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC001464437488 1062611984 /nfs/dbraw/zinc/61/19/84/1062611984.db2.gz ZBZWMMBHVXVKDP-UHFFFAOYSA-N -1 3 360.863 2.792 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(SC)CC1 ZINC001523811562 1062629450 /nfs/dbraw/zinc/62/94/50/1062629450.db2.gz GBCVBXQPIRNDBM-UHFFFAOYSA-N -1 3 353.883 2.625 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(SC)CC1 ZINC001523811562 1062629456 /nfs/dbraw/zinc/62/94/56/1062629456.db2.gz GBCVBXQPIRNDBM-UHFFFAOYSA-N -1 3 353.883 2.625 20 30 FFEDHM CCOC(=O)[C@H](CCCC(C)C)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001464484426 1062638294 /nfs/dbraw/zinc/63/82/94/1062638294.db2.gz QSNXMHWANUSETC-KRWDZBQOSA-N -1 3 366.483 2.736 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001524189165 1062748854 /nfs/dbraw/zinc/74/88/54/1062748854.db2.gz KTUUSRBABRONRO-AWEZNQCLSA-N -1 3 357.336 2.994 20 30 FFEDHM Cn1cc(C#N)c([N-]C(=O)c2cc(-c3ccc(Br)cc3)no2)n1 ZINC001524280726 1062785878 /nfs/dbraw/zinc/78/58/78/1062785878.db2.gz DKJPSTGISZWMCU-UHFFFAOYSA-N -1 3 372.182 2.962 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001575494571 1078145368 /nfs/dbraw/zinc/14/53/68/1078145368.db2.gz RLLKSLFJFFGJFT-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001575494571 1078145371 /nfs/dbraw/zinc/14/53/71/1078145371.db2.gz RLLKSLFJFFGJFT-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001472621078 1065113075 /nfs/dbraw/zinc/11/30/75/1065113075.db2.gz GEWIVCZWRMGRDO-UHFFFAOYSA-N -1 3 371.340 2.831 20 30 FFEDHM COC(=O)c1ncoc1CCC(=O)N([O-])Cc1cccc2ccccc21 ZINC001472623195 1065114646 /nfs/dbraw/zinc/11/46/46/1065114646.db2.gz XNGRVPIVDGGSQA-UHFFFAOYSA-N -1 3 354.362 2.965 20 30 FFEDHM C[C@H](CSc1ccccc1)N(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001473616342 1065299472 /nfs/dbraw/zinc/29/94/72/1065299472.db2.gz PIPUKAMKKQJFHW-CYBMUJFWSA-N -1 3 353.451 2.919 20 30 FFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(Cc2c(F)cccc2F)C1 ZINC001581874547 1079012615 /nfs/dbraw/zinc/01/26/15/1079012615.db2.gz WCAJTTICWZZGSZ-UHFFFAOYSA-N -1 3 352.348 2.695 20 30 FFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(Cc2c(F)cccc2F)C1 ZINC001581874547 1079012620 /nfs/dbraw/zinc/01/26/20/1079012620.db2.gz WCAJTTICWZZGSZ-UHFFFAOYSA-N -1 3 352.348 2.695 20 30 FFEDHM N#Cc1cccc([C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC001581875089 1079013307 /nfs/dbraw/zinc/01/33/07/1079013307.db2.gz VEROXYXTUJHKBE-AWEZNQCLSA-N -1 3 372.310 2.772 20 30 FFEDHM N#Cc1cccc([C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC001581875089 1079013314 /nfs/dbraw/zinc/01/33/14/1079013314.db2.gz VEROXYXTUJHKBE-AWEZNQCLSA-N -1 3 372.310 2.772 20 30 FFEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)n1nnc(-c2ccccc2)n1 ZINC001559033434 1076118017 /nfs/dbraw/zinc/11/80/17/1076118017.db2.gz INHVTRGALRAOLL-GFCCVEGCSA-N -1 3 357.801 2.973 20 30 FFEDHM O=C(c1cn(Cc2ccccn2)nn1)N([O-])Cc1cccc2ccccc21 ZINC001559036262 1076118267 /nfs/dbraw/zinc/11/82/67/1076118267.db2.gz ARJOXXLKWQNLSR-UHFFFAOYSA-N -1 3 359.389 2.906 20 30 FFEDHM CCCCN([O-])C(=O)c1cnn(C(C)(C)C)c1I ZINC001559035292 1076118342 /nfs/dbraw/zinc/11/83/42/1076118342.db2.gz KQWAGZVNWOCZSK-UHFFFAOYSA-N -1 3 365.215 2.874 20 30 FFEDHM O=C(c1cc(F)c(N2CCOCC2)c(F)c1)N([O-])Cc1ccc(F)cc1 ZINC001559037464 1076119026 /nfs/dbraw/zinc/11/90/26/1076119026.db2.gz XZINCEXZCJBWIY-UHFFFAOYSA-N -1 3 366.339 2.972 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001573341516 1077675222 /nfs/dbraw/zinc/67/52/22/1077675222.db2.gz NGTUXVHQPJFVCA-UHFFFAOYSA-N -1 3 354.801 2.744 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588325765 1079983297 /nfs/dbraw/zinc/98/32/97/1079983297.db2.gz VFQLETBHKYCAIP-AWEZNQCLSA-N -1 3 363.219 2.553 20 30 FFEDHM C#C[C@@](C)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588325765 1079983301 /nfs/dbraw/zinc/98/33/01/1079983301.db2.gz VFQLETBHKYCAIP-AWEZNQCLSA-N -1 3 363.219 2.553 20 30 FFEDHM C#C[C@@H](NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001588329367 1079985156 /nfs/dbraw/zinc/98/51/56/1079985156.db2.gz FAUYDUYZXUFKLK-MOPGFXCFSA-N -1 3 372.432 2.918 20 30 FFEDHM C#C[C@@H](NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001588329367 1079985158 /nfs/dbraw/zinc/98/51/58/1079985158.db2.gz FAUYDUYZXUFKLK-MOPGFXCFSA-N -1 3 372.432 2.918 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001588329323 1079986082 /nfs/dbraw/zinc/98/60/82/1079986082.db2.gz DFAXEOBAKPRTMP-AWEZNQCLSA-N -1 3 366.356 2.510 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001588329323 1079986088 /nfs/dbraw/zinc/98/60/88/1079986088.db2.gz DFAXEOBAKPRTMP-AWEZNQCLSA-N -1 3 366.356 2.510 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(C)(C)C ZINC001588329987 1079986236 /nfs/dbraw/zinc/98/62/36/1079986236.db2.gz SEBJTXFCGXAHFV-HNNXBMFYSA-N -1 3 356.430 2.823 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(C)(C)C ZINC001588329987 1079986239 /nfs/dbraw/zinc/98/62/39/1079986239.db2.gz SEBJTXFCGXAHFV-HNNXBMFYSA-N -1 3 356.430 2.823 20 30 FFEDHM C#CC[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001588334695 1079988776 /nfs/dbraw/zinc/98/87/76/1079988776.db2.gz HCNQLATZPXYQDL-LZLYRXPVSA-N -1 3 359.389 2.673 20 30 FFEDHM C#CC[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001588334695 1079988782 /nfs/dbraw/zinc/98/87/82/1079988782.db2.gz HCNQLATZPXYQDL-LZLYRXPVSA-N -1 3 359.389 2.673 20 30 FFEDHM C#CC[C@H](NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588334276 1079988973 /nfs/dbraw/zinc/98/89/73/1079988973.db2.gz RWPCCHDIMUHBDX-SFHVURJKSA-N -1 3 360.421 2.739 20 30 FFEDHM C#CC[C@H](NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588334276 1079988977 /nfs/dbraw/zinc/98/89/77/1079988977.db2.gz RWPCCHDIMUHBDX-SFHVURJKSA-N -1 3 360.421 2.739 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588334329 1079989115 /nfs/dbraw/zinc/98/91/15/1079989115.db2.gz UDFHZRWMXSDCPW-HNNXBMFYSA-N -1 3 362.462 2.788 20 30 FFEDHM C#CC[C@@H](Cc1ccccc1)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588334329 1079989118 /nfs/dbraw/zinc/98/91/18/1079989118.db2.gz UDFHZRWMXSDCPW-HNNXBMFYSA-N -1 3 362.462 2.788 20 30 FFEDHM C#CCCCC(=O)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588338828 1079990526 /nfs/dbraw/zinc/99/05/26/1079990526.db2.gz HIOAFYHOZGXVTG-CQSZACIVSA-N -1 3 370.432 2.602 20 30 FFEDHM C#CCCCC(=O)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588338828 1079990530 /nfs/dbraw/zinc/99/05/30/1079990530.db2.gz HIOAFYHOZGXVTG-CQSZACIVSA-N -1 3 370.432 2.602 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)NC(C)(C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588365280 1079995090 /nfs/dbraw/zinc/99/50/90/1079995090.db2.gz SEOMGYVVGUTXPA-CZIWCDLHSA-N -1 3 366.469 2.679 20 30 FFEDHM C#C[C@H]1CC[C@H](NC(=O)NC(C)(C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588365280 1079995093 /nfs/dbraw/zinc/99/50/93/1079995093.db2.gz SEOMGYVVGUTXPA-CZIWCDLHSA-N -1 3 366.469 2.679 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)C(C)(C)CC3)nc1 ZINC001588374028 1079996227 /nfs/dbraw/zinc/99/62/27/1079996227.db2.gz ZGFIPMYANKIOQF-UHFFFAOYSA-N -1 3 364.434 2.781 20 30 FFEDHM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)C(C)(C)CC3)nc1 ZINC001588374028 1079996232 /nfs/dbraw/zinc/99/62/32/1079996232.db2.gz ZGFIPMYANKIOQF-UHFFFAOYSA-N -1 3 364.434 2.781 20 30 FFEDHM C#Cc1cccc(NC(=S)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001588375245 1079997818 /nfs/dbraw/zinc/99/78/18/1079997818.db2.gz LVGJXZXRBLVHIY-UHFFFAOYSA-N -1 3 368.853 2.988 20 30 FFEDHM C#Cc1cccc(NC(=S)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001588375245 1079997825 /nfs/dbraw/zinc/99/78/25/1079997825.db2.gz LVGJXZXRBLVHIY-UHFFFAOYSA-N -1 3 368.853 2.988 20 30 FFEDHM C#Cc1ccccc1CC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588376810 1079998888 /nfs/dbraw/zinc/99/88/88/1079998888.db2.gz LVAXEMJOWJSAPH-UHFFFAOYSA-N -1 3 357.417 2.586 20 30 FFEDHM C#Cc1ccccc1CC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588376810 1079998897 /nfs/dbraw/zinc/99/88/97/1079998897.db2.gz LVAXEMJOWJSAPH-UHFFFAOYSA-N -1 3 357.417 2.586 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588396862 1080007996 /nfs/dbraw/zinc/00/79/96/1080007996.db2.gz OJWRTOZBXFNRQV-UHFFFAOYSA-N -1 3 369.473 2.562 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588396862 1080008003 /nfs/dbraw/zinc/00/80/03/1080008003.db2.gz OJWRTOZBXFNRQV-UHFFFAOYSA-N -1 3 369.473 2.562 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588400691 1080010011 /nfs/dbraw/zinc/01/00/11/1080010011.db2.gz DRJIGJYDGITNSO-HNNXBMFYSA-N -1 3 354.458 2.508 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588400691 1080010022 /nfs/dbraw/zinc/01/00/22/1080010022.db2.gz DRJIGJYDGITNSO-HNNXBMFYSA-N -1 3 354.458 2.508 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588406490 1080011694 /nfs/dbraw/zinc/01/16/94/1080011694.db2.gz UYMGOJPJLUMVBI-CZUORRHYSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588406490 1080011701 /nfs/dbraw/zinc/01/17/01/1080011701.db2.gz UYMGOJPJLUMVBI-CZUORRHYSA-N -1 3 369.425 2.508 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588415237 1080019616 /nfs/dbraw/zinc/01/96/16/1080019616.db2.gz GJYQZAZJTHSBNV-ZBFHGGJFSA-N -1 3 369.473 2.705 20 30 FFEDHM C=C(C)CCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588415237 1080019624 /nfs/dbraw/zinc/01/96/24/1080019624.db2.gz GJYQZAZJTHSBNV-ZBFHGGJFSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H](CC)C1 ZINC001588469159 1080038610 /nfs/dbraw/zinc/03/86/10/1080038610.db2.gz XFYOHRCOSCSPIX-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H](CC)C1 ZINC001588469159 1080038622 /nfs/dbraw/zinc/03/86/22/1080038622.db2.gz XFYOHRCOSCSPIX-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588476072 1080043749 /nfs/dbraw/zinc/04/37/49/1080043749.db2.gz UUUILTPIQSJYMF-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588476072 1080043756 /nfs/dbraw/zinc/04/37/56/1080043756.db2.gz UUUILTPIQSJYMF-ZDUSSCGKSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@](C)(CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001588484648 1080048430 /nfs/dbraw/zinc/04/84/30/1080048430.db2.gz JSRCFRMCRPVJCL-IBGZPJMESA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@](C)(CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001588484648 1080048440 /nfs/dbraw/zinc/04/84/40/1080048440.db2.gz JSRCFRMCRPVJCL-IBGZPJMESA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588488927 1080052133 /nfs/dbraw/zinc/05/21/33/1080052133.db2.gz QYCWRJCLZAXFRL-LJQANCHMSA-N -1 3 371.489 2.761 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588488927 1080052139 /nfs/dbraw/zinc/05/21/39/1080052139.db2.gz QYCWRJCLZAXFRL-LJQANCHMSA-N -1 3 371.489 2.761 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)CC(C)C ZINC001588492159 1080054564 /nfs/dbraw/zinc/05/45/64/1080054564.db2.gz PBTRRVMHEZBTSE-KUHUBIRLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)CC(C)C ZINC001588492159 1080054568 /nfs/dbraw/zinc/05/45/68/1080054568.db2.gz PBTRRVMHEZBTSE-KUHUBIRLSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)CC(C)C ZINC001588492019 1080054817 /nfs/dbraw/zinc/05/48/17/1080054817.db2.gz NOKMRFIECISUST-HNAYVOBHSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)CC(C)C ZINC001588492019 1080054824 /nfs/dbraw/zinc/05/48/24/1080054824.db2.gz NOKMRFIECISUST-HNAYVOBHSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588521466 1080073280 /nfs/dbraw/zinc/07/32/80/1080073280.db2.gz NTUGPESFXMQQOO-LSDHHAIUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588521466 1080073286 /nfs/dbraw/zinc/07/32/86/1080073286.db2.gz NTUGPESFXMQQOO-LSDHHAIUSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588522536 1080074626 /nfs/dbraw/zinc/07/46/26/1080074626.db2.gz AYVSODMZYMVCDT-ZIAGYGMSSA-N -1 3 374.514 2.611 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588521974 1080074826 /nfs/dbraw/zinc/07/48/26/1080074826.db2.gz XFCUZAPFAGFQMV-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588521974 1080074833 /nfs/dbraw/zinc/07/48/33/1080074833.db2.gz XFCUZAPFAGFQMV-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588527913 1080077760 /nfs/dbraw/zinc/07/77/60/1080077760.db2.gz ZBLVVTKZCNYYKS-ZDUSSCGKSA-N -1 3 358.471 2.839 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588527913 1080077766 /nfs/dbraw/zinc/07/77/66/1080077766.db2.gz ZBLVVTKZCNYYKS-ZDUSSCGKSA-N -1 3 358.471 2.839 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CCNc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001588551870 1080091239 /nfs/dbraw/zinc/09/12/39/1080091239.db2.gz KAKYVSXBYMUQPB-AWEZNQCLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(C(=O)N[C@@H](C)CCNc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001588551870 1080091247 /nfs/dbraw/zinc/09/12/47/1080091247.db2.gz KAKYVSXBYMUQPB-AWEZNQCLSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001588552140 1080092631 /nfs/dbraw/zinc/09/26/31/1080092631.db2.gz PQFMHTAJAKQFLC-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001588552140 1080092636 /nfs/dbraw/zinc/09/26/36/1080092636.db2.gz PQFMHTAJAKQFLC-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588553198 1080092857 /nfs/dbraw/zinc/09/28/57/1080092857.db2.gz JAIYJVCOSRLVPM-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588553198 1080092865 /nfs/dbraw/zinc/09/28/65/1080092865.db2.gz JAIYJVCOSRLVPM-AWEZNQCLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(O)CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CC1 ZINC001588557307 1080094338 /nfs/dbraw/zinc/09/43/38/1080094338.db2.gz KCTSVHACTOLUCJ-UHFFFAOYSA-N -1 3 368.416 2.770 20 30 FFEDHM C=CCC1(O)CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CC1 ZINC001588557307 1080094344 /nfs/dbraw/zinc/09/43/44/1080094344.db2.gz KCTSVHACTOLUCJ-UHFFFAOYSA-N -1 3 368.416 2.770 20 30 FFEDHM C=CCC1(NC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CCCCC1 ZINC001588557968 1080097180 /nfs/dbraw/zinc/09/71/80/1080097180.db2.gz XYJKPHOJBSKFEJ-KRWDZBQOSA-N -1 3 366.469 2.912 20 30 FFEDHM C=CCC1(NC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CCCCC1 ZINC001588557968 1080097191 /nfs/dbraw/zinc/09/71/91/1080097191.db2.gz XYJKPHOJBSKFEJ-KRWDZBQOSA-N -1 3 366.469 2.912 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2-c2nnn[n-]2)C1 ZINC001588564872 1080100457 /nfs/dbraw/zinc/10/04/57/1080100457.db2.gz SSMZBDBZYXNLHJ-ZDUSSCGKSA-N -1 3 355.446 2.671 20 30 FFEDHM C=CC[C@H]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2-c2nn[n-]n2)C1 ZINC001588564872 1080100462 /nfs/dbraw/zinc/10/04/62/1080100462.db2.gz SSMZBDBZYXNLHJ-ZDUSSCGKSA-N -1 3 355.446 2.671 20 30 FFEDHM C=CCCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001588567695 1080101356 /nfs/dbraw/zinc/10/13/56/1080101356.db2.gz XBBMZPNJSUAVMX-OLZOCXBDSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001588567695 1080101360 /nfs/dbraw/zinc/10/13/60/1080101360.db2.gz XBBMZPNJSUAVMX-OLZOCXBDSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCC(=O)NCC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001588572432 1080103908 /nfs/dbraw/zinc/10/39/08/1080103908.db2.gz INUSNOGFXLVSKP-ZIAGYGMSSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCCC(=O)NCC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001588572432 1080103914 /nfs/dbraw/zinc/10/39/14/1080103914.db2.gz INUSNOGFXLVSKP-ZIAGYGMSSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CCCCCCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001588593343 1080115887 /nfs/dbraw/zinc/11/58/87/1080115887.db2.gz COTAOJXNZNTWNY-UHFFFAOYSA-N -1 3 367.450 2.562 20 30 FFEDHM C=CCCCCCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588593343 1080115891 /nfs/dbraw/zinc/11/58/91/1080115891.db2.gz COTAOJXNZNTWNY-UHFFFAOYSA-N -1 3 367.450 2.562 20 30 FFEDHM C=CCCC[C@@H]1NC(=O)N([C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)C1=O ZINC001588594537 1080117518 /nfs/dbraw/zinc/11/75/18/1080117518.db2.gz VSHMVPXPGLEGIC-JKSUJKDBSA-N -1 3 366.425 2.521 20 30 FFEDHM C=CCCC[C@@H]1NC(=O)N([C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)C1=O ZINC001588594537 1080117520 /nfs/dbraw/zinc/11/75/20/1080117520.db2.gz VSHMVPXPGLEGIC-JKSUJKDBSA-N -1 3 366.425 2.521 20 30 FFEDHM C=CCCSCCNC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588617860 1080124193 /nfs/dbraw/zinc/12/41/93/1080124193.db2.gz DJVNXPBPSLQHGA-UHFFFAOYSA-N -1 3 360.487 2.710 20 30 FFEDHM C=CCCSCCNC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001588617860 1080124196 /nfs/dbraw/zinc/12/41/96/1080124196.db2.gz DJVNXPBPSLQHGA-UHFFFAOYSA-N -1 3 360.487 2.710 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC001588642192 1080135652 /nfs/dbraw/zinc/13/56/52/1080135652.db2.gz VVCCAARALFLTSE-HZPDHXFCSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC001588642192 1080135655 /nfs/dbraw/zinc/13/56/55/1080135655.db2.gz VVCCAARALFLTSE-HZPDHXFCSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2nc[nH]c21 ZINC001588647925 1080138452 /nfs/dbraw/zinc/13/84/52/1080138452.db2.gz GJMOPFHHAPFLRI-UHFFFAOYSA-N -1 3 359.393 2.571 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588653405 1080143602 /nfs/dbraw/zinc/14/36/02/1080143602.db2.gz HIPHFMSMVXUPTO-UHFFFAOYSA-N -1 3 352.373 2.538 20 30 FFEDHM C=CCN(Cc1ccccc1F)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588653405 1080143608 /nfs/dbraw/zinc/14/36/08/1080143608.db2.gz HIPHFMSMVXUPTO-UHFFFAOYSA-N -1 3 352.373 2.538 20 30 FFEDHM C=CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC001588695466 1080159757 /nfs/dbraw/zinc/15/97/57/1080159757.db2.gz WMCTZNVURAKPNH-UHFFFAOYSA-N -1 3 354.341 2.962 20 30 FFEDHM C=CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC001588695466 1080159762 /nfs/dbraw/zinc/15/97/62/1080159762.db2.gz WMCTZNVURAKPNH-UHFFFAOYSA-N -1 3 354.341 2.962 20 30 FFEDHM C=CCc1ccccc1OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588694513 1080159883 /nfs/dbraw/zinc/15/98/83/1080159883.db2.gz KSNRJCVBXWHMTO-CYBMUJFWSA-N -1 3 350.378 2.968 20 30 FFEDHM C=CCn1c(C)cc(C(=O)CSc2ccc(-c3nnn[n-]3)cn2)c1C ZINC001588703825 1080162431 /nfs/dbraw/zinc/16/24/31/1080162431.db2.gz UVBCCLBTPOEXLB-UHFFFAOYSA-N -1 3 354.439 2.841 20 30 FFEDHM C=CCn1c(C)cc(C(=O)CSc2ccc(-c3nn[n-]n3)cn2)c1C ZINC001588703825 1080162433 /nfs/dbraw/zinc/16/24/33/1080162433.db2.gz UVBCCLBTPOEXLB-UHFFFAOYSA-N -1 3 354.439 2.841 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3cc(-c4nnn[n-]4)ccc3C)cc2n1 ZINC001588717037 1080168402 /nfs/dbraw/zinc/16/84/02/1080168402.db2.gz PTZYTUPVAJFGHP-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3cc(-c4nn[n-]n4)ccc3C)cc2n1 ZINC001588717037 1080168404 /nfs/dbraw/zinc/16/84/04/1080168404.db2.gz PTZYTUPVAJFGHP-UHFFFAOYSA-N -1 3 359.393 2.963 20 30 FFEDHM CC(=O)Nc1ccc(C(C)=NOCc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001588874472 1080224809 /nfs/dbraw/zinc/22/48/09/1080224809.db2.gz OQOWMHLREUHHCW-UHFFFAOYSA-N -1 3 368.372 2.905 20 30 FFEDHM CC(=O)Nc1ccc(C(C)=NOCc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001588874472 1080224819 /nfs/dbraw/zinc/22/48/19/1080224819.db2.gz OQOWMHLREUHHCW-UHFFFAOYSA-N -1 3 368.372 2.905 20 30 FFEDHM CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589059098 1080330944 /nfs/dbraw/zinc/33/09/44/1080330944.db2.gz NBOSWLJWKVQFDL-ABAIWWIYSA-N -1 3 357.389 2.909 20 30 FFEDHM CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589059098 1080330951 /nfs/dbraw/zinc/33/09/51/1080330951.db2.gz NBOSWLJWKVQFDL-ABAIWWIYSA-N -1 3 357.389 2.909 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001589201811 1080414610 /nfs/dbraw/zinc/41/46/10/1080414610.db2.gz CKUOJOTZEIBCFU-LBPRGKRZSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001589201811 1080414616 /nfs/dbraw/zinc/41/46/16/1080414616.db2.gz CKUOJOTZEIBCFU-LBPRGKRZSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)=CCC[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589370452 1080506561 /nfs/dbraw/zinc/50/65/61/1080506561.db2.gz AWEUXFRPOXGOSG-WMLDXEAASA-N -1 3 352.442 2.800 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC(C)(C)CC#N ZINC001589488380 1080559777 /nfs/dbraw/zinc/55/97/77/1080559777.db2.gz NGWRSWXIUSOONB-HNNXBMFYSA-N -1 3 357.414 2.753 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC(C)(C)CC#N ZINC001589488380 1080559787 /nfs/dbraw/zinc/55/97/87/1080559787.db2.gz NGWRSWXIUSOONB-HNNXBMFYSA-N -1 3 357.414 2.753 20 30 FFEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1ncc(-c2nnn[n-]2)cc1F ZINC001589626262 1080640781 /nfs/dbraw/zinc/64/07/81/1080640781.db2.gz RODKGMONENJOTO-UHFFFAOYSA-N -1 3 351.389 2.935 20 30 FFEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1ncc(-c2nn[n-]n2)cc1F ZINC001589626262 1080640783 /nfs/dbraw/zinc/64/07/83/1080640783.db2.gz RODKGMONENJOTO-UHFFFAOYSA-N -1 3 351.389 2.935 20 30 FFEDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589802644 1080759681 /nfs/dbraw/zinc/75/96/81/1080759681.db2.gz HSYCQOCRNNDFKK-MEDUHNTESA-N -1 3 352.373 2.802 20 30 FFEDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589802644 1080759689 /nfs/dbraw/zinc/75/96/89/1080759689.db2.gz HSYCQOCRNNDFKK-MEDUHNTESA-N -1 3 352.373 2.802 20 30 FFEDHM C[C@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589933245 1080875296 /nfs/dbraw/zinc/87/52/96/1080875296.db2.gz YRRAMHNFNUOBTJ-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](NC(=O)N1Cc2ccc(C#N)cc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589933245 1080875305 /nfs/dbraw/zinc/87/53/05/1080875305.db2.gz YRRAMHNFNUOBTJ-LBPRGKRZSA-N -1 3 359.393 2.525 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC001590035844 1080961018 /nfs/dbraw/zinc/96/10/18/1080961018.db2.gz KPOZFOOALPWNGO-HWPZZCPQSA-N -1 3 362.434 2.541 20 30 FFEDHM C[C@@]1(C#N)CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001590054125 1080982573 /nfs/dbraw/zinc/98/25/73/1080982573.db2.gz JBADFBVZIPARCA-FQEVSTJZSA-N -1 3 373.420 2.986 20 30 FFEDHM CN(CCCOc1cccc(C#N)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131688473 251010853 /nfs/dbraw/zinc/01/08/53/251010853.db2.gz NESBTSGSFWUTSI-UHFFFAOYSA-N -1 3 354.435 2.757 20 30 FFEDHM N#Cc1cccc(CN[C@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000277541894 256209462 /nfs/dbraw/zinc/20/94/62/256209462.db2.gz ZRNSTDIBEIHXEC-GOSISDBHSA-N -1 3 356.447 2.913 20 30 FFEDHM CCOC(=O)Nc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1C#N ZINC000278206239 256287487 /nfs/dbraw/zinc/28/74/87/256287487.db2.gz SMPKDSUTAYJFRR-NSHDSACASA-N -1 3 370.287 2.504 20 30 FFEDHM C[C@@]1(C[C@H]2CCCN2c2ccc(C(F)(F)F)c(C#N)c2)NC(=O)[N-]C1=O ZINC000286293020 257029773 /nfs/dbraw/zinc/02/97/73/257029773.db2.gz HTCZHGCYMDQWHZ-WBMJQRKESA-N -1 3 366.343 2.534 20 30 FFEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3cccnc3C(F)(F)F)CC2)c1 ZINC000287822655 257117449 /nfs/dbraw/zinc/11/74/49/257117449.db2.gz NEAQEFGVZLBWOU-UHFFFAOYSA-N -1 3 367.352 2.940 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(COc2ccccc2)C1 ZINC000288663729 257215580 /nfs/dbraw/zinc/21/55/80/257215580.db2.gz UICJGIGTNFFXRJ-UHFFFAOYSA-N -1 3 365.433 2.746 20 30 FFEDHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000331070800 258176680 /nfs/dbraw/zinc/17/66/80/258176680.db2.gz RYAAAFKRYIBYEA-WBMJQRKESA-N -1 3 370.858 2.612 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(C#N)cc3F)C2)o1 ZINC000331639948 258194517 /nfs/dbraw/zinc/19/45/17/258194517.db2.gz RTZFNHHFWIZOPV-AWEZNQCLSA-N -1 3 363.414 2.546 20 30 FFEDHM CC[C@@H](CS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1)OC ZINC000421241460 513173543 /nfs/dbraw/zinc/17/35/43/513173543.db2.gz XMPUWDXDWNUURM-STQMWFEESA-N -1 3 350.362 2.614 20 30 FFEDHM Cc1cccc([C@H](CC(=O)Nc2nnc(-c3ccccn3)[n-]2)NC(N)=O)c1 ZINC000053527408 506398928 /nfs/dbraw/zinc/39/89/28/506398928.db2.gz NZDZGKSNCGBWHR-AWEZNQCLSA-N -1 3 365.397 2.563 20 30 FFEDHM Cc1cccc([C@H](CC(=O)Nc2nc(-c3ccccn3)n[n-]2)NC(N)=O)c1 ZINC000053527408 506398932 /nfs/dbraw/zinc/39/89/32/506398932.db2.gz NZDZGKSNCGBWHR-AWEZNQCLSA-N -1 3 365.397 2.563 20 30 FFEDHM Cc1cccc([C@H](CC(=O)Nc2n[n-]c(-c3ccccn3)n2)NC(N)=O)c1 ZINC000053527408 506398937 /nfs/dbraw/zinc/39/89/37/506398937.db2.gz NZDZGKSNCGBWHR-AWEZNQCLSA-N -1 3 365.397 2.563 20 30 FFEDHM COc1ccccc1-c1nc(NC(=O)Cn2c(C)c(C)sc2=O)n[n-]1 ZINC000055248181 506708280 /nfs/dbraw/zinc/70/82/80/506708280.db2.gz ZDQLDKNSRVCULQ-UHFFFAOYSA-N -1 3 359.411 2.609 20 30 FFEDHM N#C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C1CCCCC1 ZINC000044243179 506823581 /nfs/dbraw/zinc/82/35/81/506823581.db2.gz VDENWETWAYTKLQ-CYBMUJFWSA-N -1 3 358.261 2.595 20 30 FFEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1F ZINC000069346001 507471922 /nfs/dbraw/zinc/47/19/22/507471922.db2.gz AGEKDKCCOBGVLH-ZDUSSCGKSA-N -1 3 355.373 2.592 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(Cc3ccccc3)no2)ccc1F ZINC000109490063 507965757 /nfs/dbraw/zinc/96/57/57/507965757.db2.gz GJGNGUHMAKJCCU-UHFFFAOYSA-N -1 3 373.409 2.931 20 30 FFEDHM COc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1 ZINC000109533050 507967115 /nfs/dbraw/zinc/96/71/15/507967115.db2.gz UOVKLYSZBHYIAF-UHFFFAOYSA-N -1 3 350.378 2.707 20 30 FFEDHM C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccccc1 ZINC000133669466 508432812 /nfs/dbraw/zinc/43/28/12/508432812.db2.gz JZHZOQRJOUSEPD-INIZCTEOSA-N -1 3 362.451 2.933 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2nccs2)CCCC1 ZINC000116104204 508472722 /nfs/dbraw/zinc/47/27/22/508472722.db2.gz OHWFHLLMDDUHQA-UHFFFAOYSA-N -1 3 370.478 2.838 20 30 FFEDHM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157267226 508544874 /nfs/dbraw/zinc/54/48/74/508544874.db2.gz ZPCYPSLSIPWKDB-OAHLLOKOSA-N -1 3 357.391 2.741 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cccc(F)c2C1 ZINC000128213963 508563976 /nfs/dbraw/zinc/56/39/76/508563976.db2.gz KAGNLVNZJVLYLQ-UHFFFAOYSA-N -1 3 353.397 2.520 20 30 FFEDHM N#Cc1cccc(NC(=O)CCSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000117113201 508579908 /nfs/dbraw/zinc/57/99/08/508579908.db2.gz PQPOCSMVCHRRBJ-UHFFFAOYSA-N -1 3 350.407 2.859 20 30 FFEDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000123098172 508635656 /nfs/dbraw/zinc/63/56/56/508635656.db2.gz AXBNFKOOJKIDOM-SECBINFHSA-N -1 3 351.409 2.876 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000123719427 508728944 /nfs/dbraw/zinc/72/89/44/508728944.db2.gz XMKMLBSPXINVTC-UHFFFAOYSA-N -1 3 361.405 2.620 20 30 FFEDHM Cn1ccnc1-c1cc(NC(=O)CSCc2ccc(C#N)cc2)n[n-]1 ZINC000119396334 508787713 /nfs/dbraw/zinc/78/77/13/508787713.db2.gz KDCQAVQHULTYOR-UHFFFAOYSA-N -1 3 352.423 2.554 20 30 FFEDHM Cn1ccnc1-c1cc(NC(=O)CSCc2ccc(C#N)cc2)[n-]n1 ZINC000119396334 508787717 /nfs/dbraw/zinc/78/77/17/508787717.db2.gz KDCQAVQHULTYOR-UHFFFAOYSA-N -1 3 352.423 2.554 20 30 FFEDHM C[C@]1(c2cccc(NC(=O)c3ccc(C#N)c(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000155131447 508930849 /nfs/dbraw/zinc/93/08/49/508930849.db2.gz ZCPXRZHCVVDWIM-GOSISDBHSA-N -1 3 368.780 2.519 20 30 FFEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1Br ZINC000120334048 508974875 /nfs/dbraw/zinc/97/48/75/508974875.db2.gz GMFJFDOREIXPFP-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM CCC1(CC)[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@H]1OC ZINC000151844591 509095397 /nfs/dbraw/zinc/09/53/97/509095397.db2.gz ZVDUFRVPWOQUIH-IAGOWNOFSA-N -1 3 359.470 2.506 20 30 FFEDHM CC#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000126583895 509098803 /nfs/dbraw/zinc/09/88/03/509098803.db2.gz XVPWYBYWJBCVHO-UHFFFAOYSA-N -1 3 362.838 2.894 20 30 FFEDHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156192790 509142655 /nfs/dbraw/zinc/14/26/55/509142655.db2.gz QWRLWSJUVMRXFM-UHFFFAOYSA-N -1 3 372.425 2.724 20 30 FFEDHM COC(=O)CSCc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000264002767 509275463 /nfs/dbraw/zinc/27/54/63/509275463.db2.gz LNQLEPNLJWAYSE-DNTJNYDQSA-N -1 3 360.435 2.745 20 30 FFEDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248478130 509338442 /nfs/dbraw/zinc/33/84/42/509338442.db2.gz PJCKDCFYDIBZNK-IFMYKAFSSA-N -1 3 374.915 2.570 20 30 FFEDHM CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000248550265 509358535 /nfs/dbraw/zinc/35/85/35/509358535.db2.gz KHWJQYJMQIHRIV-IFMYKAFSSA-N -1 3 374.915 2.570 20 30 FFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000163409101 509372407 /nfs/dbraw/zinc/37/24/07/509372407.db2.gz WEOSMMHBQMXNFT-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM COc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccc1O ZINC000264579212 509611004 /nfs/dbraw/zinc/61/10/04/509611004.db2.gz GFGHBRPJSXSHDX-UHFFFAOYSA-N -1 3 366.377 2.825 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000167052600 509624215 /nfs/dbraw/zinc/62/42/15/509624215.db2.gz KCKKFFXOIWNOBP-UHFFFAOYSA-N -1 3 351.653 2.931 20 30 FFEDHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000167649687 509637244 /nfs/dbraw/zinc/63/72/44/509637244.db2.gz HIVDHFAVQBYBRA-UHFFFAOYSA-N -1 3 366.874 2.548 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000183264680 509686592 /nfs/dbraw/zinc/68/65/92/509686592.db2.gz GNHRBWNQBRNBGJ-CYBMUJFWSA-N -1 3 363.266 2.594 20 30 FFEDHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180098178 509750635 /nfs/dbraw/zinc/75/06/35/509750635.db2.gz MNKPVUWXRADHHH-CJNGLKHVSA-N -1 3 356.875 2.941 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000186580811 509782953 /nfs/dbraw/zinc/78/29/53/509782953.db2.gz TYUQHVFKMNQQCC-MEDUHNTESA-N -1 3 370.858 2.877 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)CCCCC#N)C(=O)OCc1ccccc1 ZINC000265088655 509854555 /nfs/dbraw/zinc/85/45/55/509854555.db2.gz TZDLSGYNJHMQEK-KRWDZBQOSA-N -1 3 366.483 2.758 20 30 FFEDHM CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000183556403 509860129 /nfs/dbraw/zinc/86/01/29/509860129.db2.gz ICFHKQDDWMBEFM-UHFFFAOYSA-N -1 3 368.846 2.629 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000187618357 510356283 /nfs/dbraw/zinc/35/62/83/510356283.db2.gz SBNSUZCIWLMTBR-UHFFFAOYSA-N -1 3 352.394 2.514 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccccn2)c(C(F)(F)F)c1 ZINC000269380030 510372114 /nfs/dbraw/zinc/37/21/14/510372114.db2.gz XHVDNDZDBADIRI-UHFFFAOYSA-N -1 3 369.368 2.883 20 30 FFEDHM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000178222246 510495053 /nfs/dbraw/zinc/49/50/53/510495053.db2.gz RDAPGRFEBFBAET-CYBMUJFWSA-N -1 3 365.433 2.919 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)OCC ZINC000270073195 510662792 /nfs/dbraw/zinc/66/27/92/510662792.db2.gz XZCRDHNSZVEGPC-HNNXBMFYSA-N -1 3 370.471 2.767 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c(Cl)c1 ZINC000185148717 510713755 /nfs/dbraw/zinc/71/37/55/510713755.db2.gz RUVQQJXYVNCNPG-SFHVURJKSA-N -1 3 371.849 2.941 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000182216615 510818800 /nfs/dbraw/zinc/81/88/00/510818800.db2.gz HJCLJZAWNGIVGJ-YJYMSZOUSA-N -1 3 364.449 2.801 20 30 FFEDHM C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)C[C@@H](C)O1 ZINC000188616858 510844475 /nfs/dbraw/zinc/84/44/75/510844475.db2.gz LCUHBSKCIAPISP-HZPDHXFCSA-N -1 3 371.481 2.615 20 30 FFEDHM Cc1nc([C@H]2CCCN2C(=O)NCc2nnc(C(F)(F)F)[n-]2)cs1 ZINC000330097742 510915701 /nfs/dbraw/zinc/91/57/01/510915701.db2.gz BAXVXEFDKQGVFA-SECBINFHSA-N -1 3 360.365 2.840 20 30 FFEDHM Cc1nc([C@H]2CCCN2C(=O)NCc2n[n-]c(C(F)(F)F)n2)cs1 ZINC000330097742 510915705 /nfs/dbraw/zinc/91/57/05/510915705.db2.gz BAXVXEFDKQGVFA-SECBINFHSA-N -1 3 360.365 2.840 20 30 FFEDHM Cc1nc([C@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)n[n-]2)cs1 ZINC000330097742 510915709 /nfs/dbraw/zinc/91/57/09/510915709.db2.gz BAXVXEFDKQGVFA-SECBINFHSA-N -1 3 360.365 2.840 20 30 FFEDHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000282486597 510997622 /nfs/dbraw/zinc/99/76/22/510997622.db2.gz JLLYPOGPQLBWOZ-UHFFFAOYSA-N -1 3 370.858 2.735 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286492090 511025932 /nfs/dbraw/zinc/02/59/32/511025932.db2.gz WSEBAVLILOTPKK-SJCJKPOMSA-N -1 3 364.829 2.791 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000271057474 511070854 /nfs/dbraw/zinc/07/08/54/511070854.db2.gz UMQZWLMXWWXPDN-XYBDNECMSA-N -1 3 373.840 2.632 20 30 FFEDHM C=CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000290136787 511127953 /nfs/dbraw/zinc/12/79/53/511127953.db2.gz HDOGALBUSKZECP-OAHLLOKOSA-N -1 3 369.469 2.646 20 30 FFEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@]3(C#N)CCc4ccccc4C3)cn21 ZINC000333165797 511181072 /nfs/dbraw/zinc/18/10/72/511181072.db2.gz MSOJJMWYYDFSQK-IFXJQAMLSA-N -1 3 370.478 2.510 20 30 FFEDHM COc1ccc(OC)c(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000298176110 511199026 /nfs/dbraw/zinc/19/90/26/511199026.db2.gz TVWLAXBLGWSKGK-UHFFFAOYSA-N -1 3 369.421 2.542 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000320595794 511815083 /nfs/dbraw/zinc/81/50/83/511815083.db2.gz APIBBRLJTJZJCG-JTQLQIEISA-N -1 3 357.781 2.964 20 30 FFEDHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCCC12CCCCC2 ZINC000328809475 511933978 /nfs/dbraw/zinc/93/39/78/511933978.db2.gz DJQJCHNNOJXUCT-UHFFFAOYSA-N -1 3 371.528 2.739 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000281740059 511949917 /nfs/dbraw/zinc/94/99/17/511949917.db2.gz GWZDZVODPFVSCL-SWLSCSKDSA-N -1 3 369.259 2.935 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329080305 511978896 /nfs/dbraw/zinc/97/88/96/511978896.db2.gz CMZRREFEAYNBBA-RRFJBIMHSA-N -1 3 369.487 2.885 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@@H]2CCC(F)(F)C2)NC(=O)[N-]C1=O ZINC000329512989 512060726 /nfs/dbraw/zinc/06/07/26/512060726.db2.gz NQIBLUFAPBJNCE-JRPNMDOOSA-N -1 3 358.389 2.833 20 30 FFEDHM Cc1nc(C)c(CCC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(=O)[n-]1 ZINC000378356681 512714666 /nfs/dbraw/zinc/71/46/66/512714666.db2.gz TUDNMSXUHMFJEW-UHFFFAOYSA-N -1 3 362.433 2.919 20 30 FFEDHM CCCc1c(NC([O-])=NOCCCOC)cnn1-c1cccc(C#N)c1 ZINC000376628005 512907337 /nfs/dbraw/zinc/90/73/37/512907337.db2.gz IECAVCPXMGAYFY-UHFFFAOYSA-N -1 3 357.414 2.786 20 30 FFEDHM CCCc1c(NC(=O)[N-]OCCCOC)cnn1-c1cccc(C#N)c1 ZINC000376628005 512907340 /nfs/dbraw/zinc/90/73/40/512907340.db2.gz IECAVCPXMGAYFY-UHFFFAOYSA-N -1 3 357.414 2.786 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ccccc2OC1 ZINC000374606282 512913558 /nfs/dbraw/zinc/91/35/58/512913558.db2.gz AZEUQYMHRYRQOK-INIZCTEOSA-N -1 3 365.433 2.718 20 30 FFEDHM Cc1cn2c(n1)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CCC2 ZINC000370437938 512934103 /nfs/dbraw/zinc/93/41/03/512934103.db2.gz DHSPQOOOBJDWMP-ZDUSSCGKSA-N -1 3 364.858 2.573 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1[O-] ZINC000412222530 513003111 /nfs/dbraw/zinc/00/31/11/513003111.db2.gz SFKXVOLCTWUPMH-IBGZPJMESA-N -1 3 350.374 2.680 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)cc1Br ZINC000433859848 513168975 /nfs/dbraw/zinc/16/89/75/513168975.db2.gz QNTFEJHJNLVESK-UHFFFAOYSA-N -1 3 371.178 2.942 20 30 FFEDHM N#C[C@H]1CC[C@@H](Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)C1 ZINC000450782070 513338625 /nfs/dbraw/zinc/33/86/25/513338625.db2.gz VXVZKXDUFDQNNK-JOYOIKCWSA-N -1 3 369.450 2.889 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(OCCN(C)C)c1 ZINC000446824816 513344053 /nfs/dbraw/zinc/34/40/53/513344053.db2.gz WLGUHENVHLXOLF-UHFFFAOYSA-N -1 3 373.478 2.916 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CN2CCCC2)c2ccccc2)s1 ZINC000435420264 513578453 /nfs/dbraw/zinc/57/84/53/513578453.db2.gz CEOCZVAMNWBPQJ-MRXNPFEDSA-N -1 3 361.492 2.735 20 30 FFEDHM C[C@@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432277 513584942 /nfs/dbraw/zinc/58/49/42/513584942.db2.gz ICVFQRKABVILQL-NSHDSACASA-N -1 3 364.448 2.648 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N2CCCC2)s1 ZINC000435440257 513589081 /nfs/dbraw/zinc/58/90/81/513589081.db2.gz UZDZHLWCGCTICW-MRXNPFEDSA-N -1 3 361.492 2.735 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC000435443771 513591789 /nfs/dbraw/zinc/59/17/89/513591789.db2.gz PYZOBHAIQZLWDZ-AWEZNQCLSA-N -1 3 369.899 2.854 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1ccccc1F ZINC000435447424 513592748 /nfs/dbraw/zinc/59/27/48/513592748.db2.gz OYRPEHQNCRACQY-NSHDSACASA-N -1 3 354.428 2.895 20 30 FFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000435581794 513624089 /nfs/dbraw/zinc/62/40/89/513624089.db2.gz XQRRWRLWLIHZGT-IINYFYTJSA-N -1 3 360.819 2.508 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000413448939 513660838 /nfs/dbraw/zinc/66/08/38/513660838.db2.gz ATOMABSYEAYCMI-GFCCVEGCSA-N -1 3 353.348 2.810 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000413448939 513660843 /nfs/dbraw/zinc/66/08/43/513660843.db2.gz ATOMABSYEAYCMI-GFCCVEGCSA-N -1 3 353.348 2.810 20 30 FFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000413448939 513660849 /nfs/dbraw/zinc/66/08/49/513660849.db2.gz ATOMABSYEAYCMI-GFCCVEGCSA-N -1 3 353.348 2.810 20 30 FFEDHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)CC#N)nc1C ZINC000451301419 513664428 /nfs/dbraw/zinc/66/44/28/513664428.db2.gz CCKRACNFAPCSMC-LLVKDONJSA-N -1 3 373.500 2.549 20 30 FFEDHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000442237400 513688499 /nfs/dbraw/zinc/68/84/99/513688499.db2.gz OCFYRBVRHPCWGQ-UHFFFAOYSA-N -1 3 363.826 2.714 20 30 FFEDHM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416384594 513743911 /nfs/dbraw/zinc/74/39/11/513743911.db2.gz IWMGLYXERUUSOV-MFKMUULPSA-N -1 3 373.272 2.557 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000416444662 513774895 /nfs/dbraw/zinc/77/48/95/513774895.db2.gz JAYMQEWVVSEYSQ-LBPRGKRZSA-N -1 3 373.272 2.557 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000419480151 513820973 /nfs/dbraw/zinc/82/09/73/513820973.db2.gz MUIUGSAPDVRMRZ-GFCCVEGCSA-N -1 3 364.331 2.572 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000419480151 513820981 /nfs/dbraw/zinc/82/09/81/513820981.db2.gz MUIUGSAPDVRMRZ-GFCCVEGCSA-N -1 3 364.331 2.572 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000419480151 513820990 /nfs/dbraw/zinc/82/09/90/513820990.db2.gz MUIUGSAPDVRMRZ-GFCCVEGCSA-N -1 3 364.331 2.572 20 30 FFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)CC#N)cc1Cl ZINC000416534138 513821367 /nfs/dbraw/zinc/82/13/67/513821367.db2.gz WDUUCXAIBJLDEQ-UHFFFAOYSA-N -1 3 361.826 2.656 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416587457 513850708 /nfs/dbraw/zinc/85/07/08/513850708.db2.gz HPLLBDOIGNIJES-VXGBXAGGSA-N -1 3 361.236 2.880 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccsc1 ZINC000443085794 513866783 /nfs/dbraw/zinc/86/67/83/513866783.db2.gz CZHOKWQQLSMPNV-CQSZACIVSA-N -1 3 369.899 2.854 20 30 FFEDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000443148620 513887683 /nfs/dbraw/zinc/88/76/83/513887683.db2.gz UVNFSIHTTAOCES-STQMWFEESA-N -1 3 362.373 2.813 20 30 FFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416662299 513895706 /nfs/dbraw/zinc/89/57/06/513895706.db2.gz ODXYBJJIQMNVIG-ZDUSSCGKSA-N -1 3 363.420 2.884 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443330509 513937786 /nfs/dbraw/zinc/93/77/86/513937786.db2.gz NQDNYFUPVWVBBR-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCC1 ZINC000443349883 513945316 /nfs/dbraw/zinc/94/53/16/513945316.db2.gz WBFOYXBIPVMGSA-MRXNPFEDSA-N -1 3 354.447 2.961 20 30 FFEDHM N#Cc1ccc(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])cc1 ZINC000426731095 514026648 /nfs/dbraw/zinc/02/66/48/514026648.db2.gz NPRARPRNFODILQ-SFHVURJKSA-N -1 3 356.447 2.913 20 30 FFEDHM C[C@@H](C#N)CN(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444019566 514102872 /nfs/dbraw/zinc/10/28/72/514102872.db2.gz CBXFWEFWZMAZHN-VIFPVBQESA-N -1 3 353.300 2.658 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1(O)CCCC1 ZINC000452041591 514156682 /nfs/dbraw/zinc/15/66/82/514156682.db2.gz JTVJJTCKRJVGDU-UHFFFAOYSA-N -1 3 356.875 2.821 20 30 FFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000452046394 514159264 /nfs/dbraw/zinc/15/92/64/514159264.db2.gz WBUCUFHQKBIAKN-UHFFFAOYSA-N -1 3 358.529 2.697 20 30 FFEDHM N#Cc1nn(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c2ccccc12 ZINC000427241876 514159456 /nfs/dbraw/zinc/15/94/56/514159456.db2.gz FYNIFXAFANLGFR-UHFFFAOYSA-N -1 3 367.372 2.791 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)C2(CO)CCC2)s1 ZINC000452096801 514188338 /nfs/dbraw/zinc/18/83/38/514188338.db2.gz XRJZEYBDHIFDAX-AWEZNQCLSA-N -1 3 368.505 2.863 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCC2(O)CCC2)c(C(F)(F)F)c1 ZINC000420713567 514256036 /nfs/dbraw/zinc/25/60/36/514256036.db2.gz AKYPBRJTPXHTCF-UHFFFAOYSA-N -1 3 362.373 2.551 20 30 FFEDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000420727577 514262955 /nfs/dbraw/zinc/26/29/55/514262955.db2.gz OSWVCWQZSFRYGZ-STQMWFEESA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1cccc(O)c1 ZINC000427641030 514273528 /nfs/dbraw/zinc/27/35/28/514273528.db2.gz ZZKSCWUDEWDGPT-GFCCVEGCSA-N -1 3 353.422 2.661 20 30 FFEDHM C[C@H]1C[C@]1(C#N)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000449930544 514429016 /nfs/dbraw/zinc/42/90/16/514429016.db2.gz MGMKVXINMHFRIH-BBATYDOGSA-N -1 3 361.829 2.772 20 30 FFEDHM CCCc1c([N-]S(=O)(=O)N(C)CCC)cnn1-c1cccc(C#N)c1 ZINC000438844080 514451240 /nfs/dbraw/zinc/45/12/40/514451240.db2.gz XIFLEHCOOHJMJJ-UHFFFAOYSA-N -1 3 361.471 2.695 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1COc2ccc(F)cc21 ZINC000466233600 514585096 /nfs/dbraw/zinc/58/50/96/514585096.db2.gz HQYBCIZLOSCJOV-INIZCTEOSA-N -1 3 355.369 2.597 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccccc2F)c1 ZINC000475540494 514707690 /nfs/dbraw/zinc/70/76/90/514707690.db2.gz IHDDCOYHPBOPDO-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM COC(=O)c1sc2[n-]c(CSc3ccc(C#N)cn3)nc(=O)c2c1C ZINC000498144296 514777973 /nfs/dbraw/zinc/77/79/73/514777973.db2.gz IIRYJRKVRXWFRC-UHFFFAOYSA-N -1 3 372.431 2.639 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Cc1ccc(Br)cc1 ZINC000476002346 514878809 /nfs/dbraw/zinc/87/88/09/514878809.db2.gz ZLWRZVLVTREMRM-UHFFFAOYSA-N -1 3 368.256 2.836 20 30 FFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000480426288 514955392 /nfs/dbraw/zinc/95/53/92/514955392.db2.gz MTWZTNQCNKBDNO-UHFFFAOYSA-N -1 3 354.300 2.901 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)s1 ZINC000462298287 514981048 /nfs/dbraw/zinc/98/10/48/514981048.db2.gz QHTDKBDYWKRCIJ-LLVKDONJSA-N -1 3 356.375 2.700 20 30 FFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1(CO)CCC1 ZINC000490072878 515091032 /nfs/dbraw/zinc/09/10/32/515091032.db2.gz OIUOLUHVVNIKJY-HNNXBMFYSA-N -1 3 356.875 2.677 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000463505605 515529973 /nfs/dbraw/zinc/52/99/73/515529973.db2.gz FHGWJHWTXTXOSC-UHFFFAOYSA-N -1 3 366.782 2.750 20 30 FFEDHM CC[C@H](C#N)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469617920 515894112 /nfs/dbraw/zinc/89/41/12/515894112.db2.gz BMKCFUYYRFWLBG-MRVPVSSYSA-N -1 3 368.618 2.976 20 30 FFEDHM CC[C@H](C#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000469617920 515894119 /nfs/dbraw/zinc/89/41/19/515894119.db2.gz BMKCFUYYRFWLBG-MRVPVSSYSA-N -1 3 368.618 2.976 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)c1 ZINC000501013709 515938007 /nfs/dbraw/zinc/93/80/07/515938007.db2.gz GEOMJDZMPDUXRW-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000494818964 515972747 /nfs/dbraw/zinc/97/27/47/515972747.db2.gz MWLGEGONIFZLBP-UHFFFAOYSA-N -1 3 365.433 2.678 20 30 FFEDHM C=C[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000465146101 516076587 /nfs/dbraw/zinc/07/65/87/516076587.db2.gz NEEFMJHVDNDZQG-GFCCVEGCSA-N -1 3 358.442 2.581 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c1C#N ZINC000474947883 516245773 /nfs/dbraw/zinc/24/57/73/516245773.db2.gz AIRFMJPANCBGPS-UHFFFAOYSA-N -1 3 356.436 2.688 20 30 FFEDHM C[C@H](NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccc(C#N)cc1F ZINC000512626710 516315630 /nfs/dbraw/zinc/31/56/30/516315630.db2.gz VWIDKEFWIPQMIG-FKIZINRSSA-N -1 3 366.396 2.603 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c(F)c1 ZINC000523570825 516508188 /nfs/dbraw/zinc/50/81/88/516508188.db2.gz CPKAFNWHBDXQDE-FUHWJXTLSA-N -1 3 360.410 2.896 20 30 FFEDHM C=CCOc1cccc([N-]S(=O)(=O)Cc2ccccc2C(=O)OC)c1 ZINC000561303640 516511003 /nfs/dbraw/zinc/51/10/03/516511003.db2.gz OERLAHCTERYHAB-UHFFFAOYSA-N -1 3 361.419 2.980 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1noc(-c2ccccc2)n1 ZINC000558075581 516581841 /nfs/dbraw/zinc/58/18/41/516581841.db2.gz IYGUDYSLEYOKLR-CYBMUJFWSA-N -1 3 368.418 2.789 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000536120965 516638920 /nfs/dbraw/zinc/63/89/20/516638920.db2.gz GQQJWCRFROLVPU-PIGZYNQJSA-N -1 3 366.389 2.891 20 30 FFEDHM COC[C@@](C)(NCc1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000551420707 516703103 /nfs/dbraw/zinc/70/31/03/516703103.db2.gz MAFDHLQSWCEDLW-HXUWFJFHSA-N -1 3 354.406 2.717 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnnn1Cc1ccccc1 ZINC000513736715 516735613 /nfs/dbraw/zinc/73/56/13/516735613.db2.gz JSWZRKJADBHNFM-HNNXBMFYSA-N -1 3 356.389 2.703 20 30 FFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OCC)cc(F)c1OC ZINC000544706206 516887286 /nfs/dbraw/zinc/88/72/86/516887286.db2.gz KYUIXIQAHSQNSZ-LBPRGKRZSA-N -1 3 359.419 2.644 20 30 FFEDHM COCCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000544727975 516898277 /nfs/dbraw/zinc/89/82/77/516898277.db2.gz RSOAVQXWBFAFJC-UHFFFAOYSA-N -1 3 350.362 2.670 20 30 FFEDHM Cc1cc(-c2nc(C(=O)[N-]c3nn(C(C)(C)C)cc3C#N)co2)ccn1 ZINC000562694509 517309878 /nfs/dbraw/zinc/30/98/78/517309878.db2.gz CGKKZSVACSYLAL-UHFFFAOYSA-N -1 3 350.382 2.542 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000545929484 517441133 /nfs/dbraw/zinc/44/11/33/517441133.db2.gz SPISPTWQWSSXOC-UHFFFAOYSA-N -1 3 369.761 2.737 20 30 FFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000546057782 517518569 /nfs/dbraw/zinc/51/85/69/517518569.db2.gz ASSRMKHQUMQFHT-VIFPVBQESA-N -1 3 363.233 2.990 20 30 FFEDHM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1C#N ZINC000559989658 517520280 /nfs/dbraw/zinc/52/02/80/517520280.db2.gz AXDPBDWNLHFOSS-HZPDHXFCSA-N -1 3 368.462 2.556 20 30 FFEDHM C[C@@H](CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000546165553 517576132 /nfs/dbraw/zinc/57/61/32/517576132.db2.gz IZXYOZPJVTUFDL-ZDUSSCGKSA-N -1 3 359.407 2.939 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)s1 ZINC000516260551 517639606 /nfs/dbraw/zinc/63/96/06/517639606.db2.gz HXVHMSUVKAMTJU-ZYHUDNBSSA-N -1 3 354.478 2.880 20 30 FFEDHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)ccc1C#N ZINC000549912329 517775313 /nfs/dbraw/zinc/77/53/13/517775313.db2.gz KMCZJDRKPQJGEN-LLVKDONJSA-N -1 3 361.370 2.905 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nccn1-c1ccccc1 ZINC000553551202 517775204 /nfs/dbraw/zinc/77/52/04/517775204.db2.gz LNXSLIRWDXJEGA-CYBMUJFWSA-N -1 3 370.409 2.923 20 30 FFEDHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccco1 ZINC000560473350 517829146 /nfs/dbraw/zinc/82/91/46/517829146.db2.gz GLOZEHKYDZAGKU-SWLSCSKDSA-N -1 3 365.430 2.698 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)c(F)c1 ZINC000546781287 517853740 /nfs/dbraw/zinc/85/37/40/517853740.db2.gz QGZWFALVBXSUOZ-OAHLLOKOSA-N -1 3 358.410 2.656 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000543397089 518069652 /nfs/dbraw/zinc/06/96/52/518069652.db2.gz XNMUKRWEAWLDSY-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000576247255 518501958 /nfs/dbraw/zinc/50/19/58/518501958.db2.gz OLPKIFIIUWXPLY-UHFFFAOYSA-N -1 3 352.774 2.512 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc2c(s1)CCC2 ZINC000582170516 518622185 /nfs/dbraw/zinc/62/21/85/518622185.db2.gz QWKYBNRSIUMGAN-SECBINFHSA-N -1 3 351.428 2.682 20 30 FFEDHM CC[C@@]1(C[N-]S(=O)(=O)CC2(C#N)CCCC2)OCCc2ccccc21 ZINC000582454768 518759027 /nfs/dbraw/zinc/75/90/27/518759027.db2.gz PGFODZANALASPZ-IBGZPJMESA-N -1 3 362.495 2.868 20 30 FFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CC1 ZINC000568127902 518887517 /nfs/dbraw/zinc/88/75/17/518887517.db2.gz YRDDYAWVFHUYHI-UHFFFAOYSA-N -1 3 357.391 2.743 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(Br)s1 ZINC000589288090 518972908 /nfs/dbraw/zinc/97/29/08/518972908.db2.gz QPSOUFUECGRCQO-QMMMGPOBSA-N -1 3 372.269 2.817 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc3C2)CCCCC1 ZINC000582927664 518990866 /nfs/dbraw/zinc/99/08/66/518990866.db2.gz RFFPEUBGPSEPQS-HNNXBMFYSA-N -1 3 352.431 2.523 20 30 FFEDHM N#Cc1ccnc(N2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)CC2)c1 ZINC000577566820 519142043 /nfs/dbraw/zinc/14/20/43/519142043.db2.gz BQCNPBJCJUBCLI-UHFFFAOYSA-N -1 3 362.355 3.000 20 30 FFEDHM COc1ccc(-c2nc([N-]C(=O)c3cscc3C#N)n[nH]2)cc1OC ZINC000590257310 519182258 /nfs/dbraw/zinc/18/22/58/519182258.db2.gz DELJJHGVJAFEFA-UHFFFAOYSA-N -1 3 355.379 2.674 20 30 FFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]CC(=O)Nc1cccc2ccccc21 ZINC000568815438 519225283 /nfs/dbraw/zinc/22/52/83/519225283.db2.gz WRUSPHUJTAQTBS-UHFFFAOYSA-N -1 3 359.451 2.638 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CC(C#N)C1 ZINC000590481346 519244679 /nfs/dbraw/zinc/24/46/79/519244679.db2.gz LGDNKJCUNRSONO-UHFFFAOYSA-N -1 3 373.409 2.531 20 30 FFEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1C ZINC000578391526 519568485 /nfs/dbraw/zinc/56/84/85/519568485.db2.gz NMZGYZDVZXIAMO-UHFFFAOYSA-N -1 3 364.398 2.832 20 30 FFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)(C)C ZINC000594482877 519991241 /nfs/dbraw/zinc/99/12/41/519991241.db2.gz AZYDWWRCQXHCGW-LLVKDONJSA-N -1 3 358.485 2.512 20 30 FFEDHM Cn1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c2ccccc21 ZINC000612687553 520091281 /nfs/dbraw/zinc/09/12/81/520091281.db2.gz PVOBAJOBCYMSQE-UHFFFAOYSA-N -1 3 360.826 2.577 20 30 FFEDHM Cc1cccc2c1C[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CO2 ZINC000600211736 520130231 /nfs/dbraw/zinc/13/02/31/520130231.db2.gz SPKCVRCORLFCQY-OAHLLOKOSA-N -1 3 365.433 2.637 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCOCC1 ZINC000594846405 520186272 /nfs/dbraw/zinc/18/62/72/520186272.db2.gz RTDSPZOEAPFIKP-UHFFFAOYSA-N -1 3 354.428 2.615 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2cccc(Cl)c2C(=O)OC)CCOCC1 ZINC000594847233 520186331 /nfs/dbraw/zinc/18/63/31/520186331.db2.gz XMTDLZAIKOYRCW-UHFFFAOYSA-N -1 3 373.858 2.530 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592107187 520189019 /nfs/dbraw/zinc/18/90/19/520189019.db2.gz BZPJFOLGASMURJ-XHVZSJERSA-N -1 3 355.257 2.788 20 30 FFEDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)O1 ZINC000594853066 520189118 /nfs/dbraw/zinc/18/91/18/520189118.db2.gz WLBHOWWZYILGJA-JQWIXIFHSA-N -1 3 362.373 2.813 20 30 FFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)s1 ZINC000594869967 520200562 /nfs/dbraw/zinc/20/05/62/520200562.db2.gz WJMYKJWJLCNEHE-LBPRGKRZSA-N -1 3 369.512 2.698 20 30 FFEDHM N#CCC1(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000595369853 520434151 /nfs/dbraw/zinc/43/41/51/520434151.db2.gz IPNCXPZSHYGIHS-GFCCVEGCSA-N -1 3 363.266 2.640 20 30 FFEDHM C[C@@H](C#N)N(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C1CC1 ZINC000598130847 520444425 /nfs/dbraw/zinc/44/44/25/520444425.db2.gz HZVTZZBSBNZBHP-VIFPVBQESA-N -1 3 365.311 2.943 20 30 FFEDHM CC(C)(C)OC(=O)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)C1CCC1 ZINC000595415459 520456710 /nfs/dbraw/zinc/45/67/10/520456710.db2.gz BDMVSAWGAFYTHV-LBPRGKRZSA-N -1 3 370.496 2.656 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598622748 520748845 /nfs/dbraw/zinc/74/88/45/520748845.db2.gz QQBAASYZAKQZAU-MRVPVSSYSA-N -1 3 365.199 2.644 20 30 FFEDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2OC)n1 ZINC000601442761 520786597 /nfs/dbraw/zinc/78/65/97/520786597.db2.gz JNPCJQSSBQPBNW-SNVBAGLBSA-N -1 3 351.453 2.625 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cn(CC2CC2)c(CC)n1 ZINC000596044256 520875650 /nfs/dbraw/zinc/87/56/50/520875650.db2.gz QXRZGINKBNUKPC-UHFFFAOYSA-N -1 3 352.504 2.996 20 30 FFEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)n1 ZINC000598856857 520880398 /nfs/dbraw/zinc/88/03/98/520880398.db2.gz FYDUBCQPJUEBIO-UHFFFAOYSA-N -1 3 353.382 2.568 20 30 FFEDHM CCN1CCN(Cc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2)CC1 ZINC000614295303 520894949 /nfs/dbraw/zinc/89/49/49/520894949.db2.gz LHWZPPKYWIJCRH-UHFFFAOYSA-N -1 3 364.449 2.654 20 30 FFEDHM Cc1nc([N-]C(=O)c2cc(F)c(F)cc2F)n(-c2ccc(C#N)cc2)n1 ZINC000610961302 520920638 /nfs/dbraw/zinc/92/06/38/520920638.db2.gz WRSHQOVWHSMBDP-UHFFFAOYSA-N -1 3 357.295 2.539 20 30 FFEDHM N#Cc1ccc(OC2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)nc1 ZINC000596177756 520953459 /nfs/dbraw/zinc/95/34/59/520953459.db2.gz FZDPIYOASJYTHM-UHFFFAOYSA-N -1 3 355.354 2.764 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)COCc1ccccc1 ZINC000593535459 521057192 /nfs/dbraw/zinc/05/71/92/521057192.db2.gz KYKCBFAYTQATOA-ZDUSSCGKSA-N -1 3 350.465 2.751 20 30 FFEDHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593535505 521059169 /nfs/dbraw/zinc/05/91/69/521059169.db2.gz LJARRXQCXOAFIW-ZFWWWQNUSA-N -1 3 361.492 2.734 20 30 FFEDHM COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593544330 521064513 /nfs/dbraw/zinc/06/45/13/521064513.db2.gz REOZJDCPEVUBKA-CYBMUJFWSA-N -1 3 364.448 2.593 20 30 FFEDHM COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593544331 521065854 /nfs/dbraw/zinc/06/58/54/521065854.db2.gz REOZJDCPEVUBKA-ZDUSSCGKSA-N -1 3 364.448 2.593 20 30 FFEDHM COC[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccc(Cl)cc1 ZINC000593600225 521100844 /nfs/dbraw/zinc/10/08/44/521100844.db2.gz CJGKJGXPCJHPOL-GFCCVEGCSA-N -1 3 370.883 2.982 20 30 FFEDHM Cc1nc([N-]C(=O)c2cc(S(C)(=O)=O)c(C)o2)sc1SCC#N ZINC000599247002 521105853 /nfs/dbraw/zinc/10/58/53/521105853.db2.gz ARDPQKZTSYUONQ-UHFFFAOYSA-N -1 3 371.465 2.624 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000593620046 521110621 /nfs/dbraw/zinc/11/06/21/521110621.db2.gz KJSBMRNIGMPQAQ-UHFFFAOYSA-N -1 3 361.236 2.950 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)COc2ccccc2O1 ZINC000599365678 521177151 /nfs/dbraw/zinc/17/71/51/521177151.db2.gz GFJWJLXOBSKLDX-QGZVFWFLSA-N -1 3 364.467 2.610 20 30 FFEDHM C=CCCCCCN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000606883055 521193244 /nfs/dbraw/zinc/19/32/44/521193244.db2.gz CYPISXUZFCMQAZ-UHFFFAOYSA-N -1 3 364.920 2.885 20 30 FFEDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c(OC)c1 ZINC000599427601 521215648 /nfs/dbraw/zinc/21/56/48/521215648.db2.gz DJYWCRYACQYMMJ-JTQLQIEISA-N -1 3 352.437 2.676 20 30 FFEDHM Cc1cc2c(cc1C#N)[nH]nc2NC([O-])=C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593849883 521249577 /nfs/dbraw/zinc/24/95/77/521249577.db2.gz RBXVYESOBFQQCL-WCQYABFASA-N -1 3 366.343 2.851 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C(C#N)(CC)CC)c2)[n-]1 ZINC000599848568 521511363 /nfs/dbraw/zinc/51/13/63/521511363.db2.gz GDCFLEVLPMTHMX-UHFFFAOYSA-N -1 3 369.425 2.595 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C(C#N)(CC)CC)c2)n[n-]1 ZINC000599848568 521511368 /nfs/dbraw/zinc/51/13/68/521511368.db2.gz GDCFLEVLPMTHMX-UHFFFAOYSA-N -1 3 369.425 2.595 20 30 FFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000615744573 521518825 /nfs/dbraw/zinc/51/88/25/521518825.db2.gz XYLKIAOYFWXWOE-LLVKDONJSA-N -1 3 360.863 2.582 20 30 FFEDHM CCN=c1[n-]c(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cs1 ZINC000597185629 521564550 /nfs/dbraw/zinc/56/45/50/521564550.db2.gz ZNJKDKBRJVNQGL-NSHDSACASA-N -1 3 370.356 2.890 20 30 FFEDHM CC(C)([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)F ZINC000619503074 521600743 /nfs/dbraw/zinc/60/07/43/521600743.db2.gz ICHPRKUCGAZAJS-UHFFFAOYSA-N -1 3 353.188 2.643 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629162159 521999968 /nfs/dbraw/zinc/99/99/68/521999968.db2.gz SDSSDAVFXBPZBY-LBPRGKRZSA-N -1 3 368.821 2.860 20 30 FFEDHM C=C1CC(C)(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000630551375 522926581 /nfs/dbraw/zinc/92/65/81/522926581.db2.gz TVMKUGMNOQPBBU-UHFFFAOYSA-N -1 3 362.373 2.822 20 30 FFEDHM COCCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000633900185 523053956 /nfs/dbraw/zinc/05/39/56/523053956.db2.gz MLWUQHXYEBCVBB-GFCCVEGCSA-N -1 3 359.336 2.764 20 30 FFEDHM Cn1c(-c2ccc(C#N)cc2)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000601854236 553481516 /nfs/dbraw/zinc/48/15/16/553481516.db2.gz NHCSAGWSBWHLRP-UHFFFAOYSA-N -1 3 362.441 2.561 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C[C@@H](C)CCC ZINC000735425767 598834077 /nfs/dbraw/zinc/83/40/77/598834077.db2.gz FZVXGFYPWXUTHW-AWEZNQCLSA-N -1 3 363.487 2.621 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C[C@@H](C)CCC ZINC000735425767 598834078 /nfs/dbraw/zinc/83/40/78/598834078.db2.gz FZVXGFYPWXUTHW-AWEZNQCLSA-N -1 3 363.487 2.621 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC000737704932 598917141 /nfs/dbraw/zinc/91/71/41/598917141.db2.gz LOHMSSJUUAQSOM-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC000737704932 598917142 /nfs/dbraw/zinc/91/71/42/598917142.db2.gz LOHMSSJUUAQSOM-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM CCCc1nc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000736494436 598919882 /nfs/dbraw/zinc/91/98/82/598919882.db2.gz BLAKASHNCOPFQY-UHFFFAOYSA-N -1 3 353.411 2.708 20 30 FFEDHM CCCc1nc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000736494436 598919883 /nfs/dbraw/zinc/91/98/83/598919883.db2.gz BLAKASHNCOPFQY-UHFFFAOYSA-N -1 3 353.411 2.708 20 30 FFEDHM CC(C)Cc1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cs1 ZINC000735851081 598924513 /nfs/dbraw/zinc/92/45/13/598924513.db2.gz LJDFPBHDYVADBG-UHFFFAOYSA-N -1 3 353.411 2.646 20 30 FFEDHM CC(C)Cc1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cs1 ZINC000735851081 598924515 /nfs/dbraw/zinc/92/45/15/598924515.db2.gz LJDFPBHDYVADBG-UHFFFAOYSA-N -1 3 353.411 2.646 20 30 FFEDHM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000821786567 607253228 /nfs/dbraw/zinc/25/32/28/607253228.db2.gz FNJILUAIYMXHAA-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000821786567 607253229 /nfs/dbraw/zinc/25/32/29/607253229.db2.gz FNJILUAIYMXHAA-UHFFFAOYSA-N -1 3 374.351 2.600 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCON=Cc1ccc(Cl)cc1 ZINC000737033583 598978106 /nfs/dbraw/zinc/97/81/06/598978106.db2.gz XYQBCEIZMWAKMG-UHFFFAOYSA-N -1 3 373.800 2.958 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCON=Cc1ccc(Cl)cc1 ZINC000737033583 598978108 /nfs/dbraw/zinc/97/81/08/598978108.db2.gz XYQBCEIZMWAKMG-UHFFFAOYSA-N -1 3 373.800 2.958 20 30 FFEDHM COCc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000821696115 599110809 /nfs/dbraw/zinc/11/08/09/599110809.db2.gz XDJVMEGOXBNGAS-CMDGGOBGSA-N -1 3 363.421 2.965 20 30 FFEDHM COCc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000821696115 599110812 /nfs/dbraw/zinc/11/08/12/599110812.db2.gz XDJVMEGOXBNGAS-CMDGGOBGSA-N -1 3 363.421 2.965 20 30 FFEDHM COc1ccc(C=NNC(=S)Nc2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000737081257 599125578 /nfs/dbraw/zinc/12/55/78/599125578.db2.gz MHOFYDHSGYPDCP-UHFFFAOYSA-N -1 3 367.438 2.504 20 30 FFEDHM COc1ccc(C=NNC(=S)Nc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000737081257 599125580 /nfs/dbraw/zinc/12/55/80/599125580.db2.gz MHOFYDHSGYPDCP-UHFFFAOYSA-N -1 3 367.438 2.504 20 30 FFEDHM C=CC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccncc1 ZINC000735409855 599147343 /nfs/dbraw/zinc/14/73/43/599147343.db2.gz MUGGBMLWFDIASQ-INIZCTEOSA-N -1 3 367.388 2.517 20 30 FFEDHM C=CC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccncc1 ZINC000735409855 599147345 /nfs/dbraw/zinc/14/73/45/599147345.db2.gz MUGGBMLWFDIASQ-INIZCTEOSA-N -1 3 367.388 2.517 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737715883 599195599 /nfs/dbraw/zinc/19/55/99/599195599.db2.gz GTWPBYZJFSENNF-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737715883 599195601 /nfs/dbraw/zinc/19/56/01/599195601.db2.gz GTWPBYZJFSENNF-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@@H]2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737706736 599195992 /nfs/dbraw/zinc/19/59/92/599195992.db2.gz YMTPTSDHANYNKX-LBPRGKRZSA-N -1 3 360.377 2.633 20 30 FFEDHM N#Cc1cc(NC(=O)C[C@@H]2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737706736 599195994 /nfs/dbraw/zinc/19/59/94/599195994.db2.gz YMTPTSDHANYNKX-LBPRGKRZSA-N -1 3 360.377 2.633 20 30 FFEDHM C=CCOc1ccc(OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819758995 599203285 /nfs/dbraw/zinc/20/32/85/599203285.db2.gz KISJZQNUCWXOTF-CYBMUJFWSA-N -1 3 366.377 2.804 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735410153 599203595 /nfs/dbraw/zinc/20/35/95/599203595.db2.gz VNHRIJGKTAPSIP-LBPRGKRZSA-N -1 3 353.382 2.733 20 30 FFEDHM C=CC[C@H](C)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735410153 599203596 /nfs/dbraw/zinc/20/35/96/599203596.db2.gz VNHRIJGKTAPSIP-LBPRGKRZSA-N -1 3 353.382 2.733 20 30 FFEDHM C=CCc1cc([N+](=O)[O-])ccc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735442992 598286949 /nfs/dbraw/zinc/28/69/49/598286949.db2.gz LUTDBEGUUKZSSP-UHFFFAOYSA-N -1 3 367.365 2.961 20 30 FFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735390903 598438642 /nfs/dbraw/zinc/43/86/42/598438642.db2.gz HUCBHLHKJPRPSS-UHFFFAOYSA-N -1 3 361.434 2.559 20 30 FFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735390903 598438643 /nfs/dbraw/zinc/43/86/43/598438643.db2.gz HUCBHLHKJPRPSS-UHFFFAOYSA-N -1 3 361.434 2.559 20 30 FFEDHM N#Cc1cn(CCCOc2ccc(-c3nn[n-]n3)cc2)c2ccccc2c1=O ZINC000737727882 598504164 /nfs/dbraw/zinc/50/41/64/598504164.db2.gz DDJQOIURZIWPLQ-UHFFFAOYSA-N -1 3 372.388 2.522 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737722359 598547008 /nfs/dbraw/zinc/54/70/08/598547008.db2.gz SYFHYRZNMMZYSN-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737722359 598547010 /nfs/dbraw/zinc/54/70/10/598547010.db2.gz SYFHYRZNMMZYSN-UHFFFAOYSA-N -1 3 356.292 2.592 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736115279 598632025 /nfs/dbraw/zinc/63/20/25/598632025.db2.gz GWQMBJQVUWLRDV-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736115279 598632027 /nfs/dbraw/zinc/63/20/27/598632027.db2.gz GWQMBJQVUWLRDV-SNVBAGLBSA-N -1 3 351.345 2.760 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735436314 598667430 /nfs/dbraw/zinc/66/74/30/598667430.db2.gz IWXCAGMYYPHDLG-UHFFFAOYSA-N -1 3 363.421 2.681 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735436314 598667432 /nfs/dbraw/zinc/66/74/32/598667432.db2.gz IWXCAGMYYPHDLG-UHFFFAOYSA-N -1 3 363.421 2.681 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735504418 598691178 /nfs/dbraw/zinc/69/11/78/598691178.db2.gz NGGRTKGLPWIQHX-QGZVFWFLSA-N -1 3 352.423 2.573 20 30 FFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735504418 598691179 /nfs/dbraw/zinc/69/11/79/598691179.db2.gz NGGRTKGLPWIQHX-QGZVFWFLSA-N -1 3 352.423 2.573 20 30 FFEDHM CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503504 599309529 /nfs/dbraw/zinc/30/95/29/599309529.db2.gz XLBGKUOABIMRTJ-CYBMUJFWSA-N -1 3 362.393 2.559 20 30 FFEDHM CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503504 599309532 /nfs/dbraw/zinc/30/95/32/599309532.db2.gz XLBGKUOABIMRTJ-CYBMUJFWSA-N -1 3 362.393 2.559 20 30 FFEDHM C=C(Cl)CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735402377 599389841 /nfs/dbraw/zinc/38/98/41/599389841.db2.gz SYLNSCDNBFHGBM-UHFFFAOYSA-N -1 3 369.812 2.928 20 30 FFEDHM C=C(Cl)CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735402377 599389843 /nfs/dbraw/zinc/38/98/43/599389843.db2.gz SYLNSCDNBFHGBM-UHFFFAOYSA-N -1 3 369.812 2.928 20 30 FFEDHM O=C(C=NOCc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1Cl ZINC000822934664 599390107 /nfs/dbraw/zinc/39/01/07/599390107.db2.gz BBXDDKPTJOTELM-UHFFFAOYSA-N -1 3 374.763 2.800 20 30 FFEDHM O=C(C=NOCc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1Cl ZINC000822934664 599390110 /nfs/dbraw/zinc/39/01/10/599390110.db2.gz BBXDDKPTJOTELM-UHFFFAOYSA-N -1 3 374.763 2.800 20 30 FFEDHM C=CCN(Cc1nc([C@H](C)OCC)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426288 599473933 /nfs/dbraw/zinc/47/39/33/599473933.db2.gz OPZGRYBARWFEIS-ZDUSSCGKSA-N -1 3 369.429 2.535 20 30 FFEDHM C=CCN(Cc1nc([C@H](C)OCC)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426288 599473935 /nfs/dbraw/zinc/47/39/35/599473935.db2.gz OPZGRYBARWFEIS-ZDUSSCGKSA-N -1 3 369.429 2.535 20 30 FFEDHM N#Cc1ccc(OC2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822832447 599526757 /nfs/dbraw/zinc/52/67/57/599526757.db2.gz AVHHVWDFQZFHGL-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM N#Cc1ccc(OC2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822832447 599526761 /nfs/dbraw/zinc/52/67/61/599526761.db2.gz AVHHVWDFQZFHGL-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000737675056 599569995 /nfs/dbraw/zinc/56/99/95/599569995.db2.gz MGWYWDMHCZUQBK-KRWDZBQOSA-N -1 3 359.393 2.642 20 30 FFEDHM C#Cc1cccc(N(CC)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000819709781 599636916 /nfs/dbraw/zinc/63/69/16/599636916.db2.gz OVQYMOKHOBTEGL-UHFFFAOYSA-N -1 3 371.404 2.925 20 30 FFEDHM C#Cc1cccc(N(CC)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000819709781 599636917 /nfs/dbraw/zinc/63/69/17/599636917.db2.gz OVQYMOKHOBTEGL-UHFFFAOYSA-N -1 3 371.404 2.925 20 30 FFEDHM C=CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000819734811 599674653 /nfs/dbraw/zinc/67/46/53/599674653.db2.gz ULAGLQXMSWBNHF-SUMWQHHRSA-N -1 3 363.425 2.939 20 30 FFEDHM C=CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000819734811 599674654 /nfs/dbraw/zinc/67/46/54/599674654.db2.gz ULAGLQXMSWBNHF-SUMWQHHRSA-N -1 3 363.425 2.939 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cn2ccccc2c1C#N ZINC000826252870 607390032 /nfs/dbraw/zinc/39/00/32/607390032.db2.gz WJRONBLIZJHJIF-UHFFFAOYSA-N -1 3 358.361 2.657 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cn2ccccc2c1C#N ZINC000826252870 607390034 /nfs/dbraw/zinc/39/00/34/607390034.db2.gz WJRONBLIZJHJIF-UHFFFAOYSA-N -1 3 358.361 2.657 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2cccc(CC#N)c2)cc1-c1nnn[n-]1 ZINC000820174200 607406901 /nfs/dbraw/zinc/40/69/01/607406901.db2.gz PAAAKMAUXYVKMA-UHFFFAOYSA-N -1 3 362.393 2.972 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2cccc(CC#N)c2)cc1-c1nn[n-]n1 ZINC000820174200 607406903 /nfs/dbraw/zinc/40/69/03/607406903.db2.gz PAAAKMAUXYVKMA-UHFFFAOYSA-N -1 3 362.393 2.972 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC#Cc2cccc(Cl)c2)nc1N ZINC000822819303 607463609 /nfs/dbraw/zinc/46/36/09/607463609.db2.gz OEMAUOACYNDADN-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC#Cc2cccc(Cl)c2)nc1N ZINC000822819303 607463611 /nfs/dbraw/zinc/46/36/11/607463611.db2.gz OEMAUOACYNDADN-UHFFFAOYSA-N -1 3 367.825 2.513 20 30 FFEDHM CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830714719 602051096 /nfs/dbraw/zinc/05/10/96/602051096.db2.gz WXXQQIXZWBXKRM-WBVHZDCISA-N -1 3 364.323 2.767 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826180484 607645937 /nfs/dbraw/zinc/64/59/37/607645937.db2.gz JOYHGCGLXDRLIY-RMKNXTFCSA-N -1 3 363.377 2.730 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826180484 607645939 /nfs/dbraw/zinc/64/59/39/607645939.db2.gz JOYHGCGLXDRLIY-RMKNXTFCSA-N -1 3 363.377 2.730 20 30 FFEDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCC#Cc1ccc(Cl)cc1 ZINC000823108787 606192175 /nfs/dbraw/zinc/19/21/75/606192175.db2.gz SWOGIINWIKXFQU-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCC#Cc1ccc(Cl)cc1 ZINC000823108787 606192176 /nfs/dbraw/zinc/19/21/76/606192176.db2.gz SWOGIINWIKXFQU-UHFFFAOYSA-N -1 3 352.781 2.658 20 30 FFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000822922275 606303095 /nfs/dbraw/zinc/30/30/95/606303095.db2.gz FCLPRZHGVVSUBG-WAYWQWQTSA-N -1 3 367.434 2.661 20 30 FFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCOCC2)cc1 ZINC000822922275 606303097 /nfs/dbraw/zinc/30/30/97/606303097.db2.gz FCLPRZHGVVSUBG-WAYWQWQTSA-N -1 3 367.434 2.661 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821693896 606305434 /nfs/dbraw/zinc/30/54/34/606305434.db2.gz SJDDXVHDMGZKTH-WAYWQWQTSA-N -1 3 374.397 2.989 20 30 FFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821693896 606305436 /nfs/dbraw/zinc/30/54/36/606305436.db2.gz SJDDXVHDMGZKTH-WAYWQWQTSA-N -1 3 374.397 2.989 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820549208 606352755 /nfs/dbraw/zinc/35/27/55/606352755.db2.gz LAUSHFHCQKMVQQ-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820549208 606352757 /nfs/dbraw/zinc/35/27/57/606352757.db2.gz LAUSHFHCQKMVQQ-QWHCGFSZSA-N -1 3 363.377 2.810 20 30 FFEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnc2ccccc12 ZINC000822021382 606372359 /nfs/dbraw/zinc/37/23/59/606372359.db2.gz ZGVDBFVFAGSJEY-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnc2ccccc12 ZINC000822021382 606372361 /nfs/dbraw/zinc/37/23/61/606372361.db2.gz ZGVDBFVFAGSJEY-UHFFFAOYSA-N -1 3 355.361 2.847 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)s1 ZINC000820121701 606504471 /nfs/dbraw/zinc/50/44/71/606504471.db2.gz VJHYSYRWJQTABP-UHFFFAOYSA-N -1 3 352.423 2.851 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)s1 ZINC000820121701 606504473 /nfs/dbraw/zinc/50/44/73/606504473.db2.gz VJHYSYRWJQTABP-UHFFFAOYSA-N -1 3 352.423 2.851 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000820841989 606613885 /nfs/dbraw/zinc/61/38/85/606613885.db2.gz HXYXVFBWHAYCSC-MRXNPFEDSA-N -1 3 363.377 2.905 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000820841989 606613887 /nfs/dbraw/zinc/61/38/87/606613887.db2.gz HXYXVFBWHAYCSC-MRXNPFEDSA-N -1 3 363.377 2.905 20 30 FFEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000819729685 606832160 /nfs/dbraw/zinc/83/21/60/606832160.db2.gz KQSVREXKWDHBDE-LLVKDONJSA-N -1 3 351.370 2.750 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(OC(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000822823462 606957773 /nfs/dbraw/zinc/95/77/73/606957773.db2.gz RGRIVPJFVLZUBZ-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1cc(NC(=O)c2cccc(OC(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000822823462 606957775 /nfs/dbraw/zinc/95/77/75/606957775.db2.gz RGRIVPJFVLZUBZ-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(F)c1 ZINC000822832927 607137168 /nfs/dbraw/zinc/13/71/68/607137168.db2.gz ITXJMAFYNNRMEB-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(F)c1 ZINC000822832927 607137170 /nfs/dbraw/zinc/13/71/70/607137170.db2.gz ITXJMAFYNNRMEB-UHFFFAOYSA-N -1 3 363.312 2.506 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000822829916 607171533 /nfs/dbraw/zinc/17/15/33/607171533.db2.gz OWLNBBRDDDXSSK-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM N#Cc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000822829916 607171534 /nfs/dbraw/zinc/17/15/34/607171534.db2.gz OWLNBBRDDDXSSK-UHFFFAOYSA-N -1 3 372.747 2.548 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](OCC)C(=C)C ZINC000823909452 607888067 /nfs/dbraw/zinc/88/80/67/607888067.db2.gz DYXYXQUABCNSIZ-KRWDZBQOSA-N -1 3 355.442 2.753 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](OCC)C(=C)C ZINC000823909452 607888068 /nfs/dbraw/zinc/88/80/68/607888068.db2.gz DYXYXQUABCNSIZ-KRWDZBQOSA-N -1 3 355.442 2.753 20 30 FFEDHM Cc1nn(C(C)(C)C)c(C)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826333167 607890354 /nfs/dbraw/zinc/89/03/54/607890354.db2.gz WYLKVNZXGZQPOY-UHFFFAOYSA-N -1 3 352.446 2.559 20 30 FFEDHM Cc1nn(C(C)(C)C)c(C)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826333167 607890355 /nfs/dbraw/zinc/89/03/55/607890355.db2.gz WYLKVNZXGZQPOY-UHFFFAOYSA-N -1 3 352.446 2.559 20 30 FFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000825318509 607970182 /nfs/dbraw/zinc/97/01/82/607970182.db2.gz OHCNBNTUEKHIML-UHFFFAOYSA-N -1 3 360.421 2.985 20 30 FFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000825318509 607970183 /nfs/dbraw/zinc/97/01/83/607970183.db2.gz OHCNBNTUEKHIML-UHFFFAOYSA-N -1 3 360.421 2.985 20 30 FFEDHM C#CCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823851051 608048501 /nfs/dbraw/zinc/04/85/01/608048501.db2.gz YCZDLYZTWYMJHN-UHFFFAOYSA-N -1 3 353.769 2.675 20 30 FFEDHM C#CCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823851051 608048502 /nfs/dbraw/zinc/04/85/02/608048502.db2.gz YCZDLYZTWYMJHN-UHFFFAOYSA-N -1 3 353.769 2.675 20 30 FFEDHM N#Cc1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1Cl ZINC000826385389 608052405 /nfs/dbraw/zinc/05/24/05/608052405.db2.gz JVHZTMFPGWEVOC-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1Cl ZINC000826385389 608052406 /nfs/dbraw/zinc/05/24/06/608052406.db2.gz JVHZTMFPGWEVOC-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823931753 608472735 /nfs/dbraw/zinc/47/27/35/608472735.db2.gz FEBCQOPCMIBYTL-LBPRGKRZSA-N -1 3 351.366 2.745 20 30 FFEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823931753 608472737 /nfs/dbraw/zinc/47/27/37/608472737.db2.gz FEBCQOPCMIBYTL-LBPRGKRZSA-N -1 3 351.366 2.745 20 30 FFEDHM CCc1nn(C)cc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825763495 608882023 /nfs/dbraw/zinc/88/20/23/608882023.db2.gz XEOADTFDTLRLJD-UHFFFAOYSA-N -1 3 364.335 2.627 20 30 FFEDHM CCc1nn(C)cc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825763495 608882025 /nfs/dbraw/zinc/88/20/25/608882025.db2.gz XEOADTFDTLRLJD-UHFFFAOYSA-N -1 3 364.335 2.627 20 30 FFEDHM COCCc1nc(C)c(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826163007 608882773 /nfs/dbraw/zinc/88/27/73/608882773.db2.gz BZCGPSUCZLBPQS-UHFFFAOYSA-N -1 3 357.443 2.657 20 30 FFEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963091 609159732 /nfs/dbraw/zinc/15/97/32/609159732.db2.gz VHXYJTXOVUZPSL-UHFFFAOYSA-N -1 3 368.376 2.999 20 30 FFEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963091 609159734 /nfs/dbraw/zinc/15/97/34/609159734.db2.gz VHXYJTXOVUZPSL-UHFFFAOYSA-N -1 3 368.376 2.999 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000826190488 609270068 /nfs/dbraw/zinc/27/00/68/609270068.db2.gz CUJPAZXETHDGAN-KXFIGUGUSA-N -1 3 369.312 2.819 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826190488 609270069 /nfs/dbraw/zinc/27/00/69/609270069.db2.gz CUJPAZXETHDGAN-KXFIGUGUSA-N -1 3 369.312 2.819 20 30 FFEDHM COCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826163185 609271718 /nfs/dbraw/zinc/27/17/18/609271718.db2.gz JJCCAKVTHUIGMF-YVMONPNESA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826163185 609271719 /nfs/dbraw/zinc/27/17/19/609271719.db2.gz JJCCAKVTHUIGMF-YVMONPNESA-N -1 3 368.368 2.927 20 30 FFEDHM COc1ccc(CCNN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826192571 609277822 /nfs/dbraw/zinc/27/78/22/609277822.db2.gz SOUPNYMZLDLZRJ-UHFFFAOYSA-N -1 3 354.389 2.571 20 30 FFEDHM COc1ccc(CCNN=C(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826192571 609277823 /nfs/dbraw/zinc/27/78/23/609277823.db2.gz SOUPNYMZLDLZRJ-UHFFFAOYSA-N -1 3 354.389 2.571 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)n2)cc1-c1nnn[n-]1 ZINC000826385508 609384596 /nfs/dbraw/zinc/38/45/96/609384596.db2.gz PPVCKMJJGBJVKP-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)n2)cc1-c1nn[n-]n1 ZINC000826385508 609384599 /nfs/dbraw/zinc/38/45/99/609384599.db2.gz PPVCKMJJGBJVKP-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM Clc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC000826352497 609470315 /nfs/dbraw/zinc/47/03/15/609470315.db2.gz CSVUVEWFRLYBGR-UHFFFAOYSA-N -1 3 354.801 2.797 20 30 FFEDHM Clc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000826352497 609470316 /nfs/dbraw/zinc/47/03/16/609470316.db2.gz CSVUVEWFRLYBGR-UHFFFAOYSA-N -1 3 354.801 2.797 20 30 FFEDHM O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc([O-])c(Br)c1 ZINC000156557484 728854341 /nfs/dbraw/zinc/85/43/41/728854341.db2.gz QPWRVIQHAZFKHL-UHFFFAOYSA-N -1 3 374.190 2.551 20 30 FFEDHM COc1cccc2cc(C=N[N-]S(=O)(=O)CCc3ccccc3)oc21 ZINC000743449171 735298573 /nfs/dbraw/zinc/29/85/73/735298573.db2.gz OZXPLEJZMNDABX-UHFFFAOYSA-N -1 3 358.419 2.937 20 30 FFEDHM COC(=O)C[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(Cl)c1 ZINC000743501903 735302124 /nfs/dbraw/zinc/30/21/24/735302124.db2.gz SUOMKTGUBIOTBD-JZKGFHEDSA-N -1 3 362.813 2.965 20 30 FFEDHM C[C@H](C(=O)[N-]CC(F)(C(F)(F)F)C(F)(F)F)N(C)CC(F)(F)F ZINC000899097550 735446850 /nfs/dbraw/zinc/44/68/50/735446850.db2.gz ZFKWDFWFHURCQN-RXMQYKEDSA-N -1 3 366.199 2.818 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093945173 728479327 /nfs/dbraw/zinc/47/93/27/728479327.db2.gz KRLXCDCROJKUJV-UHFFFAOYSA-N -1 3 360.435 2.592 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)ccc1F ZINC000174332594 729069398 /nfs/dbraw/zinc/06/93/98/729069398.db2.gz IDZQDVLNNLLINP-XJKSGUPXSA-N -1 3 366.458 2.695 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1F ZINC000229611575 729550285 /nfs/dbraw/zinc/55/02/85/729550285.db2.gz LDSNGDPMBCFADH-HEHGZKQESA-N -1 3 368.474 2.845 20 30 FFEDHM C=CCCC(=O)COC(=O)c1ccc(I)c([O-])c1 ZINC000760810760 736670236 /nfs/dbraw/zinc/67/02/36/736670236.db2.gz APFFZCPNBHQGIG-UHFFFAOYSA-N -1 3 360.147 2.689 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC2(C#N)CCC2)ccc1F ZINC000762100456 736793046 /nfs/dbraw/zinc/79/30/46/736793046.db2.gz QSAFDAYUGQEYTE-UHFFFAOYSA-N -1 3 354.403 2.506 20 30 FFEDHM C=CCC(F)(F)C(=O)[N-][C@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1 ZINC000862331407 730688824 /nfs/dbraw/zinc/68/88/24/730688824.db2.gz FIPHDKMKBCOIJZ-QWHCGFSZSA-N -1 3 361.772 2.633 20 30 FFEDHM C#CC[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000862569015 730709601 /nfs/dbraw/zinc/70/96/01/730709601.db2.gz LJHBTHGTGISKGW-NSHDSACASA-N -1 3 359.223 2.776 20 30 FFEDHM O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000879943120 732807368 /nfs/dbraw/zinc/80/73/68/732807368.db2.gz UYWSJGCUUPHFHD-VIFPVBQESA-N -1 3 367.711 2.740 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCC(C)(C)C#N)ccc1F ZINC000782697491 738749415 /nfs/dbraw/zinc/74/94/15/738749415.db2.gz SBUABIIJOZXVPO-UHFFFAOYSA-N -1 3 368.430 2.777 20 30 FFEDHM C=CCOCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000683145635 734128038 /nfs/dbraw/zinc/12/80/38/734128038.db2.gz VRZCSWOLTCZIDR-UHFFFAOYSA-N -1 3 354.653 2.583 20 30 FFEDHM C=C(C)CN(CC)C(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365587 734633622 /nfs/dbraw/zinc/63/36/22/734633622.db2.gz VCCXXBFUKPRPBB-UHFFFAOYSA-N -1 3 356.216 2.736 20 30 FFEDHM Cc1nc(C)c(CC(=O)[C@@H](C#N)c2nc3cc(F)ccc3s2)c(=O)[n-]1 ZINC000730417624 734636443 /nfs/dbraw/zinc/63/64/43/734636443.db2.gz OYMRDRNXHPPQJD-GFCCVEGCSA-N -1 3 356.382 2.967 20 30 FFEDHM C#CCSCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000896628605 735177193 /nfs/dbraw/zinc/17/71/93/735177193.db2.gz UYKDPXCJIMHAJI-UHFFFAOYSA-N -1 3 366.870 2.589 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(Cl)nc(N(C)C)c3)nc1-2 ZINC000750724528 735812156 /nfs/dbraw/zinc/81/21/56/735812156.db2.gz NQMAFUGNGAKIIU-NSHDSACASA-N -1 3 354.801 2.871 20 30 FFEDHM COc1cc(C)c(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)cc1Cl ZINC000901771139 735836710 /nfs/dbraw/zinc/83/67/10/735836710.db2.gz HZOCMOSYECJFAD-NSHDSACASA-N -1 3 356.753 2.780 20 30 FFEDHM CCOc1cc(/C=C2/C(=O)c3ncnn3[C@H]2C)cc(Br)c1[O-] ZINC000905080287 736293084 /nfs/dbraw/zinc/29/30/84/736293084.db2.gz JVOSHKDDWRNILQ-JVVDXDAESA-N -1 3 364.199 2.986 20 30 FFEDHM C=C(C)[C@H](C)OC(=O)[C@H](CCCC)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000756006980 736298553 /nfs/dbraw/zinc/29/85/53/736298553.db2.gz RMVPBQFMUYKPCU-ZFWWWQNUSA-N -1 3 364.467 2.792 20 30 FFEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000907227753 736599362 /nfs/dbraw/zinc/59/93/62/736599362.db2.gz YKZMMZUOTILXSX-UHFFFAOYSA-N -1 3 354.428 2.570 20 30 FFEDHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000760894637 736677912 /nfs/dbraw/zinc/67/79/12/736677912.db2.gz RZZUCHWPSVSNDT-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM COc1ccc(CN=Nc2oc(C)nc2C#N)c(Br)c1[O-] ZINC000761013362 736687712 /nfs/dbraw/zinc/68/77/12/736687712.db2.gz SERKQOGDWASQPT-UHFFFAOYSA-N -1 3 351.160 2.777 20 30 FFEDHM CC(C)(C)c1coc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)n1 ZINC000907953730 736694752 /nfs/dbraw/zinc/69/47/52/736694752.db2.gz USHDYRWQWKPWBO-UHFFFAOYSA-N -1 3 351.403 2.602 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC(C)(C)C2)ccc1F ZINC000768526623 737429422 /nfs/dbraw/zinc/42/94/22/737429422.db2.gz GDAOQZIRFMVEMR-ZDUSSCGKSA-N -1 3 354.447 2.599 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)OCCCCC(C)(C)C#N)ccc1F ZINC000768744491 737454397 /nfs/dbraw/zinc/45/43/97/737454397.db2.gz DYEJXEJHAHTVIE-UHFFFAOYSA-N -1 3 356.419 2.611 20 30 FFEDHM C#C[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000770364430 737619402 /nfs/dbraw/zinc/61/94/02/737619402.db2.gz MGITWGSVEPWLBU-SECBINFHSA-N -1 3 371.281 2.873 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ncc(C)o2)ccc1F ZINC000770942412 737677591 /nfs/dbraw/zinc/67/75/91/737677591.db2.gz HVDSWUAGXCAJOZ-LLVKDONJSA-N -1 3 368.386 2.504 20 30 FFEDHM O=C1[N-]C2(CCCCC2)C(=O)N1N=Cc1c(F)c(F)c(F)c(F)c1F ZINC000916325939 737697285 /nfs/dbraw/zinc/69/72/85/737697285.db2.gz QEESWSPRPYQKKJ-UHFFFAOYSA-N -1 3 361.270 2.971 20 30 FFEDHM [O-]c1ccc(Br)cc1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000916367816 737699006 /nfs/dbraw/zinc/69/90/06/737699006.db2.gz PTVBGMXUAJVLKV-NSHDSACASA-N -1 3 369.244 2.769 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CCCCC1 ZINC000922028196 738081408 /nfs/dbraw/zinc/08/14/08/738081408.db2.gz AFWHHSOLLROSBU-UHFFFAOYSA-N -1 3 370.858 2.526 20 30 FFEDHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C#N)CC(C)C)c(C)c1Cl ZINC000788549891 739257374 /nfs/dbraw/zinc/25/73/74/739257374.db2.gz XCKWYOHVCMPKIZ-VIFPVBQESA-N -1 3 364.876 2.713 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)[N-][C@@H](C#N)C2CC2)CC1 ZINC000932376979 739442586 /nfs/dbraw/zinc/44/25/86/739442586.db2.gz FGTRCAZLKFCXGK-ZDUSSCGKSA-N -1 3 357.401 2.687 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(C#N)c(F)c2)ccc1F ZINC000791362495 739553358 /nfs/dbraw/zinc/55/33/58/739553358.db2.gz VYMJTSJLPTZBDY-UHFFFAOYSA-N -1 3 366.345 2.565 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000795565983 740038537 /nfs/dbraw/zinc/03/85/37/740038537.db2.gz GOBFEHWQAPKRHM-YVEFUNNKSA-N -1 3 368.430 2.753 20 30 FFEDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000795565982 740038586 /nfs/dbraw/zinc/03/85/86/740038586.db2.gz GOBFEHWQAPKRHM-SJKOYZFVSA-N -1 3 368.430 2.753 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCc2cc(Cl)ccc2[O-])C1 ZINC000798274777 740318905 /nfs/dbraw/zinc/31/89/05/740318905.db2.gz KJMBBALCXHAFTC-OCCSQVGLSA-N -1 3 351.834 2.894 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000811186582 741491709 /nfs/dbraw/zinc/49/17/09/741491709.db2.gz QWBMZLWNCLOCSC-INIZCTEOSA-N -1 3 356.765 2.880 20 30 FFEDHM O=C(COC(=O)c1c(F)cc(C(F)(F)F)cc1F)[N-]CC(F)(F)F ZINC000811419343 741519202 /nfs/dbraw/zinc/51/92/02/741519202.db2.gz AGWSZIPETQISNG-UHFFFAOYSA-N -1 3 365.176 2.819 20 30 FFEDHM Cc1nc(C)c(CC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c(=O)[n-]1 ZINC000813210932 741692944 /nfs/dbraw/zinc/69/29/44/741692944.db2.gz BOQFQQOFIQYLGQ-GFCCVEGCSA-N -1 3 350.300 2.632 20 30 FFEDHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816756914 742059094 /nfs/dbraw/zinc/05/90/94/742059094.db2.gz HVTORWLBUWSPLL-NSHDSACASA-N -1 3 367.764 2.553 20 30 FFEDHM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816758000 742059339 /nfs/dbraw/zinc/05/93/39/742059339.db2.gz GJJONZHHLSMTMC-ZDUSSCGKSA-N -1 3 360.435 2.924 20 30 FFEDHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816759730 742059458 /nfs/dbraw/zinc/05/94/58/742059458.db2.gz SXDGWDIYVGBPSY-GFCCVEGCSA-N -1 3 365.842 2.882 20 30 FFEDHM CN(CC(C)(C)C#N)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000817617825 742183797 /nfs/dbraw/zinc/18/37/97/742183797.db2.gz GXGKVZUSPIUUMQ-UHFFFAOYSA-N -1 3 369.462 2.524 20 30 FFEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958371 743004302 /nfs/dbraw/zinc/00/43/02/743004302.db2.gz LQOQAPAEMRMHFI-UHFFFAOYSA-N -1 3 354.321 2.573 20 30 FFEDHM COc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1C#N ZINC000826204475 743374492 /nfs/dbraw/zinc/37/44/92/743374492.db2.gz MRRXJSCGLMFQCA-UHFFFAOYSA-N -1 3 355.789 2.716 20 30 FFEDHM COc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1C#N ZINC000826204475 743374497 /nfs/dbraw/zinc/37/44/97/743374497.db2.gz MRRXJSCGLMFQCA-UHFFFAOYSA-N -1 3 355.789 2.716 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc3cnccc32)n1 ZINC000826350254 743381492 /nfs/dbraw/zinc/38/14/92/743381492.db2.gz NZNPODCCCAPPOQ-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc3cnccc32)n1 ZINC000826350254 743381498 /nfs/dbraw/zinc/38/14/98/743381498.db2.gz NZNPODCCCAPPOQ-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCSc1ccccc1 ZINC000826383673 743383116 /nfs/dbraw/zinc/38/31/16/743383116.db2.gz LEHXNLHSVXLJLQ-UHFFFAOYSA-N -1 3 355.452 2.600 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCSc1ccccc1 ZINC000826383673 743383127 /nfs/dbraw/zinc/38/31/27/743383127.db2.gz LEHXNLHSVXLJLQ-UHFFFAOYSA-N -1 3 355.452 2.600 20 30 FFEDHM C=CCC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000837025252 746351865 /nfs/dbraw/zinc/35/18/65/746351865.db2.gz GGOOVIUJWSSHIG-ZDUSSCGKSA-N -1 3 356.325 2.701 20 30 FFEDHM C=CCONC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000838704921 746698697 /nfs/dbraw/zinc/69/86/97/746698697.db2.gz XVWPXXOSWBLBLQ-UHFFFAOYSA-N -1 3 353.806 2.523 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000846544439 748499825 /nfs/dbraw/zinc/49/98/25/748499825.db2.gz GXSYOPIDYIRZDL-BIBXISHDSA-N -1 3 360.273 2.959 20 30 FFEDHM CCCCOc1c(Cl)cc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1OC ZINC000848139041 748850981 /nfs/dbraw/zinc/85/09/81/748850981.db2.gz WSDSQYWSSXMVET-ZDUSSCGKSA-N -1 3 370.833 2.638 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OCc1ccccc1 ZINC000848464555 748933989 /nfs/dbraw/zinc/93/39/89/748933989.db2.gz CATIYQVWSUTMCD-HNNXBMFYSA-N -1 3 364.467 2.512 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854648206 750344656 /nfs/dbraw/zinc/34/46/56/750344656.db2.gz AHRIPFQRXFPIPZ-SJORKVTESA-N -1 3 358.825 2.968 20 30 FFEDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(OCC#N)c2)cc1F ZINC000122236254 845640865 /nfs/dbraw/zinc/64/08/65/845640865.db2.gz OMVVNZUAYVCKGY-UHFFFAOYSA-N -1 3 352.362 2.654 20 30 FFEDHM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737727985 945118567 /nfs/dbraw/zinc/11/85/67/945118567.db2.gz VXWRNYQQJZECMH-UHFFFAOYSA-N -1 3 371.360 2.573 20 30 FFEDHM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737727985 945118571 /nfs/dbraw/zinc/11/85/71/945118571.db2.gz VXWRNYQQJZECMH-UHFFFAOYSA-N -1 3 371.360 2.573 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)CC1 ZINC000908946940 939360735 /nfs/dbraw/zinc/36/07/35/939360735.db2.gz XYHRLVVYZNHDLU-FQEVSTJZSA-N -1 3 359.470 2.716 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823894112 946500991 /nfs/dbraw/zinc/50/09/91/946500991.db2.gz HURGRXSYFNAYTF-RHSMWYFYSA-N -1 3 370.457 2.694 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823894112 946501000 /nfs/dbraw/zinc/50/10/00/946501000.db2.gz HURGRXSYFNAYTF-RHSMWYFYSA-N -1 3 370.457 2.694 20 30 FFEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])[C@H]2CC)cc1 ZINC000984596103 971257641 /nfs/dbraw/zinc/25/76/41/971257641.db2.gz MWFGSMYULQRJKO-RBUKOAKNSA-N -1 3 362.429 2.797 20 30 FFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000824739324 946920834 /nfs/dbraw/zinc/92/08/34/946920834.db2.gz WFRCHUBFPJXOMN-BLLLJJGKSA-N -1 3 355.398 2.650 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000824756985 946929616 /nfs/dbraw/zinc/92/96/16/946929616.db2.gz STHRBOVQMKGNMZ-LRDDRELGSA-N -1 3 355.398 2.650 20 30 FFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000824756985 946929618 /nfs/dbraw/zinc/92/96/18/946929618.db2.gz STHRBOVQMKGNMZ-LRDDRELGSA-N -1 3 355.398 2.650 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573306480 947171440 /nfs/dbraw/zinc/17/14/40/947171440.db2.gz KUOLUGPAOOBOLB-FZKQIMNGSA-N -1 3 374.514 2.611 20 30 FFEDHM C=CCC(C)(C)C(=O)NC/C=C/CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573318317 947305205 /nfs/dbraw/zinc/30/52/05/947305205.db2.gz AGIUCSLBKUAGND-AATRIKPKSA-N -1 3 358.421 2.692 20 30 FFEDHM C=CCC(C)(C)C(=O)NC/C=C/CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573318317 947305222 /nfs/dbraw/zinc/30/52/22/947305222.db2.gz AGIUCSLBKUAGND-AATRIKPKSA-N -1 3 358.421 2.692 20 30 FFEDHM C=CCC(C)(C)CNC(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001573319013 947321480 /nfs/dbraw/zinc/32/14/80/947321480.db2.gz JFEFFPAVLFVWEK-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM C=CCC(C)(C)CNC(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001573319013 947321497 /nfs/dbraw/zinc/32/14/97/947321497.db2.gz JFEFFPAVLFVWEK-UHFFFAOYSA-N -1 3 372.473 2.627 20 30 FFEDHM C=C[C@@H](C)ONC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001573320521 947351023 /nfs/dbraw/zinc/35/10/23/947351023.db2.gz YNVRYLTYYZBBIO-GFCCVEGCSA-N -1 3 351.366 2.895 20 30 FFEDHM C=C[C@@H](C)ONC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001573320521 947351030 /nfs/dbraw/zinc/35/10/30/947351030.db2.gz YNVRYLTYYZBBIO-GFCCVEGCSA-N -1 3 351.366 2.895 20 30 FFEDHM C=CC[C@@H](NC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)c1ccncc1 ZINC001573326908 947380076 /nfs/dbraw/zinc/38/00/76/947380076.db2.gz YHLGHZWTGMHNDX-MRXNPFEDSA-N -1 3 359.393 2.790 20 30 FFEDHM C=CC[C@@H](NC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)c1ccncc1 ZINC001573326908 947380083 /nfs/dbraw/zinc/38/00/83/947380083.db2.gz YHLGHZWTGMHNDX-MRXNPFEDSA-N -1 3 359.393 2.790 20 30 FFEDHM C[C@H](NC(=O)C(F)(F)c1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001575252735 949171800 /nfs/dbraw/zinc/17/18/00/949171800.db2.gz RDMQMVCMBMMPHP-NSHDSACASA-N -1 3 368.347 2.708 20 30 FFEDHM N#Cc1ccc(Cn2cc(NC(=O)c3[n-]cnc3C(F)(F)F)cn2)cc1 ZINC001174793156 1013296915 /nfs/dbraw/zinc/29/69/15/1013296915.db2.gz TYTMAEBSJIFTKG-UHFFFAOYSA-N -1 3 360.299 2.797 20 30 FFEDHM N#Cc1ccc(Cn2cc(NC(=O)c3nc[n-]c3C(F)(F)F)cn2)cc1 ZINC001174793156 1013296925 /nfs/dbraw/zinc/29/69/25/1013296925.db2.gz TYTMAEBSJIFTKG-UHFFFAOYSA-N -1 3 360.299 2.797 20 30 FFEDHM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNCc2ccccc2C#N)C1 ZINC001087154763 963906440 /nfs/dbraw/zinc/90/64/40/963906440.db2.gz JDZNMDQNSPXCJU-QAPCUYQASA-N -1 3 364.449 2.689 20 30 FFEDHM C=CCOc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000255355835 964173039 /nfs/dbraw/zinc/17/30/39/964173039.db2.gz IECJVGYNWRJZST-ZQMJAJRESA-N -1 3 365.389 2.598 20 30 FFEDHM N#Cc1ccc(OC(F)F)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255657857 968552607 /nfs/dbraw/zinc/55/26/07/968552607.db2.gz HXBCDXXPOAGWDZ-LCYFTJDESA-N -1 3 355.300 2.883 20 30 FFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3coc4c3C(=O)CCC4)n2)cc1 ZINC001126549180 969118513 /nfs/dbraw/zinc/11/85/13/969118513.db2.gz BGJFEIOONLZKJU-UHFFFAOYSA-N -1 3 361.361 2.562 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(Cc3ccccc3)c2)c1 ZINC000127083670 972805039 /nfs/dbraw/zinc/80/50/39/972805039.db2.gz NHWNCCZRCSJUKH-IBGZPJMESA-N -1 3 374.400 2.901 20 30 FFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(OC)cc1[O-] ZINC001271433211 972989752 /nfs/dbraw/zinc/98/97/52/972989752.db2.gz CGTYHJLXVCBULU-HXUWFJFHSA-N -1 3 358.438 2.574 20 30 FFEDHM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001271434554 972997980 /nfs/dbraw/zinc/99/79/80/972997980.db2.gz WIYITPHTRZBFOW-HXUWFJFHSA-N -1 3 358.438 2.519 20 30 FFEDHM N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)c4ccccc4[O-])[C@@H]3C2)s1 ZINC001075564231 973929150 /nfs/dbraw/zinc/92/91/50/973929150.db2.gz JPGWFRUZCQHSQO-SUMWQHHRSA-N -1 3 353.447 2.672 20 30 FFEDHM CCCN(C)[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001603655194 974028614 /nfs/dbraw/zinc/02/86/14/974028614.db2.gz XGXRKYUPZNOKLE-YJBOKZPZSA-N -1 3 365.861 2.844 20 30 FFEDHM CC(C)(C)n1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1C1CC1 ZINC000126341977 1014475685 /nfs/dbraw/zinc/47/56/85/1014475685.db2.gz XDAGVEIBNQILLK-ZDUSSCGKSA-N -1 3 351.410 2.872 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnn(-c2cccc(Cl)c2)c1 ZINC000126335060 1014475306 /nfs/dbraw/zinc/47/53/06/1014475306.db2.gz WFTDOYDZYQWFDI-HNNXBMFYSA-N -1 3 365.780 2.882 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1Cc1ccc(C#N)c(F)c1 ZINC001088471577 979755965 /nfs/dbraw/zinc/75/59/65/979755965.db2.gz UBOAIBZEMJZYHM-ACJLOTCBSA-N -1 3 353.397 2.796 20 30 FFEDHM Cn1ccnc1CN1CCC(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC000904196708 980213431 /nfs/dbraw/zinc/21/34/31/980213431.db2.gz CVZBVYDASJOJHQ-UHFFFAOYSA-N -1 3 370.497 2.873 20 30 FFEDHM C=CCn1cccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC000995794392 984127812 /nfs/dbraw/zinc/12/78/12/984127812.db2.gz LUOYLCXLDKWGIL-PVAVHDDUSA-N -1 3 365.433 2.555 20 30 FFEDHM CN(Cc1ccccc1)c1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000878377657 1015015748 /nfs/dbraw/zinc/01/57/48/1015015748.db2.gz VNZPLBTZEZILKZ-GOSISDBHSA-N -1 3 368.437 2.825 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(NC(=O)NC(C)C)cc2)c1[O-] ZINC000915271208 988359392 /nfs/dbraw/zinc/35/93/92/988359392.db2.gz OGCYCVRXIXTFPD-JMIUGGIZSA-N -1 3 356.426 2.737 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001597584515 988389653 /nfs/dbraw/zinc/38/96/53/988389653.db2.gz CZCKXQKFRARGKI-OWCLPIDISA-N -1 3 356.422 2.960 20 30 FFEDHM COc1cc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)c(OC)cc1[O-] ZINC000763107824 989041900 /nfs/dbraw/zinc/04/19/00/989041900.db2.gz YAYDWPJJBBPXBX-WAYWQWQTSA-N -1 3 355.394 2.696 20 30 FFEDHM COc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000916321180 989777361 /nfs/dbraw/zinc/77/73/61/989777361.db2.gz UANBCZPASOGZOU-MRXNPFEDSA-N -1 3 368.418 2.970 20 30 FFEDHM C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)cc1 ZINC000994398214 990029261 /nfs/dbraw/zinc/02/92/61/990029261.db2.gz CKQXKPBOQRZNIW-CRAIPNDOSA-N -1 3 362.429 2.512 20 30 FFEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)n[nH]1 ZINC000916943839 990061905 /nfs/dbraw/zinc/06/19/05/990061905.db2.gz ZPNIZAOABNBPLZ-HNNXBMFYSA-N -1 3 368.393 2.500 20 30 FFEDHM N#Cc1ccc([C@@H](O)CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000879446688 1015539938 /nfs/dbraw/zinc/53/99/38/1015539938.db2.gz NFQDVRUFWOSLRP-FQEVSTJZSA-N -1 3 371.868 2.768 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc2c1OCO2 ZINC000917425809 990217882 /nfs/dbraw/zinc/21/78/82/990217882.db2.gz CTAVCIYEZOMWDH-ZDUSSCGKSA-N -1 3 352.346 2.775 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(N3CCCC3=O)cc2)c1[O-] ZINC000920941799 990941515 /nfs/dbraw/zinc/94/15/15/990941515.db2.gz RFOLLYIBFDYDGL-XIJPWPHISA-N -1 3 353.422 2.895 20 30 FFEDHM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001598498753 992399949 /nfs/dbraw/zinc/39/99/49/992399949.db2.gz MGUFYNQJFBOYCI-ROFLEHJCSA-N -1 3 366.417 2.700 20 30 FFEDHM CC1CCC(N(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)C2CC2)CC1 ZINC000811184013 995050471 /nfs/dbraw/zinc/05/04/71/995050471.db2.gz FNJISFTWHLOOJJ-UHFFFAOYSA-N -1 3 356.422 2.990 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OC[C@@H]2CCN(C(=O)c3ccccc3)C2)c1 ZINC000811186283 995051826 /nfs/dbraw/zinc/05/18/26/995051826.db2.gz JIMWXQTUURWISB-CQSZACIVSA-N -1 3 350.374 2.583 20 30 FFEDHM Cc1ccc(N2CCC[C@H](OC(=O)c3cc([O-])cc(C#N)c3)C2=O)cc1 ZINC000811186424 995051885 /nfs/dbraw/zinc/05/18/85/995051885.db2.gz NCZLTUVBXUCQPN-SFHVURJKSA-N -1 3 350.374 2.925 20 30 FFEDHM CC(C)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000811188027 995052264 /nfs/dbraw/zinc/05/22/64/995052264.db2.gz SXEGQIITSXRIQE-IYOUNJFTSA-N -1 3 358.438 2.950 20 30 FFEDHM CC(C)[C@@H](CNC(=O)COC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811185343 995052456 /nfs/dbraw/zinc/05/24/56/995052456.db2.gz JOZSPBOPPMCTLM-LJQANCHMSA-N -1 3 366.417 2.977 20 30 FFEDHM C#CCOc1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000730500208 997227966 /nfs/dbraw/zinc/22/79/66/997227966.db2.gz HCZVLUVGBWAYJL-UHFFFAOYSA-N -1 3 350.374 2.826 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CCc2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000731562254 998009525 /nfs/dbraw/zinc/00/95/25/998009525.db2.gz SMDOJFRHDVJABN-AWQFTUOYSA-N -1 3 372.812 2.953 20 30 FFEDHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(Oc3ccc(C#N)cc3F)CC2)O1 ZINC001594103429 998133561 /nfs/dbraw/zinc/13/35/61/998133561.db2.gz WDWNMDMIUFDTSK-OAHLLOKOSA-N -1 3 360.385 2.688 20 30 FFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cncc([O-])c1 ZINC000732393246 998650285 /nfs/dbraw/zinc/65/02/85/998650285.db2.gz OVVGLLMQSSUXTE-GFCCVEGCSA-N -1 3 371.418 2.834 20 30 FFEDHM COC(=O)CCCOc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000734096293 999194370 /nfs/dbraw/zinc/19/43/70/999194370.db2.gz LXHXFNQBSHSUTF-CIAFOILYSA-N -1 3 372.421 2.539 20 30 FFEDHM CC(C)(C)OC(=O)NCc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000766275222 999740883 /nfs/dbraw/zinc/74/08/83/999740883.db2.gz OXHIIEHSVLZMTM-OAHLLOKOSA-N -1 3 352.394 2.991 20 30 FFEDHM O=C1Nc2cc([O-])ccc2C1=NNc1nc(-c2ccccn2)nc2c1CCC2 ZINC000741813025 999743942 /nfs/dbraw/zinc/74/39/42/999743942.db2.gz JJHIZRWPJBGQKQ-UHFFFAOYSA-N -1 3 372.388 2.501 20 30 FFEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000745652314 999924171 /nfs/dbraw/zinc/92/41/71/999924171.db2.gz IGBYBUWHLJRQKL-LBPRGKRZSA-N -1 3 364.398 2.540 20 30 FFEDHM O=C1c2ccccc2C(=O)C(Nc2cc(F)cc(-c3nnn[n-]3)c2)=C1Cl ZINC001169048079 1000018681 /nfs/dbraw/zinc/01/86/81/1000018681.db2.gz MEIXPZLLJMXZHA-UHFFFAOYSA-N -1 3 369.743 2.947 20 30 FFEDHM O=C1c2ccccc2C(=O)C(Nc2cc(F)cc(-c3nn[n-]n3)c2)=C1Cl ZINC001169048079 1000018682 /nfs/dbraw/zinc/01/86/82/1000018682.db2.gz MEIXPZLLJMXZHA-UHFFFAOYSA-N -1 3 369.743 2.947 20 30 FFEDHM C#CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000769725588 1000587012 /nfs/dbraw/zinc/58/70/12/1000587012.db2.gz RTKBGAOBZDFROI-UHFFFAOYSA-N -1 3 364.401 2.721 20 30 FFEDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]2C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001146306222 1000654520 /nfs/dbraw/zinc/65/45/20/1000654520.db2.gz GADLONLVXYSIFM-SOUVJXGZSA-N -1 3 357.410 2.990 20 30 FFEDHM Cc1sc2nc(C(F)(F)F)nc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c2c1C ZINC001171362798 1001718700 /nfs/dbraw/zinc/71/87/00/1001718700.db2.gz LOXZLTRXMWKKMC-CDUCUWFYSA-N -1 3 360.361 2.975 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2c(c1)[C@@H](c1ccccc1)CC(=O)N2 ZINC001171365541 1001768004 /nfs/dbraw/zinc/76/80/04/1001768004.db2.gz BTPZPESYOYCWFJ-HGQUKEQDSA-N -1 3 351.406 2.809 20 30 FFEDHM COc1cc(OC2CC2)ccc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000791784188 1002817795 /nfs/dbraw/zinc/81/77/95/1002817795.db2.gz QDYISLGOYFEDNE-OAHLLOKOSA-N -1 3 351.362 2.593 20 30 FFEDHM C[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001092468093 1002924839 /nfs/dbraw/zinc/92/48/39/1002924839.db2.gz LGQWRZWRZXWVHR-RHSMWYFYSA-N -1 3 367.424 2.901 20 30 FFEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2cc(NC(C)=O)ncn2)c(F)c1F ZINC001186713051 1003395244 /nfs/dbraw/zinc/39/52/44/1003395244.db2.gz KUMWFLWHXPNWRT-UHFFFAOYSA-N -1 3 368.290 2.972 20 30 FFEDHM CCCCN(CC#N)C(=O)c1cc([O-])cc(I)c1 ZINC001196408384 1003770853 /nfs/dbraw/zinc/77/08/53/1003770853.db2.gz CELIQJCCTXMEBV-UHFFFAOYSA-N -1 3 358.179 2.763 20 30 FFEDHM Cc1c(Cl)c(C(=O)Nc2ccc([O-])c(C#N)c2)ccc1S(C)(=O)=O ZINC001191337487 1003774893 /nfs/dbraw/zinc/77/48/93/1003774893.db2.gz HUHCAFPPHYDYAK-UHFFFAOYSA-N -1 3 364.810 2.882 20 30 FFEDHM C[C@H]1CCN(CCOc2ccc(C#N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805785377 1004131733 /nfs/dbraw/zinc/13/17/33/1004131733.db2.gz HHICIYUMRYWQAI-XEZPLFJOSA-N -1 3 369.387 2.714 20 30 FFEDHM CCOC(=O)c1cc(Cl)c([N-]S(=O)(=O)[C@@H](C)C#N)c(Cl)c1 ZINC001193150267 1004391054 /nfs/dbraw/zinc/39/10/54/1004391054.db2.gz DJBKUQVXHWMXJQ-ZETCQYMHSA-N -1 3 351.211 2.824 20 30 FFEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)OC ZINC001193573420 1004515384 /nfs/dbraw/zinc/51/53/84/1004515384.db2.gz LUKYBBDDWYSSKF-CYBMUJFWSA-N -1 3 355.387 2.666 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cn(-c3cccc(C)c3)nn2)c1 ZINC000102119461 1005021763 /nfs/dbraw/zinc/02/17/63/1005021763.db2.gz MXRSAPPVMMEBAB-QGZVFWFLSA-N -1 3 359.389 2.845 20 30 FFEDHM COC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1F ZINC001201323586 1005199773 /nfs/dbraw/zinc/19/97/73/1005199773.db2.gz JTILLXFSBZXTOO-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000776275622 1005341612 /nfs/dbraw/zinc/34/16/12/1005341612.db2.gz VCAOONPRHVZNCS-LBPRGKRZSA-N -1 3 353.378 2.514 20 30 FFEDHM N#Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187985113 1006352607 /nfs/dbraw/zinc/35/26/07/1006352607.db2.gz DRULYJLIIHLQSD-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM N#Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187985296 1006353771 /nfs/dbraw/zinc/35/37/71/1006353771.db2.gz MHPQWLCPTKDSAP-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM COc1ccc(-c2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)c(F)c2)cc1 ZINC000816757511 1007191843 /nfs/dbraw/zinc/19/18/43/1007191843.db2.gz UOUCRBNHSIMIMH-KRWDZBQOSA-N -1 3 358.369 2.611 20 30 FFEDHM C=C[C@H]1C[C@]1(NC(=O)c1cccc(OC(F)(F)F)c1[O-])C(=O)OCC ZINC001189766531 1007264081 /nfs/dbraw/zinc/26/40/81/1007264081.db2.gz WIDAXEPBFQYWON-BJOHPYRUSA-N -1 3 359.300 2.528 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C2(O)CCC2)c1 ZINC001190671663 1007728872 /nfs/dbraw/zinc/72/88/72/1007728872.db2.gz UOTWCCVDRIQXAC-QGZVFWFLSA-N -1 3 360.410 2.632 20 30 FFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cnc(F)c(C)c2)C1=O ZINC000857718655 1008195938 /nfs/dbraw/zinc/19/59/38/1008195938.db2.gz QQNDGKOSJHKANZ-SFHVURJKSA-N -1 3 364.421 2.845 20 30 FFEDHM O=C(Cn1c2ccccc2nc1C1CCCCC1)N[C@@H]1CCCN([O-])C1=O ZINC000820471150 1008338791 /nfs/dbraw/zinc/33/87/91/1008338791.db2.gz OKRYLWHTVSNGBP-MRXNPFEDSA-N -1 3 370.453 2.580 20 30 FFEDHM COC(=O)CCc1ccc([O-])c(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 ZINC001177800178 1008752577 /nfs/dbraw/zinc/75/25/77/1008752577.db2.gz DIIXRLVJKKGCEF-ONNFQVAWSA-N -1 3 371.364 2.858 20 30 FFEDHM C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1nc(C(F)(F)F)n[n-]1 ZINC001179182972 1009272390 /nfs/dbraw/zinc/27/23/90/1009272390.db2.gz NQQFULXRLQBZQK-VIFPVBQESA-N -1 3 362.315 2.793 20 30 FFEDHM Cc1cccc([O-])c1C(=O)N1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001274020471 1009275142 /nfs/dbraw/zinc/27/51/42/1009275142.db2.gz BUNYAAXWYOKIIE-HXUWFJFHSA-N -1 3 355.438 2.602 20 30 FFEDHM N#CCCCC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001274147755 1009458615 /nfs/dbraw/zinc/45/86/15/1009458615.db2.gz XPDZUWQDWRTMFA-ZMZPIMSZSA-N -1 3 370.434 2.625 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(-n2cccn2)c1 ZINC000121208695 1011048473 /nfs/dbraw/zinc/04/84/73/1011048473.db2.gz FXJADNYITLADHE-UHFFFAOYSA-N -1 3 362.389 2.587 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2OC[C@@H]1F ZINC000928090909 1018792573 /nfs/dbraw/zinc/79/25/73/1018792573.db2.gz VIUQCEASMGXYQP-LPHOPBHVSA-N -1 3 369.396 2.796 20 30 FFEDHM CN(C)S(=O)(=O)c1cc(C(=O)N([O-])Cc2cccc3ccccc32)co1 ZINC000901370806 1019013478 /nfs/dbraw/zinc/01/34/78/1019013478.db2.gz GZAKPZSCKHOXIU-UHFFFAOYSA-N -1 3 374.418 2.715 20 30 FFEDHM N#Cc1ccc(N2CC[C@H](C(=O)NCc3c([O-])cccc3F)C2)c(F)c1 ZINC000928705638 1019084942 /nfs/dbraw/zinc/08/49/42/1019084942.db2.gz KMYSGQDXKHSMKQ-ZDUSSCGKSA-N -1 3 357.360 2.685 20 30 FFEDHM COC(=O)c1c(F)cccc1NN=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000800818958 1020570500 /nfs/dbraw/zinc/57/05/00/1020570500.db2.gz XQRLKFGVNTXQJA-UHFFFAOYSA-N -1 3 363.301 2.681 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC2(CCCC2)OC[C@@H]1C ZINC001122479215 1023294836 /nfs/dbraw/zinc/29/48/36/1023294836.db2.gz QUYKUUNMMBKQHW-AWEZNQCLSA-N -1 3 370.457 2.555 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CCC2)c1 ZINC001122541964 1023330289 /nfs/dbraw/zinc/33/02/89/1023330289.db2.gz DNGGWXGBEDHMJK-HNNXBMFYSA-N -1 3 352.394 2.968 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC2(C[C@@H]1C)CCOCC2 ZINC001122585996 1023353125 /nfs/dbraw/zinc/35/31/25/1023353125.db2.gz GVKKXFAQBSHMQY-ZDUSSCGKSA-N -1 3 359.430 2.610 20 30 FFEDHM CC(=O)Nc1cc(NC(C)=O)cc(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001122715190 1023430430 /nfs/dbraw/zinc/43/04/30/1023430430.db2.gz ZLRJMGIKSUWZNU-HNNXBMFYSA-N -1 3 354.341 2.628 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000755242706 1023583052 /nfs/dbraw/zinc/58/30/52/1023583052.db2.gz GEJFWBZFLBPHID-UHFFFAOYSA-N -1 3 350.418 2.855 20 30 FFEDHM Cc1ccc(O)c(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000755540834 1023608016 /nfs/dbraw/zinc/60/80/16/1023608016.db2.gz ABVGDBGBFYJIDU-INIZCTEOSA-N -1 3 368.418 2.976 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001121546701 1023841180 /nfs/dbraw/zinc/84/11/80/1023841180.db2.gz USBGVLQJCDMBHA-IBGZPJMESA-N -1 3 367.409 2.577 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC[C@H](SC)C1 ZINC001121606593 1023877616 /nfs/dbraw/zinc/87/76/16/1023877616.db2.gz AAIQKUWXZXXQJN-ZDUSSCGKSA-N -1 3 360.487 2.657 20 30 FFEDHM CC(=NNc1ccc2n[nH]cc2c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000779815492 1024731470 /nfs/dbraw/zinc/73/14/70/1024731470.db2.gz ARFDKHSGYYMRPB-UHFFFAOYSA-N -1 3 365.437 2.937 20 30 FFEDHM Cc1c(C)n(Cc2ccccc2)c2ncnc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c12 ZINC001160176383 1027624245 /nfs/dbraw/zinc/62/42/45/1027624245.db2.gz ORKICYQSUZLZLP-SJCJKPOMSA-N -1 3 365.437 2.744 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c[nH]c3cnccc32)c(C)c1[O-] ZINC001153009591 1027744567 /nfs/dbraw/zinc/74/45/67/1027744567.db2.gz ISNBUOXXKQHKPQ-UHFFFAOYSA-N -1 3 364.361 2.878 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ncn3ccccc23)c(C)c1[O-] ZINC001153040287 1027755279 /nfs/dbraw/zinc/75/52/79/1027755279.db2.gz DAAQZSBFAJAOCU-UHFFFAOYSA-N -1 3 364.361 2.649 20 30 FFEDHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2c1=O ZINC001161522005 1028212851 /nfs/dbraw/zinc/21/28/51/1028212851.db2.gz XZONKCVLLLZRIP-UHFFFAOYSA-N -1 3 361.405 2.860 20 30 FFEDHM O=C(Cc1cccc(F)c1)NCC(=O)N([O-])Cc1ccccc1Cl ZINC001161802421 1028317589 /nfs/dbraw/zinc/31/75/89/1028317589.db2.gz VWYALAPIAPXXMV-UHFFFAOYSA-N -1 3 350.777 2.556 20 30 FFEDHM CCCCCCN([O-])C(=O)CNC(=O)c1ccc(Br)cc1 ZINC001161819849 1028325598 /nfs/dbraw/zinc/32/55/98/1028325598.db2.gz XGCKDXJIQQZWQW-UHFFFAOYSA-N -1 3 357.248 2.977 20 30 FFEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001161826786 1028327528 /nfs/dbraw/zinc/32/75/28/1028327528.db2.gz LSKWLJVGUIKVJU-CYBMUJFWSA-N -1 3 360.501 2.699 20 30 FFEDHM CSc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1C#N ZINC001155244328 1028643820 /nfs/dbraw/zinc/64/38/20/1028643820.db2.gz DGBPTYPRAHWIMQ-UHFFFAOYSA-N -1 3 350.403 2.859 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc3n[nH]cc3s2)c(C)c1[O-] ZINC001155554975 1028789201 /nfs/dbraw/zinc/78/92/01/1028789201.db2.gz ZLQBKHPTQBHIBW-UHFFFAOYSA-N -1 3 370.390 2.939 20 30 FFEDHM COC(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC001164160163 1029188021 /nfs/dbraw/zinc/18/80/21/1029188021.db2.gz APFGMRJWLKOHGB-INIZCTEOSA-N -1 3 358.344 2.551 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782701399 1029789223 /nfs/dbraw/zinc/78/92/23/1029789223.db2.gz VZVDGNYXTKPWSC-LBPRGKRZSA-N -1 3 365.345 2.825 20 30 FFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2cccc(C#N)c2)n1 ZINC000798817502 1031554707 /nfs/dbraw/zinc/55/47/07/1031554707.db2.gz YNCGZBVUPZJKFQ-QGZVFWFLSA-N -1 3 355.357 2.705 20 30 FFEDHM N#Cc1ccc(CNC(=O)c2c[n-]c3ccc(C(F)(F)F)cc3c2=O)cn1 ZINC001150478420 1031723999 /nfs/dbraw/zinc/72/39/99/1031723999.db2.gz ZQWMBEZUGPCIML-UHFFFAOYSA-N -1 3 372.306 2.744 20 30 FFEDHM C#CC1CCN([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)CC1 ZINC000830333747 1033574536 /nfs/dbraw/zinc/57/45/36/1033574536.db2.gz HUMZVWZMGLKZBP-GFCCVEGCSA-N -1 3 373.478 2.876 20 30 FFEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138198655 1033944759 /nfs/dbraw/zinc/94/47/59/1033944759.db2.gz KLMWWAMKXIIQRB-INIZCTEOSA-N -1 3 371.437 2.603 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)[n-]1 ZINC001225467369 1034265437 /nfs/dbraw/zinc/26/54/37/1034265437.db2.gz BQFCYJLTSGUOAQ-IVMMDQJWSA-N -1 3 359.426 2.992 20 30 FFEDHM C[N+](C)(C)C[C@@H](CC#N)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227306436 1035501495 /nfs/dbraw/zinc/50/14/95/1035501495.db2.gz KCOSYOOFNSPKHR-GFCCVEGCSA-O -1 3 369.397 2.725 20 30 FFEDHM CCC(=O)[C@H]1C[C@@H](Oc2cc(C#N)ccc2[O-])CN1C(=O)OC(C)(C)C ZINC001227351870 1035514594 /nfs/dbraw/zinc/51/45/94/1035514594.db2.gz ZOQWVFSJIJXACD-ZIAGYGMSSA-N -1 3 360.410 3.000 20 30 FFEDHM C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262002 1035534341 /nfs/dbraw/zinc/53/43/41/1035534341.db2.gz XCQGXSWVQONRDT-HNNXBMFYSA-N -1 3 363.845 2.787 20 30 FFEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232270828 1035539957 /nfs/dbraw/zinc/53/99/57/1035539957.db2.gz JQMPMWKOWUFBQN-ZDUSSCGKSA-N -1 3 354.834 2.931 20 30 FFEDHM COC(=O)c1cnc(=O)[n-]c1O[C@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001229872036 1036949185 /nfs/dbraw/zinc/94/91/85/1036949185.db2.gz FIXMOIMNMMMLCI-OAHLLOKOSA-N -1 3 356.454 2.970 20 30 FFEDHM CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513161 1037068669 /nfs/dbraw/zinc/06/86/69/1037068669.db2.gz JGEWIOAMNFIEOG-CYBMUJFWSA-N -1 3 368.393 2.761 20 30 FFEDHM C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccccc1OCC(=O)[O-])C2 ZINC001231790109 1037912066 /nfs/dbraw/zinc/91/20/66/1037912066.db2.gz ITCZJBPPWJXZMV-OAQYLSRUSA-N -1 3 372.465 2.683 20 30 FFEDHM C=CCOC(=O)N1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236695914 1038196690 /nfs/dbraw/zinc/19/66/90/1038196690.db2.gz QAQUMZNXAIVGJZ-UHFFFAOYSA-N -1 3 355.232 2.595 20 30 FFEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)nc2Br)c1 ZINC001256863883 1038639020 /nfs/dbraw/zinc/63/90/20/1038639020.db2.gz CTBJPNWPTFVLFW-UHFFFAOYSA-N -1 3 352.213 2.825 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN2Cc2ccc([O-])c(C(F)(F)F)c2)C1=O ZINC001276632451 1038755541 /nfs/dbraw/zinc/75/55/41/1038755541.db2.gz QCOSYRWQXXPGSI-KRWDZBQOSA-N -1 3 352.356 2.611 20 30 FFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)OC)cc2)cc1 ZINC001259325295 1039913480 /nfs/dbraw/zinc/91/34/80/1039913480.db2.gz UMUZTIDMFSHVGZ-UHFFFAOYSA-N -1 3 373.430 2.605 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)Cc2ccccc2C1 ZINC001259515564 1040081348 /nfs/dbraw/zinc/08/13/48/1040081348.db2.gz KOSZMWPUTYVZBR-UHFFFAOYSA-N -1 3 350.802 2.819 20 30 FFEDHM C#C[C@@H]1CCCN(Cc2cc(I)c(OC)cc2[O-])C1 ZINC001248472276 1040292065 /nfs/dbraw/zinc/29/20/65/1040292065.db2.gz VXMDNUTXWSIPHP-LLVKDONJSA-N -1 3 371.218 2.851 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)Nc2ccc([O-])c(Br)c2)cc1 ZINC001260044310 1040374569 /nfs/dbraw/zinc/37/45/69/1040374569.db2.gz NQTKSCKAWWCYCR-UHFFFAOYSA-N -1 3 367.224 2.968 20 30 FFEDHM COc1cc(C(=O)[O-])ccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240735992 1044417515 /nfs/dbraw/zinc/41/75/15/1044417515.db2.gz SIZFWFXSMVEROX-ZDUSSCGKSA-N -1 3 369.377 2.799 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001323272791 1045525787 /nfs/dbraw/zinc/52/57/87/1045525787.db2.gz BBPQNMFPKVNTPJ-UHFFFAOYSA-N -1 3 366.377 2.659 20 30 FFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1nc(Cl)c(C#N)s1 ZINC001323158449 1046365265 /nfs/dbraw/zinc/36/52/65/1046365265.db2.gz JZYMRJNNOCLAIS-UHFFFAOYSA-N -1 3 360.823 2.791 20 30 FFEDHM CC(=O)c1ccc(C#N)cc1NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001325303637 1046458668 /nfs/dbraw/zinc/45/86/68/1046458668.db2.gz UHTZZQPDIJAAKZ-UHFFFAOYSA-N -1 3 361.398 2.884 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC001333712585 1049072705 /nfs/dbraw/zinc/07/27/05/1049072705.db2.gz AHPBZRLCWGLJEE-HNNXBMFYSA-N -1 3 357.454 2.674 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001341755391 1050370976 /nfs/dbraw/zinc/37/09/76/1050370976.db2.gz FHZLIMVBOPOXGF-GFCCVEGCSA-N -1 3 365.869 2.544 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001341755391 1050370984 /nfs/dbraw/zinc/37/09/84/1050370984.db2.gz FHZLIMVBOPOXGF-GFCCVEGCSA-N -1 3 365.869 2.544 20 30 FFEDHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CC[C@@](F)(C#N)C1 ZINC001340010405 1050421576 /nfs/dbraw/zinc/42/15/76/1050421576.db2.gz GHCFXTNIRTVGEN-QGZVFWFLSA-N -1 3 363.824 2.884 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C3CCN(OC)CC3)n2C)c1[O-] ZINC001341823957 1050435586 /nfs/dbraw/zinc/43/55/86/1050435586.db2.gz BQSGYCSQRXWDOX-UHFFFAOYSA-N -1 3 371.485 2.768 20 30 FFEDHM Cc1cc(C)n2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c2n1 ZINC001342522759 1051124896 /nfs/dbraw/zinc/12/48/96/1051124896.db2.gz WTIDUWZHOQGTHK-LBPRGKRZSA-N -1 3 367.796 2.961 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccoc1C ZINC001342523668 1051126424 /nfs/dbraw/zinc/12/64/24/1051126424.db2.gz SRCXTWTUSWGLEB-UHFFFAOYSA-N -1 3 354.414 2.863 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCOC2(CCCCC2)C1 ZINC001342850920 1051457720 /nfs/dbraw/zinc/45/77/20/1051457720.db2.gz AEQWXZNQSBSCMR-UHFFFAOYSA-N -1 3 359.430 2.754 20 30 FFEDHM C=CC[C@H]1N(c2nnc(-c3cnc[n-]c3=O)n2CCOC)CCCC1(C)C ZINC001343038916 1051655421 /nfs/dbraw/zinc/65/54/21/1051655421.db2.gz ZQVUYOZJDKKBNF-OAHLLOKOSA-N -1 3 372.473 2.658 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC[C@@H](COC)C1 ZINC001343315321 1052156265 /nfs/dbraw/zinc/15/62/65/1052156265.db2.gz QDMZRLIMBVWHEE-GFCCVEGCSA-N -1 3 365.869 2.546 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC[C@@H](COC)C1 ZINC001343315321 1052156268 /nfs/dbraw/zinc/15/62/68/1052156268.db2.gz QDMZRLIMBVWHEE-GFCCVEGCSA-N -1 3 365.869 2.546 20 30 FFEDHM COC1(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)CCCCCC1 ZINC001306892717 1052213589 /nfs/dbraw/zinc/21/35/89/1052213589.db2.gz LLNHAOZVQLGENP-UHFFFAOYSA-N -1 3 374.437 2.630 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(CSC)CC1 ZINC001343420939 1052220682 /nfs/dbraw/zinc/22/06/82/1052220682.db2.gz YDGFDBRXRWJOMJ-UHFFFAOYSA-N -1 3 367.910 2.872 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(CSC)CC1 ZINC001343420939 1052220691 /nfs/dbraw/zinc/22/06/91/1052220691.db2.gz YDGFDBRXRWJOMJ-UHFFFAOYSA-N -1 3 367.910 2.872 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc(N)c(Cl)c1)[n-]c2=O ZINC001335500391 1053401684 /nfs/dbraw/zinc/40/16/84/1053401684.db2.gz VKMYXEJHGULBPP-UHFFFAOYSA-N -1 3 359.821 2.969 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C2CCC2)ccc1F ZINC001543566444 1071501173 /nfs/dbraw/zinc/50/11/73/1071501173.db2.gz HFUYFBKNXASVJR-UHFFFAOYSA-N -1 3 368.474 2.846 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)OC2(CCCCC2)C1 ZINC001351789285 1055001413 /nfs/dbraw/zinc/00/14/13/1055001413.db2.gz INFNPINBGAMQMK-ZDUSSCGKSA-N -1 3 359.430 2.753 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001356153094 1055337793 /nfs/dbraw/zinc/33/77/93/1055337793.db2.gz UNCLNYZPYKEPTB-SCLBCKFNSA-N -1 3 367.844 2.681 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001356153094 1055337808 /nfs/dbraw/zinc/33/78/08/1055337808.db2.gz UNCLNYZPYKEPTB-SCLBCKFNSA-N -1 3 367.844 2.681 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001350337988 1055733006 /nfs/dbraw/zinc/73/30/06/1055733006.db2.gz VPPCXFQXSQEGHM-UHFFFAOYSA-N -1 3 366.450 2.689 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001350337988 1055733019 /nfs/dbraw/zinc/73/30/19/1055733019.db2.gz VPPCXFQXSQEGHM-UHFFFAOYSA-N -1 3 366.450 2.689 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001339014180 1056015894 /nfs/dbraw/zinc/01/58/94/1056015894.db2.gz DOOFVWUPIPLHOS-ZFWWWQNUSA-N -1 3 359.430 2.610 20 30 FFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000847605351 1056151547 /nfs/dbraw/zinc/15/15/47/1056151547.db2.gz YZWBUYHNGAVXKC-UHFFFAOYSA-N -1 3 367.365 2.752 20 30 FFEDHM Cc1ccc(-n2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)c(C(C)(C)C)n2)cc1 ZINC000848136290 1059109556 /nfs/dbraw/zinc/10/95/56/1059109556.db2.gz LZJQOELXWMOVRI-MRXNPFEDSA-N -1 3 370.453 2.588 20 30 FFEDHM CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)[N-]c2n[nH]cc2C#N)co1 ZINC001452024140 1059173866 /nfs/dbraw/zinc/17/38/66/1059173866.db2.gz BHWBJWKAXSMQHM-LBPRGKRZSA-N -1 3 372.385 2.594 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCOC2(C1)CCCCCC2 ZINC001520367186 1059640173 /nfs/dbraw/zinc/64/01/73/1059640173.db2.gz ABRLOXUALAQNJJ-UHFFFAOYSA-N -1 3 370.457 2.556 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001515690438 1059749312 /nfs/dbraw/zinc/74/93/12/1059749312.db2.gz JGAXNUZWYOROIK-KDURUIRLSA-N -1 3 371.441 2.612 20 30 FFEDHM CC(C)(C)n1ncc2c1nc(N=NC1CCCN3CCCC[C@@H]13)[n-]c2=O ZINC000848405226 1059948422 /nfs/dbraw/zinc/94/84/22/1059948422.db2.gz DFHACDOEOJKQIT-AWEZNQCLSA-N -1 3 357.462 2.703 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H](CCCCC#N)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000848615615 1060348403 /nfs/dbraw/zinc/34/84/03/1060348403.db2.gz BJQSOPLGJXQXGS-LLVKDONJSA-N -1 3 374.401 2.882 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC(F)(F)C(F)(F)F ZINC001521212830 1060468737 /nfs/dbraw/zinc/46/87/37/1060468737.db2.gz ZUSNFOGHRJRLRQ-UHFFFAOYSA-N -1 3 365.302 2.864 20 30 FFEDHM CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@](F)(C#N)C1 ZINC001521587118 1060992531 /nfs/dbraw/zinc/99/25/31/1060992531.db2.gz FFZBLPUABXTUKI-INIZCTEOSA-N -1 3 358.402 2.722 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CCC1 ZINC001475711189 1061223407 /nfs/dbraw/zinc/22/34/07/1061223407.db2.gz QRSCNKSJMLCBEK-UHFFFAOYSA-N -1 3 352.765 2.978 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(F)cc1 ZINC001463192064 1061982265 /nfs/dbraw/zinc/98/22/65/1061982265.db2.gz AUKZAWMVFBYZDN-OAHLLOKOSA-N -1 3 352.362 2.502 20 30 FFEDHM Cc1c(Br)cccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC001463980188 1062361611 /nfs/dbraw/zinc/36/16/11/1062361611.db2.gz QVEKZIOPBABSKO-UHFFFAOYSA-N -1 3 366.240 2.503 20 30 FFEDHM O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N[C@H]1CCCN([O-])C1=O ZINC001465219861 1063014837 /nfs/dbraw/zinc/01/48/37/1063014837.db2.gz HSLATRUUEAHZNP-AWEZNQCLSA-N -1 3 360.345 2.515 20 30 FFEDHM N#CCCn1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)n1 ZINC001465312567 1063049224 /nfs/dbraw/zinc/04/92/24/1063049224.db2.gz GPYSKJNMHWIGKU-UHFFFAOYSA-N -1 3 363.377 2.734 20 30 FFEDHM COC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)s1 ZINC001469193877 1064106922 /nfs/dbraw/zinc/10/69/22/1064106922.db2.gz HSTZFFBIRRLCAC-UHFFFAOYSA-N -1 3 350.346 2.815 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001575187302 1078114292 /nfs/dbraw/zinc/11/42/92/1078114292.db2.gz ANFUIYMWHPEVGC-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001575187302 1078114294 /nfs/dbraw/zinc/11/42/94/1078114294.db2.gz ANFUIYMWHPEVGC-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001577659349 1078385073 /nfs/dbraw/zinc/38/50/73/1078385073.db2.gz HDDHITNMBLILPD-UHFFFAOYSA-N -1 3 362.397 2.577 20 30 FFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001577659349 1078385078 /nfs/dbraw/zinc/38/50/78/1078385078.db2.gz HDDHITNMBLILPD-UHFFFAOYSA-N -1 3 362.397 2.577 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H]2CCN(c3ccc(F)cc3F)C2)c1[O-] ZINC001551953188 1074874706 /nfs/dbraw/zinc/87/47/06/1074874706.db2.gz ZMHJSXDRXLWWTL-BSWCJJBOSA-N -1 3 361.392 2.812 20 30 FFEDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H](CC#N)c1ccccc1 ZINC001556527790 1075749809 /nfs/dbraw/zinc/74/98/09/1075749809.db2.gz GBYVWLRTIKNOMH-IJEWVQPXSA-N -1 3 366.421 2.564 20 30 FFEDHM N#CCSc1cccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001558189769 1075958406 /nfs/dbraw/zinc/95/84/06/1075958406.db2.gz PMXOLUQRQQPUOJ-UHFFFAOYSA-N -1 3 352.419 2.831 20 30 FFEDHM O=C(CCCc1ccsc1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001559032795 1076117649 /nfs/dbraw/zinc/11/76/49/1076117649.db2.gz IVROUNFICLDGEB-UHFFFAOYSA-N -1 3 372.446 2.975 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001573341156 1077675327 /nfs/dbraw/zinc/67/53/27/1077675327.db2.gz GSODRGGGUSZKRG-UHFFFAOYSA-N -1 3 355.423 2.556 20 30 FFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001573341156 1077675329 /nfs/dbraw/zinc/67/53/29/1077675329.db2.gz GSODRGGGUSZKRG-UHFFFAOYSA-N -1 3 355.423 2.556 20 30 FFEDHM C#CC[C@@H](NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588334275 1079988702 /nfs/dbraw/zinc/98/87/02/1079988702.db2.gz RWPCCHDIMUHBDX-GOSISDBHSA-N -1 3 360.421 2.739 20 30 FFEDHM C#CC[C@@H](NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588334275 1079988709 /nfs/dbraw/zinc/98/87/09/1079988709.db2.gz RWPCCHDIMUHBDX-GOSISDBHSA-N -1 3 360.421 2.739 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001588336784 1079989001 /nfs/dbraw/zinc/98/90/01/1079989001.db2.gz FLDPZVHVCLITCU-SNVBAGLBSA-N -1 3 364.331 2.763 20 30 FFEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001588336784 1079989002 /nfs/dbraw/zinc/98/90/02/1079989002.db2.gz FLDPZVHVCLITCU-SNVBAGLBSA-N -1 3 364.331 2.763 20 30 FFEDHM C#CCCOc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001588347451 1079989908 /nfs/dbraw/zinc/98/99/08/1079989908.db2.gz POBFKMAQRMUFHU-UHFFFAOYSA-N -1 3 352.325 2.627 20 30 FFEDHM C#CCCOc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001588347451 1079989914 /nfs/dbraw/zinc/98/99/14/1079989914.db2.gz POBFKMAQRMUFHU-UHFFFAOYSA-N -1 3 352.325 2.627 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC001588347423 1079990277 /nfs/dbraw/zinc/99/02/77/1079990277.db2.gz OFELMOSNKBUDAC-UHFFFAOYSA-N -1 3 363.377 2.530 20 30 FFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC001588347423 1079990280 /nfs/dbraw/zinc/99/02/80/1079990280.db2.gz OFELMOSNKBUDAC-UHFFFAOYSA-N -1 3 363.377 2.530 20 30 FFEDHM C#CCCCCC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588344108 1079990703 /nfs/dbraw/zinc/99/07/03/1079990703.db2.gz CEPXOQLOVMRCQI-HDJSIYSDSA-N -1 3 370.432 2.506 20 30 FFEDHM C#CCCCCC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588344108 1079990706 /nfs/dbraw/zinc/99/07/06/1079990706.db2.gz CEPXOQLOVMRCQI-HDJSIYSDSA-N -1 3 370.432 2.506 20 30 FFEDHM C#CCCCCCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588344819 1079990982 /nfs/dbraw/zinc/99/09/82/1079990982.db2.gz FOXZQCVHVOVKDD-OKILXGFUSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCCCCCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588344819 1079990987 /nfs/dbraw/zinc/99/09/87/1079990987.db2.gz FOXZQCVHVOVKDD-OKILXGFUSA-N -1 3 370.432 2.649 20 30 FFEDHM C#CCOc1ccc(COC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)cc1 ZINC001588361638 1079994196 /nfs/dbraw/zinc/99/41/96/1079994196.db2.gz DMQIBLCAQVNFIW-UHFFFAOYSA-N -1 3 368.780 2.889 20 30 FFEDHM C#CCOc1ccc(COC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)cc1 ZINC001588361638 1079994199 /nfs/dbraw/zinc/99/41/99/1079994199.db2.gz DMQIBLCAQVNFIW-UHFFFAOYSA-N -1 3 368.780 2.889 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1ccc(-c2nn[n-]n2)cc1COC ZINC001588426116 1080023110 /nfs/dbraw/zinc/02/31/10/1080023110.db2.gz MRLIAKGLCNRXQX-UHFFFAOYSA-N -1 3 369.425 2.681 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)c(OC)c2)SC1=S ZINC001588430787 1080025796 /nfs/dbraw/zinc/02/57/96/1080025796.db2.gz STXZSRKMQREFQG-NTUHNPAUSA-N -1 3 373.463 2.653 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)c(OC)c2)SC1=S ZINC001588430787 1080025807 /nfs/dbraw/zinc/02/58/07/1080025807.db2.gz STXZSRKMQREFQG-NTUHNPAUSA-N -1 3 373.463 2.653 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588475434 1080042676 /nfs/dbraw/zinc/04/26/76/1080042676.db2.gz ODJITCJTNLFRCX-KGLIPLIRSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588475434 1080042686 /nfs/dbraw/zinc/04/26/86/1080042686.db2.gz ODJITCJTNLFRCX-KGLIPLIRSA-N -1 3 369.473 2.622 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588490942 1080052704 /nfs/dbraw/zinc/05/27/04/1080052704.db2.gz BOCMTQWJWQUSFK-LIRRHRJNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588490942 1080052713 /nfs/dbraw/zinc/05/27/13/1080052713.db2.gz BOCMTQWJWQUSFK-LIRRHRJNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588492582 1080053601 /nfs/dbraw/zinc/05/36/01/1080053601.db2.gz UMHHOKPOXPJURA-RTBURBONSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588492582 1080053607 /nfs/dbraw/zinc/05/36/07/1080053607.db2.gz UMHHOKPOXPJURA-RTBURBONSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588492312 1080054320 /nfs/dbraw/zinc/05/43/20/1080054320.db2.gz QUXWOWJIDBQWKI-LJQANCHMSA-N -1 3 355.442 2.839 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588492312 1080054330 /nfs/dbraw/zinc/05/43/30/1080054330.db2.gz QUXWOWJIDBQWKI-LJQANCHMSA-N -1 3 355.442 2.839 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588492311 1080055037 /nfs/dbraw/zinc/05/50/37/1080055037.db2.gz QUXWOWJIDBQWKI-IBGZPJMESA-N -1 3 355.442 2.839 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588492311 1080055046 /nfs/dbraw/zinc/05/50/46/1080055046.db2.gz QUXWOWJIDBQWKI-IBGZPJMESA-N -1 3 355.442 2.839 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588494341 1080057474 /nfs/dbraw/zinc/05/74/74/1080057474.db2.gz RPBBBHFUKHWCGR-KRWDZBQOSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588494341 1080057481 /nfs/dbraw/zinc/05/74/81/1080057481.db2.gz RPBBBHFUKHWCGR-KRWDZBQOSA-N -1 3 358.421 2.669 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588494569 1080058485 /nfs/dbraw/zinc/05/84/85/1080058485.db2.gz UVVGJYQRPQKUFL-BFUOFWGJSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588494569 1080058493 /nfs/dbraw/zinc/05/84/93/1080058493.db2.gz UVVGJYQRPQKUFL-BFUOFWGJSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588500095 1080061024 /nfs/dbraw/zinc/06/10/24/1080061024.db2.gz QPCHKKFWQIOSMY-INIZCTEOSA-N -1 3 350.806 2.792 20 30 FFEDHM C=C[C@@](C)(CCOC)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588500095 1080061030 /nfs/dbraw/zinc/06/10/30/1080061030.db2.gz QPCHKKFWQIOSMY-INIZCTEOSA-N -1 3 350.806 2.792 20 30 FFEDHM C=C[C@@H](C)ONC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588519441 1080071442 /nfs/dbraw/zinc/07/14/42/1080071442.db2.gz ZHRPRFZPCLPGMX-GFCCVEGCSA-N -1 3 350.382 2.846 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588519183 1080071711 /nfs/dbraw/zinc/07/17/11/1080071711.db2.gz UYISHPQMJFDVJU-KUHUBIRLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588519183 1080071720 /nfs/dbraw/zinc/07/17/20/1080071720.db2.gz UYISHPQMJFDVJU-KUHUBIRLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588520756 1080072473 /nfs/dbraw/zinc/07/24/73/1080072473.db2.gz DJGWXUXEPNVBSA-GJZGRUSLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588520756 1080072481 /nfs/dbraw/zinc/07/24/81/1080072481.db2.gz DJGWXUXEPNVBSA-GJZGRUSLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588520838 1080072889 /nfs/dbraw/zinc/07/28/89/1080072889.db2.gz FZICJSGLXIJRBP-ZIAGYGMSSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588521464 1080073833 /nfs/dbraw/zinc/07/38/33/1080073833.db2.gz NTUGPESFXMQQOO-GJZGRUSLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588521464 1080073839 /nfs/dbraw/zinc/07/38/39/1080073839.db2.gz NTUGPESFXMQQOO-GJZGRUSLSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588520755 1080073879 /nfs/dbraw/zinc/07/38/79/1080073879.db2.gz DJGWXUXEPNVBSA-CABCVRRESA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588520755 1080073888 /nfs/dbraw/zinc/07/38/88/1080073888.db2.gz DJGWXUXEPNVBSA-CABCVRRESA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588525217 1080078792 /nfs/dbraw/zinc/07/87/92/1080078792.db2.gz WXGAPIPJAYVSEA-UONOGXRCSA-N -1 3 372.448 2.551 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588525217 1080078800 /nfs/dbraw/zinc/07/88/00/1080078800.db2.gz WXGAPIPJAYVSEA-UONOGXRCSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC[C@@H](C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588529547 1080079777 /nfs/dbraw/zinc/07/97/77/1080079777.db2.gz BWADDOGHSBKXNR-RBUKOAKNSA-N -1 3 359.433 2.810 20 30 FFEDHM C=CC[C@@H](C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588529547 1080079786 /nfs/dbraw/zinc/07/97/86/1080079786.db2.gz BWADDOGHSBKXNR-RBUKOAKNSA-N -1 3 359.433 2.810 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588538362 1080085555 /nfs/dbraw/zinc/08/55/55/1080085555.db2.gz NYZHLLUIXVVEKB-HUUCEWRRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588538362 1080085565 /nfs/dbraw/zinc/08/55/65/1080085565.db2.gz NYZHLLUIXVVEKB-HUUCEWRRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC(C)(C)C(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588538067 1080085919 /nfs/dbraw/zinc/08/59/19/1080085919.db2.gz HIIVEKYYCDHQHD-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(C)(C)C(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588538067 1080085927 /nfs/dbraw/zinc/08/59/27/1080085927.db2.gz HIIVEKYYCDHQHD-OAHLLOKOSA-N -1 3 371.489 2.807 20 30 FFEDHM C=CCC(F)(F)C(=O)OCc1cc(-c2nnn[n-]2)ccc1Br ZINC001588546018 1080089539 /nfs/dbraw/zinc/08/95/39/1080089539.db2.gz UVQRWQSHPPFCNI-UHFFFAOYSA-N -1 3 373.157 2.884 20 30 FFEDHM C=CCC(F)(F)C(=O)OCc1cc(-c2nn[n-]n2)ccc1Br ZINC001588546018 1080089548 /nfs/dbraw/zinc/08/95/48/1080089548.db2.gz UVQRWQSHPPFCNI-UHFFFAOYSA-N -1 3 373.157 2.884 20 30 FFEDHM C=CCCC(=O)N1CCC(CN(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588562248 1080098392 /nfs/dbraw/zinc/09/83/92/1080098392.db2.gz KRTLTXJNQZDIER-UHFFFAOYSA-N -1 3 372.448 2.647 20 30 FFEDHM C=CCCC(=O)N1CCC(CN(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588562248 1080098402 /nfs/dbraw/zinc/09/84/02/1080098402.db2.gz KRTLTXJNQZDIER-UHFFFAOYSA-N -1 3 372.448 2.647 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588561330 1080099110 /nfs/dbraw/zinc/09/91/10/1080099110.db2.gz ZSUNYQIBPBCKOG-MAUKXSAKSA-N -1 3 366.469 2.650 20 30 FFEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001588564550 1080099518 /nfs/dbraw/zinc/09/95/18/1080099518.db2.gz NZSCJIWFRYYDEB-HNNXBMFYSA-N -1 3 353.426 2.623 20 30 FFEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001588564550 1080099528 /nfs/dbraw/zinc/09/95/28/1080099528.db2.gz NZSCJIWFRYYDEB-HNNXBMFYSA-N -1 3 353.426 2.623 20 30 FFEDHM C=CCCC(=O)N[C@H]1CC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001588575879 1080104942 /nfs/dbraw/zinc/10/49/42/1080104942.db2.gz AQTVDTCBWSAMTN-SHTZXODSSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCCC(=O)N[C@H]1CC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001588575879 1080104945 /nfs/dbraw/zinc/10/49/45/1080104945.db2.gz AQTVDTCBWSAMTN-SHTZXODSSA-N -1 3 369.473 2.623 20 30 FFEDHM C=CCC[C@H](CO)NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588577931 1080106062 /nfs/dbraw/zinc/10/60/62/1080106062.db2.gz RHJADDXWMQZRES-SNVBAGLBSA-N -1 3 364.475 2.674 20 30 FFEDHM C=CCC[C@H](CO)NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588577931 1080106064 /nfs/dbraw/zinc/10/60/64/1080106064.db2.gz RHJADDXWMQZRES-SNVBAGLBSA-N -1 3 364.475 2.674 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)CC1 ZINC001588585703 1080109873 /nfs/dbraw/zinc/10/98/73/1080109873.db2.gz VWSMNFBJGWCORS-SFHVURJKSA-N -1 3 359.470 2.851 20 30 FFEDHM C=CCCCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001588587543 1080111123 /nfs/dbraw/zinc/11/11/23/1080111123.db2.gz XOZSMOPJHKSNNK-INIZCTEOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001588587543 1080111127 /nfs/dbraw/zinc/11/11/27/1080111127.db2.gz XOZSMOPJHKSNNK-INIZCTEOSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588596801 1080117060 /nfs/dbraw/zinc/11/70/60/1080117060.db2.gz ZQHNQIKQVHHRQW-QGZVFWFLSA-N -1 3 354.458 2.698 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588635865 1080130762 /nfs/dbraw/zinc/13/07/62/1080130762.db2.gz ZKOLUXWTCJXDPP-UHFFFAOYSA-N -1 3 357.801 2.984 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588635865 1080130769 /nfs/dbraw/zinc/13/07/69/1080130769.db2.gz ZKOLUXWTCJXDPP-UHFFFAOYSA-N -1 3 357.801 2.984 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001588640152 1080133801 /nfs/dbraw/zinc/13/38/01/1080133801.db2.gz MVUBRWWCXUPSIB-ZWKOTPCHSA-N -1 3 367.453 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001588640152 1080133806 /nfs/dbraw/zinc/13/38/06/1080133806.db2.gz MVUBRWWCXUPSIB-ZWKOTPCHSA-N -1 3 367.453 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](OC)[C@@H](C)CC ZINC001588642132 1080135661 /nfs/dbraw/zinc/13/56/61/1080135661.db2.gz UTSSZYHWAPEEOH-WMLDXEAASA-N -1 3 372.473 2.625 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](OC)[C@@H](C)CC ZINC001588642132 1080135664 /nfs/dbraw/zinc/13/56/64/1080135664.db2.gz UTSSZYHWAPEEOH-WMLDXEAASA-N -1 3 372.473 2.625 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001588649120 1080139859 /nfs/dbraw/zinc/13/98/59/1080139859.db2.gz IHJDNDDXRZVIPT-JKSUJKDBSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001588649120 1080139862 /nfs/dbraw/zinc/13/98/62/1080139862.db2.gz IHJDNDDXRZVIPT-JKSUJKDBSA-N -1 3 358.421 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)n(C(C)C)n1 ZINC001588649627 1080140076 /nfs/dbraw/zinc/14/00/76/1080140076.db2.gz WEMZPQBOCSYACX-UHFFFAOYSA-N -1 3 365.441 2.781 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)n(C(C)C)n1 ZINC001588649627 1080140080 /nfs/dbraw/zinc/14/00/80/1080140080.db2.gz WEMZPQBOCSYACX-UHFFFAOYSA-N -1 3 365.441 2.781 20 30 FFEDHM C=CCO[C@H]1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588666100 1080146744 /nfs/dbraw/zinc/14/67/44/1080146744.db2.gz ZXBMGZZGIOTWRT-JTQLQIEISA-N -1 3 368.224 2.591 20 30 FFEDHM C=CCO[C@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588666100 1080146752 /nfs/dbraw/zinc/14/67/52/1080146752.db2.gz ZXBMGZZGIOTWRT-JTQLQIEISA-N -1 3 368.224 2.591 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588694753 1080159929 /nfs/dbraw/zinc/15/99/29/1080159929.db2.gz MDMSOSJVBRBZDM-UHFFFAOYSA-N -1 3 354.341 2.962 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588694753 1080159933 /nfs/dbraw/zinc/15/99/33/1080159933.db2.gz MDMSOSJVBRBZDM-UHFFFAOYSA-N -1 3 354.341 2.962 20 30 FFEDHM C=CCn1c(C(C)C)nnc1N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588704824 1080161879 /nfs/dbraw/zinc/16/18/79/1080161879.db2.gz PMMNBYLIKLCXOI-CYBMUJFWSA-N -1 3 352.446 2.965 20 30 FFEDHM C=CCn1c(C(C)C)nnc1N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588704824 1080161883 /nfs/dbraw/zinc/16/18/83/1080161883.db2.gz PMMNBYLIKLCXOI-CYBMUJFWSA-N -1 3 352.446 2.965 20 30 FFEDHM CC#CCCCC(=O)NC[C@@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588740493 1080177267 /nfs/dbraw/zinc/17/72/67/1080177267.db2.gz PNEJIJBFWHGPOQ-CYBMUJFWSA-N -1 3 358.421 2.506 20 30 FFEDHM CC#CCCCC(=O)NC[C@@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588740493 1080177274 /nfs/dbraw/zinc/17/72/74/1080177274.db2.gz PNEJIJBFWHGPOQ-CYBMUJFWSA-N -1 3 358.421 2.506 20 30 FFEDHM CC#CCN(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001588747581 1080180263 /nfs/dbraw/zinc/18/02/63/1080180263.db2.gz MZMLMBGUWVGCQD-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CC#CCN(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001588747581 1080180267 /nfs/dbraw/zinc/18/02/67/1080180267.db2.gz MZMLMBGUWVGCQD-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM CC(C)(C#N)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC001589033799 1080316476 /nfs/dbraw/zinc/31/64/76/1080316476.db2.gz KINVYIOMARIPRZ-UHFFFAOYSA-N -1 3 364.203 2.612 20 30 FFEDHM CC(C)(C#N)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC001589033799 1080316480 /nfs/dbraw/zinc/31/64/80/1080316480.db2.gz KINVYIOMARIPRZ-UHFFFAOYSA-N -1 3 364.203 2.612 20 30 FFEDHM CC(C)(C(=O)OCc1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589061747 1080333502 /nfs/dbraw/zinc/33/35/02/1080333502.db2.gz JPVDMUMFEDXGPC-UHFFFAOYSA-N -1 3 361.405 2.954 20 30 FFEDHM CC(C)(C(=O)OCc1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589061747 1080333509 /nfs/dbraw/zinc/33/35/09/1080333509.db2.gz JPVDMUMFEDXGPC-UHFFFAOYSA-N -1 3 361.405 2.954 20 30 FFEDHM CC(C)CSCCCOC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589653558 1080652229 /nfs/dbraw/zinc/65/22/29/1080652229.db2.gz XNPFMFZDOCSDKG-INIZCTEOSA-N -1 3 373.482 2.871 20 30 FFEDHM CC(C)CSCCCOC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589653558 1080652232 /nfs/dbraw/zinc/65/22/32/1080652232.db2.gz XNPFMFZDOCSDKG-INIZCTEOSA-N -1 3 373.482 2.871 20 30 FFEDHM C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001589794361 1080746917 /nfs/dbraw/zinc/74/69/17/1080746917.db2.gz AMFZRRPDOODJAA-CJNGLKHVSA-N -1 3 368.441 2.707 20 30 FFEDHM C[C@@H](CO)CCCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589882963 1080830129 /nfs/dbraw/zinc/83/01/29/1080830129.db2.gz VMZWBVWQWBGPNJ-CYBMUJFWSA-N -1 3 369.473 2.613 20 30 FFEDHM C[C@@H](CO)CCCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589882963 1080830133 /nfs/dbraw/zinc/83/01/33/1080830133.db2.gz VMZWBVWQWBGPNJ-CYBMUJFWSA-N -1 3 369.473 2.613 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2c1cccc2C#N ZINC001589894745 1080841251 /nfs/dbraw/zinc/84/12/51/1080841251.db2.gz QJKOEDNBHGOUFB-CYBMUJFWSA-N -1 3 358.405 2.506 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2c1cccc2C#N ZINC001589894745 1080841256 /nfs/dbraw/zinc/84/12/56/1080841256.db2.gz QJKOEDNBHGOUFB-CYBMUJFWSA-N -1 3 358.405 2.506 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1cccc(C#N)c1 ZINC001589931474 1080874212 /nfs/dbraw/zinc/87/42/12/1080874212.db2.gz MICSVRQTNTXLNN-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1cccc(C#N)c1 ZINC001589931474 1080874215 /nfs/dbraw/zinc/87/42/15/1080874215.db2.gz MICSVRQTNTXLNN-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1cccc(-c2nnn[n-]2)c1 ZINC001589941775 1080885415 /nfs/dbraw/zinc/88/54/15/1080885415.db2.gz XHTCBTDDWWRPMN-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1cccc(-c2nn[n-]n2)c1 ZINC001589941775 1080885419 /nfs/dbraw/zinc/88/54/19/1080885419.db2.gz XHTCBTDDWWRPMN-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@H](ON=C(N)c1nccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC001590020603 1080946234 /nfs/dbraw/zinc/94/62/34/1080946234.db2.gz NKTCFNSQEPVCMO-LBPRGKRZSA-N -1 3 359.393 2.813 20 30 FFEDHM C[C@H](ON=C(N)c1nccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC001590020603 1080946239 /nfs/dbraw/zinc/94/62/39/1080946239.db2.gz NKTCFNSQEPVCMO-LBPRGKRZSA-N -1 3 359.393 2.813 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ncc(C#N)cc1Cl ZINC001590043851 1080970550 /nfs/dbraw/zinc/97/05/50/1080970550.db2.gz QLHNZYZSOYTUSG-SNVBAGLBSA-N -1 3 367.800 2.620 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ncc(C#N)cc1Cl ZINC001590043851 1080970555 /nfs/dbraw/zinc/97/05/55/1080970555.db2.gz QLHNZYZSOYTUSG-SNVBAGLBSA-N -1 3 367.800 2.620 20 30 FFEDHM CC1(C)CCC(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590089934 1081001996 /nfs/dbraw/zinc/00/19/96/1081001996.db2.gz BPLNDTACEBDLTM-HNNXBMFYSA-N -1 3 352.442 2.634 20 30 FFEDHM C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001590215686 1081097663 /nfs/dbraw/zinc/09/76/63/1081097663.db2.gz WIILLSDRADISAR-OASPWFOLSA-N -1 3 350.407 2.822 20 30 FFEDHM C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001590215686 1081097668 /nfs/dbraw/zinc/09/76/68/1081097668.db2.gz WIILLSDRADISAR-OASPWFOLSA-N -1 3 350.407 2.822 20 30 FFEDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)on1 ZINC000104713385 250184073 /nfs/dbraw/zinc/18/40/73/250184073.db2.gz RPSXOLRDWUGZMB-CQSZACIVSA-N -1 3 354.410 2.725 20 30 FFEDHM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000071845315 221382878 /nfs/dbraw/zinc/38/28/78/221382878.db2.gz UATUAVFYIQMMMB-LBPRGKRZSA-N -1 3 369.347 2.795 20 30 FFEDHM CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000071845315 221382881 /nfs/dbraw/zinc/38/28/81/221382881.db2.gz UATUAVFYIQMMMB-LBPRGKRZSA-N -1 3 369.347 2.795 20 30 FFEDHM COC(=O)[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000330489419 258164674 /nfs/dbraw/zinc/16/46/74/258164674.db2.gz KQIMAPYRTCRTOW-LRDDRELGSA-N -1 3 370.858 2.612 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000330764217 258169933 /nfs/dbraw/zinc/16/99/33/258169933.db2.gz RHBCWDSKQCMVJG-ZFWWWQNUSA-N -1 3 356.875 2.821 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000330764209 258170115 /nfs/dbraw/zinc/17/01/15/258170115.db2.gz RHBCWDSKQCMVJG-DZGCQCFKSA-N -1 3 356.875 2.821 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000410119809 512207015 /nfs/dbraw/zinc/20/70/15/512207015.db2.gz KCZCWYBYTNECOC-CYBMUJFWSA-N -1 3 370.453 2.869 20 30 FFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)cc1 ZINC000377402507 512253319 /nfs/dbraw/zinc/25/33/19/512253319.db2.gz UQLFWFLBBVAUNG-UHFFFAOYSA-N -1 3 370.459 2.696 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1ccccc1F ZINC000054166663 506504363 /nfs/dbraw/zinc/50/43/63/506504363.db2.gz IIMQPJOKCFXWEL-LBPRGKRZSA-N -1 3 355.413 2.683 20 30 FFEDHM C[C@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)NC(=O)C1CCCCC1 ZINC000066629232 506585647 /nfs/dbraw/zinc/58/56/47/506585647.db2.gz HQTHIKYJGXVLBM-GFCCVEGCSA-N -1 3 356.430 2.930 20 30 FFEDHM C[C@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)NC(=O)C1CCCCC1 ZINC000066629232 506585649 /nfs/dbraw/zinc/58/56/49/506585649.db2.gz HQTHIKYJGXVLBM-GFCCVEGCSA-N -1 3 356.430 2.930 20 30 FFEDHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)NC(=O)C1CCCCC1 ZINC000066629232 506585651 /nfs/dbraw/zinc/58/56/51/506585651.db2.gz HQTHIKYJGXVLBM-GFCCVEGCSA-N -1 3 356.430 2.930 20 30 FFEDHM CC1CCC(N2C[C@H](C(=O)Nc3nnc(C(F)(F)F)[n-]3)CC2=O)CC1 ZINC000066827419 506654823 /nfs/dbraw/zinc/65/48/23/506654823.db2.gz PKLUQOHBKCFYSG-HWOCKDDLSA-N -1 3 359.352 2.839 20 30 FFEDHM CC1CCC(N2C[C@H](C(=O)Nc3nc(C(F)(F)F)n[n-]3)CC2=O)CC1 ZINC000066827419 506654829 /nfs/dbraw/zinc/65/48/29/506654829.db2.gz PKLUQOHBKCFYSG-HWOCKDDLSA-N -1 3 359.352 2.839 20 30 FFEDHM CCc1c(C)sc([N-]C(=O)c2c(C)oc3ncn(C)c(=O)c32)c1C#N ZINC000068677780 507297578 /nfs/dbraw/zinc/29/75/78/507297578.db2.gz NJHOWAPSLDPBFZ-UHFFFAOYSA-N -1 3 356.407 2.891 20 30 FFEDHM Cc1nnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c(C#N)c1C ZINC000024055063 507388592 /nfs/dbraw/zinc/38/85/92/507388592.db2.gz RQKGKHDNACQJSW-UHFFFAOYSA-N -1 3 351.410 2.526 20 30 FFEDHM CN(Cc1ccc(C#N)cc1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000060467937 507548584 /nfs/dbraw/zinc/54/85/84/507548584.db2.gz PWNZZCDRDIJPOF-UHFFFAOYSA-N -1 3 370.416 2.612 20 30 FFEDHM CC[N-]C(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1cccc([O-])c1 ZINC000063440141 507730497 /nfs/dbraw/zinc/73/04/97/507730497.db2.gz LZBUKPBYGWFFAS-UHFFFAOYSA-O -1 3 374.486 2.630 20 30 FFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063466236 507733671 /nfs/dbraw/zinc/73/36/71/507733671.db2.gz CZXQHYUGRUTTNA-UHFFFAOYSA-N -1 3 365.309 2.795 20 30 FFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063466236 507733676 /nfs/dbraw/zinc/73/36/76/507733676.db2.gz CZXQHYUGRUTTNA-UHFFFAOYSA-N -1 3 365.309 2.795 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063466236 507733679 /nfs/dbraw/zinc/73/36/79/507733679.db2.gz CZXQHYUGRUTTNA-UHFFFAOYSA-N -1 3 365.309 2.795 20 30 FFEDHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000063878453 507778332 /nfs/dbraw/zinc/77/83/32/507778332.db2.gz GACMQVIPTUFYMW-UHFFFAOYSA-N -1 3 374.418 2.609 20 30 FFEDHM COC(=O)Nc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000051881390 507788732 /nfs/dbraw/zinc/78/87/32/507788732.db2.gz ZQQBPWUDBFNTPD-UHFFFAOYSA-N -1 3 369.377 2.580 20 30 FFEDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000107310199 507843286 /nfs/dbraw/zinc/84/32/86/507843286.db2.gz GZBCTYNTAOAGJC-UHFFFAOYSA-N -1 3 373.356 2.703 20 30 FFEDHM C=CCOc1ccccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000091811076 508015089 /nfs/dbraw/zinc/01/50/89/508015089.db2.gz PZCXIUIRMPPDIL-UHFFFAOYSA-N -1 3 352.434 2.915 20 30 FFEDHM C=CCOc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000091923208 508024988 /nfs/dbraw/zinc/02/49/88/508024988.db2.gz GRABGPUVEJBTBM-UHFFFAOYSA-N -1 3 352.434 2.915 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1cccs1 ZINC000074649329 508042334 /nfs/dbraw/zinc/04/23/34/508042334.db2.gz AWSWJWQXRMYMBG-UHFFFAOYSA-N -1 3 357.479 2.952 20 30 FFEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3c([O-])cccc3O)C2)c(F)c1 ZINC000092121579 508045227 /nfs/dbraw/zinc/04/52/27/508045227.db2.gz ZOAKQOKHVQPNNC-ZDUSSCGKSA-N -1 3 355.369 2.507 20 30 FFEDHM CCc1c(C)sc([N-]C(=O)c2cn(Cc3ccccn3)nn2)c1C#N ZINC000074729438 508049930 /nfs/dbraw/zinc/04/99/30/508049930.db2.gz CIGSPMQGZAHXDF-UHFFFAOYSA-N -1 3 352.423 2.778 20 30 FFEDHM N#CCN1CCC(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000081733424 508207817 /nfs/dbraw/zinc/20/78/17/508207817.db2.gz MFSIGANNOVEYOU-UHFFFAOYSA-N -1 3 363.461 2.948 20 30 FFEDHM Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c([O-])c1C ZINC000101675199 508253990 /nfs/dbraw/zinc/25/39/90/508253990.db2.gz HRZQPZSQKKTQGF-UHFFFAOYSA-N -1 3 353.397 2.982 20 30 FFEDHM COc1ccc(-c2nc([N-]C(=O)c3cc(C#N)cs3)n[nH]2)c(OC)c1 ZINC000084090002 508265706 /nfs/dbraw/zinc/26/57/06/508265706.db2.gz BNVBQLCFADGMAT-UHFFFAOYSA-N -1 3 355.379 2.674 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000076946992 508265746 /nfs/dbraw/zinc/26/57/46/508265746.db2.gz HULLEPSRFXTYKE-LLVKDONJSA-N -1 3 353.304 2.737 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000076946992 508265748 /nfs/dbraw/zinc/26/57/48/508265748.db2.gz HULLEPSRFXTYKE-LLVKDONJSA-N -1 3 353.304 2.737 20 30 FFEDHM COc1cc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1OC ZINC000114674142 508336165 /nfs/dbraw/zinc/33/61/65/508336165.db2.gz QVJWCJQVPMBPKJ-UHFFFAOYSA-N -1 3 350.371 2.824 20 30 FFEDHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000152345805 508428656 /nfs/dbraw/zinc/42/86/56/508428656.db2.gz UFJWGRQEYHIHHT-JTQLQIEISA-N -1 3 352.412 2.699 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)Nc1ccccc1 ZINC000157492499 508574081 /nfs/dbraw/zinc/57/40/81/508574081.db2.gz ZVFPYZZLTRVZMY-NSHDSACASA-N -1 3 363.826 2.517 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC(=O)Nc1ccccc1 ZINC000157547298 508580156 /nfs/dbraw/zinc/58/01/56/508580156.db2.gz CUQMIIIMAWJIGY-UHFFFAOYSA-N -1 3 363.826 2.519 20 30 FFEDHM COc1ccc([C@H](C#N)N2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000123516711 508699122 /nfs/dbraw/zinc/69/91/22/508699122.db2.gz IZSLRTWYXHNDSP-IBGZPJMESA-N -1 3 365.433 2.732 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)c(C(F)(F)F)c1 ZINC000158469273 508708300 /nfs/dbraw/zinc/70/83/00/508708300.db2.gz YEHLPCKKDBAPCD-AWEZNQCLSA-N -1 3 370.352 2.589 20 30 FFEDHM C=CCOc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000130935608 508867915 /nfs/dbraw/zinc/86/79/15/508867915.db2.gz MIIWTNWTAWTRAO-UHFFFAOYSA-N -1 3 352.434 2.915 20 30 FFEDHM Cc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1CCC(C)C ZINC000154851739 508869078 /nfs/dbraw/zinc/86/90/78/508869078.db2.gz AVBPDQLQQZXRMG-UHFFFAOYSA-N -1 3 369.469 2.986 20 30 FFEDHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000124726763 508875924 /nfs/dbraw/zinc/87/59/24/508875924.db2.gz VWVSDTQATWRWGS-CZUORRHYSA-N -1 3 362.426 2.530 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1OC ZINC000119894825 508884847 /nfs/dbraw/zinc/88/48/47/508884847.db2.gz RJHSFSOQKARKHW-UHFFFAOYSA-N -1 3 353.382 2.636 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1OC ZINC000119894825 508884851 /nfs/dbraw/zinc/88/48/51/508884851.db2.gz RJHSFSOQKARKHW-UHFFFAOYSA-N -1 3 353.382 2.636 20 30 FFEDHM Cc1csc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000155099031 508922459 /nfs/dbraw/zinc/92/24/59/508922459.db2.gz CCEXPBYIXCMSJO-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM C=CCC(CC=C)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000160865142 509041180 /nfs/dbraw/zinc/04/11/80/509041180.db2.gz ZRHVOXCGTRQKEW-UHFFFAOYSA-N -1 3 350.440 2.639 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)cn1 ZINC000367306302 512435230 /nfs/dbraw/zinc/43/52/30/512435230.db2.gz WEDIUWVGBUSFLB-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000156301118 509157433 /nfs/dbraw/zinc/15/74/33/509157433.db2.gz VFUMFWZKFWSFPN-CYBMUJFWSA-N -1 3 367.449 2.639 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2ccc(Cl)cc21 ZINC000172685255 509181245 /nfs/dbraw/zinc/18/12/45/509181245.db2.gz KYDHDALZTWWVJT-UHFFFAOYSA-N -1 3 371.824 2.875 20 30 FFEDHM C=CC[C@H](C(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000188740064 509239213 /nfs/dbraw/zinc/23/92/13/509239213.db2.gz FDNBTEDWNNEARH-HNNXBMFYSA-N -1 3 364.492 2.503 20 30 FFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)cc1CN(C)C ZINC000185619106 509269066 /nfs/dbraw/zinc/26/90/66/509269066.db2.gz UMSUBNCYTCAOPS-UHFFFAOYSA-N -1 3 359.451 2.738 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163320701 509363600 /nfs/dbraw/zinc/36/36/00/509363600.db2.gz DBILTZAXYLVZQH-IAGOWNOFSA-N -1 3 360.410 2.896 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(CC#N)C2CCCC2)c1 ZINC000179509583 509487524 /nfs/dbraw/zinc/48/75/24/509487524.db2.gz POJMBDZDAJHLTG-UHFFFAOYSA-N -1 3 368.393 2.849 20 30 FFEDHM CN(CCC#N)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182912216 509492400 /nfs/dbraw/zinc/49/24/00/509492400.db2.gz RWMLFZNBGLBYHQ-SFHVURJKSA-N -1 3 351.406 2.625 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cccs1 ZINC000186056504 509503403 /nfs/dbraw/zinc/50/34/03/509503403.db2.gz AVEHJMMISBQDJA-ZDUSSCGKSA-N -1 3 369.899 2.854 20 30 FFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c1 ZINC000173744192 509750884 /nfs/dbraw/zinc/75/08/84/509750884.db2.gz YMSMIRMSCWGVHF-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM CCc1nn(C)c(CC)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180209176 509812796 /nfs/dbraw/zinc/81/27/96/509812796.db2.gz CZWRBGWUDDJDJJ-UHFFFAOYSA-N -1 3 366.874 2.548 20 30 FFEDHM CN(CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000183533175 509844548 /nfs/dbraw/zinc/84/45/48/509844548.db2.gz HMCSMTZKCLDLNO-UHFFFAOYSA-N -1 3 363.870 2.622 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]C[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000183669765 509916649 /nfs/dbraw/zinc/91/66/49/509916649.db2.gz BFNUVTJXOZUWKQ-SFHVURJKSA-N -1 3 356.447 2.610 20 30 FFEDHM N#C[C@H](c1ccccc1)N1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000180719420 510071306 /nfs/dbraw/zinc/07/13/06/510071306.db2.gz QJKHRGLBXDTIJV-LJQANCHMSA-N -1 3 369.852 2.997 20 30 FFEDHM C[C@@](O)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCCC1 ZINC000190377088 510096497 /nfs/dbraw/zinc/09/64/97/510096497.db2.gz LUTQCQSJNDFCMW-MRXNPFEDSA-N -1 3 356.875 2.821 20 30 FFEDHM COc1cccc(F)c1[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000174493862 510141336 /nfs/dbraw/zinc/14/13/36/510141336.db2.gz CKPRVQIAZSKYBI-CYBMUJFWSA-N -1 3 371.412 2.821 20 30 FFEDHM N#Cc1cc(Cl)ccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000187265188 510158394 /nfs/dbraw/zinc/15/83/94/510158394.db2.gz SVZNPMQSOBFMFH-UHFFFAOYSA-N -1 3 355.825 2.875 20 30 FFEDHM COc1cc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000184167586 510171015 /nfs/dbraw/zinc/17/10/15/510171015.db2.gz JQGQJQKDAYKALJ-UHFFFAOYSA-N -1 3 357.385 2.891 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCCCC#N ZINC000190623336 510245662 /nfs/dbraw/zinc/24/56/62/510245662.db2.gz SITPVNHLRTXMJC-LBPRGKRZSA-N -1 3 360.863 2.726 20 30 FFEDHM N#Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c[nH]1 ZINC000181226878 510311748 /nfs/dbraw/zinc/31/17/48/510311748.db2.gz HSDDPEOKAGLACR-UHFFFAOYSA-N -1 3 372.812 2.736 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1 ZINC000191091802 510500198 /nfs/dbraw/zinc/50/01/98/510500198.db2.gz SONZOSMKLIAULD-GFCCVEGCSA-N -1 3 356.469 2.594 20 30 FFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000175168292 510514923 /nfs/dbraw/zinc/51/49/23/510514923.db2.gz UYWVKUJXUHEMPK-SSDOTTSWSA-N -1 3 371.178 2.906 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000178497867 510630679 /nfs/dbraw/zinc/63/06/79/510630679.db2.gz SRIDTALTEDRKJL-UHFFFAOYSA-N -1 3 356.325 2.777 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)c(Cl)c1 ZINC000185148696 510714226 /nfs/dbraw/zinc/71/42/26/510714226.db2.gz RUVQQJXYVNCNPG-GOSISDBHSA-N -1 3 371.849 2.941 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c1 ZINC000185186070 510736261 /nfs/dbraw/zinc/73/62/61/510736261.db2.gz FMHTYVOPCJFLBZ-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM C=CCC1(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CCC1 ZINC000191604474 510747096 /nfs/dbraw/zinc/74/70/96/510747096.db2.gz LIQVAGCADJYQHA-UHFFFAOYSA-N -1 3 368.524 2.764 20 30 FFEDHM CC(C)(C)c1cc([N-]C(=O)c2cn(CC3(C)COC3)nn2)c(C#N)s1 ZINC000185256220 510775240 /nfs/dbraw/zinc/77/52/40/510775240.db2.gz AYQXFMDPVGCMMX-UHFFFAOYSA-N -1 3 359.455 2.798 20 30 FFEDHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(CCC#N)CCC(C)C ZINC000275873539 510920622 /nfs/dbraw/zinc/92/06/22/510920622.db2.gz DYBNVWQYVXLPPB-UHFFFAOYSA-N -1 3 365.455 2.652 20 30 FFEDHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000331347317 511062643 /nfs/dbraw/zinc/06/26/43/511062643.db2.gz SDVCFEIMTYKITQ-GZMMTYOYSA-N -1 3 363.317 2.584 20 30 FFEDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000282928398 511165212 /nfs/dbraw/zinc/16/52/12/511165212.db2.gz TUWHOFKGPYSUAB-UHFFFAOYSA-N -1 3 359.329 2.660 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cnc(Cl)s1 ZINC000282939314 511169741 /nfs/dbraw/zinc/16/97/41/511169741.db2.gz HGRIXNGPDGNJRY-UHFFFAOYSA-N -1 3 350.831 2.635 20 30 FFEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000271381617 511184680 /nfs/dbraw/zinc/18/46/80/511184680.db2.gz JTJCKSYDFRPJSC-UHFFFAOYSA-N -1 3 354.447 2.693 20 30 FFEDHM C=CCN1CCC(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000365164005 511293709 /nfs/dbraw/zinc/29/37/09/511293709.db2.gz IHUAJCHJNCPDOQ-UHFFFAOYSA-N -1 3 371.481 2.647 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000333702841 511329174 /nfs/dbraw/zinc/32/91/74/511329174.db2.gz OJMPTTCPDUQEPW-GFCCVEGCSA-N -1 3 354.859 2.839 20 30 FFEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000272796949 511508245 /nfs/dbraw/zinc/50/82/45/511508245.db2.gz XYGPJXVNPXSETH-BEFAXECRSA-N -1 3 374.441 2.651 20 30 FFEDHM C[C@@]1(c2ccc(-c3noc(C4(C#N)CCCCC4)n3)cc2)NC(=O)[N-]C1=O ZINC000273744664 511593452 /nfs/dbraw/zinc/59/34/52/511593452.db2.gz PAZBLEPFICYENW-SFHVURJKSA-N -1 3 365.393 2.517 20 30 FFEDHM Cc1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc2c1CCCC2 ZINC000284181125 511633636 /nfs/dbraw/zinc/63/36/36/511633636.db2.gz VSWSIOPHXMQWJO-UHFFFAOYSA-N -1 3 365.437 2.824 20 30 FFEDHM COc1cc(-c2noc(-c3ccc(-n4ncc(C#N)c4N)cc3)n2)ccc1[O-] ZINC000350578364 511843338 /nfs/dbraw/zinc/84/33/38/511843338.db2.gz MNIPLVUDAFPQFH-UHFFFAOYSA-N -1 3 374.360 2.757 20 30 FFEDHM CCN(CC)C(=O)C1(NC(=O)c2cc(F)cc3nn[n-]c32)CCCCC1 ZINC000328643149 511904822 /nfs/dbraw/zinc/90/48/22/511904822.db2.gz FGFFRSHSOREDBN-UHFFFAOYSA-N -1 3 361.421 2.973 20 30 FFEDHM CCN(CC)C(=O)C1(NC(=O)c2cc(F)cc3[n-]nnc32)CCCCC1 ZINC000328643149 511904828 /nfs/dbraw/zinc/90/48/28/511904828.db2.gz FGFFRSHSOREDBN-UHFFFAOYSA-N -1 3 361.421 2.973 20 30 FFEDHM CCN(CC)C(=O)C1(NC(=O)c2cc(F)cc3n[n-]nc32)CCCCC1 ZINC000328643149 511904830 /nfs/dbraw/zinc/90/48/30/511904830.db2.gz FGFFRSHSOREDBN-UHFFFAOYSA-N -1 3 361.421 2.973 20 30 FFEDHM COc1cnccc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000350920544 511908382 /nfs/dbraw/zinc/90/83/82/511908382.db2.gz GAPKSNRJBPOYBW-UHFFFAOYSA-N -1 3 351.366 2.515 20 30 FFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000285048551 511981197 /nfs/dbraw/zinc/98/11/97/511981197.db2.gz JSIUPMLVVWPADO-NSHDSACASA-N -1 3 367.265 2.512 20 30 FFEDHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NC1CC(F)(F)C1 ZINC000411462505 512648128 /nfs/dbraw/zinc/64/81/28/512648128.db2.gz KLUWIBGKTWHWOU-JTQLQIEISA-N -1 3 372.240 2.598 20 30 FFEDHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000376292855 512752447 /nfs/dbraw/zinc/75/24/47/512752447.db2.gz GDCGSSYOUWJWDU-AWEZNQCLSA-N -1 3 359.451 2.655 20 30 FFEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccn1 ZINC000376393267 512798020 /nfs/dbraw/zinc/79/80/20/512798020.db2.gz BMDZQEYVJPSBGI-SFHVURJKSA-N -1 3 369.402 2.623 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000425335254 513518119 /nfs/dbraw/zinc/51/81/19/513518119.db2.gz ZLIOCUICSKDDNU-LPHOPBHVSA-N -1 3 365.433 2.543 20 30 FFEDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435428308 513581259 /nfs/dbraw/zinc/58/12/59/513581259.db2.gz RNMJQOLFKPXBDP-BONVTDFDSA-N -1 3 354.428 2.813 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2OC2CCCC2)s1 ZINC000435442146 513590342 /nfs/dbraw/zinc/59/03/42/513590342.db2.gz JPEYVZRGTBWRFQ-UHFFFAOYSA-N -1 3 363.464 2.815 20 30 FFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000447872593 513609820 /nfs/dbraw/zinc/60/98/20/513609820.db2.gz DZNHBTVSMHEYPY-UHFFFAOYSA-N -1 3 358.529 2.697 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000416438697 513771439 /nfs/dbraw/zinc/77/14/39/513771439.db2.gz AWSVXRVGBFIBNX-UHFFFAOYSA-N -1 3 355.257 2.789 20 30 FFEDHM N#CCC1(CS(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000451504316 513794292 /nfs/dbraw/zinc/79/42/92/513794292.db2.gz RKTDQWJQJXSCLI-LBPRGKRZSA-N -1 3 363.266 2.640 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N1CCCC[C@@H]1C ZINC000443106062 513874074 /nfs/dbraw/zinc/87/40/74/513874074.db2.gz QYZCTMJQIGYJHU-STQMWFEESA-N -1 3 355.891 2.753 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)Oc1ccccc1 ZINC000443123736 513879270 /nfs/dbraw/zinc/87/92/70/513879270.db2.gz NVQPMYVGNLYDMT-LBPRGKRZSA-N -1 3 350.827 2.957 20 30 FFEDHM N#CC1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCC1 ZINC000416666169 513896895 /nfs/dbraw/zinc/89/68/95/513896895.db2.gz DUBOFUMPRSPDMY-UHFFFAOYSA-N -1 3 352.309 2.696 20 30 FFEDHM C[C@@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443350382 513945298 /nfs/dbraw/zinc/94/52/98/513945298.db2.gz IRQLTFKVVCXVCF-JTQLQIEISA-N -1 3 358.847 2.610 20 30 FFEDHM C[C@@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443350338 513946019 /nfs/dbraw/zinc/94/60/19/513946019.db2.gz XIPYRLIHUVNGFC-DGCLKSJQSA-N -1 3 351.428 2.960 20 30 FFEDHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000451962274 514097346 /nfs/dbraw/zinc/09/73/46/514097346.db2.gz WJGFXCRLIWWQKM-UHFFFAOYSA-N -1 3 359.329 2.606 20 30 FFEDHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000451992306 514117042 /nfs/dbraw/zinc/11/70/42/514117042.db2.gz OBCBUAJNPNRSIX-LKFCYVNXSA-N -1 3 362.373 2.669 20 30 FFEDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cs1 ZINC000437335997 514142907 /nfs/dbraw/zinc/14/29/07/514142907.db2.gz XGHXLECSYHEHLQ-SECBINFHSA-N -1 3 371.871 2.854 20 30 FFEDHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(F)c1F ZINC000427766177 514308308 /nfs/dbraw/zinc/30/83/08/514308308.db2.gz XGLWMWWVNQNHEY-UHFFFAOYSA-N -1 3 369.324 2.682 20 30 FFEDHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427776724 514310911 /nfs/dbraw/zinc/31/09/11/514310911.db2.gz GGUXGCMIAKRTJG-UHFFFAOYSA-N -1 3 358.467 2.904 20 30 FFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000428383607 514462600 /nfs/dbraw/zinc/46/26/00/514462600.db2.gz VYMOGTULFOMDQZ-LLVKDONJSA-N -1 3 370.217 2.672 20 30 FFEDHM Cc1ccccc1O[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428383221 514463361 /nfs/dbraw/zinc/46/33/61/514463361.db2.gz UPAQUNNEWCFWBY-YJBOKZPZSA-N -1 3 371.462 2.930 20 30 FFEDHM COc1cccc2c1C[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000458098004 514567115 /nfs/dbraw/zinc/56/71/15/514567115.db2.gz GDVMWEABHLIGMI-OAHLLOKOSA-N -1 3 365.433 2.501 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000470824003 514630884 /nfs/dbraw/zinc/63/08/84/514630884.db2.gz ZNTNSZUPDMNRRS-UHFFFAOYSA-N -1 3 361.452 2.819 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000470830363 514631809 /nfs/dbraw/zinc/63/18/09/514631809.db2.gz IDDPVVAZDDQFEP-MRXNPFEDSA-N -1 3 374.466 2.538 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nccc(-c2ccco2)n1 ZINC000484458182 514658600 /nfs/dbraw/zinc/65/86/00/514658600.db2.gz MPONXQLLYBYMKG-UHFFFAOYSA-N -1 3 363.377 2.897 20 30 FFEDHM C=CCn1cccc1C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000489063871 514691459 /nfs/dbraw/zinc/69/14/59/514691459.db2.gz AYWFGKGEMXKGOX-UHFFFAOYSA-N -1 3 363.439 2.697 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2c[nH]c(C#N)c2)c(F)cc1F ZINC000489076132 514696734 /nfs/dbraw/zinc/69/67/34/514696734.db2.gz XRMRJAYCNBCRSB-UHFFFAOYSA-N -1 3 368.365 2.569 20 30 FFEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000461732285 514710940 /nfs/dbraw/zinc/71/09/40/514710940.db2.gz ZDNPCFJOAGCCGB-UHFFFAOYSA-N -1 3 367.796 2.988 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)c(F)cc1F ZINC000475785439 514809148 /nfs/dbraw/zinc/80/91/48/514809148.db2.gz DNLVPBUTFVHVND-UHFFFAOYSA-N -1 3 366.345 2.618 20 30 FFEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000475814735 514820869 /nfs/dbraw/zinc/82/08/69/514820869.db2.gz TXLJXNYDUFQYAT-UHFFFAOYSA-N -1 3 364.810 2.978 20 30 FFEDHM C=C(C)CCc1noc(-c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000508631941 514846860 /nfs/dbraw/zinc/84/68/60/514846860.db2.gz MOGXIEKAPHKFOB-UHFFFAOYSA-N -1 3 351.403 2.825 20 30 FFEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCC[C@@H]1C ZINC000489758791 514963736 /nfs/dbraw/zinc/96/37/36/514963736.db2.gz IADSMQUMCGTQIT-UGSOOPFHSA-N -1 3 359.470 2.872 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCOc3c(F)ccc(F)c32)CCCC1 ZINC000462274056 514970431 /nfs/dbraw/zinc/97/04/31/514970431.db2.gz DJDSPEQSCYUAPQ-CYBMUJFWSA-N -1 3 356.394 2.792 20 30 FFEDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCC(C)CC1 ZINC000503494708 515054071 /nfs/dbraw/zinc/05/40/71/515054071.db2.gz XGDJIPJPGJZPJJ-UHFFFAOYSA-N -1 3 370.858 2.612 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCn2cnc3ccccc32)c(Cl)c1 ZINC000503506850 515059050 /nfs/dbraw/zinc/05/90/50/515059050.db2.gz QZXRFGDFAJSIPZ-UHFFFAOYSA-N -1 3 360.826 2.540 20 30 FFEDHM C=CCC1(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCCCC1 ZINC000456366361 515133717 /nfs/dbraw/zinc/13/37/17/515133717.db2.gz MINAJPPCBUAEJJ-IBGZPJMESA-N -1 3 355.438 2.750 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)c(Cl)c1 ZINC000503825205 515147354 /nfs/dbraw/zinc/14/73/54/515147354.db2.gz WLQKVCBJNNZSJT-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Br)cc1 ZINC000499394651 515309780 /nfs/dbraw/zinc/30/97/80/515309780.db2.gz MDUITJLZUBKQKV-AWEZNQCLSA-N -1 3 356.183 2.715 20 30 FFEDHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000510561553 515589033 /nfs/dbraw/zinc/58/90/33/515589033.db2.gz XEEZBRATNZKLKY-LDYMZIIASA-N -1 3 350.387 2.607 20 30 FFEDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(F)cc1C(F)(F)F ZINC000482247744 515625145 /nfs/dbraw/zinc/62/51/45/515625145.db2.gz SJSCHPAVOXTHPJ-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F ZINC000482247744 515625153 /nfs/dbraw/zinc/62/51/53/515625153.db2.gz SJSCHPAVOXTHPJ-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1C(F)(F)F ZINC000482247744 515625160 /nfs/dbraw/zinc/62/51/60/515625160.db2.gz SJSCHPAVOXTHPJ-UHFFFAOYSA-N -1 3 356.201 2.911 20 30 FFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000469018227 515631131 /nfs/dbraw/zinc/63/11/31/515631131.db2.gz QILCUBWVOQNKKF-AAEUAGOBSA-N -1 3 360.863 2.580 20 30 FFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000493530583 515638401 /nfs/dbraw/zinc/63/84/01/515638401.db2.gz SDPVJKRJYKWOIB-CQSZACIVSA-N -1 3 373.902 2.982 20 30 FFEDHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)O1 ZINC000494355268 515819193 /nfs/dbraw/zinc/81/91/93/515819193.db2.gz BVAWCHIUTVSCQU-NSHDSACASA-N -1 3 362.373 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCSc1ccccn1 ZINC000511237547 515837282 /nfs/dbraw/zinc/83/72/82/515837282.db2.gz ZLVKOSNNSITAFY-UHFFFAOYSA-N -1 3 370.478 2.902 20 30 FFEDHM C=C(C)[C@H](CC(=O)N=c1cc2ccc(Br)cn2[n-]1)OCC ZINC000511313374 515860966 /nfs/dbraw/zinc/86/09/66/515860966.db2.gz DVDWSXSNPCXTFF-ZDUSSCGKSA-N -1 3 352.232 2.829 20 30 FFEDHM COC(=O)COc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000483218746 515989478 /nfs/dbraw/zinc/98/94/78/515989478.db2.gz IPLKGBGESVKXAZ-OAHLLOKOSA-N -1 3 361.357 2.672 20 30 FFEDHM Cn1nc(C([O-])=C(C#N)c2nccc3ccccc32)c(=O)c2ccccc21 ZINC000483219018 515990362 /nfs/dbraw/zinc/99/03/62/515990362.db2.gz JFVPGSFCCKUHOE-INIZCTEOSA-N -1 3 354.369 2.972 20 30 FFEDHM COC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[n-]1 ZINC000512613394 516313230 /nfs/dbraw/zinc/31/32/30/516313230.db2.gz KSWMBIRQHUBLQK-UHFFFAOYSA-N -1 3 353.256 2.824 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000554286807 516363734 /nfs/dbraw/zinc/36/37/34/516363734.db2.gz UAAISRNFXBBSBA-UHFFFAOYSA-N -1 3 361.398 2.758 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)c(F)c1 ZINC000535613474 516421965 /nfs/dbraw/zinc/42/19/65/516421965.db2.gz PJUSLYDAGSUXKP-UHFFFAOYSA-N -1 3 366.364 2.986 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000528479415 516469113 /nfs/dbraw/zinc/46/91/13/516469113.db2.gz VLOOPOBNNAIOGT-HNNXBMFYSA-N -1 3 367.902 2.897 20 30 FFEDHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000547712576 516516194 /nfs/dbraw/zinc/51/61/94/516516194.db2.gz AVWRRLMEJRIZJF-INIZCTEOSA-N -1 3 367.471 2.572 20 30 FFEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000528553964 516526032 /nfs/dbraw/zinc/52/60/32/516526032.db2.gz PRTGUFMHGXEDOQ-RZGXBDKHSA-N -1 3 362.373 2.667 20 30 FFEDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000547794729 516567945 /nfs/dbraw/zinc/56/79/45/516567945.db2.gz QZRPXDXQECXBTK-OAHLLOKOSA-N -1 3 350.827 2.532 20 30 FFEDHM COC(=O)CC1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCCC1 ZINC000547795251 516569335 /nfs/dbraw/zinc/56/93/35/516569335.db2.gz RFYAALKCFLUYLQ-UHFFFAOYSA-N -1 3 370.858 2.756 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000547951897 516653366 /nfs/dbraw/zinc/65/33/66/516653366.db2.gz PAVWCRPLQKOMGI-GXTWGEPZSA-N -1 3 372.874 2.726 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1C1CCOCC1 ZINC000528920638 516797222 /nfs/dbraw/zinc/79/72/22/516797222.db2.gz PVLPQHPPQNSDFM-INIZCTEOSA-N -1 3 352.394 2.504 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000544724778 516896698 /nfs/dbraw/zinc/89/66/98/516896698.db2.gz HAEBWNMPHMJFIW-XJKSGUPXSA-N -1 3 354.447 2.905 20 30 FFEDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000525150558 516933103 /nfs/dbraw/zinc/93/31/03/516933103.db2.gz BMFTVOHQCPCKOJ-UHFFFAOYSA-N -1 3 358.423 2.638 20 30 FFEDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CSCc1ccc(C#N)cc1 ZINC000525150558 516933110 /nfs/dbraw/zinc/93/31/10/516933110.db2.gz BMFTVOHQCPCKOJ-UHFFFAOYSA-N -1 3 358.423 2.638 20 30 FFEDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000532774813 517137663 /nfs/dbraw/zinc/13/76/63/517137663.db2.gz RQKGEQHMXYLUFK-HNNXBMFYSA-N -1 3 350.827 2.532 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)ccc1C#N ZINC000515410053 517339776 /nfs/dbraw/zinc/33/97/76/517339776.db2.gz PQWGUHWWPHBAOR-UHFFFAOYSA-N -1 3 352.362 2.632 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000533555026 517523234 /nfs/dbraw/zinc/52/32/34/517523234.db2.gz XOTCOPYSVBSZNW-UHFFFAOYSA-N -1 3 357.347 2.691 20 30 FFEDHM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCC1 ZINC000538282870 517540984 /nfs/dbraw/zinc/54/09/84/517540984.db2.gz IBPPPMHYZGQIOF-GFCCVEGCSA-N -1 3 356.875 2.679 20 30 FFEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cccnc3C#N)cc2)cs1 ZINC000516134761 517580912 /nfs/dbraw/zinc/58/09/12/517580912.db2.gz KXSAMDZJEYZBAI-UHFFFAOYSA-N -1 3 370.459 2.864 20 30 FFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000553424483 517707538 /nfs/dbraw/zinc/70/75/38/517707538.db2.gz CZAPTXQGHKLKJE-UHFFFAOYSA-N -1 3 357.151 2.551 20 30 FFEDHM N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000534016927 517707890 /nfs/dbraw/zinc/70/78/90/517707890.db2.gz XXMHKNKNAWABLM-UHFFFAOYSA-N -1 3 355.419 2.816 20 30 FFEDHM CC(C)(C)[C@H](C#N)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000553527149 517765730 /nfs/dbraw/zinc/76/57/30/517765730.db2.gz QGHKKXOHADWUMX-AWEZNQCLSA-N -1 3 372.450 2.698 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](NCc2ccccc2)c2ccco2)o1 ZINC000553559414 517781272 /nfs/dbraw/zinc/78/12/72/517781272.db2.gz FLUWVZYWQLASKA-INIZCTEOSA-N -1 3 371.418 2.554 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c1 ZINC000534306308 517839942 /nfs/dbraw/zinc/83/99/42/517839942.db2.gz AXKRSDFVRDRAAG-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM COc1cc(C#N)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000547416093 518128851 /nfs/dbraw/zinc/12/88/51/518128851.db2.gz GRKZCYVPMSBLHQ-UHFFFAOYSA-N -1 3 350.378 2.727 20 30 FFEDHM Cc1nc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)nc2ccccc12 ZINC000535041064 518133405 /nfs/dbraw/zinc/13/34/05/518133405.db2.gz OICVKWGCFCMFDV-UHFFFAOYSA-N -1 3 370.409 2.569 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(Br)s1 ZINC000564007870 518267806 /nfs/dbraw/zinc/26/78/06/518267806.db2.gz QPSOUFUECGRCQO-MRVPVSSYSA-N -1 3 372.269 2.817 20 30 FFEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1cccc(C#N)c1 ZINC000579201090 518567510 /nfs/dbraw/zinc/56/75/10/518567510.db2.gz GAUXFXLYMKUXQR-UHFFFAOYSA-N -1 3 351.797 2.610 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c1 ZINC000576485260 518616838 /nfs/dbraw/zinc/61/68/38/518616838.db2.gz YXNNYTOZSCGSJD-UHFFFAOYSA-N -1 3 371.393 2.972 20 30 FFEDHM COC(=O)c1cc(Cl)cc(NC(=O)COc2ccccc2C#N)c1[O-] ZINC000588097300 518724193 /nfs/dbraw/zinc/72/41/93/518724193.db2.gz GIZDSJOWYAAVBL-UHFFFAOYSA-N -1 3 360.753 2.721 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCO1 ZINC000588121010 518729298 /nfs/dbraw/zinc/72/92/98/518729298.db2.gz NMLPKSIJRIJXMT-CHWSQXEVSA-N -1 3 373.272 2.557 20 30 FFEDHM C=CCc1ccccc1OC[C@@H](O)CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000568099325 518873488 /nfs/dbraw/zinc/87/34/88/518873488.db2.gz BBIRELDGRCCAQB-GHTZIAJQSA-N -1 3 367.445 2.839 20 30 FFEDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000571066232 518911575 /nfs/dbraw/zinc/91/15/75/518911575.db2.gz IUTJSPGXMLPIMN-STQMWFEESA-N -1 3 373.272 2.557 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000571602175 519174145 /nfs/dbraw/zinc/17/41/45/519174145.db2.gz DCFYSDHBTQWSFL-HUUCEWRRSA-N -1 3 354.859 2.783 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000574560910 519217452 /nfs/dbraw/zinc/21/74/52/519217452.db2.gz VDVRWQFXXGXJSN-CQSZACIVSA-N -1 3 369.368 2.653 20 30 FFEDHM NCC(F)(F)CC(=O)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000568876978 519262778 /nfs/dbraw/zinc/26/27/78/519262778.db2.gz ZZRJJZCJKBINBT-JTQLQIEISA-N -1 3 362.245 2.992 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C)C1CC1 ZINC000566229851 519382002 /nfs/dbraw/zinc/38/20/02/519382002.db2.gz PBYVQIQXGWLQNG-CQSZACIVSA-N -1 3 373.272 2.796 20 30 FFEDHM COC(=O)COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000569182963 519417145 /nfs/dbraw/zinc/41/71/45/519417145.db2.gz SERVDTCLDHRXKR-OAHLLOKOSA-N -1 3 361.357 2.672 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1COCc2ccccc21 ZINC000569331958 519496775 /nfs/dbraw/zinc/49/67/75/519496775.db2.gz NFVOHLHYEGINOR-SFHVURJKSA-N -1 3 351.406 2.596 20 30 FFEDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1)OC ZINC000591490475 519931555 /nfs/dbraw/zinc/93/15/55/519931555.db2.gz YFXHWSCWXKRVMS-OAHLLOKOSA-N -1 3 361.423 2.912 20 30 FFEDHM Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000594668234 520075291 /nfs/dbraw/zinc/07/52/91/520075291.db2.gz ZFAPJDZAEQLHBT-SFHVURJKSA-N -1 3 353.397 2.862 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594723399 520113461 /nfs/dbraw/zinc/11/34/61/520113461.db2.gz NWKUTGWVBHZBMV-LLVKDONJSA-N -1 3 351.653 2.929 20 30 FFEDHM CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000597618048 520138974 /nfs/dbraw/zinc/13/89/74/520138974.db2.gz YVWIFZQUWFNZLB-IBGZPJMESA-N -1 3 373.497 2.597 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CCO)C(C)C ZINC000594760729 520140541 /nfs/dbraw/zinc/14/05/41/520140541.db2.gz WGYSVEXPIWSLMI-CQSZACIVSA-N -1 3 352.481 2.767 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CO)CC1CC1 ZINC000594766958 520144140 /nfs/dbraw/zinc/14/41/40/520144140.db2.gz ZAPSJYSMKAHBDG-ZDUSSCGKSA-N -1 3 350.465 2.521 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C1(C)CCOCC1 ZINC000594765049 520144490 /nfs/dbraw/zinc/14/44/90/520144490.db2.gz HMBDRJQBHIFNLX-UHFFFAOYSA-N -1 3 350.465 2.929 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC000594770519 520148094 /nfs/dbraw/zinc/14/80/94/520148094.db2.gz JPEFCFDWXZVMSQ-DZGCQCFKSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)CC(C)(C)O ZINC000594778869 520153072 /nfs/dbraw/zinc/15/30/72/520153072.db2.gz CIIQMWCJSDUSJD-SNVBAGLBSA-N -1 3 352.481 2.909 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592048113 520154225 /nfs/dbraw/zinc/15/42/25/520154225.db2.gz GRRCWJKQNGDJKP-AWEZNQCLSA-N -1 3 367.352 2.938 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000594790659 520159045 /nfs/dbraw/zinc/15/90/45/520159045.db2.gz WBLSZAUDSVBCGT-NWDGAFQWSA-N -1 3 373.496 2.957 20 30 FFEDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)O1 ZINC000594853014 520189099 /nfs/dbraw/zinc/18/90/99/520189099.db2.gz VQAWWECQCYCEEY-WDEREUQCSA-N -1 3 373.272 2.557 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000609287153 520259275 /nfs/dbraw/zinc/25/92/75/520259275.db2.gz IVBQWXBXUSQZMH-HNNXBMFYSA-N -1 3 363.826 2.706 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)C(=O)[N-]c2sccc2C(=O)OCC)C1 ZINC000595125208 520309082 /nfs/dbraw/zinc/30/90/82/520309082.db2.gz YZYHRDDPNNOIQA-LBPRGKRZSA-N -1 3 350.440 2.678 20 30 FFEDHM COc1ccc(F)cc1S(=O)(=O)[N-][C@]1(C#N)CCc2ccccc2C1 ZINC000592383084 520360787 /nfs/dbraw/zinc/36/07/87/520360787.db2.gz GAVXYZSZCDUABM-GOSISDBHSA-N -1 3 360.410 2.564 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000600668067 520385696 /nfs/dbraw/zinc/38/56/96/520385696.db2.gz LIWPKLJEPHTJTO-XYPHTWIQSA-N -1 3 354.447 2.905 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C#N)C1CCCCC1)c1ccc(F)cc1 ZINC000600667425 520385867 /nfs/dbraw/zinc/38/58/67/520385867.db2.gz CSUIMOULDFCUTP-IRXDYDNUSA-N -1 3 354.447 2.905 20 30 FFEDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000595353640 520423293 /nfs/dbraw/zinc/42/32/93/520423293.db2.gz KHQRLYBLJMLOEH-HOTGVXAUSA-N -1 3 350.465 2.656 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000595377482 520437020 /nfs/dbraw/zinc/43/70/20/520437020.db2.gz OSXSVEZBGHBUTL-KRWDZBQOSA-N -1 3 354.447 2.712 20 30 FFEDHM CC(C#N)C(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000609921474 520482014 /nfs/dbraw/zinc/48/20/14/520482014.db2.gz ZXCIEECQEBJLKW-AWEZNQCLSA-N -1 3 357.435 2.605 20 30 FFEDHM COCc1csc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000598209584 520495470 /nfs/dbraw/zinc/49/54/70/520495470.db2.gz QGVHHZPMWHABSK-UHFFFAOYSA-N -1 3 359.451 2.733 20 30 FFEDHM COc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084236 520533425 /nfs/dbraw/zinc/53/34/25/520533425.db2.gz CPUODGROGVLBEJ-AWEZNQCLSA-N -1 3 362.382 2.508 20 30 FFEDHM CCCCn1c(=O)[n-]nc1SCc1nnc(-c2cccc(C#N)c2)o1 ZINC000610219270 520586499 /nfs/dbraw/zinc/58/64/99/520586499.db2.gz FSEWAPRCQWRPHG-UHFFFAOYSA-N -1 3 356.411 2.998 20 30 FFEDHM CC[C@H](OC1CCCC1)C(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000610233022 520592878 /nfs/dbraw/zinc/59/28/78/520592878.db2.gz SCCAWMACANCVMW-KRWDZBQOSA-N -1 3 353.426 2.546 20 30 FFEDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000610266443 520612723 /nfs/dbraw/zinc/61/27/23/520612723.db2.gz QLXFAYGFHVWHAQ-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000613926157 520729878 /nfs/dbraw/zinc/72/98/78/520729878.db2.gz TVWIZPGLUAYMPN-NVXWUHKLSA-N -1 3 350.484 2.544 20 30 FFEDHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3cc(C#N)ccc3Cl)nc12 ZINC000613931304 520732207 /nfs/dbraw/zinc/73/22/07/520732207.db2.gz PFOGDFIWVYTRCV-UHFFFAOYSA-N -1 3 374.853 2.689 20 30 FFEDHM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000610739554 520823425 /nfs/dbraw/zinc/82/34/25/520823425.db2.gz CCNBNWJPQDXMSY-PWSUYJOCSA-N -1 3 362.373 2.670 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2([C@H]3CCCCO3)CCC2)c(F)c1 ZINC000601521315 520823660 /nfs/dbraw/zinc/82/36/60/520823660.db2.gz XBCPIVNGEBWZNQ-MRXNPFEDSA-N -1 3 352.431 2.715 20 30 FFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1F ZINC000610871154 520883988 /nfs/dbraw/zinc/88/39/88/520883988.db2.gz LIRLUCKKNAVRNU-CYBMUJFWSA-N -1 3 351.337 2.989 20 30 FFEDHM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000611024885 520952799 /nfs/dbraw/zinc/95/27/99/520952799.db2.gz NSSVPLGOKQGBLY-HNNXBMFYSA-N -1 3 362.382 2.508 20 30 FFEDHM COc1cc(C)c([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593530790 521054745 /nfs/dbraw/zinc/05/47/45/521054745.db2.gz MHXGNZCPDXHJNR-NSHDSACASA-N -1 3 366.464 2.985 20 30 FFEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CN1Cc1ccccc1 ZINC000593562213 521077835 /nfs/dbraw/zinc/07/78/35/521077835.db2.gz CKRRWQHBWZZZRC-DZGCQCFKSA-N -1 3 361.492 2.561 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593573364 521084566 /nfs/dbraw/zinc/08/45/66/521084566.db2.gz QGDUACRCRAJEQW-MEBBXXQBSA-N -1 3 354.428 2.813 20 30 FFEDHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593571959 521084784 /nfs/dbraw/zinc/08/47/84/521084784.db2.gz YHUUOFAYXQBWCQ-GFCCVEGCSA-N -1 3 350.465 2.785 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000593575564 521086939 /nfs/dbraw/zinc/08/69/39/521086939.db2.gz HSHQALYJDGAWMC-KBPBESRZSA-N -1 3 366.439 2.957 20 30 FFEDHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593585310 521092881 /nfs/dbraw/zinc/09/28/81/521092881.db2.gz DVNJYTKGTKSFCP-OAHLLOKOSA-N -1 3 364.492 2.936 20 30 FFEDHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccco1 ZINC000593597572 521099434 /nfs/dbraw/zinc/09/94/34/521099434.db2.gz AOLZIRQKUJDDSY-RYUDHWBXSA-N -1 3 353.469 2.620 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC12CCOCC2 ZINC000593596490 521099458 /nfs/dbraw/zinc/09/94/58/521099458.db2.gz CIUCGFBYKUALBY-QGZVFWFLSA-N -1 3 374.487 2.992 20 30 FFEDHM COc1cccc([C@H](C[N-]S(=O)(=O)CC2(C#N)CCCCC2)OC)c1 ZINC000599363497 521176755 /nfs/dbraw/zinc/17/67/55/521176755.db2.gz QPMNEYHIPMYGIT-KRWDZBQOSA-N -1 3 366.483 2.776 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000599466895 521242541 /nfs/dbraw/zinc/24/25/41/521242541.db2.gz DHKHNIFCPFJNFJ-WKPIXPDZSA-N -1 3 350.852 2.890 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618893359 521280562 /nfs/dbraw/zinc/28/05/62/521280562.db2.gz KDUFIJCXBLEGMD-MRXNPFEDSA-N -1 3 373.416 2.840 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccccc1Br ZINC000615132842 521286538 /nfs/dbraw/zinc/28/65/38/521286538.db2.gz IXRDGRQBWRTRCQ-ZDUSSCGKSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccccc1Br ZINC000615132842 521286546 /nfs/dbraw/zinc/28/65/46/521286546.db2.gz IXRDGRQBWRTRCQ-ZDUSSCGKSA-N -1 3 356.183 2.715 20 30 FFEDHM N#C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1Br ZINC000615132842 521286551 /nfs/dbraw/zinc/28/65/51/521286551.db2.gz IXRDGRQBWRTRCQ-ZDUSSCGKSA-N -1 3 356.183 2.715 20 30 FFEDHM COc1ccccc1-c1cc(=NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[nH][n-]1 ZINC000619423574 521560778 /nfs/dbraw/zinc/56/07/78/521560778.db2.gz RHQMFDPWGHBCKK-INIZCTEOSA-N -1 3 371.400 2.700 20 30 FFEDHM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462035 521581563 /nfs/dbraw/zinc/58/15/63/521581563.db2.gz SRHMENRFZZNROE-UHFFFAOYSA-N -1 3 363.826 2.566 20 30 FFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)s1 ZINC000619681774 521823879 /nfs/dbraw/zinc/82/38/79/521823879.db2.gz BUTDRGGDNSJEFY-XGNXJENSSA-N -1 3 369.512 2.553 20 30 FFEDHM COC(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[n-]1 ZINC000498962896 561539567 /nfs/dbraw/zinc/53/95/67/561539567.db2.gz CGNHPHUQGWRZMP-UHFFFAOYSA-N -1 3 369.768 2.764 20 30 FFEDHM N#C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000737673975 598826339 /nfs/dbraw/zinc/82/63/39/598826339.db2.gz FLZFRCPAAKCWRE-INIZCTEOSA-N -1 3 366.812 2.834 20 30 FFEDHM N#C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000737673975 598826341 /nfs/dbraw/zinc/82/63/41/598826341.db2.gz FLZFRCPAAKCWRE-INIZCTEOSA-N -1 3 366.812 2.834 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)[C@H](C)C#N)cc1 ZINC000737032336 598896601 /nfs/dbraw/zinc/89/66/01/598896601.db2.gz LCJUMFBDKNHWSK-LLVKDONJSA-N -1 3 364.365 2.766 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)[C@H](C)C#N)cc1 ZINC000737032336 598896603 /nfs/dbraw/zinc/89/66/03/598896603.db2.gz LCJUMFBDKNHWSK-LLVKDONJSA-N -1 3 364.365 2.766 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1-c1nnn[n-]1 ZINC000737717135 598914587 /nfs/dbraw/zinc/91/45/87/598914587.db2.gz ZLWYDHICOJOSJF-UHFFFAOYSA-N -1 3 369.388 2.710 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1-c1nn[n-]n1 ZINC000737717135 598914588 /nfs/dbraw/zinc/91/45/88/598914588.db2.gz ZLWYDHICOJOSJF-UHFFFAOYSA-N -1 3 369.388 2.710 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000737716135 598915737 /nfs/dbraw/zinc/91/57/37/598915737.db2.gz LNLAGGPEOAQUNG-FPLPWBNLSA-N -1 3 373.401 3.000 20 30 FFEDHM N#Cc1ccc(NC(=O)C=Cc2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000737716135 598915739 /nfs/dbraw/zinc/91/57/39/598915739.db2.gz LNLAGGPEOAQUNG-FPLPWBNLSA-N -1 3 373.401 3.000 20 30 FFEDHM CCOc1ccccc1CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736654021 598916165 /nfs/dbraw/zinc/91/61/65/598916165.db2.gz OUHBSSYIDZTMPX-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM CCOc1ccccc1CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736654021 598916166 /nfs/dbraw/zinc/91/61/66/598916166.db2.gz OUHBSSYIDZTMPX-UHFFFAOYSA-N -1 3 362.393 2.708 20 30 FFEDHM Cc1cccc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737396713 598918576 /nfs/dbraw/zinc/91/85/76/598918576.db2.gz LDOSCLGPCWVYQX-UHFFFAOYSA-N -1 3 364.434 2.919 20 30 FFEDHM Cc1cccc(CSCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737396713 598918578 /nfs/dbraw/zinc/91/85/78/598918578.db2.gz LDOSCLGPCWVYQX-UHFFFAOYSA-N -1 3 364.434 2.919 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737716017 598920089 /nfs/dbraw/zinc/92/00/89/598920089.db2.gz KHRSABXNMCXVSN-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737716017 598920092 /nfs/dbraw/zinc/92/00/92/598920092.db2.gz KHRSABXNMCXVSN-UHFFFAOYSA-N -1 3 372.310 2.938 20 30 FFEDHM N#Cc1cc(NC(=O)c2nc(Cl)ccc2Cl)ccc1-c1nnn[n-]1 ZINC000737709222 598920447 /nfs/dbraw/zinc/92/04/47/598920447.db2.gz JNMNBMULZPKOTR-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cc(NC(=O)c2nc(Cl)ccc2Cl)ccc1-c1nn[n-]n1 ZINC000737709222 598920448 /nfs/dbraw/zinc/92/04/48/598920448.db2.gz JNMNBMULZPKOTR-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM CCCOc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000821128660 607253323 /nfs/dbraw/zinc/25/33/23/607253323.db2.gz YUGIXOULIIOCEX-UHFFFAOYSA-N -1 3 366.425 2.788 20 30 FFEDHM CCCOc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000821128660 607253324 /nfs/dbraw/zinc/25/33/24/607253324.db2.gz YUGIXOULIIOCEX-UHFFFAOYSA-N -1 3 366.425 2.788 20 30 FFEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1-n1cncn1 ZINC000822198703 599111630 /nfs/dbraw/zinc/11/16/30/599111630.db2.gz HDVGVLOLIKBGQY-SOFGYWHQSA-N -1 3 357.377 2.652 20 30 FFEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1-n1cncn1 ZINC000822198703 599111632 /nfs/dbraw/zinc/11/16/32/599111632.db2.gz HDVGVLOLIKBGQY-SOFGYWHQSA-N -1 3 357.377 2.652 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cc(F)ccc1F ZINC000819743909 599145285 /nfs/dbraw/zinc/14/52/85/599145285.db2.gz SJMYDDGGLUWMLT-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cc(F)ccc1F ZINC000819743909 599145288 /nfs/dbraw/zinc/14/52/88/599145288.db2.gz SJMYDDGGLUWMLT-UHFFFAOYSA-N -1 3 369.375 2.902 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000737081240 599151053 /nfs/dbraw/zinc/15/10/53/599151053.db2.gz LXWJWBMFSFXHEX-GORDUTHDSA-N -1 3 350.334 2.500 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000737081240 599151054 /nfs/dbraw/zinc/15/10/54/599151054.db2.gz LXWJWBMFSFXHEX-GORDUTHDSA-N -1 3 350.334 2.500 20 30 FFEDHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737350603 599193680 /nfs/dbraw/zinc/19/36/80/599193680.db2.gz GOIHWNVMIJLDGV-UHFFFAOYSA-N -1 3 373.420 2.899 20 30 FFEDHM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737350603 599193682 /nfs/dbraw/zinc/19/36/82/599193682.db2.gz GOIHWNVMIJLDGV-UHFFFAOYSA-N -1 3 373.420 2.899 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2CCSc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737703626 599195986 /nfs/dbraw/zinc/19/59/86/599195986.db2.gz DKRXJSXLNOTDJF-OAHLLOKOSA-N -1 3 362.418 2.956 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2CCSc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737703626 599195988 /nfs/dbraw/zinc/19/59/88/599195988.db2.gz DKRXJSXLNOTDJF-OAHLLOKOSA-N -1 3 362.418 2.956 20 30 FFEDHM N#Cc1cc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)ccc1Cl ZINC000822822658 607263092 /nfs/dbraw/zinc/26/30/92/607263092.db2.gz AFWAUUXGDAAJBE-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM N#Cc1cc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000822822658 607263093 /nfs/dbraw/zinc/26/30/93/607263093.db2.gz AFWAUUXGDAAJBE-UHFFFAOYSA-N -1 3 360.164 2.692 20 30 FFEDHM C[C@@H](C#N)COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819857344 607323065 /nfs/dbraw/zinc/32/30/65/607323065.db2.gz RIUNBWULICGGIT-ZDUSSCGKSA-N -1 3 363.377 2.762 20 30 FFEDHM C[C@H](C#N)CNN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819855655 607325336 /nfs/dbraw/zinc/32/53/36/607325336.db2.gz FJTRHDUIOQUEKL-CQSZACIVSA-N -1 3 361.409 2.529 20 30 FFEDHM C[C@H](C#N)CNN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819855655 607325337 /nfs/dbraw/zinc/32/53/37/607325337.db2.gz FJTRHDUIOQUEKL-CQSZACIVSA-N -1 3 361.409 2.529 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000737001528 598243135 /nfs/dbraw/zinc/24/31/35/598243135.db2.gz AICXFVJWSYDJLM-UHFFFAOYSA-N -1 3 352.373 2.530 20 30 FFEDHM COCCN(Cc1ccc(C#N)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000737001528 598243137 /nfs/dbraw/zinc/24/31/37/598243137.db2.gz AICXFVJWSYDJLM-UHFFFAOYSA-N -1 3 352.373 2.530 20 30 FFEDHM N#Cc1ccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737719575 598321004 /nfs/dbraw/zinc/32/10/04/598321004.db2.gz SMAINHZCNAGQGP-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM N#Cc1ccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737719575 598321006 /nfs/dbraw/zinc/32/10/06/598321006.db2.gz SMAINHZCNAGQGP-UHFFFAOYSA-N -1 3 370.829 2.705 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735380686 598514033 /nfs/dbraw/zinc/51/40/33/598514033.db2.gz LEYSCBGUORDOFY-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM C#CCOc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380686 598514035 /nfs/dbraw/zinc/51/40/35/598514035.db2.gz LEYSCBGUORDOFY-CYBMUJFWSA-N -1 3 362.393 2.761 20 30 FFEDHM N#Cc1cc(F)ccc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737705876 598707015 /nfs/dbraw/zinc/70/70/15/598707015.db2.gz RNOJTGLOJUEVDZ-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM N#Cc1cc(F)ccc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737705876 598707017 /nfs/dbraw/zinc/70/70/17/598707017.db2.gz RNOJTGLOJUEVDZ-UHFFFAOYSA-N -1 3 351.341 2.553 20 30 FFEDHM CN(C(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000736749815 598818854 /nfs/dbraw/zinc/81/88/54/598818854.db2.gz SHZDCVDKIOSTFX-UHFFFAOYSA-N -1 3 357.377 2.622 20 30 FFEDHM CN(C(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000736749815 598818855 /nfs/dbraw/zinc/81/88/55/598818855.db2.gz SHZDCVDKIOSTFX-UHFFFAOYSA-N -1 3 357.377 2.622 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000819743729 599317561 /nfs/dbraw/zinc/31/75/61/599317561.db2.gz PDILWPJAOROXHZ-WMLDXEAASA-N -1 3 355.442 2.729 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000819743729 599317564 /nfs/dbraw/zinc/31/75/64/599317564.db2.gz PDILWPJAOROXHZ-WMLDXEAASA-N -1 3 355.442 2.729 20 30 FFEDHM C#CCOc1cc(F)ccc1NCc1cc(-c2nnn[n-]2)ccc1OC ZINC000819709341 607370316 /nfs/dbraw/zinc/37/03/16/607370316.db2.gz DMMDSAOOIPYEJJ-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM C#CCOc1cc(F)ccc1NCc1cc(-c2nn[n-]n2)ccc1OC ZINC000819709341 607370318 /nfs/dbraw/zinc/37/03/18/607370318.db2.gz DMMDSAOOIPYEJJ-UHFFFAOYSA-N -1 3 353.357 2.639 20 30 FFEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CCC1 ZINC000737676656 599373150 /nfs/dbraw/zinc/37/31/50/599373150.db2.gz XDPPJTSDPQKMCL-UHFFFAOYSA-N -1 3 361.365 2.686 20 30 FFEDHM N#Cc1ccccc1N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000737727994 599426068 /nfs/dbraw/zinc/42/60/68/599426068.db2.gz WFXRHIVXEGUPRB-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM N#Cc1ccccc1N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000737727994 599426070 /nfs/dbraw/zinc/42/60/70/599426070.db2.gz WFXRHIVXEGUPRB-UHFFFAOYSA-N -1 3 365.828 2.718 20 30 FFEDHM O=C1c2cccc(Cl)c2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738288257 599463661 /nfs/dbraw/zinc/46/36/61/599463661.db2.gz BEPIUZONOYKACZ-WDZFZDKYSA-N -1 3 362.780 2.990 20 30 FFEDHM O=C1c2cccc(Cl)c2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738288257 599463664 /nfs/dbraw/zinc/46/36/64/599463664.db2.gz BEPIUZONOYKACZ-WDZFZDKYSA-N -1 3 362.780 2.990 20 30 FFEDHM C#CCCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819693312 599468277 /nfs/dbraw/zinc/46/82/77/599468277.db2.gz PUAXGJRHHXGUPV-UHFFFAOYSA-N -1 3 366.450 2.808 20 30 FFEDHM C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339885 599470876 /nfs/dbraw/zinc/47/08/76/599470876.db2.gz HSODAWSDAFVTGA-ZDUSSCGKSA-N -1 3 361.409 2.641 20 30 FFEDHM C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339885 599470878 /nfs/dbraw/zinc/47/08/78/599470878.db2.gz HSODAWSDAFVTGA-ZDUSSCGKSA-N -1 3 361.409 2.641 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC[C@H](SC)C1 ZINC000819743159 599679427 /nfs/dbraw/zinc/67/94/27/599679427.db2.gz DKLIPQQFNRGXFS-HOTGVXAUSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[C@H](SC)C1 ZINC000819743159 599679428 /nfs/dbraw/zinc/67/94/28/599679428.db2.gz DKLIPQQFNRGXFS-HOTGVXAUSA-N -1 3 372.498 2.848 20 30 FFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737369973 599905909 /nfs/dbraw/zinc/90/59/09/599905909.db2.gz NKVBZVQVTIILOI-UHFFFAOYSA-N -1 3 366.421 2.852 20 30 FFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C#N)cc1C ZINC000826167938 607430348 /nfs/dbraw/zinc/43/03/48/607430348.db2.gz WNCGQBUNKCQURX-UHFFFAOYSA-N -1 3 369.768 2.928 20 30 FFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C#N)cc1C ZINC000826167938 607430350 /nfs/dbraw/zinc/43/03/50/607430350.db2.gz WNCGQBUNKCQURX-UHFFFAOYSA-N -1 3 369.768 2.928 20 30 FFEDHM C[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(C#N)c1 ZINC000824500471 607458630 /nfs/dbraw/zinc/45/86/30/607458630.db2.gz XEWWPOVQJHTZFD-CYBMUJFWSA-N -1 3 373.420 2.788 20 30 FFEDHM C[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(C#N)c1 ZINC000824500471 607458631 /nfs/dbraw/zinc/45/86/31/607458631.db2.gz XEWWPOVQJHTZFD-CYBMUJFWSA-N -1 3 373.420 2.788 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000823530262 607458766 /nfs/dbraw/zinc/45/87/66/607458766.db2.gz GOIIJNMNYNRUHD-DAXSKMNVSA-N -1 3 363.352 2.787 20 30 FFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000823530262 607458768 /nfs/dbraw/zinc/45/87/68/607458768.db2.gz GOIIJNMNYNRUHD-DAXSKMNVSA-N -1 3 363.352 2.787 20 30 FFEDHM N#Cc1cccc([C@H](NCc2ccc(C(=O)N3CCCC3)cc2)C(=O)[O-])c1 ZINC000833075105 601299885 /nfs/dbraw/zinc/29/98/85/601299885.db2.gz HPUWZPMLTKUQMT-IBGZPJMESA-N -1 3 363.417 2.710 20 30 FFEDHM C=CCC(CC=C)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000825660133 602203676 /nfs/dbraw/zinc/20/36/76/602203676.db2.gz UYCGCWHBQYWCLL-OAQYLSRUSA-N -1 3 356.466 2.990 20 30 FFEDHM CCN(CC(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1)C(=O)[O-] ZINC000739385737 602866099 /nfs/dbraw/zinc/86/60/99/602866099.db2.gz UYZALZFIGJZEHT-CYBMUJFWSA-N -1 3 359.407 2.995 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827595070 604221076 /nfs/dbraw/zinc/22/10/76/604221076.db2.gz LJEDAWBZEPWTGV-BZUAXINKSA-N -1 3 371.437 2.895 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000826245515 607686518 /nfs/dbraw/zinc/68/65/18/607686518.db2.gz AHCSFYRTVGWZEA-OAHLLOKOSA-N -1 3 352.785 2.823 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000826245515 607686519 /nfs/dbraw/zinc/68/65/19/607686519.db2.gz AHCSFYRTVGWZEA-OAHLLOKOSA-N -1 3 352.785 2.823 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823856151 607695386 /nfs/dbraw/zinc/69/53/86/607695386.db2.gz LAMAAOLOMAXFCL-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823856151 607695387 /nfs/dbraw/zinc/69/53/87/607695387.db2.gz LAMAAOLOMAXFCL-UHFFFAOYSA-N -1 3 351.341 2.579 20 30 FFEDHM N#CCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381556 607708453 /nfs/dbraw/zinc/70/84/53/607708453.db2.gz PZOUKHYXFVMARS-QGZVFWFLSA-N -1 3 361.409 2.711 20 30 FFEDHM N#CCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381556 607708454 /nfs/dbraw/zinc/70/84/54/607708454.db2.gz PZOUKHYXFVMARS-QGZVFWFLSA-N -1 3 361.409 2.711 20 30 FFEDHM N#CC(C(=O)C[C@@H]1CSCCN1C(=O)[O-])c1ccc2ccccc2n1 ZINC000831065151 605346710 /nfs/dbraw/zinc/34/67/10/605346710.db2.gz PLSATZLRQSRCJJ-KGLIPLIRSA-N -1 3 355.419 2.897 20 30 FFEDHM N#CC(C(=O)C[C@H]1CSCCN1C(=O)[O-])c1ccc2ccccc2n1 ZINC000831065148 605346743 /nfs/dbraw/zinc/34/67/43/605346743.db2.gz PLSATZLRQSRCJJ-KBPBESRZSA-N -1 3 355.419 2.897 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C(C)C)n(C)n1 ZINC000819745674 606102165 /nfs/dbraw/zinc/10/21/65/606102165.db2.gz OUCAVBKXSPINJL-UHFFFAOYSA-N -1 3 365.441 2.552 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C(C)C)n(C)n1 ZINC000819745674 606102168 /nfs/dbraw/zinc/10/21/68/606102168.db2.gz OUCAVBKXSPINJL-UHFFFAOYSA-N -1 3 365.441 2.552 20 30 FFEDHM CCN(C[C@@H](C)C#N)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000821170983 606175926 /nfs/dbraw/zinc/17/59/26/606175926.db2.gz YTRICRCFCVZMDJ-LBPRGKRZSA-N -1 3 360.425 2.962 20 30 FFEDHM CCN(C[C@@H](C)C#N)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000821170983 606175927 /nfs/dbraw/zinc/17/59/27/606175927.db2.gz YTRICRCFCVZMDJ-LBPRGKRZSA-N -1 3 360.425 2.962 20 30 FFEDHM N#CC1(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000822801396 606322626 /nfs/dbraw/zinc/32/26/26/606322626.db2.gz IKHGMIPIAFNCIZ-UHFFFAOYSA-N -1 3 362.418 2.804 20 30 FFEDHM N#CC1(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000822801396 606322628 /nfs/dbraw/zinc/32/26/28/606322628.db2.gz IKHGMIPIAFNCIZ-UHFFFAOYSA-N -1 3 362.418 2.804 20 30 FFEDHM CN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)C1(C#N)CCCCC1 ZINC000821570864 606325609 /nfs/dbraw/zinc/32/56/09/606325609.db2.gz OMIDUGJYGDQRRF-UHFFFAOYSA-N -1 3 356.455 2.644 20 30 FFEDHM CN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)C1(C#N)CCCCC1 ZINC000821570864 606325612 /nfs/dbraw/zinc/32/56/12/606325612.db2.gz OMIDUGJYGDQRRF-UHFFFAOYSA-N -1 3 356.455 2.644 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820534694 606344417 /nfs/dbraw/zinc/34/44/17/606344417.db2.gz NEGHAFZEBNGRRO-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820534694 606344419 /nfs/dbraw/zinc/34/44/19/606344419.db2.gz NEGHAFZEBNGRRO-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM C[C@@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820530214 606344457 /nfs/dbraw/zinc/34/44/57/606344457.db2.gz XYDMUILZABJQCX-OLZOCXBDSA-N -1 3 363.377 2.810 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1ccccn1 ZINC000822015735 606392319 /nfs/dbraw/zinc/39/23/19/606392319.db2.gz NXSBCNBZKFOTJC-ALCCZGGFSA-N -1 3 363.406 2.713 20 30 FFEDHM CN(C(=O)c1cccc(CC#N)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574468 606414909 /nfs/dbraw/zinc/41/49/09/606414909.db2.gz IAWKFEFLPGWXCW-UHFFFAOYSA-N -1 3 352.785 2.863 20 30 FFEDHM CN(C(=O)c1cccc(CC#N)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574468 606414912 /nfs/dbraw/zinc/41/49/12/606414912.db2.gz IAWKFEFLPGWXCW-UHFFFAOYSA-N -1 3 352.785 2.863 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)ns1 ZINC000819745934 606436286 /nfs/dbraw/zinc/43/62/86/606436286.db2.gz VKTGQLZDZRYWOT-UHFFFAOYSA-N -1 3 355.427 2.852 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)ns1 ZINC000819745934 606436288 /nfs/dbraw/zinc/43/62/88/606436288.db2.gz VKTGQLZDZRYWOT-UHFFFAOYSA-N -1 3 355.427 2.852 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822801645 606449059 /nfs/dbraw/zinc/44/90/59/606449059.db2.gz LOVJIGSNGWZIJN-OALUTQOASA-N -1 3 372.432 2.708 20 30 FFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822801645 606449061 /nfs/dbraw/zinc/44/90/61/606449061.db2.gz LOVJIGSNGWZIJN-OALUTQOASA-N -1 3 372.432 2.708 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C#N)cs1 ZINC000820120803 606491982 /nfs/dbraw/zinc/49/19/82/606491982.db2.gz JWKKETRBBVGWNU-UHFFFAOYSA-N -1 3 352.423 2.851 20 30 FFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C#N)cs1 ZINC000820120803 606491983 /nfs/dbraw/zinc/49/19/83/606491983.db2.gz JWKKETRBBVGWNU-UHFFFAOYSA-N -1 3 352.423 2.851 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820842597 606614373 /nfs/dbraw/zinc/61/43/73/606614373.db2.gz OAGOGHZWKYYNMU-ZDUSSCGKSA-N -1 3 350.338 2.513 20 30 FFEDHM CC[C@@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820842597 606614374 /nfs/dbraw/zinc/61/43/74/606614374.db2.gz OAGOGHZWKYYNMU-ZDUSSCGKSA-N -1 3 350.338 2.513 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819745476 606670750 /nfs/dbraw/zinc/67/07/50/606670750.db2.gz FQMLPDOZBWLWAY-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM C=CCN(Cc1ccccc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819745476 606670751 /nfs/dbraw/zinc/67/07/51/606670751.db2.gz FQMLPDOZBWLWAY-UHFFFAOYSA-N -1 3 355.348 2.973 20 30 FFEDHM N#Cc1cc(NC(=O)CCCc2ccc(F)c(F)c2)ccc1-c1nnn[n-]1 ZINC000822822677 606681226 /nfs/dbraw/zinc/68/12/26/606681226.db2.gz BCSOOQKPAYAYBP-UHFFFAOYSA-N -1 3 368.347 2.978 20 30 FFEDHM N#Cc1cc(NC(=O)CCCc2ccc(F)c(F)c2)ccc1-c1nn[n-]n1 ZINC000822822677 606681227 /nfs/dbraw/zinc/68/12/27/606681227.db2.gz BCSOOQKPAYAYBP-UHFFFAOYSA-N -1 3 368.347 2.978 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1nnn[n-]1 ZINC000821787134 606763569 /nfs/dbraw/zinc/76/35/69/606763569.db2.gz OOUSYGVTAUNZEZ-VURMDHGXSA-N -1 3 365.349 2.988 20 30 FFEDHM COc1ccc(C=CC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1nn[n-]n1 ZINC000821787134 606763570 /nfs/dbraw/zinc/76/35/70/606763570.db2.gz OOUSYGVTAUNZEZ-VURMDHGXSA-N -1 3 365.349 2.988 20 30 FFEDHM Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(Cl)c1 ZINC000822234586 606811597 /nfs/dbraw/zinc/81/15/97/606811597.db2.gz AMUUQFQMRHUQNQ-UHFFFAOYSA-N -1 3 352.785 2.881 20 30 FFEDHM Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(Cl)c1 ZINC000822234586 606811599 /nfs/dbraw/zinc/81/15/99/606811599.db2.gz AMUUQFQMRHUQNQ-UHFFFAOYSA-N -1 3 352.785 2.881 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2N(C)C)cc1-c1nnn[n-]1 ZINC000821786616 606977423 /nfs/dbraw/zinc/97/74/23/606977423.db2.gz GPBNNAQCANDSMZ-XBXARRHUSA-N -1 3 367.384 2.977 20 30 FFEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2N(C)C)cc1-c1nn[n-]n1 ZINC000821786616 606977424 /nfs/dbraw/zinc/97/74/24/606977424.db2.gz GPBNNAQCANDSMZ-XBXARRHUSA-N -1 3 367.384 2.977 20 30 FFEDHM N#Cc1cc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1F ZINC000822819128 607003826 /nfs/dbraw/zinc/00/38/26/607003826.db2.gz LIWGQXIIQXCHEV-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM N#Cc1cc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1F ZINC000822819128 607003828 /nfs/dbraw/zinc/00/38/28/607003828.db2.gz LIWGQXIIQXCHEV-UHFFFAOYSA-N -1 3 359.267 2.513 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1ccncc1 ZINC000819743771 607018145 /nfs/dbraw/zinc/01/81/45/607018145.db2.gz PVYUWBKWYGJBJT-HNNXBMFYSA-N -1 3 362.437 2.970 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1ccncc1 ZINC000819743771 607018148 /nfs/dbraw/zinc/01/81/48/607018148.db2.gz PVYUWBKWYGJBJT-HNNXBMFYSA-N -1 3 362.437 2.970 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000820005506 607089385 /nfs/dbraw/zinc/08/93/85/607089385.db2.gz SKBOKNQEABYKOO-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820005506 607089386 /nfs/dbraw/zinc/08/93/86/607089386.db2.gz SKBOKNQEABYKOO-UHFFFAOYSA-N -1 3 363.377 2.639 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)N(CCC#N)c1ccccc1 ZINC000822220564 607125727 /nfs/dbraw/zinc/12/57/27/607125727.db2.gz XCELGAUDZDJOTQ-UHFFFAOYSA-N -1 3 361.409 2.534 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(CCC#N)c1ccccc1 ZINC000822220564 607125729 /nfs/dbraw/zinc/12/57/29/607125729.db2.gz XCELGAUDZDJOTQ-UHFFFAOYSA-N -1 3 361.409 2.534 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@H](C)C(C)(C)C#N ZINC000826175803 607806971 /nfs/dbraw/zinc/80/69/71/607806971.db2.gz QXPXSIBUJOBDFI-GFCCVEGCSA-N -1 3 373.413 2.516 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@H](C)C(C)(C)C#N ZINC000826175803 607806972 /nfs/dbraw/zinc/80/69/72/607806972.db2.gz QXPXSIBUJOBDFI-GFCCVEGCSA-N -1 3 373.413 2.516 20 30 FFEDHM CCn1nccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825806717 607807861 /nfs/dbraw/zinc/80/78/61/607807861.db2.gz BDUBZINFHWIWPK-UHFFFAOYSA-N -1 3 350.308 2.548 20 30 FFEDHM CCn1nccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825806717 607807862 /nfs/dbraw/zinc/80/78/62/607807862.db2.gz BDUBZINFHWIWPK-UHFFFAOYSA-N -1 3 350.308 2.548 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)nnn1-c1ccc(C)cc1 ZINC000826281110 607884845 /nfs/dbraw/zinc/88/48/45/607884845.db2.gz FKLNMNCKTXOJLN-XFXZXTDPSA-N -1 3 371.404 2.960 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)nnn1-c1ccc(C)cc1 ZINC000826281110 607884846 /nfs/dbraw/zinc/88/48/46/607884846.db2.gz FKLNMNCKTXOJLN-XFXZXTDPSA-N -1 3 371.404 2.960 20 30 FFEDHM CCCCc1nc(Cl)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000825296298 607890233 /nfs/dbraw/zinc/89/02/33/607890233.db2.gz CFAICTJMKYNQPE-UHFFFAOYSA-N -1 3 358.837 2.710 20 30 FFEDHM C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824714612 608028619 /nfs/dbraw/zinc/02/86/19/608028619.db2.gz OPYDZKLNGSFLIK-CYBMUJFWSA-N -1 3 363.377 2.616 20 30 FFEDHM C[C@@H](OC(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824714612 608028620 /nfs/dbraw/zinc/02/86/20/608028620.db2.gz OPYDZKLNGSFLIK-CYBMUJFWSA-N -1 3 363.377 2.616 20 30 FFEDHM CC#CCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823942478 608108059 /nfs/dbraw/zinc/10/80/59/608108059.db2.gz CTDZGEKZGQYFFF-UHFFFAOYSA-N -1 3 363.446 2.912 20 30 FFEDHM CC#CCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823942478 608108060 /nfs/dbraw/zinc/10/80/60/608108060.db2.gz CTDZGEKZGQYFFF-UHFFFAOYSA-N -1 3 363.446 2.912 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(C)c(O)c1 ZINC000823909647 608277907 /nfs/dbraw/zinc/27/79/07/608277907.db2.gz MGYKYQSATOALDD-UHFFFAOYSA-N -1 3 363.421 2.638 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(C)c(O)c1 ZINC000823909647 608277908 /nfs/dbraw/zinc/27/79/08/608277908.db2.gz MGYKYQSATOALDD-UHFFFAOYSA-N -1 3 363.421 2.638 20 30 FFEDHM CCOc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825653328 608321841 /nfs/dbraw/zinc/32/18/41/608321841.db2.gz AQUMWZSIJFYBKC-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM CCOc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825653328 608321843 /nfs/dbraw/zinc/32/18/43/608321843.db2.gz AQUMWZSIJFYBKC-UHFFFAOYSA-N -1 3 353.382 2.825 20 30 FFEDHM CCCCCCCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825271973 608340659 /nfs/dbraw/zinc/34/06/59/608340659.db2.gz SMQVRGIMGDAJRD-UHFFFAOYSA-N -1 3 369.466 2.786 20 30 FFEDHM CCCCCCCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825271973 608340661 /nfs/dbraw/zinc/34/06/61/608340661.db2.gz SMQVRGIMGDAJRD-UHFFFAOYSA-N -1 3 369.466 2.786 20 30 FFEDHM CCN(C(=O)Cc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377107 608345279 /nfs/dbraw/zinc/34/52/79/608345279.db2.gz TXEAFQLLBBNIIY-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM CCN(C(=O)Cc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377107 608345280 /nfs/dbraw/zinc/34/52/80/608345280.db2.gz TXEAFQLLBBNIIY-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc3cccnc32)n1 ZINC000826350065 608536061 /nfs/dbraw/zinc/53/60/61/608536061.db2.gz GTLUVUQRDUNPDD-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccnc3ccccc23)n1 ZINC000826350372 608536525 /nfs/dbraw/zinc/53/65/25/608536525.db2.gz SSKNENRMBKIBRG-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cnn(-c3ccccc3)c2)n1 ZINC000826350860 608536577 /nfs/dbraw/zinc/53/65/77/608536577.db2.gz OCIVELKHBCVGSA-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cnn(-c3ccccc3)c2)n1 ZINC000826350860 608536578 /nfs/dbraw/zinc/53/65/78/608536578.db2.gz OCIVELKHBCVGSA-UHFFFAOYSA-N -1 3 365.788 2.547 20 30 FFEDHM CC(=O)Nc1cccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000824004948 608538697 /nfs/dbraw/zinc/53/86/97/608538697.db2.gz HECWWHKOKAUPSG-UHFFFAOYSA-N -1 3 370.804 2.710 20 30 FFEDHM CC(=O)Nc1cccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000824004948 608538699 /nfs/dbraw/zinc/53/86/99/608538699.db2.gz HECWWHKOKAUPSG-UHFFFAOYSA-N -1 3 370.804 2.710 20 30 FFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480683 608878078 /nfs/dbraw/zinc/87/80/78/608878078.db2.gz MBLRYWHRRXTGAH-UQCOIBPSSA-N -1 3 363.352 2.787 20 30 FFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480683 608878079 /nfs/dbraw/zinc/87/80/79/608878079.db2.gz MBLRYWHRRXTGAH-UQCOIBPSSA-N -1 3 363.352 2.787 20 30 FFEDHM CN(C(=O)OC(C)(C)C)C(C)(C)C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000825820528 608882050 /nfs/dbraw/zinc/88/20/50/608882050.db2.gz JDVVBGPKKBLBOT-UHFFFAOYSA-N -1 3 373.461 2.588 20 30 FFEDHM CN(C(=O)OC(C)(C)C)C(C)(C)C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000825820528 608882053 /nfs/dbraw/zinc/88/20/53/608882053.db2.gz JDVVBGPKKBLBOT-UHFFFAOYSA-N -1 3 373.461 2.588 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(C#N)CCCC1 ZINC000824206420 609156303 /nfs/dbraw/zinc/15/63/03/609156303.db2.gz DIWODPKHAWTOIC-MRXNPFEDSA-N -1 3 369.425 2.897 20 30 FFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC1(C#N)CCCC1 ZINC000824206420 609156304 /nfs/dbraw/zinc/15/63/04/609156304.db2.gz DIWODPKHAWTOIC-MRXNPFEDSA-N -1 3 369.425 2.897 20 30 FFEDHM C=CCC[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823894653 609251993 /nfs/dbraw/zinc/25/19/93/609251993.db2.gz VNZBBKUTFVZZIH-ZWKOTPCHSA-N -1 3 363.421 2.724 20 30 FFEDHM C=CCC[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894653 609251994 /nfs/dbraw/zinc/25/19/94/609251994.db2.gz VNZBBKUTFVZZIH-ZWKOTPCHSA-N -1 3 363.421 2.724 20 30 FFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1OC ZINC000826215089 609271688 /nfs/dbraw/zinc/27/16/88/609271688.db2.gz GJKUONDTYXXAMB-VQHVLOKHSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1OC ZINC000826215089 609271689 /nfs/dbraw/zinc/27/16/89/609271689.db2.gz GJKUONDTYXXAMB-VQHVLOKHSA-N -1 3 354.341 2.919 20 30 FFEDHM N#CCN(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CCCC1 ZINC000826382184 609362243 /nfs/dbraw/zinc/36/22/43/609362243.db2.gz RTBGFHZIQHAPJJ-UHFFFAOYSA-N -1 3 361.247 2.897 20 30 FFEDHM N#CCN(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CCCC1 ZINC000826382184 609362245 /nfs/dbraw/zinc/36/22/45/609362245.db2.gz RTBGFHZIQHAPJJ-UHFFFAOYSA-N -1 3 361.247 2.897 20 30 FFEDHM Fc1ccc2c(c1)OCCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826375888 609374345 /nfs/dbraw/zinc/37/43/45/609374345.db2.gz GBDMQLYCPHLDBV-UHFFFAOYSA-N -1 3 352.373 2.672 20 30 FFEDHM Fc1ccc2c(c1)OCCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826375888 609374346 /nfs/dbraw/zinc/37/43/46/609374346.db2.gz GBDMQLYCPHLDBV-UHFFFAOYSA-N -1 3 352.373 2.672 20 30 FFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)SCC(=O)N2 ZINC000823958127 609409623 /nfs/dbraw/zinc/40/96/23/609409623.db2.gz DHIKSZTVXWONAA-UHFFFAOYSA-N -1 3 371.451 2.809 20 30 FFEDHM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc2c1OCO2 ZINC000826178776 609473750 /nfs/dbraw/zinc/47/37/50/609473750.db2.gz MCMSPFSVXGMSKG-UHFFFAOYSA-N -1 3 372.772 2.703 20 30 FFEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc2c1OCO2 ZINC000826178776 609473752 /nfs/dbraw/zinc/47/37/52/609473752.db2.gz MCMSPFSVXGMSKG-UHFFFAOYSA-N -1 3 372.772 2.703 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826162518 609485952 /nfs/dbraw/zinc/48/59/52/609485952.db2.gz GBSCVOAZMDQGTP-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM COCCOc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826162518 609485954 /nfs/dbraw/zinc/48/59/54/609485954.db2.gz GBSCVOAZMDQGTP-UHFFFAOYSA-N -1 3 368.372 2.515 20 30 FFEDHM Cc1ccnc(NCCSCc2ccccc2-c2nnn[n-]2)c1C#N ZINC000826314141 609523630 /nfs/dbraw/zinc/52/36/30/609523630.db2.gz INZDYBYNUSIINY-UHFFFAOYSA-N -1 3 351.439 2.787 20 30 FFEDHM Cc1ccnc(NCCSCc2ccccc2-c2nn[n-]n2)c1C#N ZINC000826314141 609523633 /nfs/dbraw/zinc/52/36/33/609523633.db2.gz INZDYBYNUSIINY-UHFFFAOYSA-N -1 3 351.439 2.787 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)ccc1-c1nnn[n-]1 ZINC000826384288 609585840 /nfs/dbraw/zinc/58/58/40/609585840.db2.gz OVNQXOREKFBIIT-OAHLLOKOSA-N -1 3 374.404 2.885 20 30 FFEDHM N#Cc1cc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)ccc1-c1nn[n-]n1 ZINC000826384288 609585843 /nfs/dbraw/zinc/58/58/43/609585843.db2.gz OVNQXOREKFBIIT-OAHLLOKOSA-N -1 3 374.404 2.885 20 30 FFEDHM COc1ccc2c(c1)CCCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448270 735298271 /nfs/dbraw/zinc/29/82/71/735298271.db2.gz HPMLWYJCLVXKNY-UHFFFAOYSA-N -1 3 358.463 2.898 20 30 FFEDHM CCC(C)(C)CCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744342152 735350503 /nfs/dbraw/zinc/35/05/03/735350503.db2.gz LNTBPALQFPCQQU-ZDUSSCGKSA-N -1 3 366.483 2.873 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CC(=O)Nc2cc(Cl)ccc2Cl)c1[O-] ZINC000005110858 727779848 /nfs/dbraw/zinc/77/98/48/727779848.db2.gz DUZAQAWUKLPDMF-KPSZGOFPSA-N -1 3 368.220 2.952 20 30 FFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(CC)CCC ZINC000746233687 735471566 /nfs/dbraw/zinc/47/15/66/735471566.db2.gz ZPTVGZFSSMPJCV-OAHLLOKOSA-N -1 3 365.499 2.542 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1F ZINC000045284612 728000029 /nfs/dbraw/zinc/00/00/29/728000029.db2.gz RHDYZXVPYSKOLO-DOMZBBRYSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCCC2)ccc1F ZINC000045284507 728000051 /nfs/dbraw/zinc/00/00/51/728000051.db2.gz TXOJIQIBHKBHTP-UHFFFAOYSA-N -1 3 354.447 2.696 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CCC(C)CC2)ccc1F ZINC000045335229 728000989 /nfs/dbraw/zinc/00/09/89/728000989.db2.gz JWPCAWLXWYLCIK-UHFFFAOYSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)CC2)ccc1F ZINC000068784383 728193693 /nfs/dbraw/zinc/19/36/93/728193693.db2.gz LFGDJZFEBXSKQK-CYBMUJFWSA-N -1 3 354.447 2.552 20 30 FFEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])NCCc1ccccc1 ZINC000119659547 728598275 /nfs/dbraw/zinc/59/82/75/728598275.db2.gz CMHILLRUCJGLIN-YBFXNURJSA-N -1 3 361.239 2.933 20 30 FFEDHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)CCO1 ZINC000135325884 728737602 /nfs/dbraw/zinc/73/76/02/728737602.db2.gz UCMLQWARDJMBQB-CQSZACIVSA-N -1 3 357.435 2.584 20 30 FFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000173537247 729049461 /nfs/dbraw/zinc/04/94/61/729049461.db2.gz VOUPYSDRFPRDPO-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](CC(C)C)C2)ccc1F ZINC000174596583 729074483 /nfs/dbraw/zinc/07/44/83/729074483.db2.gz VWRLFHLGJDUHMW-CQSZACIVSA-N -1 3 368.474 2.798 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2C)ccc1F ZINC000175343983 729094062 /nfs/dbraw/zinc/09/40/62/729094062.db2.gz CMWODTBTZBOWGZ-UHFFFAOYSA-N -1 3 366.389 2.990 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2O)ccc1F ZINC000179776416 729194220 /nfs/dbraw/zinc/19/42/20/729194220.db2.gz PIRLIOJVJBAZJQ-UHFFFAOYSA-N -1 3 364.398 2.556 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(Br)c2)cc1 ZINC000193493872 729481010 /nfs/dbraw/zinc/48/10/10/729481010.db2.gz VXYNFGWPXKJOTE-CQSZACIVSA-N -1 3 374.194 2.814 20 30 FFEDHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N1CC(F)(F)C(F)(F)C1 ZINC000640296786 730140440 /nfs/dbraw/zinc/14/04/40/730140440.db2.gz DNBRIPSFANRGOH-UHFFFAOYSA-N -1 3 368.640 2.639 20 30 FFEDHM C=CCCC(C)(C)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000856374413 730330482 /nfs/dbraw/zinc/33/04/82/730330482.db2.gz ZWCHHWWAMCZXKA-GFCCVEGCSA-N -1 3 373.906 2.653 20 30 FFEDHM N#Cc1ccncc1N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862374575 730694009 /nfs/dbraw/zinc/69/40/09/730694009.db2.gz OEKOWQOMBNURQH-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647368304 730739066 /nfs/dbraw/zinc/73/90/66/730739066.db2.gz SXFQUKBAJUKCJI-YCPHGPKFSA-N -1 3 350.484 2.694 20 30 FFEDHM O=C(Cc1coc2c1ccc(Cl)c2Cl)N[C@@H]1CCCN([O-])C1=O ZINC000868562600 731305490 /nfs/dbraw/zinc/30/54/90/731305490.db2.gz IYUMQJJQFPUVTQ-LLVKDONJSA-N -1 3 357.193 2.779 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCOCC1 ZINC000885840646 733716655 /nfs/dbraw/zinc/71/66/55/733716655.db2.gz KMOQAGQMTBDNHZ-UHFFFAOYSA-N -1 3 362.476 2.661 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)cc1 ZINC000728766655 734542882 /nfs/dbraw/zinc/54/28/82/734542882.db2.gz FDJKPNIACVBJGT-CQSZACIVSA-N -1 3 356.403 2.791 20 30 FFEDHM COCCC(Cc1cccc(F)c1)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000729141823 734561537 /nfs/dbraw/zinc/56/15/37/734561537.db2.gz HGGAMYDAQSMQLF-UHFFFAOYSA-N -1 3 364.442 2.880 20 30 FFEDHM COc1cc(C=NNCCC(=O)OC(C)(C)C)cc(Br)c1[O-] ZINC000783868851 738844196 /nfs/dbraw/zinc/84/41/96/738844196.db2.gz KZHVUDTWIJAJNZ-UHFFFAOYSA-N -1 3 373.247 2.819 20 30 FFEDHM C#CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000733883383 734856280 /nfs/dbraw/zinc/85/62/80/734856280.db2.gz CSJYCYUDAXMWRN-UHFFFAOYSA-N -1 3 360.410 2.768 20 30 FFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccncc1 ZINC000734505190 734900987 /nfs/dbraw/zinc/90/09/87/734900987.db2.gz ZWPKPPFCANNSCA-CQSZACIVSA-N -1 3 363.395 2.594 20 30 FFEDHM O=C1[C@@H](NCc2csc(COc3ccc(Cl)cc3)n2)CCCN1[O-] ZINC000895167137 734970579 /nfs/dbraw/zinc/97/05/79/734970579.db2.gz UUISXGKTTWXSFJ-AWEZNQCLSA-N -1 3 367.858 2.845 20 30 FFEDHM O=C(C[C@H]1CCS(=O)(=O)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380073 735772228 /nfs/dbraw/zinc/77/22/28/735772228.db2.gz MBJYXXXYGSLDQN-SECBINFHSA-N -1 3 352.239 2.536 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(Cl)nc(N(C)C)c3)nc1-2 ZINC000750724521 735812219 /nfs/dbraw/zinc/81/22/19/735812219.db2.gz NQMAFUGNGAKIIU-LLVKDONJSA-N -1 3 354.801 2.871 20 30 FFEDHM C#CC[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC000750778311 735814625 /nfs/dbraw/zinc/81/46/25/735814625.db2.gz NEXQBEDUMUQPSM-HNNXBMFYSA-N -1 3 367.442 2.861 20 30 FFEDHM N#CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000901770938 735836204 /nfs/dbraw/zinc/83/62/04/735836204.db2.gz FIUDGVQQSBLGKX-SNVBAGLBSA-N -1 3 371.262 2.700 20 30 FFEDHM C=C(C)COc1cc(CN2CCSC[C@H](C(=O)[O-])C2)ccc1OC ZINC000901891058 735860814 /nfs/dbraw/zinc/86/08/14/735860814.db2.gz QNDUBTIIVGTERS-OAHLLOKOSA-N -1 3 351.468 2.900 20 30 FFEDHM CS(=O)(=O)CC[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000904173451 736230242 /nfs/dbraw/zinc/23/02/42/736230242.db2.gz MRTZUTFMYYZRQK-QGZVFWFLSA-N -1 3 365.426 2.762 20 30 FFEDHM CS(=O)(=O)Cc1ccc(C(=O)N([O-])CCCCc2ccccc2)o1 ZINC000904196945 736232753 /nfs/dbraw/zinc/23/27/53/736232753.db2.gz LMBSUQDMNCMDRE-UHFFFAOYSA-N -1 3 351.424 2.679 20 30 FFEDHM CCc1nc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cs1 ZINC000755543924 736260472 /nfs/dbraw/zinc/26/04/72/736260472.db2.gz VORBCOASHXNAAT-CYBMUJFWSA-N -1 3 373.463 2.980 20 30 FFEDHM COc1cc(C=NOCC(F)F)cc(I)c1[O-] ZINC000758906190 736530831 /nfs/dbraw/zinc/53/08/31/736530831.db2.gz CBINVOGBRNZDGW-UHFFFAOYSA-N -1 3 357.094 2.621 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1nc2ccc(F)cc2s1 ZINC000761809527 736762771 /nfs/dbraw/zinc/76/27/71/736762771.db2.gz ITAXCCCKCVFYGH-UHFFFAOYSA-N -1 3 363.439 2.931 20 30 FFEDHM C=C(Cl)C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000909094980 736883419 /nfs/dbraw/zinc/88/34/19/736883419.db2.gz QTBDGKALHXRYSL-KBMXLJTQSA-N -1 3 365.861 2.544 20 30 FFEDHM N#CC1(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)CCSCC1 ZINC000909757512 736975967 /nfs/dbraw/zinc/97/59/67/736975967.db2.gz UREXCTRZTCXJBT-UHFFFAOYSA-N -1 3 355.419 2.929 20 30 FFEDHM COc1cc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)ccc1F ZINC000765581165 737135506 /nfs/dbraw/zinc/13/55/06/737135506.db2.gz OATGTLMVSJEWAV-UHFFFAOYSA-N -1 3 350.415 2.720 20 30 FFEDHM O=C(C1CC1)N1CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000912782349 737337974 /nfs/dbraw/zinc/33/79/74/737337974.db2.gz LUELDWBWJAQRAD-ZDLGFXPLSA-N -1 3 351.244 2.975 20 30 FFEDHM N#Cc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c(Cl)c1 ZINC000769195985 737506452 /nfs/dbraw/zinc/50/64/52/737506452.db2.gz BRZOYEMHWYGTSW-UHFFFAOYSA-N -1 3 357.797 2.585 20 30 FFEDHM CCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cc(Cl)ccc1OC ZINC000769816285 737570046 /nfs/dbraw/zinc/57/00/46/737570046.db2.gz DONGFGKCRAHVIW-UHFFFAOYSA-N -1 3 360.805 2.957 20 30 FFEDHM COc1cc(C=NNc2ccc(F)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1[O-] ZINC000769830020 737571370 /nfs/dbraw/zinc/57/13/70/737571370.db2.gz WJBQPEUKWCKHDX-UHFFFAOYSA-N -1 3 350.262 2.802 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C)cc2)ccc1F ZINC000914658835 737587465 /nfs/dbraw/zinc/58/74/65/737587465.db2.gz JAAANCBBSBELIM-UHFFFAOYSA-N -1 3 363.410 2.955 20 30 FFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000770389701 737621502 /nfs/dbraw/zinc/62/15/02/737621502.db2.gz CEYHHUVZGDMYGO-SECBINFHSA-N -1 3 350.318 2.694 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cn1 ZINC000916937609 737733146 /nfs/dbraw/zinc/73/31/46/737733146.db2.gz HYBANXNRZIRKLS-GFCCVEGCSA-N -1 3 359.769 2.713 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C)n1 ZINC000917520469 737762038 /nfs/dbraw/zinc/76/20/38/737762038.db2.gz IIULVZFGEDLIGP-NSHDSACASA-N -1 3 360.801 2.660 20 30 FFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1cc(F)c(F)cc1F ZINC000774386871 737985933 /nfs/dbraw/zinc/98/59/33/737985933.db2.gz KCCBFFURZIKMNI-UHFFFAOYSA-N -1 3 354.219 2.920 20 30 FFEDHM C=CCCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000790453223 739456193 /nfs/dbraw/zinc/45/61/93/739456193.db2.gz SUBMMDALCIMSHV-UHFFFAOYSA-N -1 3 352.225 2.841 20 30 FFEDHM C=CC[C@@H](CC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000798552378 740341344 /nfs/dbraw/zinc/34/13/44/740341344.db2.gz YVBSUQOWOYWVIT-CYBMUJFWSA-N -1 3 356.463 2.987 20 30 FFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000805103716 740938855 /nfs/dbraw/zinc/93/88/55/740938855.db2.gz AXTOFBFJUANNNY-UHFFFAOYSA-N -1 3 369.878 2.935 20 30 FFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000805103716 740938858 /nfs/dbraw/zinc/93/88/58/740938858.db2.gz AXTOFBFJUANNNY-UHFFFAOYSA-N -1 3 369.878 2.935 20 30 FFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1SCc1cscn1 ZINC000816760429 742059261 /nfs/dbraw/zinc/05/92/61/742059261.db2.gz RCFAKGAFOOZZNR-CYBMUJFWSA-N -1 3 363.464 2.545 20 30 FFEDHM COc1cc(-c2noc([C@H](N)CCCC#N)n2)cc(Br)c1[O-] ZINC000823074690 742827693 /nfs/dbraw/zinc/82/76/93/742827693.db2.gz GFKKQHWUVZVQFI-SNVBAGLBSA-N -1 3 367.203 2.907 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823893944 742996851 /nfs/dbraw/zinc/99/68/51/742996851.db2.gz BUYYLVHLHISHPF-JTQLQIEISA-N -1 3 355.851 2.543 20 30 FFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823893944 742996858 /nfs/dbraw/zinc/99/68/58/742996858.db2.gz BUYYLVHLHISHPF-JTQLQIEISA-N -1 3 355.851 2.543 20 30 FFEDHM Cc1cc([O-])c(CN2CCN(c3nccnc3C#N)C[C@H]2C)cc1Cl ZINC000824927957 743180545 /nfs/dbraw/zinc/18/05/45/743180545.db2.gz SAJUUKOHAORWNH-CYBMUJFWSA-N -1 3 357.845 2.726 20 30 FFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000829700024 745247011 /nfs/dbraw/zinc/24/70/11/745247011.db2.gz MIPVAKRMDKKXBR-SECBINFHSA-N -1 3 366.668 2.714 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2ccccc2Br)c1[O-] ZINC000840709085 747163830 /nfs/dbraw/zinc/16/38/30/747163830.db2.gz HFXZWABUYZSQQK-WVSFHRMVSA-N -1 3 365.227 2.503 20 30 FFEDHM C[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000842290840 747564760 /nfs/dbraw/zinc/56/47/60/747564760.db2.gz TWMKBCSFBFCMFJ-QWRGUYRKSA-N -1 3 350.802 2.965 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)CC1 ZINC000908946941 939360620 /nfs/dbraw/zinc/36/06/20/939360620.db2.gz XYHRLVVYZNHDLU-HXUWFJFHSA-N -1 3 359.470 2.716 20 30 FFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000735437641 944650139 /nfs/dbraw/zinc/65/01/39/944650139.db2.gz NEARWYWSUYKISS-UHFFFAOYSA-N -1 3 367.434 2.835 20 30 FFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000735437641 944650144 /nfs/dbraw/zinc/65/01/44/944650144.db2.gz NEARWYWSUYKISS-UHFFFAOYSA-N -1 3 367.434 2.835 20 30 FFEDHM C#CCSCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001573288495 946868116 /nfs/dbraw/zinc/86/81/16/946868116.db2.gz LQVIVEAUDJFWGA-UHFFFAOYSA-N -1 3 363.446 2.766 20 30 FFEDHM C#CCSCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001573288495 946868129 /nfs/dbraw/zinc/86/81/29/946868129.db2.gz LQVIVEAUDJFWGA-UHFFFAOYSA-N -1 3 363.446 2.766 20 30 FFEDHM CC(=O)c1cc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC001573554095 946892898 /nfs/dbraw/zinc/89/28/98/946892898.db2.gz MHOTUSZLOOXKIX-MRXNPFEDSA-N -1 3 374.404 2.699 20 30 FFEDHM CC(=O)c1cc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC001573554095 946892908 /nfs/dbraw/zinc/89/29/08/946892908.db2.gz MHOTUSZLOOXKIX-MRXNPFEDSA-N -1 3 374.404 2.699 20 30 FFEDHM C=C(CC)CNC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001573294568 946992686 /nfs/dbraw/zinc/99/26/86/946992686.db2.gz ICLQTNSXSQLHLK-UHFFFAOYSA-N -1 3 356.308 2.853 20 30 FFEDHM C=C(CC)CNC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001573294568 946992689 /nfs/dbraw/zinc/99/26/89/946992689.db2.gz ICLQTNSXSQLHLK-UHFFFAOYSA-N -1 3 356.308 2.853 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC001573296669 947052433 /nfs/dbraw/zinc/05/24/33/947052433.db2.gz VXTJXBRNNVCQFK-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=C1CCC(CNS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC001573296669 947052440 /nfs/dbraw/zinc/05/24/40/947052440.db2.gz VXTJXBRNNVCQFK-UHFFFAOYSA-N -1 3 367.862 2.545 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573306486 947171544 /nfs/dbraw/zinc/17/15/44/947171544.db2.gz KUOLUGPAOOBOLB-UGSOOPFHSA-N -1 3 374.514 2.611 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573315987 947263443 /nfs/dbraw/zinc/26/34/43/947263443.db2.gz RNFPXYXMTWYBQW-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573315987 947263452 /nfs/dbraw/zinc/26/34/52/947263452.db2.gz RNFPXYXMTWYBQW-ZFWWWQNUSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573318972 947319486 /nfs/dbraw/zinc/31/94/86/947319486.db2.gz IFVSPKBYDPPZJS-OAHLLOKOSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCC(C)(C)C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573318972 947319497 /nfs/dbraw/zinc/31/94/97/947319497.db2.gz IFVSPKBYDPPZJS-OAHLLOKOSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CCCCN(CC)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001573334956 947467684 /nfs/dbraw/zinc/46/76/84/947467684.db2.gz JZILNMPXSBWFIW-KRWDZBQOSA-N -1 3 354.458 2.650 20 30 FFEDHM C=CCc1cc(OC)ccc1OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001573348410 947584440 /nfs/dbraw/zinc/58/44/40/947584440.db2.gz QFKPLKNOLSHCAX-UHFFFAOYSA-N -1 3 371.784 2.871 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475863 948378298 /nfs/dbraw/zinc/37/82/98/948378298.db2.gz UARTXQKODQMFPW-BJMVGYQFSA-N -1 3 367.296 2.573 20 30 FFEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475863 948378308 /nfs/dbraw/zinc/37/83/08/948378308.db2.gz UARTXQKODQMFPW-BJMVGYQFSA-N -1 3 367.296 2.573 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001535493390 948545946 /nfs/dbraw/zinc/54/59/46/948545946.db2.gz VHJVVCXDSYTGOP-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001535493390 948545952 /nfs/dbraw/zinc/54/59/52/948545952.db2.gz VHJVVCXDSYTGOP-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM C=CCCCN(CC)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000890814185 960593369 /nfs/dbraw/zinc/59/33/69/960593369.db2.gz XTPAUIPIBVWAAZ-UHFFFAOYSA-N -1 3 354.454 2.888 20 30 FFEDHM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nnc2n1CCCCC2 ZINC000255110079 961354316 /nfs/dbraw/zinc/35/43/16/961354316.db2.gz FSHUHUUSQUZMME-VSKVDJIOSA-N -1 3 350.378 2.623 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000121768324 966188810 /nfs/dbraw/zinc/18/88/10/966188810.db2.gz BGSVHRIFJZGUBE-MRXNPFEDSA-N -1 3 353.334 2.873 20 30 FFEDHM C#C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000185288449 967707092 /nfs/dbraw/zinc/70/70/92/967707092.db2.gz RQXBRWRHDITLNG-AWEZNQCLSA-N -1 3 372.446 2.556 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C)n1 ZINC000177600264 969279915 /nfs/dbraw/zinc/27/99/15/969279915.db2.gz XOQYMEWOINMXIC-CYBMUJFWSA-N -1 3 354.410 2.903 20 30 FFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(CN4CCOCC4)o3)nc21 ZINC000892706314 970165583 /nfs/dbraw/zinc/16/55/83/970165583.db2.gz USRDWTVUTNTQIO-HNNXBMFYSA-N -1 3 364.405 2.787 20 30 FFEDHM C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2CC)cc1 ZINC000985229869 973298081 /nfs/dbraw/zinc/29/80/81/973298081.db2.gz OATSJIJYWCTAPZ-RBUKOAKNSA-N -1 3 362.429 2.797 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000661413530 974253295 /nfs/dbraw/zinc/25/32/95/974253295.db2.gz DVEKISALVZXEAW-FUHWJXTLSA-N -1 3 371.481 2.995 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121784982 979628992 /nfs/dbraw/zinc/62/89/92/979628992.db2.gz IXDNCGNKJBAISB-MRXNPFEDSA-N -1 3 353.334 2.873 20 30 FFEDHM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N([O-])Cc1cccc2ccccc21 ZINC000904171150 980206822 /nfs/dbraw/zinc/20/68/22/980206822.db2.gz JQVGAXPWRSKCIR-HDICACEKSA-N -1 3 364.401 2.509 20 30 FFEDHM O=C(c1ccccc1O)N1CCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175518 980207102 /nfs/dbraw/zinc/20/71/02/980207102.db2.gz UNRZTBTVIDIOSF-MRXNPFEDSA-N -1 3 358.369 2.554 20 30 FFEDHM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000666587505 981013658 /nfs/dbraw/zinc/01/36/58/981013658.db2.gz JBTSQHHHOJKEDN-KRWDZBQOSA-N -1 3 368.437 2.821 20 30 FFEDHM C=CCCC[C@H](NC(=O)NC[C@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908808841 981542006 /nfs/dbraw/zinc/54/20/06/981542006.db2.gz FFTIKSZWHSUJQS-OALUTQOASA-N -1 3 373.497 2.932 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)CC1 ZINC000908946889 981575889 /nfs/dbraw/zinc/57/58/89/981575889.db2.gz VWKOOXJGUBNKIT-MRXNPFEDSA-N -1 3 359.470 2.884 20 30 FFEDHM CC(C)(C)OC(=O)NCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000760358969 982375941 /nfs/dbraw/zinc/37/59/41/982375941.db2.gz RJHGWRLWQLBZSV-HNNXBMFYSA-N -1 3 352.394 2.991 20 30 FFEDHM COCc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)o1 ZINC000764661412 984618027 /nfs/dbraw/zinc/61/80/27/984618027.db2.gz YWEXEMFEGVTHSI-HNNXBMFYSA-N -1 3 372.406 2.701 20 30 FFEDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCCC1(C#N)CCOCC1 ZINC001594568714 986373870 /nfs/dbraw/zinc/37/38/70/986373870.db2.gz KLUKTZRUVYNSBL-KRWDZBQOSA-N -1 3 371.481 2.996 20 30 FFEDHM O=C(Nc1ccc(COc2ccccc2)cc1)N[C@H]1CCCN([O-])C1=O ZINC000879102842 1015364120 /nfs/dbraw/zinc/36/41/20/1015364120.db2.gz FWNWHZIBVULFCN-KRWDZBQOSA-N -1 3 355.394 2.767 20 30 FFEDHM O=C(NC1CC1)c1cc(F)c([N-]N=C2C(=O)Nc3ccccc32)c(F)c1 ZINC000763183178 989181893 /nfs/dbraw/zinc/18/18/93/989181893.db2.gz OYBNSWIVJRMRCV-UHFFFAOYSA-N -1 3 356.332 2.625 20 30 FFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(C(=O)OC)c1 ZINC000916925609 990029502 /nfs/dbraw/zinc/02/95/02/990029502.db2.gz PYFBIKWQXWPVAJ-OAHLLOKOSA-N -1 3 366.373 2.833 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2nn(-c3ccccc3)c3c2CCC3)c1[O-] ZINC000917559605 990239550 /nfs/dbraw/zinc/23/95/50/990239550.db2.gz QZWUFGHNQMSDGH-JJFYIABZSA-N -1 3 362.433 2.881 20 30 FFEDHM C=C1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)CC1 ZINC000994554437 990334275 /nfs/dbraw/zinc/33/42/75/990334275.db2.gz CEMJKZLNCKFDHC-NVXWUHKLSA-N -1 3 356.466 2.963 20 30 FFEDHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879505803 1015567266 /nfs/dbraw/zinc/56/72/66/1015567266.db2.gz JQXQISFBDRLKET-HNNXBMFYSA-N -1 3 358.373 2.698 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)n[n-]2)o1 ZINC000919327827 990614580 /nfs/dbraw/zinc/61/45/80/990614580.db2.gz LEHFXNGNJZGINR-UHFFFAOYSA-N -1 3 368.349 2.855 20 30 FFEDHM COc1ccc(C#N)cc1CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001079432411 992111145 /nfs/dbraw/zinc/11/11/45/992111145.db2.gz JVTBOEHKKWURDX-RDTXWAMCSA-N -1 3 365.433 2.523 20 30 FFEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCOC2=O)cc1 ZINC001593196485 994154442 /nfs/dbraw/zinc/15/44/42/994154442.db2.gz UVIKNEFNWZDOBE-ACJLOTCBSA-N -1 3 365.389 2.991 20 30 FFEDHM C[C@H]1CCCN(c2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)ccn2)C1 ZINC000813061184 995608062 /nfs/dbraw/zinc/60/80/62/995608062.db2.gz DLQXSBDQAUQRMK-GOEBONIOSA-N -1 3 363.421 2.674 20 30 FFEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)o1 ZINC000128804545 1016150750 /nfs/dbraw/zinc/15/07/50/1016150750.db2.gz ZFVQXBVGFSSEGY-INIZCTEOSA-N -1 3 367.405 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@](C)(O)c1ccccc1 ZINC000846423681 1000301176 /nfs/dbraw/zinc/30/11/76/1000301176.db2.gz YONXMVZIGJXGSX-QVKFZJNVSA-N -1 3 367.449 2.621 20 30 FFEDHM COc1cc(C(C)N=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)ccc1O ZINC000769810960 1000610496 /nfs/dbraw/zinc/61/04/96/1000610496.db2.gz WIRFEAJERTVNKD-UHFFFAOYSA-N -1 3 370.413 2.837 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001109597160 1000703243 /nfs/dbraw/zinc/70/32/43/1000703243.db2.gz BFTFJICQWGHMRQ-IKGGRYGDSA-N -1 3 370.497 2.883 20 30 FFEDHM Cc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)c(-n2cc(Cl)cn2)n1 ZINC000787139425 1001668163 /nfs/dbraw/zinc/66/81/63/1001668163.db2.gz SLEIQBDDSXKTDP-ZBKNUEDVSA-N -1 3 371.828 2.750 20 30 FFEDHM C=C(Cl)CN1C[C@@H]2CN(C(=O)c3cc(=O)c4ccccc4[n-]3)C[C@]2(C)C1 ZINC001091831061 1001916506 /nfs/dbraw/zinc/91/65/06/1001916506.db2.gz GYCSWLLDZUUNMK-VLIAUNLRSA-N -1 3 371.868 2.675 20 30 FFEDHM CCOC(=O)[C@@H](CC)[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000789466276 1002090784 /nfs/dbraw/zinc/09/07/84/1002090784.db2.gz QCVALCWYKIKLKQ-KBPBESRZSA-N -1 3 362.426 2.729 20 30 FFEDHM O=C([N-][C@H](CO)C(F)(F)F)[C@H](c1c[nH]c2cc(F)ccc21)C(F)(F)F ZINC001183514911 1002288585 /nfs/dbraw/zinc/28/85/85/1002288585.db2.gz VLRKKRLLWKHXPX-MNOVXSKESA-N -1 3 372.240 2.992 20 30 FFEDHM COc1c([O-])c(CN=Nc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000773053960 1002614508 /nfs/dbraw/zinc/61/45/08/1002614508.db2.gz GJYGMZLWMMMZEU-UHFFFAOYSA-N -1 3 355.310 2.805 20 30 FFEDHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1n[nH]c(-c2cccc(C#N)c2)n1 ZINC001184482483 1002630809 /nfs/dbraw/zinc/63/08/09/1002630809.db2.gz OAJUIUXZYJURPF-UHFFFAOYSA-N -1 3 371.360 2.954 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)OC ZINC001184539539 1002639626 /nfs/dbraw/zinc/63/96/26/1002639626.db2.gz XRFLHZDBKRFAPV-CQSZACIVSA-N -1 3 366.266 2.921 20 30 FFEDHM N#Cc1ccc(F)cc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001096824376 1016655726 /nfs/dbraw/zinc/65/57/26/1016655726.db2.gz ZBVHWVFMWRDYKQ-QRQLOZEOSA-N -1 3 365.408 2.938 20 30 FFEDHM CCOC(=O)[C@@H](C#N)[N-]c1c(OC)cc(C(=O)OC(C)(C)C)cc1OC ZINC001170370892 1003127665 /nfs/dbraw/zinc/12/76/65/1003127665.db2.gz LRKNLCHVFWGKTL-GFCCVEGCSA-N -1 3 364.398 2.526 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1cccnc1Oc1ccccc1 ZINC001192709957 1004254163 /nfs/dbraw/zinc/25/41/63/1004254163.db2.gz WTYIFXXZQVYHES-UHFFFAOYSA-N -1 3 363.333 2.809 20 30 FFEDHM CN(C)CCSc1nc(CC(=O)Nc2cc(C#N)ccc2[O-])cs1 ZINC001137934284 1004310831 /nfs/dbraw/zinc/31/08/31/1004310831.db2.gz QFNDTNDRTVNZEH-UHFFFAOYSA-N -1 3 362.480 2.555 20 30 FFEDHM N#CCS(=O)(=O)[N-]c1c(F)cc(Br)cc1Br ZINC001192972420 1004344222 /nfs/dbraw/zinc/34/42/22/1004344222.db2.gz XUIRHWQXRXMWNZ-UHFFFAOYSA-N -1 3 372.013 2.616 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)n(Cc2cccc(C(F)(F)F)c2)n1 ZINC001193112108 1004377361 /nfs/dbraw/zinc/37/73/61/1004377361.db2.gz OLYSNDHAXFXCPV-LLVKDONJSA-N -1 3 372.372 2.912 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccncc1OC(F)(F)F ZINC001198246911 1004549809 /nfs/dbraw/zinc/54/98/09/1004549809.db2.gz MBJXTCKDUSGOSE-UHFFFAOYSA-N -1 3 371.296 2.952 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)C(F)F)cn1 ZINC001194052387 1004640912 /nfs/dbraw/zinc/64/09/12/1004640912.db2.gz ARQYVXDWAAXWLW-CYBMUJFWSA-N -1 3 357.769 2.891 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cn(CC(C)C)cn2)c(C)c1[O-] ZINC001198576389 1004665400 /nfs/dbraw/zinc/66/54/00/1004665400.db2.gz WRZFOWNPXSLUET-UHFFFAOYSA-N -1 3 370.409 2.854 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ncc(OC)cc2C)c(C)c1[O-] ZINC001199756347 1005020830 /nfs/dbraw/zinc/02/08/30/1005020830.db2.gz NQNWIVWPGWVJJZ-UHFFFAOYSA-N -1 3 369.377 2.713 20 30 FFEDHM N#Cc1ccc(Br)c(NS(=O)(=O)c2ccc([O-])cc2)c1 ZINC001195811228 1005049582 /nfs/dbraw/zinc/04/95/82/1005049582.db2.gz TVAJPNQTIFUPEN-UHFFFAOYSA-N -1 3 353.197 2.827 20 30 FFEDHM O=S(=O)([N-]CC#Cc1ccccc1)c1cccc(F)c1Br ZINC001201789470 1005273876 /nfs/dbraw/zinc/27/38/76/1005273876.db2.gz AOHXNSMKYNENFE-UHFFFAOYSA-N -1 3 368.227 2.918 20 30 FFEDHM N#Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC001187980447 1006349797 /nfs/dbraw/zinc/34/97/97/1006349797.db2.gz ZZJNWPSKFOQUMI-UHFFFAOYSA-N -1 3 356.234 2.781 20 30 FFEDHM CCCn1nccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000853272752 1006355697 /nfs/dbraw/zinc/35/56/97/1006355697.db2.gz ZAQRPPRZDCTWJB-HNNXBMFYSA-N -1 3 370.438 2.568 20 30 FFEDHM CCCn1nccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000853272753 1006356139 /nfs/dbraw/zinc/35/61/39/1006356139.db2.gz ZAQRPPRZDCTWJB-OAHLLOKOSA-N -1 3 370.438 2.568 20 30 FFEDHM Cc1noc([N-]C(=O)c2cc(=O)c(OCc3ccccc3)co2)c1C#N ZINC001188117420 1006418903 /nfs/dbraw/zinc/41/89/03/1006418903.db2.gz YVWCGIWVBAHILD-UHFFFAOYSA-N -1 3 351.318 2.639 20 30 FFEDHM C[C@@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)c2cc([O-])cc(C#N)c2)C1=O ZINC000815234208 1006548065 /nfs/dbraw/zinc/54/80/65/1006548065.db2.gz YGJSYOTUWBPYJY-SGTLLEGYSA-N -1 3 368.364 2.922 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@H](NC(=O)c1c[n-]c3cc(F)c(F)cc3c1=O)C2 ZINC001152566194 1032192670 /nfs/dbraw/zinc/19/26/70/1032192670.db2.gz UOUYZOJHYFSDLE-CYBMUJFWSA-N -1 3 365.339 2.575 20 30 FFEDHM C=CC[C@@](C)([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)C(=O)OC ZINC001189563674 1007148939 /nfs/dbraw/zinc/14/89/39/1007148939.db2.gz OAKCFXULFCVIOU-CQSZACIVSA-N -1 3 365.373 2.633 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC1(C#N)CCOCC1 ZINC000800120138 1007174453 /nfs/dbraw/zinc/17/44/53/1007174453.db2.gz KKPHKZMPUZENJF-UHFFFAOYSA-N -1 3 371.437 2.852 20 30 FFEDHM O=S(=O)([N-]c1c(F)c(F)c(F)c(F)c1F)c1ncc(F)cc1F ZINC001190173688 1007504207 /nfs/dbraw/zinc/50/42/07/1007504207.db2.gz PVBQZTSAVXGNON-UHFFFAOYSA-N -1 3 360.210 2.856 20 30 FFEDHM N#Cc1cccc(C2([N-]C(=O)C(F)(F)c3nccs3)CCOCC2)c1 ZINC000855873975 1007613703 /nfs/dbraw/zinc/61/37/03/1007613703.db2.gz GPTXPLJDOUIUGR-UHFFFAOYSA-N -1 3 363.389 2.929 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)c1 ZINC001190660824 1007721334 /nfs/dbraw/zinc/72/13/34/1007721334.db2.gz GAEDYJKALOGAPL-UHFFFAOYSA-N -1 3 359.426 2.776 20 30 FFEDHM C=CCC1(S(=O)(=O)[N-]c2ncc(Cl)nc2Br)CC1 ZINC001190773141 1007776832 /nfs/dbraw/zinc/77/68/32/1007776832.db2.gz VDXVEZHDKFGKQG-UHFFFAOYSA-N -1 3 352.641 2.743 20 30 FFEDHM CCCOc1nc2ccccc2cc1/C=C/C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820471404 1008338837 /nfs/dbraw/zinc/33/88/37/1008338837.db2.gz VDNQSPULNRCGNK-FVNWOWOISA-N -1 3 369.421 2.533 20 30 FFEDHM CO/N=C(\C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-])c1ccco1 ZINC001177353584 1008589904 /nfs/dbraw/zinc/58/99/04/1008589904.db2.gz RANJLJJFJKTLSS-HKWRFOASSA-N -1 3 360.366 2.930 20 30 FFEDHM N#Cc1cc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])ccn1 ZINC001177672570 1008699805 /nfs/dbraw/zinc/69/98/05/1008699805.db2.gz MJQWIEWXDUBTBX-UHFFFAOYSA-N -1 3 352.781 2.719 20 30 FFEDHM C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1c([O-])cccc1F ZINC000886598476 1008765498 /nfs/dbraw/zinc/76/54/98/1008765498.db2.gz BJPIXBRHHNPLQR-SUMWQHHRSA-N -1 3 353.397 2.855 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001178887635 1009167937 /nfs/dbraw/zinc/16/79/37/1009167937.db2.gz JEAUIHXFICNUBL-CHWSQXEVSA-N -1 3 363.389 2.797 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000126048917 1009212029 /nfs/dbraw/zinc/21/20/29/1009212029.db2.gz XPFBTCUJFZUIBY-GOSISDBHSA-N -1 3 363.461 2.887 20 30 FFEDHM C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182703 1009273129 /nfs/dbraw/zinc/27/31/29/1009273129.db2.gz IFCCGJBMJBSGTL-MRVPVSSYSA-N -1 3 355.345 2.930 20 30 FFEDHM CC(=O)c1ccc(Nc2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000861828221 1009575873 /nfs/dbraw/zinc/57/58/73/1009575873.db2.gz PLGIUGPKDLZFQP-GOSISDBHSA-N -1 3 367.405 2.743 20 30 FFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)ccc1[O-] ZINC001180336266 1009636925 /nfs/dbraw/zinc/63/69/25/1009636925.db2.gz QRBOVWGFAWAFPV-INIZCTEOSA-N -1 3 351.362 2.866 20 30 FFEDHM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001275351418 1012348816 /nfs/dbraw/zinc/34/88/16/1012348816.db2.gz QBOKTKHXRFOZHO-AWEZNQCLSA-N -1 3 363.408 2.692 20 30 FFEDHM Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)n1 ZINC001053641987 1018396395 /nfs/dbraw/zinc/39/63/95/1018396395.db2.gz YYQWSDKVMQMSJV-CZUORRHYSA-N -1 3 350.422 2.788 20 30 FFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800492779 1020355302 /nfs/dbraw/zinc/35/53/02/1020355302.db2.gz OQXQIJSBMTUGDS-CYBMUJFWSA-N -1 3 353.357 2.708 20 30 FFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1C#N ZINC000800523180 1020383532 /nfs/dbraw/zinc/38/35/32/1020383532.db2.gz TZNJYZRYLIFMOV-UHFFFAOYSA-N -1 3 368.328 2.789 20 30 FFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc(Cl)n1 ZINC000778605023 1022151782 /nfs/dbraw/zinc/15/17/82/1022151782.db2.gz GFFSGAZEBXEJMV-CYBMUJFWSA-N -1 3 371.780 2.776 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000275779706 1022364582 /nfs/dbraw/zinc/36/45/82/1022364582.db2.gz ZRVOIDXWZDLLHJ-CQWYDTSVSA-N -1 3 363.458 2.843 20 30 FFEDHM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1nnc(-c2ccccc2)n1C ZINC000750933903 1022731465 /nfs/dbraw/zinc/73/14/65/1022731465.db2.gz BMEKDRFJTOYBEQ-UHFFFAOYSA-N -1 3 350.357 2.698 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001122401018 1023245844 /nfs/dbraw/zinc/24/58/44/1023245844.db2.gz YBVZCCUOQLKXPN-UHFFFAOYSA-N -1 3 373.770 2.992 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001122401018 1023245848 /nfs/dbraw/zinc/24/58/48/1023245848.db2.gz YBVZCCUOQLKXPN-UHFFFAOYSA-N -1 3 373.770 2.992 20 30 FFEDHM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001122449613 1023277159 /nfs/dbraw/zinc/27/71/59/1023277159.db2.gz UJQAJXWWGVYFJA-SFHVURJKSA-N -1 3 365.433 2.904 20 30 FFEDHM C=CCC[C@H]1CCCN1c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCCO1 ZINC001122811282 1023487546 /nfs/dbraw/zinc/48/75/46/1023487546.db2.gz OKSOAWYZTSXJEQ-KBPBESRZSA-N -1 3 359.430 2.753 20 30 FFEDHM N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC001141464166 1026351562 /nfs/dbraw/zinc/35/15/62/1026351562.db2.gz ZASDKLSCJLSEKW-INIZCTEOSA-N -1 3 369.352 2.600 20 30 FFEDHM O=C(CCc1ccccc1F)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161798130 1028315464 /nfs/dbraw/zinc/31/54/64/1028315464.db2.gz UZLVEIHOPIQVEK-UHFFFAOYSA-N -1 3 370.380 2.662 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCc3cc(F)cnc3Cl)cc(=O)c2c1 ZINC001154559853 1028353664 /nfs/dbraw/zinc/35/36/64/1028353664.db2.gz CGKZZLKAAJLDOB-UHFFFAOYSA-N -1 3 356.744 2.517 20 30 FFEDHM COC1CCC(CCNC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)CC1 ZINC001154561256 1028357015 /nfs/dbraw/zinc/35/70/15/1028357015.db2.gz ZBZZQEDBVWAKSD-UHFFFAOYSA-N -1 3 353.422 2.725 20 30 FFEDHM COC(=O)c1cccc2[nH]nc(C(=O)[N-]c3c(C#N)ccc(F)c3F)c21 ZINC001154609101 1028374839 /nfs/dbraw/zinc/37/48/39/1028374839.db2.gz PLHWMSIKTQLTFK-UHFFFAOYSA-N -1 3 356.288 2.752 20 30 FFEDHM N#Cc1ccc(-c2ccc(-n3c4[n-]c(=O)sc4c(=O)nc3N)cc2)o1 ZINC001163048564 1028772689 /nfs/dbraw/zinc/77/26/89/1028772689.db2.gz SCWXHGJPWOXAMY-UHFFFAOYSA-N -1 3 351.347 2.504 20 30 FFEDHM CC(=O)Nc1nc(C)cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001163765696 1029054872 /nfs/dbraw/zinc/05/48/72/1029054872.db2.gz WAUNOWMDGACIHQ-UHFFFAOYSA-N -1 3 369.303 2.890 20 30 FFEDHM COC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC001164160165 1029187597 /nfs/dbraw/zinc/18/75/97/1029187597.db2.gz APFGMRJWLKOHGB-MRXNPFEDSA-N -1 3 358.344 2.551 20 30 FFEDHM CN(C)S(=O)(=O)c1ccc(Nc2cc(F)c(C#N)c(F)c2)c([O-])c1 ZINC001203678749 1030824661 /nfs/dbraw/zinc/82/46/61/1030824661.db2.gz TWUPDTHMZHPCSX-UHFFFAOYSA-N -1 3 353.350 2.536 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc3nonc3c2)c(C)c1[O-] ZINC001149425902 1031508333 /nfs/dbraw/zinc/50/83/33/1031508333.db2.gz SCSPDMVQZBGJKA-UHFFFAOYSA-N -1 3 366.333 2.538 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2c([O-])ccc3ccc(=O)oc32)[C@H](C#N)C1 ZINC001226597619 1034753614 /nfs/dbraw/zinc/75/36/14/1034753614.db2.gz VMALLLFMKUWOEZ-OCCSQVGLSA-N -1 3 372.377 2.636 20 30 FFEDHM CC(C)(C)OC(=O)N1CCO[C@H]2[C@H](Oc3cc(C#N)ccc3[O-])CC[C@@H]21 ZINC001227346971 1035515211 /nfs/dbraw/zinc/51/52/11/1035515211.db2.gz YIJOLUFPNFOQHU-YSVLISHTSA-N -1 3 360.410 2.810 20 30 FFEDHM CC[C@H](C#CC(=O)OC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940892 1035822474 /nfs/dbraw/zinc/82/24/74/1035822474.db2.gz PICFLHXYSKIATM-CQSZACIVSA-N -1 3 354.358 2.663 20 30 FFEDHM N#Cc1ccc([O-])c(CN2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c1 ZINC001232681013 1035938757 /nfs/dbraw/zinc/93/87/57/1035938757.db2.gz JWFJBNOZSFYXTG-GOSISDBHSA-N -1 3 353.397 2.797 20 30 FFEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228624326 1036212587 /nfs/dbraw/zinc/21/25/87/1036212587.db2.gz ZRDIQTKJHYKKRG-HNNXBMFYSA-N -1 3 374.465 2.998 20 30 FFEDHM C=CCOC(=O)N1CCC2(CN(Cc3cc(Cl)ncc3[O-])C2)CC1 ZINC001233032889 1036272189 /nfs/dbraw/zinc/27/21/89/1036272189.db2.gz VTKFZAQGYAQNMJ-UHFFFAOYSA-N -1 3 351.834 2.661 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228856215 1036365524 /nfs/dbraw/zinc/36/55/24/1036365524.db2.gz ZODZTJVIFNMXTK-SJCJKPOMSA-N -1 3 358.394 2.659 20 30 FFEDHM C=CCOC(=O)N1CCC2(CCCN(Cc3ccc(C(=O)[O-])o3)C2)CC1 ZINC001140942109 1036505232 /nfs/dbraw/zinc/50/52/32/1036505232.db2.gz MVOAIKFOKNYDKK-UHFFFAOYSA-N -1 3 362.426 2.978 20 30 FFEDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(C#N)cc2[O-])CCC1(F)F ZINC001233387234 1036589080 /nfs/dbraw/zinc/58/90/80/1036589080.db2.gz ATTYEPWVDJDXLH-HNNXBMFYSA-N -1 3 367.396 2.998 20 30 FFEDHM COc1cc(/C=N/[O-])ccc1OC1CCN(c2cc(C#N)ccn2)CC1 ZINC001233801947 1036768899 /nfs/dbraw/zinc/76/88/99/1036768899.db2.gz DZDHHRXKZWBJOG-LPYMAVHISA-N -1 3 352.394 2.818 20 30 FFEDHM C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(OC)c(Cl)c1[O-] ZINC001277833283 1036930305 /nfs/dbraw/zinc/93/03/05/1036930305.db2.gz HDJHNFQREBGUIP-IBGZPJMESA-N -1 3 362.857 2.644 20 30 FFEDHM CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H](Oc3cc([O-])cc(C#N)c3)CC[C@@H]21 ZINC001234141652 1036936846 /nfs/dbraw/zinc/93/68/46/1036936846.db2.gz PYLADBOJQVXXJC-YESZJQIVSA-N -1 3 360.410 2.810 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)C2Oc1cc([O-])cc(C#N)c1 ZINC001234142459 1036938451 /nfs/dbraw/zinc/93/84/51/1036938451.db2.gz VPPLIVRCFOUAGO-VMZNBEPHSA-N -1 3 360.410 2.525 20 30 FFEDHM C=CCN1C(=O)CCC12CCN(Cc1ccc(OC)c(C(=O)[O-])c1)CC2 ZINC001231754058 1037879684 /nfs/dbraw/zinc/87/96/84/1037879684.db2.gz WCMISXCVGSPSIR-UHFFFAOYSA-N -1 3 358.438 2.536 20 30 FFEDHM C=C(C)CN1C[C@]2(CCN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278022842 1038326926 /nfs/dbraw/zinc/32/69/26/1038326926.db2.gz AUNLRLKOPVXLCI-GOSISDBHSA-N -1 3 368.836 2.564 20 30 FFEDHM C=CCOCc1ncn2c1CN(Cc1sc(=O)[n-]c1Cl)CCC2 ZINC001237157881 1038457747 /nfs/dbraw/zinc/45/77/47/1038457747.db2.gz JIZOWLKFPASMSE-UHFFFAOYSA-N -1 3 354.863 2.807 20 30 FFEDHM C=CCOC(=O)N1CCC2(CN(Cc3sc(=O)[n-]c3Cl)C2)CC1 ZINC001237160865 1038459523 /nfs/dbraw/zinc/45/95/23/1038459523.db2.gz KQTIFTRPDSXWOV-UHFFFAOYSA-N -1 3 357.863 2.723 20 30 FFEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)c(OC)c3)nc21 ZINC001537578349 1070212610 /nfs/dbraw/zinc/21/26/10/1070212610.db2.gz YFYPWSCDLSUNFA-UHFFFAOYSA-N -1 3 364.361 2.872 20 30 FFEDHM N#Cc1c(N)cc(=N)n(-c2cc([O-])cc(C(F)(F)F)c2)c1Br ZINC001210823126 1039753661 /nfs/dbraw/zinc/75/36/61/1039753661.db2.gz QRWNOWPLAFSWJM-UHFFFAOYSA-N -1 3 373.132 2.898 20 30 FFEDHM Cn1cc(CN2CCC23CN(Cc2c([O-])cccc2Cl)C3)cc1C#N ZINC001278491016 1039876751 /nfs/dbraw/zinc/87/67/51/1039876751.db2.gz OWUGNPZEHBCTOR-UHFFFAOYSA-N -1 3 356.857 2.716 20 30 FFEDHM COc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC001259370921 1039951113 /nfs/dbraw/zinc/95/11/13/1039951113.db2.gz WAZCNGXKSMYCFO-UHFFFAOYSA-N -1 3 354.391 2.553 20 30 FFEDHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1F ZINC001259419514 1039990053 /nfs/dbraw/zinc/99/00/53/1039990053.db2.gz DAHJRMQIBPAKMX-UHFFFAOYSA-N -1 3 366.345 2.732 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H]1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C ZINC001264158940 1042643149 /nfs/dbraw/zinc/64/31/49/1042643149.db2.gz HRGZYMFLZWRPNJ-JOTOCRJQSA-N -1 3 358.486 2.741 20 30 FFEDHM [O-]c1ccc(Br)cc1C=NNC(=S)NCc1cccnc1 ZINC001317711578 1045124362 /nfs/dbraw/zinc/12/43/62/1045124362.db2.gz BFZWENHTNZTDAA-UHFFFAOYSA-N -1 3 365.256 2.548 20 30 FFEDHM COCCCOc1cc(C)ccc1C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001322474596 1046099231 /nfs/dbraw/zinc/09/92/31/1046099231.db2.gz KQECQDZPPAVUFR-UHFFFAOYSA-N -1 3 374.462 2.649 20 30 FFEDHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001286047076 1046994747 /nfs/dbraw/zinc/99/47/47/1046994747.db2.gz LWXSPYISBQBKOI-RBUKOAKNSA-N -1 3 366.461 2.505 20 30 FFEDHM C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(-n2cccn2)c(F)c1 ZINC001326657195 1047020220 /nfs/dbraw/zinc/02/02/20/1047020220.db2.gz PTTWGIFEYJLIBW-LBPRGKRZSA-N -1 3 370.409 2.811 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)C1 ZINC001327573855 1047953894 /nfs/dbraw/zinc/95/38/94/1047953894.db2.gz PUAIUSOMXSGGTD-ZDUSSCGKSA-N -1 3 369.462 2.695 20 30 FFEDHM N#CC(=C([O-])c1cccc(C2OCCO2)c1)c1nc(N)c2ccccc2n1 ZINC001341903373 1050504705 /nfs/dbraw/zinc/50/47/05/1050504705.db2.gz LXTYCIONYDQDTO-OAHLLOKOSA-N -1 3 360.373 2.747 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCS[C@H](C(C)C)C1 ZINC001342026457 1050625220 /nfs/dbraw/zinc/62/52/20/1050625220.db2.gz ZDDXOKZEDYTUNW-AWEZNQCLSA-N -1 3 360.487 2.595 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001342128869 1050723336 /nfs/dbraw/zinc/72/33/36/1050723336.db2.gz IPKOIBMZLNCCSX-MRXNPFEDSA-N -1 3 362.384 2.642 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001342128868 1050724247 /nfs/dbraw/zinc/72/42/47/1050724247.db2.gz IPKOIBMZLNCCSX-INIZCTEOSA-N -1 3 362.384 2.642 20 30 FFEDHM C[C@H](CC#N)N(C)c1nnc(-c2nnc(Cl)[n-]2)n1Cc1ccccc1 ZINC001342190010 1050782464 /nfs/dbraw/zinc/78/24/64/1050782464.db2.gz PSVBMUKQSDDFBH-LLVKDONJSA-N -1 3 356.821 2.503 20 30 FFEDHM C[C@H](CC#N)N(C)c1nnc(-c2n[n-]c(Cl)n2)n1Cc1ccccc1 ZINC001342190010 1050782468 /nfs/dbraw/zinc/78/24/68/1050782468.db2.gz PSVBMUKQSDDFBH-LLVKDONJSA-N -1 3 356.821 2.503 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCc2sccc2C1 ZINC001340715871 1051077324 /nfs/dbraw/zinc/07/73/24/1051077324.db2.gz MPKNWOWLDQTQCM-UHFFFAOYSA-N -1 3 354.439 2.559 20 30 FFEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001340732155 1051091026 /nfs/dbraw/zinc/09/10/26/1051091026.db2.gz CDHZHJYVPVUQOU-CYBMUJFWSA-N -1 3 371.832 2.950 20 30 FFEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001340732155 1051091030 /nfs/dbraw/zinc/09/10/30/1051091030.db2.gz CDHZHJYVPVUQOU-CYBMUJFWSA-N -1 3 371.832 2.950 20 30 FFEDHM C[C@@H](C#N)CN(C)c1nnc(-c2nnc(Cl)[n-]2)n1CCc1ccccc1 ZINC001340752219 1051107435 /nfs/dbraw/zinc/10/74/35/1051107435.db2.gz UZVFEYDXXCBNTN-LBPRGKRZSA-N -1 3 370.848 2.555 20 30 FFEDHM C[C@@H](C#N)CN(C)c1nnc(-c2n[n-]c(Cl)n2)n1CCc1ccccc1 ZINC001340752219 1051107437 /nfs/dbraw/zinc/10/74/37/1051107437.db2.gz UZVFEYDXXCBNTN-LBPRGKRZSA-N -1 3 370.848 2.555 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001342533585 1051136688 /nfs/dbraw/zinc/13/66/88/1051136688.db2.gz VHSIYMJOFMSQGX-LLVKDONJSA-N -1 3 359.821 2.880 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001342533585 1051136693 /nfs/dbraw/zinc/13/66/93/1051136693.db2.gz VHSIYMJOFMSQGX-LLVKDONJSA-N -1 3 359.821 2.880 20 30 FFEDHM Cc1nnnn1-c1ccc(C(=O)N([O-])Cc2ccccc2Cl)c(F)c1 ZINC001306893883 1052215110 /nfs/dbraw/zinc/21/51/10/1052215110.db2.gz BCHUNMKLZONZLN-UHFFFAOYSA-N -1 3 361.764 2.795 20 30 FFEDHM C=CCN(Cc1ccccc1F)c1nnc(-c2c[n-]oc2=O)n1CCOC ZINC001345119684 1052269668 /nfs/dbraw/zinc/26/96/68/1052269668.db2.gz LLOKAHRNOWQVSW-UHFFFAOYSA-N -1 3 373.388 2.617 20 30 FFEDHM C=CCCCN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C[C@H]1CCOC1 ZINC001345441448 1052447947 /nfs/dbraw/zinc/44/79/47/1052447947.db2.gz MOUQAUVCLRPNDE-OAHLLOKOSA-N -1 3 372.473 2.578 20 30 FFEDHM C#CCSCC[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001309211043 1052575703 /nfs/dbraw/zinc/57/57/03/1052575703.db2.gz UORUXWMMLWXQEY-UHFFFAOYSA-N -1 3 352.506 2.763 20 30 FFEDHM C#C[C@@H]1CCCCN1c1nnc(-c2c[n-]oc2=O)n1Cc1cccs1 ZINC001346031705 1052714333 /nfs/dbraw/zinc/71/43/33/1052714333.db2.gz CDMLNIGDUBOQAS-GFCCVEGCSA-N -1 3 355.423 2.741 20 30 FFEDHM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3ncc(Cl)n3C)cnc21 ZINC001346095358 1052745731 /nfs/dbraw/zinc/74/57/31/1052745731.db2.gz CURUQLUDEFZBRK-CYBMUJFWSA-N -1 3 356.817 2.964 20 30 FFEDHM C=CCC[C@H]1CCCN1c1nnc(-c2cnc[n-]c2=O)n1CCCOCC ZINC001344407874 1052756411 /nfs/dbraw/zinc/75/64/11/1052756411.db2.gz UUDUYSQABXUETI-HNNXBMFYSA-N -1 3 372.473 2.802 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC2CC1(C)C2 ZINC001346582449 1053127316 /nfs/dbraw/zinc/12/73/16/1053127316.db2.gz IXZLVZALJOVUHU-UHFFFAOYSA-N -1 3 362.441 2.690 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC2CC1(C)C2 ZINC001346582449 1053127322 /nfs/dbraw/zinc/12/73/22/1053127322.db2.gz IXZLVZALJOVUHU-UHFFFAOYSA-N -1 3 362.441 2.690 20 30 FFEDHM C[C@]1(C#N)CN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCO1 ZINC001338115658 1055246274 /nfs/dbraw/zinc/24/62/74/1055246274.db2.gz NLSQWTGKRBIOMQ-SFHVURJKSA-N -1 3 357.435 2.606 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001356133977 1055320760 /nfs/dbraw/zinc/32/07/60/1055320760.db2.gz JHOLIUXADYUVJB-UHFFFAOYSA-N -1 3 368.363 2.714 20 30 FFEDHM C#CCN(C)c1nnc(-c2sc3ncccc3c2[O-])n1CCCOCC ZINC001357250039 1055840640 /nfs/dbraw/zinc/84/06/40/1055840640.db2.gz GUTSDHSWWKLAAA-UHFFFAOYSA-N -1 3 371.466 2.756 20 30 FFEDHM C=C(Cl)C[C@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)C(=O)OCC ZINC001544338735 1071629423 /nfs/dbraw/zinc/62/94/23/1071629423.db2.gz IONPGWFHCFOKER-ZDUSSCGKSA-N -1 3 361.772 2.978 20 30 FFEDHM CN(c1nnc(-c2nn(-c3ccccc3)cc2[O-])n1C)[C@@H]1CCC[C@@H]1C#N ZINC001519523347 1058797958 /nfs/dbraw/zinc/79/79/58/1058797958.db2.gz HRJPNOLOLZSRDD-UKRRQHHQSA-N -1 3 363.425 2.502 20 30 FFEDHM CC(C)c1ccc(-c2nc(CC(=O)N[C@@H]3CCCN([O-])C3=O)cs2)cc1 ZINC000848139284 1059117217 /nfs/dbraw/zinc/11/72/17/1059117217.db2.gz ZEFPJGJVPPHUGJ-MRXNPFEDSA-N -1 3 373.478 2.972 20 30 FFEDHM C#CCCCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001514989711 1059195761 /nfs/dbraw/zinc/19/57/61/1059195761.db2.gz UBCUYPCJTUQLLZ-DLBZAZTESA-N -1 3 356.466 2.991 20 30 FFEDHM N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1c[n-]c3c(F)cc(F)cc3c1=O)C2 ZINC001455039289 1059679019 /nfs/dbraw/zinc/67/90/19/1059679019.db2.gz QBSNWHQZZSAGCN-AWEZNQCLSA-N -1 3 365.339 2.575 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001455475931 1059794580 /nfs/dbraw/zinc/79/45/80/1059794580.db2.gz IOEBWIDBCPWLTL-UHFFFAOYSA-N -1 3 359.401 2.596 20 30 FFEDHM C=CC(C)(C)CCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001455475931 1059794607 /nfs/dbraw/zinc/79/46/07/1059794607.db2.gz IOEBWIDBCPWLTL-UHFFFAOYSA-N -1 3 359.401 2.596 20 30 FFEDHM COC(=O)c1cc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)c([O-])c(OC)c1 ZINC001456746274 1060187745 /nfs/dbraw/zinc/18/77/45/1060187745.db2.gz HFQPTZSZRLFGKL-UHFFFAOYSA-N -1 3 365.345 2.793 20 30 FFEDHM O=C([C@H]1CCCCC1(F)F)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458003602 1060487922 /nfs/dbraw/zinc/48/79/22/1060487922.db2.gz QIQHFUULJSRNLW-CQSZACIVSA-N -1 3 366.364 2.716 20 30 FFEDHM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458000020 1060488729 /nfs/dbraw/zinc/48/87/29/1060488729.db2.gz AMOGPCFRFGWESH-QDMKHBRRSA-N -1 3 356.422 2.717 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@H](C(F)F)C3)n2C)c1[O-] ZINC001355742537 1060554152 /nfs/dbraw/zinc/55/41/52/1060554152.db2.gz AYWHXAOXBKJQOA-AWEZNQCLSA-N -1 3 364.396 2.777 20 30 FFEDHM N#Cc1c[n-]n2c1nc(CN1CC[C@@H](Cc3ccc(F)cc3)C1)cc2=O ZINC001459508173 1060771008 /nfs/dbraw/zinc/77/10/08/1060771008.db2.gz MUCHZZRSUFADLV-AWEZNQCLSA-N -1 3 351.385 2.510 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)CCOCc1ccccc1 ZINC001524189858 1062750134 /nfs/dbraw/zinc/75/01/34/1062750134.db2.gz SHTIUJXHCUWWIZ-UHFFFAOYSA-N -1 3 369.425 2.868 20 30 FFEDHM C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccccc2C#N)C(=O)N1c1ccccc1 ZINC001465463609 1063105519 /nfs/dbraw/zinc/10/55/19/1063105519.db2.gz DCVJDDOENWKPQV-SUMWQHHRSA-N -1 3 369.371 2.960 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC001468373544 1063975840 /nfs/dbraw/zinc/97/58/40/1063975840.db2.gz PLFNHMAIDLSKBD-AWEZNQCLSA-N -1 3 364.760 2.991 20 30 FFEDHM C#C[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC001469386580 1064138393 /nfs/dbraw/zinc/13/83/93/1064138393.db2.gz FZGODNOHXRTFRP-LJQANCHMSA-N -1 3 372.428 2.564 20 30 FFEDHM N#CCc1ccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001469413998 1064141967 /nfs/dbraw/zinc/14/19/67/1064141967.db2.gz GACSNWXDNWUFDV-UHFFFAOYSA-N -1 3 353.328 2.802 20 30 FFEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC001471049570 1064541552 /nfs/dbraw/zinc/54/15/52/1064541552.db2.gz DKZDKFHOXLWDGJ-WBMJQRKESA-N -1 3 368.393 2.705 20 30 FFEDHM CCCCCCN([O-])C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001472621118 1065113108 /nfs/dbraw/zinc/11/31/08/1065113108.db2.gz HXTHKJNXUFBHKD-SFHVURJKSA-N -1 3 369.462 2.940 20 30 FFEDHM CCN(C(=O)c1ncc(C#N)cc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001577842002 1078407504 /nfs/dbraw/zinc/40/75/04/1078407504.db2.gz RRHCROBSUJPMKB-UHFFFAOYSA-N -1 3 367.800 2.762 20 30 FFEDHM CCN(C(=O)c1ncc(C#N)cc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001577842002 1078407505 /nfs/dbraw/zinc/40/75/05/1078407505.db2.gz RRHCROBSUJPMKB-UHFFFAOYSA-N -1 3 367.800 2.762 20 30 FFEDHM CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001578394910 1078468967 /nfs/dbraw/zinc/46/89/67/1078468967.db2.gz VXQZQTVCLUDBDM-UHFFFAOYSA-N -1 3 369.410 2.520 20 30 FFEDHM CN(c1ccc(-c2nnn[n-]2)c(Br)c1F)[C@H]1CCC[C@@H]1C#N ZINC001579266821 1078605649 /nfs/dbraw/zinc/60/56/49/1078605649.db2.gz ZJLXESMCYWWIAM-SCZZXKLOSA-N -1 3 365.210 2.897 20 30 FFEDHM CN(c1ccc(-c2nn[n-]n2)c(Br)c1F)[C@H]1CCC[C@@H]1C#N ZINC001579266821 1078605652 /nfs/dbraw/zinc/60/56/52/1078605652.db2.gz ZJLXESMCYWWIAM-SCZZXKLOSA-N -1 3 365.210 2.897 20 30 FFEDHM COc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001579888692 1078709222 /nfs/dbraw/zinc/70/92/22/1078709222.db2.gz KLRUVZCODGCPOK-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001579888692 1078709227 /nfs/dbraw/zinc/70/92/27/1078709227.db2.gz KLRUVZCODGCPOK-UHFFFAOYSA-N -1 3 354.757 2.653 20 30 FFEDHM COc1ccc([C@@H](C)CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC001579991542 1078728138 /nfs/dbraw/zinc/72/81/38/1078728138.db2.gz DAHWEPUNPHILCS-JTQLQIEISA-N -1 3 367.438 2.620 20 30 FFEDHM COc1ccc([C@@H](C)CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC001579991542 1078728144 /nfs/dbraw/zinc/72/81/44/1078728144.db2.gz DAHWEPUNPHILCS-JTQLQIEISA-N -1 3 367.438 2.620 20 30 FFEDHM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC001581200528 1078935361 /nfs/dbraw/zinc/93/53/61/1078935361.db2.gz QVRMPHRUZGKHEA-ZDUSSCGKSA-N -1 3 362.393 2.591 20 30 FFEDHM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC001581200528 1078935364 /nfs/dbraw/zinc/93/53/64/1078935364.db2.gz QVRMPHRUZGKHEA-ZDUSSCGKSA-N -1 3 362.393 2.591 20 30 FFEDHM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581261088 1078947817 /nfs/dbraw/zinc/94/78/17/1078947817.db2.gz SFFIETKAUAYZJY-YTQUADARSA-N -1 3 372.432 2.530 20 30 FFEDHM N#Cc1csc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)n1 ZINC001581878702 1079012780 /nfs/dbraw/zinc/01/27/80/1079012780.db2.gz YBLHCPBIJIPRRC-GFCCVEGCSA-N -1 3 365.344 2.588 20 30 FFEDHM N#Cc1csc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)n1 ZINC001581878702 1079012790 /nfs/dbraw/zinc/01/27/90/1079012790.db2.gz YBLHCPBIJIPRRC-GFCCVEGCSA-N -1 3 365.344 2.588 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001584213549 1079323457 /nfs/dbraw/zinc/32/34/57/1079323457.db2.gz VNINQPAHIGPKAZ-GFCCVEGCSA-N -1 3 368.393 2.994 20 30 FFEDHM CCn1nccc1[C@H]1OCCC[C@H]1C=NNc1nc2c(c(=O)[n-]1)CCCC2 ZINC001552453912 1075076782 /nfs/dbraw/zinc/07/67/82/1075076782.db2.gz NHUOEMNYZAZGRA-GUYCJALGSA-N -1 3 370.457 2.843 20 30 FFEDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(OC(F)(F)F)c2C#N)n1 ZINC001584776432 1079387794 /nfs/dbraw/zinc/38/77/94/1079387794.db2.gz OWVTZTDJMUOBOJ-UHFFFAOYSA-N -1 3 369.259 2.834 20 30 FFEDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncc3c(c2C#N)COCC3)c1 ZINC001585441070 1079463388 /nfs/dbraw/zinc/46/33/88/1079463388.db2.gz OIYFTTXNXTVNNP-UHFFFAOYSA-N -1 3 370.390 2.908 20 30 FFEDHM CC(C)c1ccc(Oc2cc(C(=O)N[C@H]3CCN([O-])C3=O)ccn2)cc1 ZINC001556750268 1075772105 /nfs/dbraw/zinc/77/21/05/1075772105.db2.gz FMUAURJIDIGHKP-INIZCTEOSA-N -1 3 355.394 2.717 20 30 FFEDHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001585647727 1079484342 /nfs/dbraw/zinc/48/43/42/1079484342.db2.gz JBGQMBXQDBANIO-CRAIPNDOSA-N -1 3 354.450 2.505 20 30 FFEDHM Cc1cc(C#N)cc(C)c1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001558977769 1076108906 /nfs/dbraw/zinc/10/89/06/1076108906.db2.gz ACVVUIDIMZWXJC-UONOGXRCSA-N -1 3 366.421 2.669 20 30 FFEDHM N#Cc1ccc(F)c(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001566031504 1076866330 /nfs/dbraw/zinc/86/63/30/1076866330.db2.gz JHHGFHAEMQAYSM-UHFFFAOYSA-N -1 3 357.291 2.747 20 30 FFEDHM C#C[C@@H](Nc1ncc(Br)cc1-c1nnn[n-]1)c1ccccc1 ZINC001588328512 1079985169 /nfs/dbraw/zinc/98/51/69/1079985169.db2.gz ITISAGVWZVFYFV-CYBMUJFWSA-N -1 3 355.199 2.811 20 30 FFEDHM C#C[C@@H](Nc1ncc(Br)cc1-c1nn[n-]n1)c1ccccc1 ZINC001588328512 1079985174 /nfs/dbraw/zinc/98/51/74/1079985174.db2.gz ITISAGVWZVFYFV-CYBMUJFWSA-N -1 3 355.199 2.811 20 30 FFEDHM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1F ZINC001588329261 1079985484 /nfs/dbraw/zinc/98/54/84/1079985484.db2.gz BROFDODTNRDTJE-GFCCVEGCSA-N -1 3 361.789 2.825 20 30 FFEDHM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1F ZINC001588329261 1079985489 /nfs/dbraw/zinc/98/54/89/1079985489.db2.gz BROFDODTNRDTJE-GFCCVEGCSA-N -1 3 361.789 2.825 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588334197 1079988594 /nfs/dbraw/zinc/98/85/94/1079988594.db2.gz QHHVQGXKRTUBSL-HNAYVOBHSA-N -1 3 374.448 2.862 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588334197 1079988599 /nfs/dbraw/zinc/98/85/99/1079988599.db2.gz QHHVQGXKRTUBSL-HNAYVOBHSA-N -1 3 374.448 2.862 20 30 FFEDHM C#CCN(CC1CC1)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588350731 1079992382 /nfs/dbraw/zinc/99/23/82/1079992382.db2.gz NJEQGPXVOUPAOR-UHFFFAOYSA-N -1 3 374.404 2.539 20 30 FFEDHM C#CCN(CC1CC1)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588350731 1079992385 /nfs/dbraw/zinc/99/23/85/1079992385.db2.gz NJEQGPXVOUPAOR-UHFFFAOYSA-N -1 3 374.404 2.539 20 30 FFEDHM C#CCSCCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001588364145 1079993780 /nfs/dbraw/zinc/99/37/80/1079993780.db2.gz WHPCZFWTGUBOMS-UHFFFAOYSA-N -1 3 367.482 2.571 20 30 FFEDHM C#CCSCCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001588364145 1079993784 /nfs/dbraw/zinc/99/37/84/1079993784.db2.gz WHPCZFWTGUBOMS-UHFFFAOYSA-N -1 3 367.482 2.571 20 30 FFEDHM C#Cc1ccc([C@H](OC(=O)c2ccc(-c3nnn[n-]3)cn2)C(F)(F)F)cc1 ZINC001588373293 1079996268 /nfs/dbraw/zinc/99/62/68/1079996268.db2.gz IAYOXXQWEVYNHN-AWEZNQCLSA-N -1 3 373.294 2.703 20 30 FFEDHM C#Cc1ccc([C@H](OC(=O)c2ccc(-c3nn[n-]n3)cn2)C(F)(F)F)cc1 ZINC001588373293 1079996275 /nfs/dbraw/zinc/99/62/75/1079996275.db2.gz IAYOXXQWEVYNHN-AWEZNQCLSA-N -1 3 373.294 2.703 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)c1 ZINC001588374921 1079997527 /nfs/dbraw/zinc/99/75/27/1079997527.db2.gz WKMXPOBDEZAKOA-UHFFFAOYSA-N -1 3 367.359 2.993 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)c1 ZINC001588374921 1079997533 /nfs/dbraw/zinc/99/75/33/1079997533.db2.gz WKMXPOBDEZAKOA-UHFFFAOYSA-N -1 3 367.359 2.993 20 30 FFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccco2)s1 ZINC001588381400 1079999282 /nfs/dbraw/zinc/99/92/82/1079999282.db2.gz AQKWFJJFLVGKRT-UHFFFAOYSA-N -1 3 351.395 2.707 20 30 FFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccco2)s1 ZINC001588381400 1079999286 /nfs/dbraw/zinc/99/92/86/1079999286.db2.gz AQKWFJJFLVGKRT-UHFFFAOYSA-N -1 3 351.395 2.707 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588391442 1080003305 /nfs/dbraw/zinc/00/33/05/1080003305.db2.gz LHEMRGOFVKLQIN-INIZCTEOSA-N -1 3 354.458 2.506 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588391442 1080003313 /nfs/dbraw/zinc/00/33/13/1080003313.db2.gz LHEMRGOFVKLQIN-INIZCTEOSA-N -1 3 354.458 2.506 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001588391448 1080003624 /nfs/dbraw/zinc/00/36/24/1080003624.db2.gz LNSQGFNORILHQW-MRXNPFEDSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001588391448 1080003635 /nfs/dbraw/zinc/00/36/35/1080003635.db2.gz LNSQGFNORILHQW-MRXNPFEDSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NC1CCC(Oc2ncccc2-c2nnn[n-]2)CC1 ZINC001588392898 1080005798 /nfs/dbraw/zinc/00/57/98/1080005798.db2.gz LGCOBIXLHRCWMV-UHFFFAOYSA-N -1 3 370.457 2.670 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCCN(c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001588397160 1080008452 /nfs/dbraw/zinc/00/84/52/1080008452.db2.gz YAVJKDCIHKYOQH-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=C(C)C(C)(C)C(=O)NCCCN(c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001588397160 1080008459 /nfs/dbraw/zinc/00/84/59/1080008459.db2.gz YAVJKDCIHKYOQH-UHFFFAOYSA-N -1 3 371.489 2.585 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)CC(C)C ZINC001588415041 1080017657 /nfs/dbraw/zinc/01/76/57/1080017657.db2.gz BATUBHACHYLCRG-AWEZNQCLSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)CC(C)C ZINC001588415041 1080017664 /nfs/dbraw/zinc/01/76/64/1080017664.db2.gz BATUBHACHYLCRG-AWEZNQCLSA-N -1 3 357.462 2.561 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588416754 1080020380 /nfs/dbraw/zinc/02/03/80/1080020380.db2.gz YRIMVQVGEXOPQO-ZDUSSCGKSA-N -1 3 357.462 2.623 20 30 FFEDHM C=C(C)CCC(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588416754 1080020390 /nfs/dbraw/zinc/02/03/90/1080020390.db2.gz YRIMVQVGEXOPQO-ZDUSSCGKSA-N -1 3 357.462 2.623 20 30 FFEDHM C#CC[C@@H](NCc1cc(Br)ccc1Br)C(=O)[O-] ZINC001588422078 1080022680 /nfs/dbraw/zinc/02/26/80/1080022680.db2.gz GKPMAGCLUGHSNZ-LLVKDONJSA-N -1 3 361.033 2.778 20 30 FFEDHM C=C(C)CN(CC)C(=O)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001588426094 1080023922 /nfs/dbraw/zinc/02/39/22/1080023922.db2.gz LHXHEPUEJXEXMU-UHFFFAOYSA-N -1 3 350.220 2.667 20 30 FFEDHM C=C(C)CN(CC)C(=O)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001588426094 1080023930 /nfs/dbraw/zinc/02/39/30/1080023930.db2.gz LHXHEPUEJXEXMU-UHFFFAOYSA-N -1 3 350.220 2.667 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)c(OC)c2)SC1=S ZINC001588430788 1080026127 /nfs/dbraw/zinc/02/61/27/1080026127.db2.gz STXZSRKMQREFQG-QPEQYQDCSA-N -1 3 373.463 2.653 20 30 FFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)c(OC)c2)SC1=S ZINC001588430788 1080026131 /nfs/dbraw/zinc/02/61/31/1080026131.db2.gz STXZSRKMQREFQG-QPEQYQDCSA-N -1 3 373.463 2.653 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C)C1 ZINC001588455714 1080032717 /nfs/dbraw/zinc/03/27/17/1080032717.db2.gz SABJZEZDESRDLN-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CC(C)(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C)C1 ZINC001588455714 1080032728 /nfs/dbraw/zinc/03/27/28/1080032728.db2.gz SABJZEZDESRDLN-OAHLLOKOSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)CN(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588461145 1080035829 /nfs/dbraw/zinc/03/58/29/1080035829.db2.gz KRFMXSJNNOFKSI-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=C1CCC(C(=O)N[C@H](C)CN(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588461145 1080035838 /nfs/dbraw/zinc/03/58/38/1080035838.db2.gz KRFMXSJNNOFKSI-CYBMUJFWSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588475648 1080041749 /nfs/dbraw/zinc/04/17/49/1080041749.db2.gz QMXUKYVLHOGTMH-ZDUSSCGKSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588475648 1080041759 /nfs/dbraw/zinc/04/17/59/1080041759.db2.gz QMXUKYVLHOGTMH-ZDUSSCGKSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588475436 1080042888 /nfs/dbraw/zinc/04/28/88/1080042888.db2.gz ODJITCJTNLFRCX-ZIAGYGMSSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588475436 1080042895 /nfs/dbraw/zinc/04/28/95/1080042895.db2.gz ODJITCJTNLFRCX-ZIAGYGMSSA-N -1 3 369.473 2.622 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001588484876 1080049570 /nfs/dbraw/zinc/04/95/70/1080049570.db2.gz QQUQXKQYQCGRLZ-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001588484876 1080049582 /nfs/dbraw/zinc/04/95/82/1080049582.db2.gz QQUQXKQYQCGRLZ-CQSZACIVSA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001588485077 1080049784 /nfs/dbraw/zinc/04/97/84/1080049784.db2.gz WOSZVDPZXJOKBX-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001588485077 1080049793 /nfs/dbraw/zinc/04/97/93/1080049793.db2.gz WOSZVDPZXJOKBX-HIFRSBDPSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588485091 1080050009 /nfs/dbraw/zinc/05/00/09/1080050009.db2.gz WTCTWCDSYKGGTN-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588485091 1080050012 /nfs/dbraw/zinc/05/00/12/1080050012.db2.gz WTCTWCDSYKGGTN-UKRRQHHQSA-N -1 3 369.473 2.561 20 30 FFEDHM C=CC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588489029 1080051947 /nfs/dbraw/zinc/05/19/47/1080051947.db2.gz VBMXGIQCQHZAOI-UHFFFAOYSA-N -1 3 350.382 2.748 20 30 FFEDHM C=CC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588489029 1080051957 /nfs/dbraw/zinc/05/19/57/1080051957.db2.gz VBMXGIQCQHZAOI-UHFFFAOYSA-N -1 3 350.382 2.748 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001588492551 1080054958 /nfs/dbraw/zinc/05/49/58/1080054958.db2.gz TVONOSBZIRNFAM-AUUYWEPGSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001588492551 1080054969 /nfs/dbraw/zinc/05/49/69/1080054969.db2.gz TVONOSBZIRNFAM-AUUYWEPGSA-N -1 3 371.489 2.807 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001588527112 1080078291 /nfs/dbraw/zinc/07/82/91/1080078291.db2.gz BULZYRVKKZQWHE-HNNXBMFYSA-N -1 3 372.498 2.850 20 30 FFEDHM C=C[C@H]1CCCCN1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001588527112 1080078299 /nfs/dbraw/zinc/07/82/99/1080078299.db2.gz BULZYRVKKZQWHE-HNNXBMFYSA-N -1 3 372.498 2.850 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)c1nc(C)ccc1-c1nnn[n-]1 ZINC001588538049 1080085822 /nfs/dbraw/zinc/08/58/22/1080085822.db2.gz GRSKJFIZPORZOS-CQSZACIVSA-N -1 3 371.489 2.503 20 30 FFEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)c1nc(C)ccc1-c1nn[n-]n1 ZINC001588538049 1080085830 /nfs/dbraw/zinc/08/58/30/1080085830.db2.gz GRSKJFIZPORZOS-CQSZACIVSA-N -1 3 371.489 2.503 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CNc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001588556593 1080095349 /nfs/dbraw/zinc/09/53/49/1080095349.db2.gz OAYQTFQVDWNJSP-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CNc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001588556593 1080095358 /nfs/dbraw/zinc/09/53/58/1080095358.db2.gz OAYQTFQVDWNJSP-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(NC(=O)c2ccn(-c3cccc(-c4nnn[n-]4)c3)n2)CCCC1 ZINC001588557809 1080096260 /nfs/dbraw/zinc/09/62/60/1080096260.db2.gz VHRHXBGYRUJIQB-UHFFFAOYSA-N -1 3 363.425 2.671 20 30 FFEDHM C=CCC1(NC(=O)c2ccn(-c3cccc(-c4nn[n-]n4)c3)n2)CCCC1 ZINC001588557809 1080096268 /nfs/dbraw/zinc/09/62/68/1080096268.db2.gz VHRHXBGYRUJIQB-UHFFFAOYSA-N -1 3 363.425 2.671 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001588559177 1080096814 /nfs/dbraw/zinc/09/68/14/1080096814.db2.gz HTQCLEMBAKGQNI-ZFWWWQNUSA-N -1 3 371.441 2.505 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588559177 1080096823 /nfs/dbraw/zinc/09/68/23/1080096823.db2.gz HTQCLEMBAKGQNI-ZFWWWQNUSA-N -1 3 371.441 2.505 20 30 FFEDHM C=CCCC(=O)N[C@@H](CNc1snc(C)c1-c1nnn[n-]1)CC(C)C ZINC001588571782 1080103312 /nfs/dbraw/zinc/10/33/12/1080103312.db2.gz NYFRAJBUWKKYLG-GFCCVEGCSA-N -1 3 363.491 2.541 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588587989 1080111680 /nfs/dbraw/zinc/11/16/80/1080111680.db2.gz BEPWEPUHCZSHQD-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588587989 1080111686 /nfs/dbraw/zinc/11/16/86/1080111686.db2.gz BEPWEPUHCZSHQD-GDBMZVCRSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588594736 1080117392 /nfs/dbraw/zinc/11/73/92/1080117392.db2.gz RSMCYOPRLLYGAJ-UKRRQHHQSA-N -1 3 372.448 2.693 20 30 FFEDHM C=CCCOCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001588615982 1080124033 /nfs/dbraw/zinc/12/40/33/1080124033.db2.gz PRIBXKRIFHWMIV-UHFFFAOYSA-N -1 3 356.411 2.521 20 30 FFEDHM C=CCCOCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001588615982 1080124036 /nfs/dbraw/zinc/12/40/36/1080124036.db2.gz PRIBXKRIFHWMIV-UHFFFAOYSA-N -1 3 356.411 2.521 20 30 FFEDHM C=CCN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001588626610 1080127281 /nfs/dbraw/zinc/12/72/81/1080127281.db2.gz MSYJEIGUONLMQF-UHFFFAOYSA-N -1 3 354.439 2.923 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001588638565 1080131994 /nfs/dbraw/zinc/13/19/94/1080131994.db2.gz FNOBRROPOLCRBQ-LBPRGKRZSA-N -1 3 365.441 2.525 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1c(C)n[nH]c1C ZINC001588638565 1080131997 /nfs/dbraw/zinc/13/19/97/1080131997.db2.gz FNOBRROPOLCRBQ-LBPRGKRZSA-N -1 3 365.441 2.525 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1scnc1C ZINC001588639558 1080132022 /nfs/dbraw/zinc/13/20/22/1080132022.db2.gz BZIUUALVEBXYMP-UHFFFAOYSA-N -1 3 368.466 2.779 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1scnc1C ZINC001588639558 1080132031 /nfs/dbraw/zinc/13/20/31/1080132031.db2.gz BZIUUALVEBXYMP-UHFFFAOYSA-N -1 3 368.466 2.779 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC001588640057 1080133765 /nfs/dbraw/zinc/13/37/65/1080133765.db2.gz ZRDQWKRVXVAOTM-MSOLQXFVSA-N -1 3 369.469 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC001588640057 1080133770 /nfs/dbraw/zinc/13/37/70/1080133770.db2.gz ZRDQWKRVXVAOTM-MSOLQXFVSA-N -1 3 369.469 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCS[C@H](C)C1 ZINC001588641857 1080134234 /nfs/dbraw/zinc/13/42/34/1080134234.db2.gz NRGYPJGHYOEGSQ-CJNGLKHVSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCS[C@H](C)C1 ZINC001588641857 1080134241 /nfs/dbraw/zinc/13/42/41/1080134241.db2.gz NRGYPJGHYOEGSQ-CJNGLKHVSA-N -1 3 372.498 2.848 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C2CCCC2)n1C ZINC001588652162 1080142358 /nfs/dbraw/zinc/14/23/58/1080142358.db2.gz MBWJUQVHYNZAIA-UHFFFAOYSA-N -1 3 364.457 2.845 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C2CCCC2)n1C ZINC001588652162 1080142361 /nfs/dbraw/zinc/14/23/61/1080142361.db2.gz MBWJUQVHYNZAIA-UHFFFAOYSA-N -1 3 364.457 2.845 20 30 FFEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Br)c2F)C1 ZINC001588665858 1080147069 /nfs/dbraw/zinc/14/70/69/1080147069.db2.gz RSPRJIDWXNAWBA-SECBINFHSA-N -1 3 368.210 2.550 20 30 FFEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Br)c2F)C1 ZINC001588665858 1080147073 /nfs/dbraw/zinc/14/70/73/1080147073.db2.gz RSPRJIDWXNAWBA-SECBINFHSA-N -1 3 368.210 2.550 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3F)cc2n1 ZINC001588716830 1080167136 /nfs/dbraw/zinc/16/71/36/1080167136.db2.gz NHVJKMRPYCXRNR-UHFFFAOYSA-N -1 3 363.356 2.794 20 30 FFEDHM C=CCn1cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3F)cc2n1 ZINC001588716830 1080167138 /nfs/dbraw/zinc/16/71/38/1080167138.db2.gz NHVJKMRPYCXRNR-UHFFFAOYSA-N -1 3 363.356 2.794 20 30 FFEDHM CC(=NNCc1ccccc1N(C)C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588777084 1080190561 /nfs/dbraw/zinc/19/05/61/1080190561.db2.gz BTRQPCPSVHHTTE-UHFFFAOYSA-N -1 3 353.405 2.586 20 30 FFEDHM CC(=NNCc1ccccc1N(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588777084 1080190569 /nfs/dbraw/zinc/19/05/69/1080190569.db2.gz BTRQPCPSVHHTTE-UHFFFAOYSA-N -1 3 353.405 2.586 20 30 FFEDHM CC(=NNC(=S)NCC1CCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588776267 1080191169 /nfs/dbraw/zinc/19/11/69/1080191169.db2.gz GWFBWNIZDBVKOI-UHFFFAOYSA-N -1 3 363.878 2.508 20 30 FFEDHM CC(=NNC(=S)NCC1CCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588776267 1080191172 /nfs/dbraw/zinc/19/11/72/1080191172.db2.gz GWFBWNIZDBVKOI-UHFFFAOYSA-N -1 3 363.878 2.508 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2[nH]c(=O)oc2c1 ZINC001588777380 1080191971 /nfs/dbraw/zinc/19/19/71/1080191971.db2.gz QMPMZTOLGSWNNQ-UHFFFAOYSA-N -1 3 370.760 2.598 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2[nH]c(=O)oc2c1 ZINC001588777380 1080191973 /nfs/dbraw/zinc/19/19/73/1080191973.db2.gz QMPMZTOLGSWNNQ-UHFFFAOYSA-N -1 3 370.760 2.598 20 30 FFEDHM C=CCCC[C@@H](N)C(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001588784893 1080195665 /nfs/dbraw/zinc/19/56/65/1080195665.db2.gz DAVVEJRUZYVNKR-SECBINFHSA-N -1 3 373.272 2.735 20 30 FFEDHM CC(C)(C)CN(CCC#N)C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001589128886 1080377443 /nfs/dbraw/zinc/37/74/43/1080377443.db2.gz KGRMRILHVUWYKJ-UHFFFAOYSA-N -1 3 351.414 2.750 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)c2cccc(C#N)n2)c1-c1nnn[n-]1 ZINC001589236851 1080438732 /nfs/dbraw/zinc/43/87/32/1080438732.db2.gz BGZRSFXRCIWYEX-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM CC(C)(C)c1csc(NC(=O)c2cccc(C#N)n2)c1-c1nn[n-]n1 ZINC001589236851 1080438737 /nfs/dbraw/zinc/43/87/37/1080438737.db2.gz BGZRSFXRCIWYEX-UHFFFAOYSA-N -1 3 353.411 2.745 20 30 FFEDHM CC(C)Oc1cccc([C@H](O)CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001589757751 1080711035 /nfs/dbraw/zinc/71/10/35/1080711035.db2.gz IOEFDASMLWNDPR-QGZVFWFLSA-N -1 3 364.409 2.671 20 30 FFEDHM CC(C)Oc1cccc([C@H](O)CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001589757751 1080711041 /nfs/dbraw/zinc/71/10/41/1080711041.db2.gz IOEFDASMLWNDPR-QGZVFWFLSA-N -1 3 364.409 2.671 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)c2csc(-c3nnn[n-]3)c2)cc1C#N ZINC001589758472 1080713091 /nfs/dbraw/zinc/71/30/91/1080713091.db2.gz CRGHJSNZBYOLTI-UHFFFAOYSA-N -1 3 354.395 2.839 20 30 FFEDHM CC(C)c1ccc(CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001589768392 1080722737 /nfs/dbraw/zinc/72/27/37/1080722737.db2.gz DXUCAMURJLEKLQ-LJQANCHMSA-N -1 3 374.448 2.989 20 30 FFEDHM CC(C=NNCc1ccc(-c2nnn[n-]2)cc1)=Cc1cccc([N+](=O)[O-])c1 ZINC001589787287 1080741341 /nfs/dbraw/zinc/74/13/41/1080741341.db2.gz OPIHMBRMXSQSQB-XNZLLJBKSA-N -1 3 363.381 2.954 20 30 FFEDHM CC(C=NNCc1ccc(-c2nn[n-]n2)cc1)=Cc1cccc([N+](=O)[O-])c1 ZINC001589787287 1080741345 /nfs/dbraw/zinc/74/13/45/1080741345.db2.gz OPIHMBRMXSQSQB-XNZLLJBKSA-N -1 3 363.381 2.954 20 30 FFEDHM C[C@H](CCC#N)c1nnc(N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1C ZINC001589803107 1080759786 /nfs/dbraw/zinc/75/97/86/1080759786.db2.gz NNWLQRLLCHFJGU-OLZOCXBDSA-N -1 3 365.445 2.600 20 30 FFEDHM C[C@H](CCC#N)c1nnc(N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1C ZINC001589803107 1080759795 /nfs/dbraw/zinc/75/97/95/1080759795.db2.gz NNWLQRLLCHFJGU-OLZOCXBDSA-N -1 3 365.445 2.600 20 30 FFEDHM C[C@H](CO)CCCNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589882996 1080830580 /nfs/dbraw/zinc/83/05/80/1080830580.db2.gz VRQNIHDMHGLFMQ-ZDUSSCGKSA-N -1 3 369.473 2.613 20 30 FFEDHM C[C@H](CO)CCCNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589882996 1080830581 /nfs/dbraw/zinc/83/05/81/1080830581.db2.gz VRQNIHDMHGLFMQ-ZDUSSCGKSA-N -1 3 369.473 2.613 20 30 FFEDHM C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001589926834 1080866553 /nfs/dbraw/zinc/86/65/53/1080866553.db2.gz WTNCLTRDNYZKIP-LBPRGKRZSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001589926834 1080866555 /nfs/dbraw/zinc/86/65/55/1080866555.db2.gz WTNCLTRDNYZKIP-LBPRGKRZSA-N -1 3 364.434 2.708 20 30 FFEDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC001589942992 1080885582 /nfs/dbraw/zinc/88/55/82/1080885582.db2.gz MCQYHNHFNFJXMF-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC001589942992 1080885586 /nfs/dbraw/zinc/88/55/86/1080885586.db2.gz MCQYHNHFNFJXMF-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589945081 1080887647 /nfs/dbraw/zinc/88/76/47/1080887647.db2.gz FMEYDMOUMXEVDB-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589945081 1080887656 /nfs/dbraw/zinc/88/76/56/1080887656.db2.gz FMEYDMOUMXEVDB-JTQLQIEISA-N -1 3 352.785 2.883 20 30 FFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001590044615 1080971847 /nfs/dbraw/zinc/97/18/47/1080971847.db2.gz SLJKHRGMCRTTPU-XEZPLFJOSA-N -1 3 353.430 2.651 20 30 FFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001590044615 1080971855 /nfs/dbraw/zinc/97/18/55/1080971855.db2.gz SLJKHRGMCRTTPU-XEZPLFJOSA-N -1 3 353.430 2.651 20 30 FFEDHM CC1(C)CCc2sc(NC(=O)c3cccc(C#N)n3)c(-c3nnn[n-]3)c21 ZINC001590099814 1081011338 /nfs/dbraw/zinc/01/13/38/1081011338.db2.gz GPMKNDBSYIVXHO-UHFFFAOYSA-N -1 3 365.422 2.671 20 30 FFEDHM CC1(C)CCc2sc(NC(=O)c3cccc(C#N)n3)c(-c3nn[n-]n3)c21 ZINC001590099814 1081011345 /nfs/dbraw/zinc/01/13/45/1081011345.db2.gz GPMKNDBSYIVXHO-UHFFFAOYSA-N -1 3 365.422 2.671 20 30 FFEDHM C[C@@H]1CCc2nc(NC(=O)c3csc(-c4nnn[n-]4)c3)c(C#N)cc2C1 ZINC001590280288 1081137517 /nfs/dbraw/zinc/13/75/17/1081137517.db2.gz LUUGKKQXAZRKEJ-SECBINFHSA-N -1 3 365.422 2.572 20 30 FFEDHM N#Cc1cccc(OC2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)c1 ZINC000104715533 250184257 /nfs/dbraw/zinc/18/42/57/250184257.db2.gz SEWVBNDUIWPMER-UHFFFAOYSA-N -1 3 366.446 2.900 20 30 FFEDHM CO[C@@H](C)c1nc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000267716120 251357343 /nfs/dbraw/zinc/35/73/43/251357343.db2.gz KGPBUVJDOUMGQV-LBPRGKRZSA-N -1 3 374.466 2.689 20 30 FFEDHM CC(C)C(=O)Nc1nc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cs1 ZINC000051266391 221034444 /nfs/dbraw/zinc/03/44/44/221034444.db2.gz OLBYFRMHPBUMPG-UHFFFAOYSA-N -1 3 362.337 2.705 20 30 FFEDHM CC(C)C(=O)Nc1nc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cs1 ZINC000051266391 221034445 /nfs/dbraw/zinc/03/44/45/221034445.db2.gz OLBYFRMHPBUMPG-UHFFFAOYSA-N -1 3 362.337 2.705 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000276061529 256069620 /nfs/dbraw/zinc/06/96/20/256069620.db2.gz QFKBVCVHYRLOEV-LLVKDONJSA-N -1 3 364.448 2.754 20 30 FFEDHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1C#N ZINC000277142904 256165208 /nfs/dbraw/zinc/16/52/08/256165208.db2.gz CFJWXEVLZOLZSE-MRXNPFEDSA-N -1 3 370.405 2.890 20 30 FFEDHM C[C@@H](CON=C([O-])Nc1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000290266542 257322805 /nfs/dbraw/zinc/32/28/05/257322805.db2.gz VSIXLJWEVUZJLR-JTQLQIEISA-N -1 3 352.366 2.664 20 30 FFEDHM C[C@@H](CO[N-]C(=O)Nc1ccc(C#N)c(F)c1)NC(=O)OC(C)(C)C ZINC000290266542 257322806 /nfs/dbraw/zinc/32/28/06/257322806.db2.gz VSIXLJWEVUZJLR-JTQLQIEISA-N -1 3 352.366 2.664 20 30 FFEDHM COC(=O)[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000330489421 258164913 /nfs/dbraw/zinc/16/49/13/258164913.db2.gz KQIMAPYRTCRTOW-WBMJQRKESA-N -1 3 370.858 2.612 20 30 FFEDHM CCc1ccc([O-])c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000332382755 258227958 /nfs/dbraw/zinc/22/79/58/258227958.db2.gz HRAGPYLCOKLPGT-UHFFFAOYSA-N -1 3 353.397 2.928 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000333057933 258247361 /nfs/dbraw/zinc/24/73/61/258247361.db2.gz RVRIPVUJKNZZEZ-CQSZACIVSA-N -1 3 353.875 2.507 20 30 FFEDHM C[C@H](C(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1)n1cnc(C#N)n1 ZINC000409754192 512139909 /nfs/dbraw/zinc/13/99/09/512139909.db2.gz NEUIITDMEBXZER-SECBINFHSA-N -1 3 374.307 2.606 20 30 FFEDHM CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000121711290 509180827 /nfs/dbraw/zinc/18/08/27/509180827.db2.gz HUTVWGJLROCFDE-UHFFFAOYSA-N -1 3 364.389 2.654 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000018150597 507140749 /nfs/dbraw/zinc/14/07/49/507140749.db2.gz JYYPZCQLSBJUSM-UHFFFAOYSA-N -1 3 366.465 2.521 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1cccc(Cl)c1 ZINC000047201151 507282538 /nfs/dbraw/zinc/28/25/38/507282538.db2.gz SCTCWMZTESPIDI-UHFFFAOYSA-N -1 3 373.840 2.645 20 30 FFEDHM CCc1c(C)sc([N-]C(=O)c2ccc(CS(C)(=O)=O)o2)c1C#N ZINC000068677236 507297596 /nfs/dbraw/zinc/29/75/96/507297596.db2.gz NKBFYSZOHWOPIR-UHFFFAOYSA-N -1 3 352.437 2.881 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000108246674 507882766 /nfs/dbraw/zinc/88/27/66/507882766.db2.gz MNCHHNBQYNLTAQ-UHFFFAOYSA-N -1 3 369.469 2.757 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000079201064 507943310 /nfs/dbraw/zinc/94/33/10/507943310.db2.gz CJCCZGKZVJTFMV-UHFFFAOYSA-N -1 3 367.424 2.783 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(COc2ccccc2)no1 ZINC000109484387 507965371 /nfs/dbraw/zinc/96/53/71/507965371.db2.gz UNBLKIAHOSQLHX-UHFFFAOYSA-N -1 3 350.378 2.611 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Oc1ccccc1F ZINC000080751595 508099932 /nfs/dbraw/zinc/09/99/32/508099932.db2.gz RYOPZEQASYYNIG-LBPRGKRZSA-N -1 3 371.412 2.519 20 30 FFEDHM N#CC1(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CCC1 ZINC000081715213 508205755 /nfs/dbraw/zinc/20/57/55/508205755.db2.gz QWIKEUWHXBYBLJ-UHFFFAOYSA-N -1 3 361.829 2.917 20 30 FFEDHM Cc1nc(C(C)(C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1C ZINC000076478482 508211637 /nfs/dbraw/zinc/21/16/37/508211637.db2.gz JJJDCORTHLSSQI-UHFFFAOYSA-N -1 3 372.494 2.921 20 30 FFEDHM O=C(CNC(=O)c1ccc(F)cc1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076687144 508241773 /nfs/dbraw/zinc/24/17/73/508241773.db2.gz YMUHOHCOECRQNH-UHFFFAOYSA-N -1 3 357.320 2.768 20 30 FFEDHM Cn1c2ccc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc2[nH]c1=O ZINC000113651264 508279144 /nfs/dbraw/zinc/27/91/44/508279144.db2.gz RKIWIBLUQFLGOI-LLVKDONJSA-N -1 3 360.295 2.770 20 30 FFEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000121743175 508408776 /nfs/dbraw/zinc/40/87/76/508408776.db2.gz UAHIZJUWQVSAGZ-GFCCVEGCSA-N -1 3 366.464 2.904 20 30 FFEDHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156618577 508451306 /nfs/dbraw/zinc/45/13/06/508451306.db2.gz CKESBCTWJYSCLO-CYBMUJFWSA-N -1 3 359.407 2.684 20 30 FFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000122002381 508465203 /nfs/dbraw/zinc/46/52/03/508465203.db2.gz WBTCOXXKLSBHCC-SSDOTTSWSA-N -1 3 360.242 2.664 20 30 FFEDHM C=CC[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000116852987 508567999 /nfs/dbraw/zinc/56/79/99/508567999.db2.gz WJRXRTNDFUMXHH-JTQLQIEISA-N -1 3 365.282 2.743 20 30 FFEDHM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157485196 508571980 /nfs/dbraw/zinc/57/19/80/508571980.db2.gz YIELFMLUYQYVSS-GTNSWQLSSA-N -1 3 357.391 2.678 20 30 FFEDHM CCc1cnc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000122962248 508615352 /nfs/dbraw/zinc/61/53/52/508615352.db2.gz QVNPBHRRVZPUPD-UHFFFAOYSA-N -1 3 355.872 2.752 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3OCC[C@@H]32)c(C(F)(F)F)c1 ZINC000129162180 508692124 /nfs/dbraw/zinc/69/21/24/508692124.db2.gz WMKVIGFMRDISRE-XBFCOCLRSA-N -1 3 374.384 2.813 20 30 FFEDHM Cn1cc(Br)cc([N-]C(=O)c2c(F)cc(C#N)cc2F)c1=O ZINC000119468649 508802319 /nfs/dbraw/zinc/80/23/19/508802319.db2.gz LIWGMPFTTMBQTE-UHFFFAOYSA-N -1 3 368.137 2.550 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2O)c(C(F)(F)F)c1 ZINC000159668157 508873461 /nfs/dbraw/zinc/87/34/61/508873461.db2.gz IELISFSLNXDTCJ-UHFFFAOYSA-N -1 3 370.352 2.804 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(Cc2ccccc2)CC1 ZINC000151617348 509053192 /nfs/dbraw/zinc/05/31/92/509053192.db2.gz VXQDRHSHBOBALO-UHFFFAOYSA-N -1 3 363.461 2.935 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000161010547 509059454 /nfs/dbraw/zinc/05/94/54/509059454.db2.gz LGDYITVBTUKNPQ-LLVKDONJSA-N -1 3 371.462 2.635 20 30 FFEDHM Cn1c2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)ccc2[nH]c1=O ZINC000152077796 509141408 /nfs/dbraw/zinc/14/14/08/509141408.db2.gz LTXQKBKKDTYRMU-NSHDSACASA-N -1 3 360.295 2.770 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCn1cnc2ccccc21 ZINC000156200209 509143118 /nfs/dbraw/zinc/14/31/18/509143118.db2.gz VNQBJXRXKGJYRO-UHFFFAOYSA-N -1 3 374.853 2.930 20 30 FFEDHM COCCCN1Cc2cccc(/N=C/c3c([O-])c(C)ncc3CO)c2C1 ZINC000263964183 509252404 /nfs/dbraw/zinc/25/24/04/509252404.db2.gz LGQOOQQLHUZHQD-LSHDLFTRSA-N -1 3 355.438 2.691 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000163335952 509364771 /nfs/dbraw/zinc/36/47/71/509364771.db2.gz VHTVWFGQUVYTMI-DOTOQJQBSA-N -1 3 360.410 2.896 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1c(C)noc1C ZINC000165537745 509573309 /nfs/dbraw/zinc/57/33/09/509573309.db2.gz HEULLSCUTCEPKB-HNNXBMFYSA-N -1 3 351.403 2.873 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000167298243 509627336 /nfs/dbraw/zinc/62/73/36/509627336.db2.gz IREXMMOUZGAGLQ-BMFZPTHFSA-N -1 3 366.870 2.838 20 30 FFEDHM COCc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)n[n-]1 ZINC000268460018 509943423 /nfs/dbraw/zinc/94/34/23/509943423.db2.gz DPPWRIYOEXBOCA-CYBMUJFWSA-N -1 3 359.455 2.687 20 30 FFEDHM Cc1cc(-c2noc([C@@H](C)[N-]S(=O)(=O)CCCCC#N)n2)ccc1F ZINC000268490075 509965004 /nfs/dbraw/zinc/96/50/04/509965004.db2.gz LRSPEEBLSWDOJC-GFCCVEGCSA-N -1 3 366.418 2.858 20 30 FFEDHM COCc1nc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n[n-]1 ZINC000268496378 509969315 /nfs/dbraw/zinc/96/93/15/509969315.db2.gz QMUKPWXMLJEGAV-QMMMGPOBSA-N -1 3 351.819 2.595 20 30 FFEDHM Cc1noc(C)c1C(=O)C(C(=S)[N-]C(C)(C)C)[n+]1cc([O-])ccc1F ZINC000186963880 509976884 /nfs/dbraw/zinc/97/68/84/509976884.db2.gz DUUYBRWGSFZGOO-UHFFFAOYSA-O -1 3 366.438 2.751 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000184325155 510263066 /nfs/dbraw/zinc/26/30/66/510263066.db2.gz CFYQALABOHNRHH-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000181500423 510441240 /nfs/dbraw/zinc/44/12/40/510441240.db2.gz VWUIVBLALNFJKH-GFCCVEGCSA-N -1 3 366.347 2.643 20 30 FFEDHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000191008228 510463852 /nfs/dbraw/zinc/46/38/52/510463852.db2.gz VWFAFAYCTMOZOJ-SUMWQHHRSA-N -1 3 370.446 2.602 20 30 FFEDHM C=C(C)[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(F)c(F)c1 ZINC000184837552 510538665 /nfs/dbraw/zinc/53/86/65/510538665.db2.gz VUQLFWACWGTUNC-INIZCTEOSA-N -1 3 356.328 2.896 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000178537309 510653378 /nfs/dbraw/zinc/65/33/78/510653378.db2.gz NWNBDVTZGXDBMQ-UHFFFAOYSA-N -1 3 364.405 2.562 20 30 FFEDHM N#Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1[O-] ZINC000188391461 510743210 /nfs/dbraw/zinc/74/32/10/510743210.db2.gz LLMCKBOFEZUFLT-UHFFFAOYSA-N -1 3 359.495 2.745 20 30 FFEDHM C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)C[C@H](C)O1 ZINC000188616821 510844752 /nfs/dbraw/zinc/84/47/52/510844752.db2.gz LCUHBSKCIAPISP-IYBDPMFKSA-N -1 3 371.481 2.615 20 30 FFEDHM CC(F)(F)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000297269836 510880913 /nfs/dbraw/zinc/88/09/13/510880913.db2.gz ZJLPEUUSLGXWPI-UHFFFAOYSA-N -1 3 353.188 2.644 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000330928058 511030118 /nfs/dbraw/zinc/03/01/18/511030118.db2.gz XFFZVIVPXNRGPG-JTQLQIEISA-N -1 3 351.653 2.929 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000285760544 511013689 /nfs/dbraw/zinc/01/36/89/511013689.db2.gz KLDPOCJIEFXJPI-GOSISDBHSA-N -1 3 361.445 2.959 20 30 FFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000290899139 511153325 /nfs/dbraw/zinc/15/33/25/511153325.db2.gz DYLWTTDSJTWHKS-GFCCVEGCSA-N -1 3 363.317 2.584 20 30 FFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1s[n-]c(=O)c1Cl ZINC000282979764 511186287 /nfs/dbraw/zinc/18/62/87/511186287.db2.gz JCSQANFELYWCDB-UHFFFAOYSA-N -1 3 364.858 2.578 20 30 FFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000284352728 511694575 /nfs/dbraw/zinc/69/45/75/511694575.db2.gz QGYANZKFXRPUBX-UHFFFAOYSA-N -1 3 374.890 2.685 20 30 FFEDHM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000322878809 511827932 /nfs/dbraw/zinc/82/79/32/511827932.db2.gz UCEXVIFERYBSBS-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM N#C[C@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CCC[C@@]12CCCCO2 ZINC000366179287 511884245 /nfs/dbraw/zinc/88/42/45/511884245.db2.gz CVKURZONLWMAGU-QUCCMNQESA-N -1 3 351.406 2.596 20 30 FFEDHM CC(=O)N1CCC[C@H](C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)C1 ZINC000328738156 511923850 /nfs/dbraw/zinc/92/38/50/511923850.db2.gz KQBAYBOXJPAEDE-LIRRHRJNSA-N -1 3 372.425 2.501 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000281740063 511949959 /nfs/dbraw/zinc/94/99/59/511949959.db2.gz GWZDZVODPFVSCL-WFASDCNBSA-N -1 3 369.259 2.935 20 30 FFEDHM C[C@@H]1C[C@@H](C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCC1=O ZINC000328936298 511953191 /nfs/dbraw/zinc/95/31/91/511953191.db2.gz FVDSZXCQEUIETG-NEPJUHHUSA-N -1 3 366.439 2.525 20 30 FFEDHM Cc1cccnc1CCc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000351126073 511962589 /nfs/dbraw/zinc/96/25/89/511962589.db2.gz CKBMSSNGPFIFQL-UHFFFAOYSA-N -1 3 363.421 2.933 20 30 FFEDHM C[C@H](NC(=O)[C@H](C)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)c1cc2ccccc2o1 ZINC000329429727 512044513 /nfs/dbraw/zinc/04/45/13/512044513.db2.gz JXPIHASIQWHVAU-SGMGOOAPSA-N -1 3 370.409 2.915 20 30 FFEDHM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000285223967 512044862 /nfs/dbraw/zinc/04/48/62/512044862.db2.gz APTCRBORTWZXDE-ZYHUDNBSSA-N -1 3 362.373 2.528 20 30 FFEDHM CCCc1c(NC([O-])=NOCCOCC)cnn1-c1cccc(C#N)c1 ZINC000376255043 512734663 /nfs/dbraw/zinc/73/46/63/512734663.db2.gz VAUSGRDCPFQTOX-UHFFFAOYSA-N -1 3 357.414 2.786 20 30 FFEDHM CCCc1c(NC(=O)[N-]OCCOCC)cnn1-c1cccc(C#N)c1 ZINC000376255043 512734668 /nfs/dbraw/zinc/73/46/68/512734668.db2.gz VAUSGRDCPFQTOX-UHFFFAOYSA-N -1 3 357.414 2.786 20 30 FFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421249299 513176937 /nfs/dbraw/zinc/17/69/37/513176937.db2.gz LVNAFWVMYRZJNY-GFCCVEGCSA-N -1 3 370.830 2.865 20 30 FFEDHM N#Cc1cc(F)ccc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000440661736 513375163 /nfs/dbraw/zinc/37/51/63/513375163.db2.gz DAWWAJQYGTXTSF-UHFFFAOYSA-N -1 3 371.796 2.880 20 30 FFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000425187610 513442558 /nfs/dbraw/zinc/44/25/58/513442558.db2.gz FVVXHAKKNBRLAA-DTWKUNHWSA-N -1 3 363.317 2.584 20 30 FFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451028246 513468805 /nfs/dbraw/zinc/46/88/05/513468805.db2.gz RHIPAOSBWURXFY-CYBMUJFWSA-N -1 3 361.236 2.700 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000435429196 513582099 /nfs/dbraw/zinc/58/20/99/513582099.db2.gz WLGBCQNJLLCPRA-UKRRQHHQSA-N -1 3 370.402 2.706 20 30 FFEDHM CCCCNC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1 ZINC000435432169 513585232 /nfs/dbraw/zinc/58/52/32/513585232.db2.gz LZBLICXXFAMBKJ-UHFFFAOYSA-N -1 3 369.512 2.517 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000435593919 513628423 /nfs/dbraw/zinc/62/84/23/513628423.db2.gz PJUYMILIOHGJDE-HDJSIYSDSA-N -1 3 357.391 2.691 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000451478110 513774722 /nfs/dbraw/zinc/77/47/22/513774722.db2.gz YGMRIORCSBAAKL-QMMMGPOBSA-N -1 3 353.391 2.836 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(F)(F)F ZINC000416466768 513787351 /nfs/dbraw/zinc/78/73/51/513787351.db2.gz RSSIPZAEPZQWHD-ZETCQYMHSA-N -1 3 371.178 2.797 20 30 FFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416533713 513820699 /nfs/dbraw/zinc/82/06/99/513820699.db2.gz UWUXXFXNACVJPT-UHFFFAOYSA-N -1 3 365.333 2.832 20 30 FFEDHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443065100 513861266 /nfs/dbraw/zinc/86/12/66/513861266.db2.gz DXJLGPFJKNCOFU-CHWSQXEVSA-N -1 3 351.428 2.960 20 30 FFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000443080880 513866184 /nfs/dbraw/zinc/86/61/84/513866184.db2.gz SRMOJLFIUBHMBM-UHFFFAOYSA-N -1 3 367.448 2.578 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000443086882 513867734 /nfs/dbraw/zinc/86/77/34/513867734.db2.gz ICVGPTHLIXIVQA-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM C[C@@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443124794 513878974 /nfs/dbraw/zinc/87/89/74/513878974.db2.gz CDOYOCGUFVOBCH-CHWSQXEVSA-N -1 3 351.428 2.961 20 30 FFEDHM CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Cc1ccccc1 ZINC000451671161 513901896 /nfs/dbraw/zinc/90/18/96/513901896.db2.gz LEYQGRZVSANZNQ-QGZVFWFLSA-N -1 3 350.484 2.638 20 30 FFEDHM N#Cc1csc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000419758361 513908869 /nfs/dbraw/zinc/90/88/69/513908869.db2.gz VXNPEICUBKETGU-UHFFFAOYSA-N -1 3 351.428 2.812 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000443261965 513913956 /nfs/dbraw/zinc/91/39/56/513913956.db2.gz GSBMMOFSTSBMRS-CYBMUJFWSA-N -1 3 372.780 2.502 20 30 FFEDHM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443362490 513948476 /nfs/dbraw/zinc/94/84/76/513948476.db2.gz YMXBKRQQBHCNLO-WBMJQRKESA-N -1 3 356.875 2.941 20 30 FFEDHM C=C(C)CNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000436732075 513961744 /nfs/dbraw/zinc/96/17/44/513961744.db2.gz BYRMTOCHDGPCIA-UHFFFAOYSA-N -1 3 364.401 2.803 20 30 FFEDHM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000451818267 513999977 /nfs/dbraw/zinc/99/99/77/513999977.db2.gz OQGIYBWPZCIHBQ-UKRRQHHQSA-N -1 3 356.875 2.941 20 30 FFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(OC)c(OC)cc1Br ZINC000416944962 514059827 /nfs/dbraw/zinc/05/98/27/514059827.db2.gz VRKGMWSLAUZSFP-MRVPVSSYSA-N -1 3 363.233 2.510 20 30 FFEDHM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1OCCN(C)C ZINC000414387249 514084193 /nfs/dbraw/zinc/08/41/93/514084193.db2.gz IPSRCPCBUDGYKX-UHFFFAOYSA-N -1 3 359.451 2.608 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1(CO)CCC1 ZINC000432284539 514147619 /nfs/dbraw/zinc/14/76/19/514147619.db2.gz IMPGYKDUKYEHTI-GOSISDBHSA-N -1 3 374.437 2.880 20 30 FFEDHM Cn1cc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1C#N ZINC000417555167 514405973 /nfs/dbraw/zinc/40/59/73/514405973.db2.gz LHFBDFSZOWQHDQ-OAHLLOKOSA-N -1 3 362.227 2.965 20 30 FFEDHM C[C@@H]1C[C@]1(C#N)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000449930543 514429442 /nfs/dbraw/zinc/42/94/42/514429442.db2.gz MGMKVXINMHFRIH-ADLMAVQZSA-N -1 3 361.829 2.772 20 30 FFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461111862 514517880 /nfs/dbraw/zinc/51/78/80/514517880.db2.gz LASSABOETJGLKV-CQSZACIVSA-N -1 3 357.273 2.603 20 30 FFEDHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428398884 514466738 /nfs/dbraw/zinc/46/67/38/514466738.db2.gz AEYJZFGIPLZOIF-ZWKOTPCHSA-N -1 3 371.462 2.615 20 30 FFEDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1)OC ZINC000421146818 514503390 /nfs/dbraw/zinc/50/33/90/514503390.db2.gz CPFYLOYOFBINAL-LLVKDONJSA-N -1 3 352.334 2.624 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466519807 514671330 /nfs/dbraw/zinc/67/13/30/514671330.db2.gz RVNVTGHXDZAEKM-ZDUSSCGKSA-N -1 3 352.774 2.763 20 30 FFEDHM COC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)cn1 ZINC000502571019 514699722 /nfs/dbraw/zinc/69/97/22/514699722.db2.gz QCXFWVOMLKCHIF-UHFFFAOYSA-N -1 3 356.407 2.718 20 30 FFEDHM N#Cc1ccc(CC(C#N)C(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1 ZINC000471044220 514729908 /nfs/dbraw/zinc/72/99/08/514729908.db2.gz PPOYNFGNPYSTAG-SFHVURJKSA-N -1 3 353.385 2.758 20 30 FFEDHM N#Cc1ccc(CN2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)cc1 ZINC000508522078 514806983 /nfs/dbraw/zinc/80/69/83/514806983.db2.gz OXTLCMYNKPAOCB-UHFFFAOYSA-N -1 3 369.852 2.804 20 30 FFEDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489867819 515006738 /nfs/dbraw/zinc/00/67/38/515006738.db2.gz CLHZJDPEAUIRMX-ABKXIKBNSA-N -1 3 350.346 2.637 20 30 FFEDHM C[C@H](CC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503447200 515036899 /nfs/dbraw/zinc/03/68/99/515036899.db2.gz KAJTVUDINFBNRX-SNVBAGLBSA-N -1 3 358.847 2.610 20 30 FFEDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503484679 515050173 /nfs/dbraw/zinc/05/01/73/515050173.db2.gz HCEWHOMXLQALNT-OAHLLOKOSA-N -1 3 364.854 2.748 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCc2c(O)cccc21 ZINC000480884710 515125561 /nfs/dbraw/zinc/12/55/61/515125561.db2.gz UOPHKFRDVBEBNU-CQSZACIVSA-N -1 3 373.390 2.528 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCOC1 ZINC000503844305 515151928 /nfs/dbraw/zinc/15/19/28/515151928.db2.gz IUKNPVRNUNWITQ-JQWIXIFHSA-N -1 3 362.373 2.670 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCSCC(F)(F)F)c(Cl)c1 ZINC000503849793 515153110 /nfs/dbraw/zinc/15/31/10/515153110.db2.gz ZMSLKQFJICDPHK-UHFFFAOYSA-N -1 3 358.794 2.785 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccccc1[N+](=O)[O-] ZINC000467975304 515182749 /nfs/dbraw/zinc/18/27/49/515182749.db2.gz OVIHAPLUEDSDHC-UHFFFAOYSA-N -1 3 365.798 2.641 20 30 FFEDHM C=CCC1(CNC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000456484858 515214636 /nfs/dbraw/zinc/21/46/36/515214636.db2.gz JXOWFOGRKKCNFA-CYBMUJFWSA-N -1 3 356.513 2.668 20 30 FFEDHM C[C@]1(c2ccc(CNc3c(Cl)cccc3C#N)cc2)NC(=O)[N-]C1=O ZINC000462806390 515253495 /nfs/dbraw/zinc/25/34/95/515253495.db2.gz XBPXGQCNAYKWRH-GOSISDBHSA-N -1 3 354.797 2.878 20 30 FFEDHM Cn1ncc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c1C#N ZINC000476953488 515262893 /nfs/dbraw/zinc/26/28/93/515262893.db2.gz OUNPVDWYCGZDQF-UHFFFAOYSA-N -1 3 350.363 2.809 20 30 FFEDHM C=C(C)CN(CC)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000481310983 515287276 /nfs/dbraw/zinc/28/72/76/515287276.db2.gz OPUVHVFGYLXDAD-UHFFFAOYSA-N -1 3 368.480 2.858 20 30 FFEDHM N#C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Br)cc1 ZINC000499394652 515308808 /nfs/dbraw/zinc/30/88/08/515308808.db2.gz MDUITJLZUBKQKV-CQSZACIVSA-N -1 3 356.183 2.715 20 30 FFEDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]1 ZINC000486627227 515569490 /nfs/dbraw/zinc/56/94/90/515569490.db2.gz HYVWFQCNSRRFFS-NXEZZACHSA-N -1 3 367.862 2.883 20 30 FFEDHM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccn2)C1 ZINC000478075847 515691421 /nfs/dbraw/zinc/69/14/21/515691421.db2.gz AQRJRDMJOLMSHM-ZBFHGGJFSA-N -1 3 364.453 2.736 20 30 FFEDHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000494338979 515811676 /nfs/dbraw/zinc/81/16/76/515811676.db2.gz CQYXPBYNHPOWOX-SECBINFHSA-N -1 3 365.333 2.866 20 30 FFEDHM N#Cc1c(F)cccc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511333786 515867240 /nfs/dbraw/zinc/86/72/40/515867240.db2.gz NQCSVJQZKWCFSN-UHFFFAOYSA-N -1 3 359.158 2.782 20 30 FFEDHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)nn1-c1cccc(C#N)c1 ZINC000506489010 515897136 /nfs/dbraw/zinc/89/71/36/515897136.db2.gz TVRZXVHBLIFURK-UHFFFAOYSA-N -1 3 350.353 2.827 20 30 FFEDHM CN(C)C(=O)COc1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483206252 515986208 /nfs/dbraw/zinc/98/62/08/515986208.db2.gz TXQTYFJGOFBCJU-OAHLLOKOSA-N -1 3 374.400 2.587 20 30 FFEDHM C=CCCN(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000469893169 516018572 /nfs/dbraw/zinc/01/85/72/516018572.db2.gz ZOHQXVATUKCHJB-UHFFFAOYSA-N -1 3 359.451 2.986 20 30 FFEDHM C=C[C@H](C)NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000465146102 516077433 /nfs/dbraw/zinc/07/74/33/516077433.db2.gz NEEFMJHVDNDZQG-LBPRGKRZSA-N -1 3 358.442 2.581 20 30 FFEDHM C=CCCS(=O)(=O)[N-][C@@H](C[C@H]1CCCc2ccccc21)C(=O)OC ZINC000460938290 516286930 /nfs/dbraw/zinc/28/69/30/516286930.db2.gz SNSHRYMAODEFLK-WBVHZDCISA-N -1 3 351.468 2.534 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000543623494 516333748 /nfs/dbraw/zinc/33/37/48/516333748.db2.gz FRMGRFHZWKAWJR-CYBMUJFWSA-N -1 3 372.780 2.502 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000550824937 516443977 /nfs/dbraw/zinc/44/39/77/516443977.db2.gz SFRSMIKUXJKNKQ-UHFFFAOYSA-N -1 3 351.225 2.799 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000540216707 516480195 /nfs/dbraw/zinc/48/01/95/516480195.db2.gz BTLABMIRPAAGQH-HNNXBMFYSA-N -1 3 370.352 2.642 20 30 FFEDHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)c(F)c1 ZINC000540464170 516567109 /nfs/dbraw/zinc/56/71/09/516567109.db2.gz DIUOYKDXFKIUBN-UHFFFAOYSA-N -1 3 370.409 2.874 20 30 FFEDHM C=CCCOCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000536067089 516615605 /nfs/dbraw/zinc/61/56/05/516615605.db2.gz ZNFZJGUFUBMANK-UHFFFAOYSA-N -1 3 365.227 2.613 20 30 FFEDHM CC#CCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000540573481 516626371 /nfs/dbraw/zinc/62/63/71/516626371.db2.gz SUGFOFZDTYHWML-UHFFFAOYSA-N -1 3 353.603 2.697 20 30 FFEDHM CC#CCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000540573481 516626383 /nfs/dbraw/zinc/62/63/83/516626383.db2.gz SUGFOFZDTYHWML-UHFFFAOYSA-N -1 3 353.603 2.697 20 30 FFEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000544724777 516896202 /nfs/dbraw/zinc/89/62/02/516896202.db2.gz HAEBWNMPHMJFIW-CZUORRHYSA-N -1 3 354.447 2.905 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000544725405 516896590 /nfs/dbraw/zinc/89/65/90/516896590.db2.gz GLGWDTMIBPIGOB-CVEARBPZSA-N -1 3 370.421 2.798 20 30 FFEDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccc(C#N)c3)cs2)n1 ZINC000536820171 516945463 /nfs/dbraw/zinc/94/54/63/516945463.db2.gz IIXDAVWSCVHLPG-UHFFFAOYSA-N -1 3 354.351 2.576 20 30 FFEDHM N#C[C@@H]1N(C(=O)c2c[n-]c3ccccc3c2=O)CCC[C@]12CCCCO2 ZINC000548386516 516948555 /nfs/dbraw/zinc/94/85/55/516948555.db2.gz ANOIHCJGQZSEHS-FXAWDEMLSA-N -1 3 351.406 2.596 20 30 FFEDHM N#Cc1cccc(N2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)n1 ZINC000525931458 517241439 /nfs/dbraw/zinc/24/14/39/517241439.db2.gz UCUGEVJYMCPBIS-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)s1 ZINC000559578636 517323676 /nfs/dbraw/zinc/32/36/76/517323676.db2.gz ZGCBSZSYCXAAOL-CYBMUJFWSA-N -1 3 367.521 2.797 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c(F)c1 ZINC000556391327 517405515 /nfs/dbraw/zinc/40/55/15/517405515.db2.gz ALNXMCHBQRJMRO-UHFFFAOYSA-N -1 3 362.411 2.627 20 30 FFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N(C)Cc1ccc(C#N)cc1)c2=O ZINC000538122115 517472868 /nfs/dbraw/zinc/47/28/68/517472868.db2.gz NGFKATMARARPAD-UHFFFAOYSA-N -1 3 365.364 2.820 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000538226669 517514619 /nfs/dbraw/zinc/51/46/19/517514619.db2.gz VTPQXBUZXYIOIE-UHFFFAOYSA-N -1 3 352.350 2.562 20 30 FFEDHM C=CCOc1cccnc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000538226669 517514622 /nfs/dbraw/zinc/51/46/22/517514622.db2.gz VTPQXBUZXYIOIE-UHFFFAOYSA-N -1 3 352.350 2.562 20 30 FFEDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000538283810 517540724 /nfs/dbraw/zinc/54/07/24/517540724.db2.gz PTXGYSSOMYYCAS-PIGZYNQJSA-N -1 3 366.389 2.891 20 30 FFEDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cn1C ZINC000546154406 517572541 /nfs/dbraw/zinc/57/25/41/517572541.db2.gz YXFJREBHTDDBRE-UHFFFAOYSA-N -1 3 367.814 2.528 20 30 FFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000530155044 517596653 /nfs/dbraw/zinc/59/66/53/517596653.db2.gz YQISELOIRQTSJO-SECBINFHSA-N -1 3 352.334 2.564 20 30 FFEDHM C[C@@]1(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000556791629 517661456 /nfs/dbraw/zinc/66/14/56/517661456.db2.gz KHFQSZJATFYIPE-SFHVURJKSA-N -1 3 368.780 2.519 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C[S@](C)=O ZINC000546528291 517713416 /nfs/dbraw/zinc/71/34/16/517713416.db2.gz KZBDCPAFYOOMCS-SANMLTNESA-N -1 3 371.462 2.726 20 30 FFEDHM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000576044552 518402160 /nfs/dbraw/zinc/40/21/60/518402160.db2.gz XFEAVMCKGJSDTC-CYBMUJFWSA-N -1 3 351.472 2.896 20 30 FFEDHM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3c[n-]nc3-c3ccccn3)n2)c1 ZINC000567287977 518447933 /nfs/dbraw/zinc/44/79/33/518447933.db2.gz ZZQOKZVOHBWPCU-UHFFFAOYSA-N -1 3 369.388 2.663 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccc2c[nH]nc2c1 ZINC000585739857 518580438 /nfs/dbraw/zinc/58/04/38/518580438.db2.gz UPXHYDICNMVYKV-UHFFFAOYSA-N -1 3 360.826 2.609 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000570523936 518648943 /nfs/dbraw/zinc/64/89/43/518648943.db2.gz SXWRKOGGLZGLCZ-MNOVXSKESA-N -1 3 355.765 2.981 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000570555531 518665311 /nfs/dbraw/zinc/66/53/11/518665311.db2.gz RFICSVOHLJXUNP-GFCCVEGCSA-N -1 3 354.391 2.648 20 30 FFEDHM Cc1cc(Br)ccc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000588115166 518728016 /nfs/dbraw/zinc/72/80/16/518728016.db2.gz QYIAEKIGYURXHQ-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C[C@H](C)O1 ZINC000588121486 518729030 /nfs/dbraw/zinc/72/90/30/518729030.db2.gz HJVBOAYGNRLTRD-JGPRNRPPSA-N -1 3 373.272 2.555 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCCCCC#N)cc1OC ZINC000588152788 518736756 /nfs/dbraw/zinc/73/67/56/518736756.db2.gz WBZCHOXQACRTMO-UHFFFAOYSA-N -1 3 353.444 2.869 20 30 FFEDHM Cc1[n-][nH]c(=NC(=O)c2ccccc2OCCN2CCCC[C@H]2C)c1C#N ZINC000588718067 518814740 /nfs/dbraw/zinc/81/47/40/518814740.db2.gz RCUOSRUITGBSFD-CQSZACIVSA-N -1 3 367.453 2.517 20 30 FFEDHM C=CCC[C@H](NC(=O)NCCN1CCC2(CCCCC2)CC1)C(=O)[O-] ZINC000580044572 518975799 /nfs/dbraw/zinc/97/57/99/518975799.db2.gz WSKPAHKXNVFMOT-INIZCTEOSA-N -1 3 351.491 2.751 20 30 FFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000589596491 519038060 /nfs/dbraw/zinc/03/80/60/519038060.db2.gz CEQYFFGFGPBLTB-AWEZNQCLSA-N -1 3 373.272 2.818 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCN(c3ccccc3)CC2)s1 ZINC000580391479 519148590 /nfs/dbraw/zinc/14/85/90/519148590.db2.gz VYGCASSPMBZUTR-UHFFFAOYSA-N -1 3 361.492 2.815 20 30 FFEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c1 ZINC000583596834 519329340 /nfs/dbraw/zinc/32/93/40/519329340.db2.gz FNIZGQOPXZEFAA-UHFFFAOYSA-N -1 3 374.166 2.795 20 30 FFEDHM N#Cc1ccncc1N1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000583971441 519524280 /nfs/dbraw/zinc/52/42/80/519524280.db2.gz QTDSMEXAEWUMSL-UHFFFAOYSA-N -1 3 362.355 3.000 20 30 FFEDHM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)CCOCC3CC3)cn2)cc1 ZINC000591590121 519960902 /nfs/dbraw/zinc/96/09/02/519960902.db2.gz CFXQWRZBPCDZII-UHFFFAOYSA-N -1 3 373.434 2.914 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594482723 519990610 /nfs/dbraw/zinc/99/06/10/519990610.db2.gz DLOILGKYDHXRKG-HUUCEWRRSA-N -1 3 353.875 2.507 20 30 FFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)(C)C ZINC000594482878 519992693 /nfs/dbraw/zinc/99/26/93/519992693.db2.gz AZYDWWRCQXHCGW-NSHDSACASA-N -1 3 358.485 2.512 20 30 FFEDHM N#Cc1ccc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCC2)cc1 ZINC000594492898 520002666 /nfs/dbraw/zinc/00/26/66/520002666.db2.gz HGCFBWGFBOELSY-UHFFFAOYSA-N -1 3 363.420 2.886 20 30 FFEDHM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(=O)[n-]cn1 ZINC000600036286 520012116 /nfs/dbraw/zinc/01/21/16/520012116.db2.gz BEWGTUQJTXYOKN-SNVBAGLBSA-N -1 3 350.300 2.755 20 30 FFEDHM N#Cc1c2c(cnc1NC1CCN(C(=O)c3ccccc3[O-])CC1)CCC2 ZINC000591818944 520050484 /nfs/dbraw/zinc/05/04/84/520050484.db2.gz SOIIIDSOTCZFCE-UHFFFAOYSA-N -1 3 362.433 2.864 20 30 FFEDHM Cn1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c2ccccc21 ZINC000612687605 520090411 /nfs/dbraw/zinc/09/04/11/520090411.db2.gz UOWHEFKKFIBSRT-UHFFFAOYSA-N -1 3 360.826 2.577 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(C)(C)O ZINC000594776902 520150348 /nfs/dbraw/zinc/15/03/48/520150348.db2.gz OFLKIOPUEMOLAQ-AWEZNQCLSA-N -1 3 352.481 2.909 20 30 FFEDHM COC1CC(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000594788409 520157890 /nfs/dbraw/zinc/15/78/90/520157890.db2.gz BTELQEQNAPQONV-UHFFFAOYSA-N -1 3 362.373 2.670 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1(CO)CC=CC1 ZINC000592096649 520181209 /nfs/dbraw/zinc/18/12/09/520181209.db2.gz ABDCZFSKRRNLKZ-MRXNPFEDSA-N -1 3 368.886 2.843 20 30 FFEDHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000592112018 520190336 /nfs/dbraw/zinc/19/03/36/520190336.db2.gz KRMSKQFUNATYGS-KCJUWKMLSA-N -1 3 350.387 2.749 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(F)c1 ZINC000594884387 520205758 /nfs/dbraw/zinc/20/57/58/520205758.db2.gz QPQPWHRJWBXAPV-UHFFFAOYSA-N -1 3 368.430 2.755 20 30 FFEDHM C=CCOc1ccccc1CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000600454404 520274957 /nfs/dbraw/zinc/27/49/57/520274957.db2.gz ABOBGGVUIRKVMZ-UHFFFAOYSA-N -1 3 360.435 2.553 20 30 FFEDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000595352329 520423101 /nfs/dbraw/zinc/42/31/01/520423101.db2.gz CIRVCBDDUBQXIQ-QZTJIDSGSA-N -1 3 362.426 2.734 20 30 FFEDHM C=CCCC1(CNC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCCC1 ZINC000617417329 520486542 /nfs/dbraw/zinc/48/65/42/520486542.db2.gz UWWIAWPYBHLAOB-HXUWFJFHSA-N -1 3 369.465 2.998 20 30 FFEDHM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084237 520533067 /nfs/dbraw/zinc/53/30/67/520533067.db2.gz CPUODGROGVLBEJ-CQSZACIVSA-N -1 3 362.382 2.508 20 30 FFEDHM Cc1nc([N-]C(=O)COc2ccc(Cl)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000610110001 520544433 /nfs/dbraw/zinc/54/44/33/520544433.db2.gz NCTALXDROIMSAQ-UHFFFAOYSA-N -1 3 367.796 2.540 20 30 FFEDHM N#Cc1cccc(COc2cccc(CN[C@H](C(=O)[O-])[C@H]3CCCO3)c2)c1 ZINC000600943031 520549895 /nfs/dbraw/zinc/54/98/95/520549895.db2.gz POCVMNCDFUELSG-UXHICEINSA-N -1 3 366.417 2.859 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(I)ccc1[O-] ZINC000610485753 520712153 /nfs/dbraw/zinc/71/21/53/520712153.db2.gz CYXNCMWZCNVORO-VIFPVBQESA-N -1 3 361.179 2.917 20 30 FFEDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)cs1 ZINC000601366534 520759161 /nfs/dbraw/zinc/75/91/61/520759161.db2.gz DQRGIAOHIQJWCA-JTQLQIEISA-N -1 3 369.443 2.648 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)c1ccco1 ZINC000601387836 520771207 /nfs/dbraw/zinc/77/12/07/520771207.db2.gz HBSPFHKTRHVFSB-CQSZACIVSA-N -1 3 352.387 2.655 20 30 FFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)s1 ZINC000614080225 520789536 /nfs/dbraw/zinc/78/95/36/520789536.db2.gz LGHWDPRNPDBRGW-HWWQOWPSSA-N -1 3 369.512 2.696 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c([nH]c2=O)CCCC3)c(Cl)c1 ZINC000593286257 520883813 /nfs/dbraw/zinc/88/38/13/520883813.db2.gz YDSANAQGGHDOKI-UHFFFAOYSA-N -1 3 363.826 2.992 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3cc(O)ccc3C2)c1 ZINC000618180043 520920381 /nfs/dbraw/zinc/92/03/81/520920381.db2.gz IWOKWWASUWABCE-CQSZACIVSA-N -1 3 362.838 2.753 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000614557969 521026466 /nfs/dbraw/zinc/02/64/66/521026466.db2.gz UGELADJNQRFTBD-LBPRGKRZSA-N -1 3 372.874 2.583 20 30 FFEDHM CCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593528602 521052922 /nfs/dbraw/zinc/05/29/22/521052922.db2.gz ODRMZTPYJKONFQ-UHFFFAOYSA-N -1 3 352.437 2.506 20 30 FFEDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccsc2C#N)n1 ZINC000593545881 521065939 /nfs/dbraw/zinc/06/59/39/521065939.db2.gz YXNGDPMACVKYQT-UHFFFAOYSA-N -1 3 355.510 2.895 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000593547341 521067629 /nfs/dbraw/zinc/06/76/29/521067629.db2.gz VOTUIDKEKXMXEW-CYBMUJFWSA-N -1 3 365.455 2.706 20 30 FFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2cc(F)ccc2O1 ZINC000593635529 521123072 /nfs/dbraw/zinc/12/30/72/521123072.db2.gz GKXPUQASFFWGGS-CYBMUJFWSA-N -1 3 350.371 2.871 20 30 FFEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cn(CCCC#N)c3ccccc13)C2 ZINC000602194677 521201303 /nfs/dbraw/zinc/20/13/03/521201303.db2.gz KKJPABISKPYAQK-UHFFFAOYSA-N -1 3 361.405 2.905 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000599481728 521249207 /nfs/dbraw/zinc/24/92/07/521249207.db2.gz ILYNAXNGMNBXIH-HIFRSBDPSA-N -1 3 362.476 2.927 20 30 FFEDHM C[C@]1(c2cccc(NC(=O)CC3(C#N)CCCCC3)c2)NC(=O)[N-]C1=O ZINC000596810583 521301290 /nfs/dbraw/zinc/30/12/90/521301290.db2.gz SPBDSBAXCGBUMD-GOSISDBHSA-N -1 3 354.410 2.544 20 30 FFEDHM COc1ccc2c(c1)CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C2 ZINC000612143679 521504335 /nfs/dbraw/zinc/50/43/35/521504335.db2.gz CUYMNGXKTLDNIU-MRXNPFEDSA-N -1 3 360.410 2.542 20 30 FFEDHM N#Cc1cccc(OC2CCN(C(=O)c3ccc4[nH][n-]c(=O)c4c3)CC2)c1 ZINC000597157916 521543526 /nfs/dbraw/zinc/54/35/26/521543526.db2.gz UFHFXPZWPWQUCH-UHFFFAOYSA-N -1 3 362.389 2.824 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1noc(-c2ccccc2)n1 ZINC000619491020 521594992 /nfs/dbraw/zinc/59/49/92/521594992.db2.gz BYQMYBMWWVMLSE-ZDUSSCGKSA-N -1 3 368.418 2.842 20 30 FFEDHM C=C[C@@H](Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OC ZINC000619699506 521829731 /nfs/dbraw/zinc/82/97/31/521829731.db2.gz FCBPUTPPVJIQPN-QGZVFWFLSA-N -1 3 360.435 2.935 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)c3cccc4nn[n-]c43)n2)c(Cl)c1 ZINC000525873464 562258164 /nfs/dbraw/zinc/25/81/64/562258164.db2.gz NPSDRTBMLVQGJH-UHFFFAOYSA-N -1 3 363.768 2.921 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)c3cccc4[n-]nnc43)n2)c(Cl)c1 ZINC000525873464 562258165 /nfs/dbraw/zinc/25/81/65/562258165.db2.gz NPSDRTBMLVQGJH-UHFFFAOYSA-N -1 3 363.768 2.921 20 30 FFEDHM N#Cc1ccc(-n2ccc(NC(=O)c3cccc4n[n-]nc43)n2)c(Cl)c1 ZINC000525873464 562258166 /nfs/dbraw/zinc/25/81/66/562258166.db2.gz NPSDRTBMLVQGJH-UHFFFAOYSA-N -1 3 363.768 2.921 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000737715587 598915545 /nfs/dbraw/zinc/91/55/45/598915545.db2.gz BRFVIPCRXZTLMK-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1ccc(NC(=O)CCc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000737715587 598915547 /nfs/dbraw/zinc/91/55/47/598915547.db2.gz BRFVIPCRXZTLMK-UHFFFAOYSA-N -1 3 354.320 2.588 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737718426 598919100 /nfs/dbraw/zinc/91/91/00/598919100.db2.gz JCWFVSUNJLXOCS-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737718426 598919102 /nfs/dbraw/zinc/91/91/02/598919102.db2.gz JCWFVSUNJLXOCS-UHFFFAOYSA-N -1 3 374.282 2.889 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2c[nH]c3ccccc23)ccc1-c1nnn[n-]1 ZINC000737704521 598920175 /nfs/dbraw/zinc/92/01/75/598920175.db2.gz JQOAHEHDJXYIOJ-UHFFFAOYSA-N -1 3 357.377 2.791 20 30 FFEDHM N#Cc1cc(NC(=O)CCc2c[nH]c3ccccc23)ccc1-c1nn[n-]n1 ZINC000737704521 598920177 /nfs/dbraw/zinc/92/01/77/598920177.db2.gz JQOAHEHDJXYIOJ-UHFFFAOYSA-N -1 3 357.377 2.791 20 30 FFEDHM Cc1cc(Br)oc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737231870 598921430 /nfs/dbraw/zinc/92/14/30/598921430.db2.gz SSQHDUWHYYJMKW-UHFFFAOYSA-N -1 3 373.170 2.655 20 30 FFEDHM Cc1cc(Br)oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737231870 598921432 /nfs/dbraw/zinc/92/14/32/598921432.db2.gz SSQHDUWHYYJMKW-UHFFFAOYSA-N -1 3 373.170 2.655 20 30 FFEDHM COc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCCO2 ZINC000821849477 607254452 /nfs/dbraw/zinc/25/44/52/607254452.db2.gz JVJIFTNFBNPVFK-UHFFFAOYSA-N -1 3 364.409 2.542 20 30 FFEDHM COc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCCO2 ZINC000821849477 607254453 /nfs/dbraw/zinc/25/44/53/607254453.db2.gz JVJIFTNFBNPVFK-UHFFFAOYSA-N -1 3 364.409 2.542 20 30 FFEDHM C[C@](C#N)(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000735505895 598969623 /nfs/dbraw/zinc/96/96/23/598969623.db2.gz XGMRIQYOIUBAAG-YAINUAMHSA-N -1 3 350.426 2.859 20 30 FFEDHM C[C@](C#N)(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000735505895 598969624 /nfs/dbraw/zinc/96/96/24/598969624.db2.gz XGMRIQYOIUBAAG-YAINUAMHSA-N -1 3 350.426 2.859 20 30 FFEDHM N#CCN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000737693351 598999170 /nfs/dbraw/zinc/99/91/70/598999170.db2.gz NVWSXWFKRAWTPY-UHFFFAOYSA-N -1 3 374.404 2.574 20 30 FFEDHM Cc1c(NCC(=O)Nc2cc(Cl)ccc2C#N)cccc1-c1nnn[n-]1 ZINC000822123219 607258086 /nfs/dbraw/zinc/25/80/86/607258086.db2.gz WANYYKWPLHCCDN-UHFFFAOYSA-N -1 3 367.800 2.751 20 30 FFEDHM Cc1c(NCC(=O)Nc2cc(Cl)ccc2C#N)cccc1-c1nn[n-]n1 ZINC000822123219 607258087 /nfs/dbraw/zinc/25/80/87/607258087.db2.gz WANYYKWPLHCCDN-UHFFFAOYSA-N -1 3 367.800 2.751 20 30 FFEDHM COc1ccc(C=C2COc3c(F)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737081564 599155378 /nfs/dbraw/zinc/15/53/78/599155378.db2.gz GHFIJOJQXGQCFA-XFFZJAGNSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1ccc(C=C2COc3c(F)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737081564 599155381 /nfs/dbraw/zinc/15/53/81/599155381.db2.gz GHFIJOJQXGQCFA-XFFZJAGNSA-N -1 3 352.325 2.673 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201625 598377417 /nfs/dbraw/zinc/37/74/17/598377417.db2.gz FCPWGDHIBNDDFE-HJWRWDBZSA-N -1 3 364.365 2.727 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201625 598377419 /nfs/dbraw/zinc/37/74/19/598377419.db2.gz FCPWGDHIBNDDFE-HJWRWDBZSA-N -1 3 364.365 2.727 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000737675750 598536765 /nfs/dbraw/zinc/53/67/65/598536765.db2.gz RORVRGJHQWVZKK-QGZVFWFLSA-N -1 3 360.377 2.691 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000737675750 598536767 /nfs/dbraw/zinc/53/67/67/598536767.db2.gz RORVRGJHQWVZKK-QGZVFWFLSA-N -1 3 360.377 2.691 20 30 FFEDHM C=CCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735432967 598536865 /nfs/dbraw/zinc/53/68/65/598536865.db2.gz XMRBITPIOPXCEO-UHFFFAOYSA-N -1 3 366.450 2.918 20 30 FFEDHM C=CCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735432967 598536867 /nfs/dbraw/zinc/53/68/67/598536867.db2.gz XMRBITPIOPXCEO-UHFFFAOYSA-N -1 3 366.450 2.918 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735429381 598559618 /nfs/dbraw/zinc/55/96/18/598559618.db2.gz SYFMGXPSRORULQ-CYBMUJFWSA-N -1 3 364.409 2.762 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735429381 598559619 /nfs/dbraw/zinc/55/96/19/598559619.db2.gz SYFMGXPSRORULQ-CYBMUJFWSA-N -1 3 364.409 2.762 20 30 FFEDHM C=CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735437140 598678069 /nfs/dbraw/zinc/67/80/69/598678069.db2.gz XXZGCSUOGPNYSI-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM C=CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735437140 598678070 /nfs/dbraw/zinc/67/80/70/598678070.db2.gz XXZGCSUOGPNYSI-UHFFFAOYSA-N -1 3 352.354 2.952 20 30 FFEDHM N#Cc1cccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737730954 598713919 /nfs/dbraw/zinc/71/39/19/598713919.db2.gz TVXFYSKYZAMIGH-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM N#Cc1cccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737730954 598713921 /nfs/dbraw/zinc/71/39/21/598713921.db2.gz TVXFYSKYZAMIGH-UHFFFAOYSA-N -1 3 351.391 2.574 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)cc1F ZINC000737804937 599462288 /nfs/dbraw/zinc/46/22/88/599462288.db2.gz FDDRTUZNTGFSKE-HWKANZROSA-N -1 3 352.304 2.689 20 30 FFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)cc1F ZINC000737804937 599462290 /nfs/dbraw/zinc/46/22/90/599462290.db2.gz FDDRTUZNTGFSKE-HWKANZROSA-N -1 3 352.304 2.689 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2SCCc3sccc32)ccc1-c1nnn[n-]1 ZINC000822822867 599631336 /nfs/dbraw/zinc/63/13/36/599631336.db2.gz FWWBKVQAAUGTPK-AWEZNQCLSA-N -1 3 368.447 2.769 20 30 FFEDHM N#Cc1cc(NC(=O)[C@H]2SCCc3sccc32)ccc1-c1nn[n-]n1 ZINC000822822867 599631337 /nfs/dbraw/zinc/63/13/37/599631337.db2.gz FWWBKVQAAUGTPK-AWEZNQCLSA-N -1 3 368.447 2.769 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000826257266 607401554 /nfs/dbraw/zinc/40/15/54/607401554.db2.gz VKIMNSRTYPOQAB-ZDUSSCGKSA-N -1 3 363.377 2.671 20 30 FFEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000826257266 607401556 /nfs/dbraw/zinc/40/15/56/607401556.db2.gz VKIMNSRTYPOQAB-ZDUSSCGKSA-N -1 3 363.377 2.671 20 30 FFEDHM C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498413 607458807 /nfs/dbraw/zinc/45/88/07/607458807.db2.gz GWYODOJAVYYOAM-ZDUSSCGKSA-N -1 3 373.420 2.788 20 30 FFEDHM C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498413 607458809 /nfs/dbraw/zinc/45/88/09/607458809.db2.gz GWYODOJAVYYOAM-ZDUSSCGKSA-N -1 3 373.420 2.788 20 30 FFEDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccccc1 ZINC000826044292 601202224 /nfs/dbraw/zinc/20/22/24/601202224.db2.gz DTTYOLYWCQSNGN-CRAIPNDOSA-N -1 3 357.454 2.723 20 30 FFEDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000826045420 601655320 /nfs/dbraw/zinc/65/53/20/601655320.db2.gz TVVQHSUJFVBDPB-OXJNMPFZSA-N -1 3 365.433 2.985 20 30 FFEDHM COc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1C#N ZINC000826204781 607560580 /nfs/dbraw/zinc/56/05/80/607560580.db2.gz ZQWWPQNFPSRTFR-UHFFFAOYSA-N -1 3 357.377 2.907 20 30 FFEDHM COc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1C#N ZINC000826204781 607560582 /nfs/dbraw/zinc/56/05/82/607560582.db2.gz ZQWWPQNFPSRTFR-UHFFFAOYSA-N -1 3 357.377 2.907 20 30 FFEDHM N#CC(C(=O)CC1(NC(=O)[O-])CCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000831066542 604254026 /nfs/dbraw/zinc/25/40/26/604254026.db2.gz XXHHHLLVSWKLBS-JTQLQIEISA-N -1 3 367.764 2.707 20 30 FFEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820015883 606168461 /nfs/dbraw/zinc/16/84/61/606168461.db2.gz HOESNIZZPAVJNE-INIZCTEOSA-N -1 3 367.365 2.744 20 30 FFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822924251 606391555 /nfs/dbraw/zinc/39/15/55/606391555.db2.gz ZLSRGNMEUSLULX-RJRFIUFISA-N -1 3 367.312 2.944 20 30 FFEDHM CC[C@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820842600 606614430 /nfs/dbraw/zinc/61/44/30/606614430.db2.gz ODOXUCJCRPFCKI-MRXNPFEDSA-N -1 3 363.377 2.905 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000819745451 606629196 /nfs/dbraw/zinc/62/91/96/606629196.db2.gz DLGUZHLAAOGFCS-MSOLQXFVSA-N -1 3 366.469 2.603 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000819745451 606629199 /nfs/dbraw/zinc/62/91/99/606629199.db2.gz DLGUZHLAAOGFCS-MSOLQXFVSA-N -1 3 366.469 2.603 20 30 FFEDHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000820500823 606684895 /nfs/dbraw/zinc/68/48/95/606684895.db2.gz GXOGICGSKMLGPT-VIFPVBQESA-N -1 3 355.304 2.935 20 30 FFEDHM C[C@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000820500823 606684896 /nfs/dbraw/zinc/68/48/96/606684896.db2.gz GXOGICGSKMLGPT-VIFPVBQESA-N -1 3 355.304 2.935 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000822221164 606703311 /nfs/dbraw/zinc/70/33/11/606703311.db2.gz DBUUGYNKGFACRX-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000822221164 606703313 /nfs/dbraw/zinc/70/33/13/606703313.db2.gz DBUUGYNKGFACRX-UHFFFAOYSA-N -1 3 358.365 2.709 20 30 FFEDHM C=CCn1c(C)nnc1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819758606 606835667 /nfs/dbraw/zinc/83/56/67/606835667.db2.gz AXYFWKAPOHFYTB-UHFFFAOYSA-N -1 3 357.443 2.514 20 30 FFEDHM C=CCn1c(C)nnc1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819758606 606835668 /nfs/dbraw/zinc/83/56/68/606835668.db2.gz AXYFWKAPOHFYTB-UHFFFAOYSA-N -1 3 357.443 2.514 20 30 FFEDHM N#CCOc1cc(F)ccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822810758 606866368 /nfs/dbraw/zinc/86/63/68/606866368.db2.gz MHZBFUIXZZYHHB-UHFFFAOYSA-N -1 3 368.372 2.789 20 30 FFEDHM N#CCOc1cc(F)ccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822810758 606866369 /nfs/dbraw/zinc/86/63/69/606866369.db2.gz MHZBFUIXZZYHHB-UHFFFAOYSA-N -1 3 368.372 2.789 20 30 FFEDHM CCc1nnc(Sc2ccc(-c3nnn[n-]3)cc2F)c(C#N)c1CC ZINC000821547731 606938950 /nfs/dbraw/zinc/93/89/50/606938950.db2.gz AXQSLJFWCHLNEP-UHFFFAOYSA-N -1 3 355.402 2.943 20 30 FFEDHM CCc1nnc(Sc2ccc(-c3nn[n-]n3)cc2F)c(C#N)c1CC ZINC000821547731 606938951 /nfs/dbraw/zinc/93/89/51/606938951.db2.gz AXQSLJFWCHLNEP-UHFFFAOYSA-N -1 3 355.402 2.943 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819758866 606993169 /nfs/dbraw/zinc/99/31/69/606993169.db2.gz IOYJJSZPMKDPOC-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819758866 606993170 /nfs/dbraw/zinc/99/31/70/606993170.db2.gz IOYJJSZPMKDPOC-UHFFFAOYSA-N -1 3 354.341 2.928 20 30 FFEDHM N#Cc1cccc(S[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000822836924 607015476 /nfs/dbraw/zinc/01/54/76/607015476.db2.gz APNXEUHXPDYSCV-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1cccc(S[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000822836924 607015477 /nfs/dbraw/zinc/01/54/77/607015477.db2.gz APNXEUHXPDYSCV-INIZCTEOSA-N -1 3 362.418 2.636 20 30 FFEDHM N#Cc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822837927 607195889 /nfs/dbraw/zinc/19/58/89/607195889.db2.gz ZAJHTPHJLOKZBC-UHFFFAOYSA-N -1 3 353.773 2.713 20 30 FFEDHM N#Cc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822837927 607195890 /nfs/dbraw/zinc/19/58/90/607195890.db2.gz ZAJHTPHJLOKZBC-UHFFFAOYSA-N -1 3 353.773 2.713 20 30 FFEDHM Cc1ccc(F)c(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826289994 607886901 /nfs/dbraw/zinc/88/69/01/607886901.db2.gz VKKLHXFNJLHNPE-UHFFFAOYSA-N -1 3 355.402 2.635 20 30 FFEDHM Cc1ccc(F)c(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826289994 607886902 /nfs/dbraw/zinc/88/69/02/607886902.db2.gz VKKLHXFNJLHNPE-UHFFFAOYSA-N -1 3 355.402 2.635 20 30 FFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)OCCO2 ZINC000826400933 607916090 /nfs/dbraw/zinc/91/60/90/607916090.db2.gz LFPXOHYBFVXFAO-GORDUTHDSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC000826400933 607916091 /nfs/dbraw/zinc/91/60/91/607916091.db2.gz LFPXOHYBFVXFAO-GORDUTHDSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ncc(Br)s1 ZINC000826400628 607930620 /nfs/dbraw/zinc/93/06/20/607930620.db2.gz CYMWNLLPUHUUHB-PLNGDYQASA-N -1 3 362.212 2.982 20 30 FFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ncc(Br)s1 ZINC000826400628 607930621 /nfs/dbraw/zinc/93/06/21/607930621.db2.gz CYMWNLLPUHUUHB-PLNGDYQASA-N -1 3 362.212 2.982 20 30 FFEDHM Cc1sc(NC(=O)Cc2cccc(OCC#N)c2)c(-c2nnn[n-]2)c1C ZINC000826349548 608024529 /nfs/dbraw/zinc/02/45/29/608024529.db2.gz LVQLEIVXYJSTRT-UHFFFAOYSA-N -1 3 368.422 2.629 20 30 FFEDHM Cc1sc(NC(=O)Cc2cccc(OCC#N)c2)c(-c2nn[n-]n2)c1C ZINC000826349548 608024530 /nfs/dbraw/zinc/02/45/30/608024530.db2.gz LVQLEIVXYJSTRT-UHFFFAOYSA-N -1 3 368.422 2.629 20 30 FFEDHM N#Cc1cc(Cl)ccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826383808 608052574 /nfs/dbraw/zinc/05/25/74/608052574.db2.gz RCQCYRIGTYNUBL-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM N#Cc1cc(Cl)ccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826383808 608052575 /nfs/dbraw/zinc/05/25/75/608052575.db2.gz RCQCYRIGTYNUBL-KRWDZBQOSA-N -1 3 366.812 2.970 20 30 FFEDHM COc1ccc(C#N)cc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826186690 608152291 /nfs/dbraw/zinc/15/22/91/608152291.db2.gz HCIXLQXOKKVDNR-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM COc1ccc(C#N)cc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826186690 608152293 /nfs/dbraw/zinc/15/22/93/608152293.db2.gz HCIXLQXOKKVDNR-UHFFFAOYSA-N -1 3 357.377 2.659 20 30 FFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825793343 608178745 /nfs/dbraw/zinc/17/87/45/608178745.db2.gz RAMXHINKGJLABN-UHFFFAOYSA-N -1 3 372.392 2.669 20 30 FFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825793343 608178747 /nfs/dbraw/zinc/17/87/47/608178747.db2.gz RAMXHINKGJLABN-UHFFFAOYSA-N -1 3 372.392 2.669 20 30 FFEDHM COc1cc(C#N)ccc1COc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000826176944 608324469 /nfs/dbraw/zinc/32/44/69/608324469.db2.gz KYIYIJOFLAKUFW-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM COc1cc(C#N)ccc1COc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000826176944 608324471 /nfs/dbraw/zinc/32/44/71/608324471.db2.gz KYIYIJOFLAKUFW-UHFFFAOYSA-N -1 3 371.784 2.988 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823844637 608355768 /nfs/dbraw/zinc/35/57/68/608355768.db2.gz DZVAHFKMGBUTGS-UHFFFAOYSA-N -1 3 351.385 2.650 20 30 FFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000823844637 608355769 /nfs/dbraw/zinc/35/57/69/608355769.db2.gz DZVAHFKMGBUTGS-UHFFFAOYSA-N -1 3 351.385 2.650 20 30 FFEDHM N#Cc1cc2c(nc1N1CC=C(c3ccc(-c4nnn[n-]4)cc3)CC1)CCC2 ZINC000826384330 608442738 /nfs/dbraw/zinc/44/27/38/608442738.db2.gz QXPFJAZWSBJENM-UHFFFAOYSA-N -1 3 369.432 2.916 20 30 FFEDHM N#Cc1cc2c(nc1N1CC=C(c3ccc(-c4nn[n-]n4)cc3)CC1)CCC2 ZINC000826384330 608442739 /nfs/dbraw/zinc/44/27/39/608442739.db2.gz QXPFJAZWSBJENM-UHFFFAOYSA-N -1 3 369.432 2.916 20 30 FFEDHM N#C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000826380192 608498934 /nfs/dbraw/zinc/49/89/34/608498934.db2.gz QNHWQLMQNYSODQ-CYBMUJFWSA-N -1 3 374.738 2.793 20 30 FFEDHM N#C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000826380192 608498935 /nfs/dbraw/zinc/49/89/35/608498935.db2.gz QNHWQLMQNYSODQ-CYBMUJFWSA-N -1 3 374.738 2.793 20 30 FFEDHM C#CC[C@@H](NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccccc1 ZINC000823838233 608516625 /nfs/dbraw/zinc/51/66/25/608516625.db2.gz MLWGGJJRHJZQSY-QGZVFWFLSA-N -1 3 371.404 2.771 20 30 FFEDHM C#CC[C@@H](NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccccc1 ZINC000823838233 608516627 /nfs/dbraw/zinc/51/66/27/608516627.db2.gz MLWGGJJRHJZQSY-QGZVFWFLSA-N -1 3 371.404 2.771 20 30 FFEDHM COc1cccc2c1OCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826218165 608877526 /nfs/dbraw/zinc/87/75/26/608877526.db2.gz REUWFGZPTBPQNB-YRNVUSSQSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1cccc2c1OCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826218165 608877528 /nfs/dbraw/zinc/87/75/28/608877528.db2.gz REUWFGZPTBPQNB-YRNVUSSQSA-N -1 3 352.325 2.673 20 30 FFEDHM C=CCC[C@@H](C)OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823893896 609152379 /nfs/dbraw/zinc/15/23/79/609152379.db2.gz ARCHNMIRQRKMKR-CYBMUJFWSA-N -1 3 352.398 2.872 20 30 FFEDHM C=CCC[C@@H](C)OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823893896 609152382 /nfs/dbraw/zinc/15/23/82/609152382.db2.gz ARCHNMIRQRKMKR-CYBMUJFWSA-N -1 3 352.398 2.872 20 30 FFEDHM N#Cc1cc(F)ccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826384024 609167043 /nfs/dbraw/zinc/16/70/43/609167043.db2.gz CRMYXMFDHFSDDP-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM N#Cc1cc(F)ccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826384024 609167045 /nfs/dbraw/zinc/16/70/45/609167045.db2.gz CRMYXMFDHFSDDP-UHFFFAOYSA-N -1 3 360.356 2.880 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826186145 609180785 /nfs/dbraw/zinc/18/07/85/609180785.db2.gz HGKFPNNRIFFTLG-UHFFFAOYSA-N -1 3 360.377 2.683 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826186145 609180787 /nfs/dbraw/zinc/18/07/87/609180787.db2.gz HGKFPNNRIFFTLG-UHFFFAOYSA-N -1 3 360.377 2.683 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000823999439 609367376 /nfs/dbraw/zinc/36/73/76/609367376.db2.gz AGDQAWSUIKCZBA-OQFOIZHKSA-N -1 3 351.341 2.860 20 30 FFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000823999439 609367378 /nfs/dbraw/zinc/36/73/78/609367378.db2.gz AGDQAWSUIKCZBA-OQFOIZHKSA-N -1 3 351.341 2.860 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC000823909753 609377655 /nfs/dbraw/zinc/37/76/55/609377655.db2.gz PLRZRTCCQIBJMG-CRAIPNDOSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC000823909753 609377656 /nfs/dbraw/zinc/37/76/56/609377656.db2.gz PLRZRTCCQIBJMG-CRAIPNDOSA-N -1 3 369.469 2.977 20 30 FFEDHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCO1 ZINC000824216184 609386468 /nfs/dbraw/zinc/38/64/68/609386468.db2.gz OUCYCIOYEBXOTF-BLLLJJGKSA-N -1 3 354.414 2.518 20 30 FFEDHM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCO1 ZINC000824216184 609386470 /nfs/dbraw/zinc/38/64/70/609386470.db2.gz OUCYCIOYEBXOTF-BLLLJJGKSA-N -1 3 354.414 2.518 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccnc1C1CC1 ZINC000823915134 609498460 /nfs/dbraw/zinc/49/84/60/609498460.db2.gz SJUDHXCOAGIMSN-UHFFFAOYSA-N -1 3 360.421 2.968 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccnc1C1CC1 ZINC000823915134 609498463 /nfs/dbraw/zinc/49/84/63/609498463.db2.gz SJUDHXCOAGIMSN-UHFFFAOYSA-N -1 3 360.421 2.968 20 30 FFEDHM CC1(C#N)CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824778492 609507690 /nfs/dbraw/zinc/50/76/90/609507690.db2.gz QBZMWRSANLJCTI-UHFFFAOYSA-N -1 3 361.862 2.843 20 30 FFEDHM CC1(C#N)CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824778492 609507691 /nfs/dbraw/zinc/50/76/91/609507691.db2.gz QBZMWRSANLJCTI-UHFFFAOYSA-N -1 3 361.862 2.843 20 30 FFEDHM C=CCOCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823926075 609607576 /nfs/dbraw/zinc/60/75/76/609607576.db2.gz YKCOVQFOWIFPPQ-UHFFFAOYSA-N -1 3 365.393 2.591 20 30 FFEDHM C=CCOCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823926075 609607579 /nfs/dbraw/zinc/60/75/79/609607579.db2.gz YKCOVQFOWIFPPQ-UHFFFAOYSA-N -1 3 365.393 2.591 20 30 FFEDHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c1 ZINC000743344056 735290690 /nfs/dbraw/zinc/29/06/90/735290690.db2.gz MZPYRHADGAYJPR-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM CC(C)c1nn(C)c(Cl)c1C=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449262 735298507 /nfs/dbraw/zinc/29/85/07/735298507.db2.gz TZBNRSJMNDIAMB-UHFFFAOYSA-N -1 3 368.890 2.693 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)ccc1F ZINC000075290139 728245548 /nfs/dbraw/zinc/24/55/48/728245548.db2.gz JUSMWFUAQKUQBK-OLZOCXBDSA-N -1 3 354.447 2.551 20 30 FFEDHM N#Cc1cccnc1N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000122899858 728652868 /nfs/dbraw/zinc/65/28/68/728652868.db2.gz KPQDKSBZICMXPT-UHFFFAOYSA-N -1 3 373.254 2.744 20 30 FFEDHM C#CC[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccn1 ZINC000123492198 728659020 /nfs/dbraw/zinc/65/90/20/728659020.db2.gz AODLAJXEADNFQY-MRXNPFEDSA-N -1 3 362.382 2.514 20 30 FFEDHM O=C(c1ccc([O-])cc1)N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000135171787 728736223 /nfs/dbraw/zinc/73/62/23/728736223.db2.gz NGSGXSMHXFVVJM-UHFFFAOYSA-N -1 3 354.837 2.855 20 30 FFEDHM C=CCCC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC000179797048 729194937 /nfs/dbraw/zinc/19/49/37/729194937.db2.gz RREHGIBCQJNUTH-ZDUSSCGKSA-N -1 3 354.447 2.765 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CC1(Cl)Cl ZINC000857373813 730394147 /nfs/dbraw/zinc/39/41/47/730394147.db2.gz FVKUPQIVTSZMFL-NSHDSACASA-N -1 3 356.253 2.908 20 30 FFEDHM COCCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000860470957 730515436 /nfs/dbraw/zinc/51/54/36/730515436.db2.gz XNNBXRSDMSWZNI-ZDUSSCGKSA-N -1 3 360.801 2.534 20 30 FFEDHM N#Cc1ccc(C2([N-]C(=O)C(F)(F)c3nccs3)CCOCC2)cc1 ZINC000863053601 730747286 /nfs/dbraw/zinc/74/72/86/730747286.db2.gz IQRLSWCMGAUVHE-UHFFFAOYSA-N -1 3 363.389 2.929 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C1CCOCC1 ZINC000867529742 731196371 /nfs/dbraw/zinc/19/63/71/731196371.db2.gz NLVIDFSDTXXYMH-OAHLLOKOSA-N -1 3 362.476 2.517 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CCF)CC2)ccc1F ZINC000870274444 731490015 /nfs/dbraw/zinc/49/00/15/731490015.db2.gz JCNLCQRSMCGFED-UHFFFAOYSA-N -1 3 372.437 2.502 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1OC ZINC000780306467 738532135 /nfs/dbraw/zinc/53/21/35/738532135.db2.gz WIXBIXRMCHJQTJ-LLVKDONJSA-N -1 3 359.769 2.713 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000657147973 731738867 /nfs/dbraw/zinc/73/88/67/731738867.db2.gz MSBOZGXSODKUPU-UHFFFAOYSA-N -1 3 368.680 2.974 20 30 FFEDHM CCOc1c(Cl)cc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1Cl ZINC000879224861 732668049 /nfs/dbraw/zinc/66/80/49/732668049.db2.gz UAASVVDTQSHHLT-NSHDSACASA-N -1 3 362.213 2.894 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2nccs2)C1 ZINC000881695280 733088813 /nfs/dbraw/zinc/08/88/13/733088813.db2.gz GEEAEADBHGGCGG-ZDUSSCGKSA-N -1 3 356.451 2.681 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCOCC1 ZINC000885838899 733716610 /nfs/dbraw/zinc/71/66/10/733716610.db2.gz WQYXLFRRLFCOLD-UHFFFAOYSA-N -1 3 362.476 2.661 20 30 FFEDHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(CCC#N)cc2)C1 ZINC000886399272 733782753 /nfs/dbraw/zinc/78/27/53/733782753.db2.gz OQNPDCULQLDZHE-UHFFFAOYSA-N -1 3 355.463 2.931 20 30 FFEDHM O=[N+]([O-])c1ccc(C=N[N-]S(=O)(=O)Cc2ccccc2)c(Cl)c1 ZINC000783831963 738840484 /nfs/dbraw/zinc/84/04/84/738840484.db2.gz DKQITHFKJAFJNW-UHFFFAOYSA-N -1 3 353.787 2.702 20 30 FFEDHM Cc1ncc(CO)c(/C=N\Cc2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000734303186 734888424 /nfs/dbraw/zinc/88/84/24/734888424.db2.gz GPRJTQJAZPSHLI-GXHLCREISA-N -1 3 358.785 2.910 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)ccc1F ZINC000784064192 738859253 /nfs/dbraw/zinc/85/92/53/738859253.db2.gz JWBMMPHNBMLKJZ-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NO)c(Cl)cc1Cl ZINC000742824101 735257633 /nfs/dbraw/zinc/25/76/33/735257633.db2.gz OIQPRYBHHZUQKP-ZETCQYMHSA-N -1 3 355.243 2.579 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cn2ccsc2n1 ZINC000749188292 735702978 /nfs/dbraw/zinc/70/29/78/735702978.db2.gz JVOMJWXJDUVEPA-UHFFFAOYSA-N -1 3 356.407 2.661 20 30 FFEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000901374443 735772083 /nfs/dbraw/zinc/77/20/83/735772083.db2.gz IPDZQLWRJMAYLN-LLVKDONJSA-N -1 3 355.362 2.545 20 30 FFEDHM C=C(C)C[C@H](NCc1cn(-c2ccccc2Br)nn1)C(=O)[O-] ZINC000901681272 735818555 /nfs/dbraw/zinc/81/85/55/735818555.db2.gz GZFVWTHSEFUDDI-ZDUSSCGKSA-N -1 3 365.231 2.539 20 30 FFEDHM C=CCCS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751292111 735862165 /nfs/dbraw/zinc/86/21/65/735862165.db2.gz MGOVSBRIXVDIAQ-LBPRGKRZSA-N -1 3 357.781 2.585 20 30 FFEDHM O=c1nc(C=N[O-])ccn1CCCCOc1ccc(Br)cc1 ZINC000902712510 735984994 /nfs/dbraw/zinc/98/49/94/735984994.db2.gz BLMOVTCDMMYBIF-UHFFFAOYSA-N -1 3 366.215 2.673 20 30 FFEDHM O=C(c1cn(C[C@H]2CCOC2)nn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178596 736230685 /nfs/dbraw/zinc/23/06/85/736230685.db2.gz PASJMLSNHDVFSF-SNVBAGLBSA-N -1 3 371.224 2.653 20 30 FFEDHM CC[C@@H](CC(F)F)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904185716 736231540 /nfs/dbraw/zinc/23/15/40/736231540.db2.gz HEFAQODNRONBQY-NSHDSACASA-N -1 3 354.353 2.572 20 30 FFEDHM COc1ccc(C=NNC(=S)N[C@H](C)C2CC2)c(Br)c1[O-] ZINC000761011970 736687781 /nfs/dbraw/zinc/68/77/81/736687781.db2.gz LGJVFUXJNSGUHM-MRVPVSSYSA-N -1 3 372.288 2.760 20 30 FFEDHM COc1ccc(C=NNc2cn[nH]c(=O)c2Cl)c(Br)c1[O-] ZINC000761014377 736688190 /nfs/dbraw/zinc/68/81/90/736688190.db2.gz FCZBJWVOLMDHAX-UHFFFAOYSA-N -1 3 373.594 2.758 20 30 FFEDHM C=C(C)C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908751775 736826167 /nfs/dbraw/zinc/82/61/67/736826167.db2.gz NRRSJIVCSVGNJU-KGLIPLIRSA-N -1 3 351.472 2.604 20 30 FFEDHM COc1cc(C(=O)/C=C\c2ccc(S(C)(=O)=O)cc2)c(OC)cc1[O-] ZINC000763105067 736902766 /nfs/dbraw/zinc/90/27/66/736902766.db2.gz NBVGFWRMOILCRR-TWGQIWQCSA-N -1 3 362.403 2.709 20 30 FFEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)cn1 ZINC000764897054 737061010 /nfs/dbraw/zinc/06/10/10/737061010.db2.gz UFYCQOCOOMAFTH-HNNXBMFYSA-N -1 3 353.407 2.665 20 30 FFEDHM Cc1ccc(S(=O)(=O)NN=Cc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000916263393 737690818 /nfs/dbraw/zinc/69/08/18/737690818.db2.gz ZPRRSSTXGSRHOS-UHFFFAOYSA-N -1 3 369.786 2.575 20 30 FFEDHM Cc1ncc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)s1 ZINC000917538604 737763036 /nfs/dbraw/zinc/76/30/36/737763036.db2.gz UEJROBNYEUBIPQ-CYBMUJFWSA-N -1 3 359.436 2.726 20 30 FFEDHM C=CCCC[C@@H](C)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776014151 738152100 /nfs/dbraw/zinc/15/21/00/738152100.db2.gz HNUWXQHCSBQIRI-CHWSQXEVSA-N -1 3 373.906 2.653 20 30 FFEDHM COc1cc(C=NNc2cccc(S(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000776261257 738175440 /nfs/dbraw/zinc/17/54/40/738175440.db2.gz IYPHVLLGCJRSFL-UHFFFAOYSA-N -1 3 354.815 2.904 20 30 FFEDHM C=C[C@](C)(CCOC)COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000784614871 738908372 /nfs/dbraw/zinc/90/83/72/738908372.db2.gz QXJNAIWKLQVGLP-MRXNPFEDSA-N -1 3 359.419 2.583 20 30 FFEDHM CN1CCC(C#N)([N-]C(=O)C(F)(F)c2cccc(Br)c2)CC1 ZINC000932179139 739399411 /nfs/dbraw/zinc/39/94/11/739399411.db2.gz ZFGMLULWSPRKPE-UHFFFAOYSA-N -1 3 372.213 2.645 20 30 FFEDHM C#CCSCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790217622 739426685 /nfs/dbraw/zinc/42/66/85/739426685.db2.gz PFCDDOQLUWMYIL-UHFFFAOYSA-N -1 3 368.705 2.747 20 30 FFEDHM C[C@@]1(C#N)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000933600497 739660931 /nfs/dbraw/zinc/66/09/31/739660931.db2.gz QCWKWEQKUGCQJB-QGZVFWFLSA-N -1 3 356.407 2.771 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1COCc2cccc(Cl)c21 ZINC000794495485 739898275 /nfs/dbraw/zinc/89/82/75/739898275.db2.gz BASMIPXONWPPAS-UHFFFAOYSA-N -1 3 350.827 2.694 20 30 FFEDHM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H](C#N)C2CC2)cc(C(F)(F)F)c1 ZINC000796747553 740179390 /nfs/dbraw/zinc/17/93/90/740179390.db2.gz YLKZWKQETMVXHJ-LBPRGKRZSA-N -1 3 362.329 2.536 20 30 FFEDHM C#C[C@H](OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000796792396 740184007 /nfs/dbraw/zinc/18/40/07/740184007.db2.gz WHSRHAJVQWJDHH-ZDUSSCGKSA-N -1 3 361.341 2.646 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCc2c([O-])cccc2Cl)C1 ZINC000798274343 740318847 /nfs/dbraw/zinc/31/88/47/740318847.db2.gz CPTXVUAGTNNVOR-BXUZGUMPSA-N -1 3 351.834 2.894 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cn2cc(Cl)cc(Cl)c2n1 ZINC000799603526 740432353 /nfs/dbraw/zinc/43/23/53/740432353.db2.gz SJPHQZJHCBMHKI-SNVBAGLBSA-N -1 3 374.187 2.997 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]C(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000804781763 740904277 /nfs/dbraw/zinc/90/42/77/740904277.db2.gz JXPXZIBKFZMHLA-CYBMUJFWSA-N -1 3 359.417 2.933 20 30 FFEDHM C#CCC1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000812275136 741602462 /nfs/dbraw/zinc/60/24/62/741602462.db2.gz OPLLYXPBKVZMJZ-AWEZNQCLSA-N -1 3 358.404 2.877 20 30 FFEDHM Cc1nc(C)c(CC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c(=O)[n-]1 ZINC000813210933 741692916 /nfs/dbraw/zinc/69/29/16/741692916.db2.gz BOQFQQOFIQYLGQ-LBPRGKRZSA-N -1 3 350.300 2.632 20 30 FFEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=C1CCn2cccc21 ZINC000818234170 742252516 /nfs/dbraw/zinc/25/25/16/742252516.db2.gz FUJPMVMJRUFGLS-HNNXBMFYSA-N -1 3 353.407 2.537 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC2(C)C)ccc1F ZINC000819174941 742348002 /nfs/dbraw/zinc/34/80/02/742348002.db2.gz OJHUKEIVMBDHKQ-AWEZNQCLSA-N -1 3 368.474 2.846 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000820143469 742467793 /nfs/dbraw/zinc/46/77/93/742467793.db2.gz JMSFIMWXDKVBPA-NSHDSACASA-N -1 3 354.284 2.685 20 30 FFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000820476062 742509814 /nfs/dbraw/zinc/50/98/14/742509814.db2.gz GVVOYAZUBBLGAP-MRXNPFEDSA-N -1 3 361.829 2.858 20 30 FFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC=C(C)C ZINC000839223880 746802816 /nfs/dbraw/zinc/80/28/16/746802816.db2.gz OOFZNKOQHYPJIJ-HNNXBMFYSA-N -1 3 364.467 2.793 20 30 FFEDHM C[C@H](C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)N(C)CC(F)(F)F ZINC000845845924 748336414 /nfs/dbraw/zinc/33/64/14/748336414.db2.gz QMROZIIPPLWMMI-OCCSQVGLSA-N -1 3 352.356 2.879 20 30 FFEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)N(C)CC(F)(F)F ZINC000845845924 748336423 /nfs/dbraw/zinc/33/64/23/748336423.db2.gz QMROZIIPPLWMMI-OCCSQVGLSA-N -1 3 352.356 2.879 20 30 FFEDHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848134625 748851238 /nfs/dbraw/zinc/85/12/38/748851238.db2.gz XDHZUHBYHHVDJY-ZDUSSCGKSA-N -1 3 358.360 2.771 20 30 FFEDHM C=CCCCCCNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000848293241 748894855 /nfs/dbraw/zinc/89/48/55/748894855.db2.gz CSQLXHBQGWMOEG-ZDUSSCGKSA-N -1 3 373.906 2.655 20 30 FFEDHM C#C[C@@](C)(CC)N[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000852100193 749773764 /nfs/dbraw/zinc/77/37/64/749773764.db2.gz FXXFFBRIBOMNEG-ZMZPIMSZSA-N -1 3 361.467 2.922 20 30 FFEDHM N#CCC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000487404563 845916823 /nfs/dbraw/zinc/91/68/23/845916823.db2.gz UMSCWWZQDQSQQT-UHFFFAOYSA-N -1 3 372.269 2.765 20 30 FFEDHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736772230 944889171 /nfs/dbraw/zinc/88/91/71/944889171.db2.gz CMMXSKPRBHXAIS-ROUUACIJSA-N -1 3 373.420 2.547 20 30 FFEDHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736772230 944889184 /nfs/dbraw/zinc/88/91/84/944889184.db2.gz CMMXSKPRBHXAIS-ROUUACIJSA-N -1 3 373.420 2.547 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001573279608 946645253 /nfs/dbraw/zinc/64/52/53/946645253.db2.gz JSWDCXNEBBSDOV-AWEZNQCLSA-N -1 3 367.800 2.720 20 30 FFEDHM C#C[C@H](NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001573279608 946645255 /nfs/dbraw/zinc/64/52/55/946645255.db2.gz JSWDCXNEBBSDOV-AWEZNQCLSA-N -1 3 367.800 2.720 20 30 FFEDHM C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCC(C)C ZINC001573281423 946677328 /nfs/dbraw/zinc/67/73/28/946677328.db2.gz YQAROJNHRXYMNW-CQSZACIVSA-N -1 3 364.457 2.629 20 30 FFEDHM C#C[C@@H](C)N(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCC(C)C ZINC001573281423 946677335 /nfs/dbraw/zinc/67/73/35/946677335.db2.gz YQAROJNHRXYMNW-CQSZACIVSA-N -1 3 364.457 2.629 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573300422 947111158 /nfs/dbraw/zinc/11/11/58/947111158.db2.gz JTLCRYXYHCWVCJ-ZIAGYGMSSA-N -1 3 369.473 2.513 20 30 FFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573300422 947111166 /nfs/dbraw/zinc/11/11/66/947111166.db2.gz JTLCRYXYHCWVCJ-ZIAGYGMSSA-N -1 3 369.473 2.513 20 30 FFEDHM CCN(C(=O)Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376462 947168519 /nfs/dbraw/zinc/16/85/19/947168519.db2.gz HIQNNORGHYHOCF-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM CCN(C(=O)Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376462 947168525 /nfs/dbraw/zinc/16/85/25/947168525.db2.gz HIQNNORGHYHOCF-UHFFFAOYSA-N -1 3 366.812 2.987 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCCN(CC)c1cccc(F)c1-c1nnn[n-]1 ZINC001573314296 947230339 /nfs/dbraw/zinc/23/03/39/947230339.db2.gz ACLSHMXXBPPBED-ZDUSSCGKSA-N -1 3 360.437 2.551 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NCCN(CC)c1cccc(F)c1-c1nn[n-]n1 ZINC001573314296 947230350 /nfs/dbraw/zinc/23/03/50/947230350.db2.gz ACLSHMXXBPPBED-ZDUSSCGKSA-N -1 3 360.437 2.551 20 30 FFEDHM C=CCC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)CCCC1 ZINC001573329671 947422943 /nfs/dbraw/zinc/42/29/43/947422943.db2.gz NDHLSIBGMLAXFT-UHFFFAOYSA-N -1 3 361.471 2.590 20 30 FFEDHM C=CCC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)CCCC1 ZINC001573329671 947422948 /nfs/dbraw/zinc/42/29/48/947422948.db2.gz NDHLSIBGMLAXFT-UHFFFAOYSA-N -1 3 361.471 2.590 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573334339 947453527 /nfs/dbraw/zinc/45/35/27/947453527.db2.gz MHVKGIKPRCQZSU-INIZCTEOSA-N -1 3 369.473 2.801 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573334339 947453532 /nfs/dbraw/zinc/45/35/32/947453532.db2.gz MHVKGIKPRCQZSU-INIZCTEOSA-N -1 3 369.473 2.801 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000120471089 959604918 /nfs/dbraw/zinc/60/49/18/959604918.db2.gz DYHXKAHQWYBBGX-CYBMUJFWSA-N -1 3 365.780 2.882 20 30 FFEDHM C=CCOc1ccc(CC(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001176858543 1013796756 /nfs/dbraw/zinc/79/67/56/1013796756.db2.gz BZWWUEUBJXECGW-UHFFFAOYSA-N -1 3 351.406 2.709 20 30 FFEDHM C=C1CC(C)(C(=O)N2CC[C@H]3CCN(C(=O)c4ccccc4[O-])[C@H]3C2)C1 ZINC000975993593 973679244 /nfs/dbraw/zinc/67/92/44/973679244.db2.gz IFWSMTOPFZUCHE-RDJZCZTQSA-N -1 3 354.450 2.812 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000976294482 974036089 /nfs/dbraw/zinc/03/60/89/974036089.db2.gz NMCNEFSOZHUMMP-FAJBIJEISA-N -1 3 372.465 2.531 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000661413529 974253152 /nfs/dbraw/zinc/25/31/52/974253152.db2.gz DVEKISALVZXEAW-AEFFLSMTSA-N -1 3 371.481 2.995 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000661413532 974253254 /nfs/dbraw/zinc/25/32/54/974253254.db2.gz DVEKISALVZXEAW-WMZOPIPTSA-N -1 3 371.481 2.995 20 30 FFEDHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000899273241 977061036 /nfs/dbraw/zinc/06/10/36/977061036.db2.gz NEIBIPQKALRDCI-UHFFFAOYSA-N -1 3 358.438 2.867 20 30 FFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1Cc1cc(C#N)ccc1F ZINC001088471613 979756006 /nfs/dbraw/zinc/75/60/06/979756006.db2.gz VVSHTMJEGIMGRS-ACJLOTCBSA-N -1 3 353.397 2.796 20 30 FFEDHM O=C(c1ccccc1O)N1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175517 980206769 /nfs/dbraw/zinc/20/67/69/980206769.db2.gz UNRZTBTVIDIOSF-INIZCTEOSA-N -1 3 358.369 2.554 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000905002104 980365607 /nfs/dbraw/zinc/36/56/07/980365607.db2.gz LNQLSXAQEJQGFV-QVXXQQBRSA-N -1 3 363.458 2.510 20 30 FFEDHM N#Cc1cc2ccccc2nc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000760230675 980456190 /nfs/dbraw/zinc/45/61/90/980456190.db2.gz VOXGWPJYESTXQG-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM C=CCC[C@@H](NC(=O)NC[C@@H](CC)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908810249 981542648 /nfs/dbraw/zinc/54/26/48/981542648.db2.gz URSGABYPKLPIRK-QZTJIDSGSA-N -1 3 359.470 2.542 20 30 FFEDHM C=CCCC[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000908847901 981553701 /nfs/dbraw/zinc/55/37/01/981553701.db2.gz VTGLYOYYGYVUKM-QZTJIDSGSA-N -1 3 359.470 2.760 20 30 FFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc2n(n1)CCCO2 ZINC000763930878 983948479 /nfs/dbraw/zinc/94/84/79/983948479.db2.gz OLYMQQBYGLNUGK-OAHLLOKOSA-N -1 3 366.421 2.752 20 30 FFEDHM COc1cc(C=NNCc2cnc3ccccc3c2)c([N+](=O)[O-])cc1[O-] ZINC000764779150 984716440 /nfs/dbraw/zinc/71/64/40/984716440.db2.gz OMBDYIVHORNYQN-UHFFFAOYSA-N -1 3 352.350 2.981 20 30 FFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000129851965 984787139 /nfs/dbraw/zinc/78/71/39/984787139.db2.gz QPMYLPYBKNRIKK-UHFFFAOYSA-N -1 3 350.313 2.685 20 30 FFEDHM C#CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCc2ccccc21 ZINC000170706473 985115913 /nfs/dbraw/zinc/11/59/13/985115913.db2.gz UDKPVZKXDXENGZ-SFHVURJKSA-N -1 3 359.385 2.725 20 30 FFEDHM Cc1cccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1[O-] ZINC000174583517 986251723 /nfs/dbraw/zinc/25/17/23/986251723.db2.gz HLBFHPJJPOIJHK-UHFFFAOYSA-N -1 3 351.406 2.786 20 30 FFEDHM N#Cc1cccc([C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C(F)(F)F)c1 ZINC000913782609 986910562 /nfs/dbraw/zinc/91/05/62/986910562.db2.gz YSVKHZXKHSFPEO-CYBMUJFWSA-N -1 3 362.311 2.965 20 30 FFEDHM CCc1ccccc1-c1noc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000761561557 987310012 /nfs/dbraw/zinc/31/00/12/987310012.db2.gz BOMIMYBRFFQFHN-UHFFFAOYSA-N -1 3 368.418 2.538 20 30 FFEDHM C=CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OC ZINC000917509628 990234771 /nfs/dbraw/zinc/23/47/71/990234771.db2.gz XNVYRWUFVMDXAO-CQSZACIVSA-N -1 3 351.362 2.616 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n[n-]2)o1 ZINC000919324821 990613628 /nfs/dbraw/zinc/61/36/28/990613628.db2.gz IPSBQUCPWUOJRY-KPZWWZAWSA-N -1 3 358.398 2.578 20 30 FFEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[n-]n2)o1 ZINC000919324821 990613631 /nfs/dbraw/zinc/61/36/31/990613631.db2.gz IPSBQUCPWUOJRY-KPZWWZAWSA-N -1 3 358.398 2.578 20 30 FFEDHM C=CCCn1cc(C(=O)[N-]c2nnc(-c3ccc(OC)cc3)s2)nn1 ZINC001127673139 991962496 /nfs/dbraw/zinc/96/24/96/991962496.db2.gz MMIUAMHVWWFYJB-UHFFFAOYSA-N -1 3 356.411 2.634 20 30 FFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(N2CCNC2=O)cc1 ZINC001593194574 994138156 /nfs/dbraw/zinc/13/81/56/994138156.db2.gz JLOXLMSWFQJQEJ-FZKQIMNGSA-N -1 3 364.405 2.564 20 30 FFEDHM CCN(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811183919 995050538 /nfs/dbraw/zinc/05/05/38/995050538.db2.gz AXEKGXFQNIIURZ-CQSZACIVSA-N -1 3 352.390 2.858 20 30 FFEDHM COc1cc(-c2noc(COC(=O)c3cc([O-])cc(C#N)c3)n2)ccc1C ZINC000811187505 995053123 /nfs/dbraw/zinc/05/31/23/995053123.db2.gz ICIFSXLSRAETRL-UHFFFAOYSA-N -1 3 365.345 2.988 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000811187744 995053337 /nfs/dbraw/zinc/05/33/37/995053337.db2.gz WREXOQLDCKZBPR-OLZOCXBDSA-N -1 3 350.374 2.787 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000811187207 995053858 /nfs/dbraw/zinc/05/38/58/995053858.db2.gz MMRZAYYRDBPFOP-PXRHCINRSA-N -1 3 368.433 2.894 20 30 FFEDHM COc1ccc([C@H](NCc2ccc(O[C@H](C)C#N)cc2)C(=O)[O-])cc1O ZINC001599532550 997682497 /nfs/dbraw/zinc/68/24/97/997682497.db2.gz RIXCRXCYCKOCTJ-XIKOKIGWSA-N -1 3 356.378 2.607 20 30 FFEDHM N#Cc1c2c(sc1NC(=O)COC(=O)c1cncc([O-])c1)CCCCC2 ZINC000731915418 998336930 /nfs/dbraw/zinc/33/69/30/998336930.db2.gz WGRJBYLRZLKGIT-UHFFFAOYSA-N -1 3 371.418 2.785 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000845846173 998666479 /nfs/dbraw/zinc/66/64/79/998666479.db2.gz RQYBPCWWHYFRPO-HIFRSBDPSA-N -1 3 364.367 2.880 20 30 FFEDHM C=CCN1C(=O)CC[C@]12CCCN(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC001144625428 998681745 /nfs/dbraw/zinc/68/17/45/998681745.db2.gz FMGUWQSIAXOBPT-FQEVSTJZSA-N -1 3 360.429 2.634 20 30 FFEDHM CC#CC(=O)N1CCC2(C[C@@H]2C(=O)Nc2nc3c(cccc3[O-])s2)CC1 ZINC001273361785 999631729 /nfs/dbraw/zinc/63/17/29/999631729.db2.gz QPAVSKJLAHXZHR-GFCCVEGCSA-N -1 3 369.446 2.592 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(N3CCCCC3)n2)c1 ZINC000740528941 999675312 /nfs/dbraw/zinc/67/53/12/999675312.db2.gz CVARFWIVUHHUPQ-INIZCTEOSA-N -1 3 363.421 2.737 20 30 FFEDHM Cc1cccc(-c2nn(Cc3ccccc3)cc2C=NN2CC(=O)[N-]C2=O)c1 ZINC000744810428 999874643 /nfs/dbraw/zinc/87/46/43/999874643.db2.gz PAWRCOPKYQBYJM-UHFFFAOYSA-N -1 3 373.416 2.793 20 30 FFEDHM C#Cc1cccc(N(C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1 ZINC000103031279 1000010310 /nfs/dbraw/zinc/01/03/10/1000010310.db2.gz MOPAWUBONVJOEU-UHFFFAOYSA-N -1 3 374.437 2.770 20 30 FFEDHM N#Cc1cc2ccccc2nc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000786765918 1001624086 /nfs/dbraw/zinc/62/40/86/1001624086.db2.gz NSJBHFPJLILWIH-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM CCOC(=O)c1csc(-c2ccc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)cc2)n1 ZINC001171365485 1001766302 /nfs/dbraw/zinc/76/63/02/1001766302.db2.gz YTMMRSOUDPSGJW-HZMBPMFUSA-N -1 3 361.423 2.635 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1conc1C(F)(F)F ZINC000788159301 1001767322 /nfs/dbraw/zinc/76/73/22/1001767322.db2.gz FHSCGABJXHOEIW-UHFFFAOYSA-N -1 3 369.299 2.959 20 30 FFEDHM C[C@H](C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1)c1ccc(C#N)cc1 ZINC001182788162 1002056009 /nfs/dbraw/zinc/05/60/09/1002056009.db2.gz QHCLCAQIFWVZRI-ZDUSSCGKSA-N -1 3 359.389 2.844 20 30 FFEDHM N#C[C@H](CC(=O)NCCCc1c[n-][nH]c1=O)c1c(Cl)cccc1Cl ZINC001183120407 1002155404 /nfs/dbraw/zinc/15/54/04/1002155404.db2.gz IAXOYDWIXLRXEM-QWRGUYRKSA-N -1 3 367.236 2.619 20 30 FFEDHM N#Cc1cc([N-]C(=O)c2cnc(OCC3CC3)cn2)c(Cl)c([N+](=O)[O-])c1 ZINC000790867554 1002504944 /nfs/dbraw/zinc/50/49/44/1002504944.db2.gz UURPNCMEEKGTMQ-UHFFFAOYSA-N -1 3 373.756 2.951 20 30 FFEDHM O=C(CN1C(=O)c2ccccc2C1=O)N([O-])CCCCc1ccccc1 ZINC001184293319 1002564147 /nfs/dbraw/zinc/56/41/47/1002564147.db2.gz NZEPVCPJPVUFPQ-UHFFFAOYSA-N -1 3 352.390 2.523 20 30 FFEDHM C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001186853445 1003441559 /nfs/dbraw/zinc/44/15/59/1003441559.db2.gz CSXPCYVYJRPASR-JGVFFNPUSA-N -1 3 351.819 2.844 20 30 FFEDHM C=C(Cl)CN1C[C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](C)C1 ZINC001092797924 1003543096 /nfs/dbraw/zinc/54/30/96/1003543096.db2.gz NVHYGZQDGVZQFA-TZMCWYRMSA-N -1 3 359.857 2.578 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccccc1OCC1CCOCC1 ZINC001196557911 1003841727 /nfs/dbraw/zinc/84/17/27/1003841727.db2.gz JYRHAZALWTYZNY-UHFFFAOYSA-N -1 3 369.421 2.931 20 30 FFEDHM N#Cc1cccc([C@@H](O)CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC001197078092 1004074489 /nfs/dbraw/zinc/07/44/89/1004074489.db2.gz RFIIZGCZZJBADC-FQEVSTJZSA-N -1 3 371.868 2.768 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C1CCOCC1 ZINC001192789772 1004261205 /nfs/dbraw/zinc/26/12/05/1004261205.db2.gz WWYDPTLEYNJBDC-LBPRGKRZSA-N -1 3 370.883 2.656 20 30 FFEDHM COc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1OC1CCCC1 ZINC001197738598 1004344918 /nfs/dbraw/zinc/34/49/18/1004344918.db2.gz OOAUKFMPTMVMIF-CQSZACIVSA-N -1 3 363.414 2.518 20 30 FFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001193150453 1004390915 /nfs/dbraw/zinc/39/09/15/1004390915.db2.gz YAEIFPBYYUCPMN-RHSMWYFYSA-N -1 3 355.463 2.918 20 30 FFEDHM C[C@@H]1CCc2c(C(=O)NC(=N[O-])c3ccc(OC(F)(F)F)cc3)n[nH]c21 ZINC001198450785 1004621108 /nfs/dbraw/zinc/62/11/08/1004621108.db2.gz PEZRMZULZGBZBR-MRVPVSSYSA-N -1 3 368.315 2.924 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(F)cc(C(=O)OC)c1 ZINC001194114120 1004651318 /nfs/dbraw/zinc/65/13/18/1004651318.db2.gz UZKCQYNFANGTRS-UHFFFAOYSA-N -1 3 362.338 2.584 20 30 FFEDHM N#Cc1cc(NC(=O)c2cnccc2OCC2CCOCC2)ccc1[O-] ZINC001198855803 1004754530 /nfs/dbraw/zinc/75/45/30/1004754530.db2.gz LDBUUXSYDOKXEV-UHFFFAOYSA-N -1 3 353.378 2.717 20 30 FFEDHM COC(=O)c1cc(-c2ccc(C(=O)Nc3ccc([O-])c(C#N)c3)cc2)on1 ZINC001195019067 1004881168 /nfs/dbraw/zinc/88/11/68/1004881168.db2.gz HLWGGKACTBPSGL-UHFFFAOYSA-N -1 3 363.329 2.958 20 30 FFEDHM C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000776274415 1005340337 /nfs/dbraw/zinc/34/03/37/1005340337.db2.gz NJVMPOUGIJKJAR-VXGBXAGGSA-N -1 3 356.353 2.826 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-][C@@H](C(=O)OCC)C1CCOCC1 ZINC001188029593 1006386238 /nfs/dbraw/zinc/38/62/38/1006386238.db2.gz VHINAQWYVRSUID-MRXNPFEDSA-N -1 3 363.520 2.625 20 30 FFEDHM Cc1nc(C)c(CCC(=O)Nc2nc3c(cc2C#N)C[C@@H](C)CC3)c(=O)[n-]1 ZINC001134922926 1006546509 /nfs/dbraw/zinc/54/65/09/1006546509.db2.gz GJFCGOJSFQJAGW-NSHDSACASA-N -1 3 365.437 2.762 20 30 FFEDHM CC(C)c1cccc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000853883391 1006570024 /nfs/dbraw/zinc/57/00/24/1006570024.db2.gz JITRCHPDMRNYJU-UHFFFAOYSA-N -1 3 372.446 2.592 20 30 FFEDHM CC(=O)Cc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000816209776 1006939947 /nfs/dbraw/zinc/93/99/47/1006939947.db2.gz MWHJLFFVEYQTLT-UHFFFAOYSA-N -1 3 352.390 2.945 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C3CC3)nn2C)c(C)c1[O-] ZINC001189413837 1007071437 /nfs/dbraw/zinc/07/14/37/1007071437.db2.gz CKJTWUUZVBUKKK-UHFFFAOYSA-N -1 3 368.393 2.612 20 30 FFEDHM Cn1nc(C2CC2)cc1C(=O)NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001189412185 1007071881 /nfs/dbraw/zinc/07/18/81/1007071881.db2.gz KKKSJQZQPPSASQ-UHFFFAOYSA-N -1 3 368.315 2.762 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc2ccccc2n1Cc1ccccc1F ZINC000816693443 1007168385 /nfs/dbraw/zinc/16/83/85/1007168385.db2.gz KYZCJWUQHLZZIL-MRXNPFEDSA-N -1 3 367.380 2.549 20 30 FFEDHM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000885845039 1007800058 /nfs/dbraw/zinc/80/00/58/1007800058.db2.gz FHVOWYBLXSZCFH-IBGZPJMESA-N -1 3 372.446 2.509 20 30 FFEDHM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1ccccc1CC#N)c1ccccc1 ZINC000885845856 1007800429 /nfs/dbraw/zinc/80/04/29/1007800429.db2.gz UVTDBWMSFPASIG-IBGZPJMESA-N -1 3 372.446 2.509 20 30 FFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000820175265 1008299932 /nfs/dbraw/zinc/29/99/32/1008299932.db2.gz WGDUABJYCLEUPF-INIZCTEOSA-N -1 3 363.373 2.729 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3[nH]cnc3cc2F)cc1 ZINC000821620016 1008480670 /nfs/dbraw/zinc/48/06/70/1008480670.db2.gz VOVZGNFEHRBFEB-ZDUSSCGKSA-N -1 3 352.325 2.672 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1noc(C2CCC2)n1 ZINC000859477589 1008523154 /nfs/dbraw/zinc/52/31/54/1008523154.db2.gz GHLAIRPEWRNZLY-UHFFFAOYSA-N -1 3 356.382 2.602 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C2CCOCC2)C1 ZINC000886142197 1008586410 /nfs/dbraw/zinc/58/64/10/1008586410.db2.gz XCWJJRJRDDXLBN-KRWDZBQOSA-N -1 3 371.481 2.874 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001179485509 1009349188 /nfs/dbraw/zinc/34/91/88/1009349188.db2.gz QBVWQOBORHRKCC-LIRRHRJNSA-N -1 3 357.410 2.849 20 30 FFEDHM N#CCCCC(=O)NC12CC(C(=O)Nc3nc4c(cccc4[O-])s3)(C1)C2 ZINC001274146035 1009452822 /nfs/dbraw/zinc/45/28/22/1009452822.db2.gz GYVLRZFFOUKOMM-UHFFFAOYSA-N -1 3 370.434 2.673 20 30 FFEDHM C[C@H](C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)N1CCCC1 ZINC001180577519 1009732243 /nfs/dbraw/zinc/73/22/43/1009732243.db2.gz VHOQLWMZSRKZKM-ZGXHQARYSA-N -1 3 371.466 2.644 20 30 FFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001181203330 1010014450 /nfs/dbraw/zinc/01/44/50/1010014450.db2.gz IXJSPCGGVPLBBM-UHFFFAOYSA-N -1 3 364.361 2.709 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(=O)[n-]c1Cl ZINC001274737382 1011622639 /nfs/dbraw/zinc/62/26/39/1011622639.db2.gz ORCBXIQUQNCRCM-SFHVURJKSA-N -1 3 363.845 2.614 20 30 FFEDHM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275236272 1012124199 /nfs/dbraw/zinc/12/41/99/1012124199.db2.gz MYXXXXQJHVSIHK-HUUCEWRRSA-N -1 3 353.249 2.898 20 30 FFEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000871316825 1012855247 /nfs/dbraw/zinc/85/52/47/1012855247.db2.gz ZAMWZEUBPGDWKV-SJKOYZFVSA-N -1 3 370.371 2.513 20 30 FFEDHM C#CCN1CC[C@]2(CCCN(C(=O)c3cc([O-])cc(Cl)c3)CC2)C1=O ZINC001275686231 1012858103 /nfs/dbraw/zinc/85/81/03/1012858103.db2.gz DTDQJNVYBWJDSH-LJQANCHMSA-N -1 3 360.841 2.524 20 30 FFEDHM O=C(CCC(=O)N1CCOc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901374440 1019016586 /nfs/dbraw/zinc/01/65/86/1019016586.db2.gz IMFAHJCYWLZQAZ-UHFFFAOYSA-N -1 3 358.369 2.749 20 30 FFEDHM C#CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC000901531959 1019183059 /nfs/dbraw/zinc/18/30/59/1019183059.db2.gz ZPKUXRQKORXJOH-FQEVSTJZSA-N -1 3 351.402 2.939 20 30 FFEDHM C=CCOC[C@@H](NCc1c(C)nn(Cc2ccc(C)cc2)c1C)C(=O)[O-] ZINC000901808493 1019490602 /nfs/dbraw/zinc/49/06/02/1019490602.db2.gz FXYQFVLYHCNLKR-LJQANCHMSA-N -1 3 357.454 2.602 20 30 FFEDHM C=CCOC[C@H](NCc1c(C)nn(-c2ccc(F)cc2F)c1C)C(=O)[O-] ZINC000901808980 1019491900 /nfs/dbraw/zinc/49/19/00/1019491900.db2.gz AWEVIDUSBVHWJJ-INIZCTEOSA-N -1 3 365.380 2.513 20 30 FFEDHM Cc1nc(N2CC[C@@H]3CCN(C(=O)c4ccccc4[O-])C[C@@H]32)ccc1C#N ZINC001044924906 1019749764 /nfs/dbraw/zinc/74/97/64/1019749764.db2.gz SMYIJWMNQFPHMI-YJBOKZPZSA-N -1 3 362.433 2.708 20 30 FFEDHM COc1cccc([O-])c1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000900030011 1020149121 /nfs/dbraw/zinc/14/91/21/1020149121.db2.gz KDLSGKDTYVDQTL-MRXNPFEDSA-N -1 3 369.396 2.563 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCc2sccc2C1 ZINC001122400980 1023245719 /nfs/dbraw/zinc/24/57/19/1023245719.db2.gz XKHIJIRLPFAKAM-UHFFFAOYSA-N -1 3 361.862 2.917 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCc2sccc2C1 ZINC001122400980 1023245724 /nfs/dbraw/zinc/24/57/24/1023245724.db2.gz XKHIJIRLPFAKAM-UHFFFAOYSA-N -1 3 361.862 2.917 20 30 FFEDHM N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1nc(N)c2ccccc2n1 ZINC001122415657 1023255167 /nfs/dbraw/zinc/25/51/67/1023255167.db2.gz LVUCLUXAWKDOKM-HNNXBMFYSA-N -1 3 358.405 2.697 20 30 FFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1n[nH]c(C)c1C ZINC001122496736 1023305449 /nfs/dbraw/zinc/30/54/49/1023305449.db2.gz OYWWOLAUIZZHEW-LLVKDONJSA-N -1 3 360.801 2.958 20 30 FFEDHM C=CCCCCCN(C)c1nnc(-c2cnc[n-]c2=O)n1C[C@H]1CCCO1 ZINC001122799816 1023481286 /nfs/dbraw/zinc/48/12/86/1023481286.db2.gz BEKODJOBEYTUDW-OAHLLOKOSA-N -1 3 372.473 2.802 20 30 FFEDHM COC(=O)CC1CCC(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000754559513 1023487535 /nfs/dbraw/zinc/48/75/35/1023487535.db2.gz NBYPQVBWXVUNFD-UHFFFAOYSA-N -1 3 374.437 2.873 20 30 FFEDHM N#CC[C@@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC001121065825 1023590224 /nfs/dbraw/zinc/59/02/24/1023590224.db2.gz VXKYHLMCDJRPTD-SECBINFHSA-N -1 3 371.212 2.744 20 30 FFEDHM COc1ccc(OCC2N=NC(=S)N2N=Cc2ccc([O-])c(F)c2)cc1 ZINC000755529884 1023607240 /nfs/dbraw/zinc/60/72/40/1023607240.db2.gz FGXXYUSWQLEDJU-UHFFFAOYSA-N -1 3 374.397 2.881 20 30 FFEDHM COc1ccc(C2N=NC(=S)N2N=Cc2cc(F)ccc2[O-])cc1OC ZINC000755541140 1023608139 /nfs/dbraw/zinc/60/81/39/1023608139.db2.gz AXWDQZUHEANVOJ-UHFFFAOYSA-N -1 3 374.397 2.978 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001121607034 1023878335 /nfs/dbraw/zinc/87/83/35/1023878335.db2.gz HXISTOHEUAMVDA-HUUCEWRRSA-N -1 3 372.473 2.575 20 30 FFEDHM C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2c(O)cc3ccccc3c2[O-])C1 ZINC001154028440 1028116884 /nfs/dbraw/zinc/11/68/84/1028116884.db2.gz XXUXQUSVBADJQD-CQSZACIVSA-N -1 3 370.405 2.768 20 30 FFEDHM N#Cc1c2c(sc1NC(=O)c1ccc3c(=O)[n-][nH]c(=O)c3c1)CCC2 ZINC001154310684 1028233663 /nfs/dbraw/zinc/23/36/63/1028233663.db2.gz QVEWVLZFIXORRG-UHFFFAOYSA-N -1 3 352.375 2.715 20 30 FFEDHM N#Cc1c2c(sc1NC(=O)c1ccc3c(=O)[nH][n-]c(=O)c3c1)CCC2 ZINC001154310684 1028233678 /nfs/dbraw/zinc/23/36/78/1028233678.db2.gz QVEWVLZFIXORRG-UHFFFAOYSA-N -1 3 352.375 2.715 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc3c(=O)[n-][nH]c(=O)c3c2)c2cccnc12 ZINC001154319964 1028239788 /nfs/dbraw/zinc/23/97/88/1028239788.db2.gz YYUIMTCBSUGRLV-UHFFFAOYSA-N -1 3 357.329 2.713 20 30 FFEDHM N#Cc1ccc(NC(=O)c2ccc3c(=O)[nH][n-]c(=O)c3c2)c2cccnc12 ZINC001154319964 1028239804 /nfs/dbraw/zinc/23/98/04/1028239804.db2.gz YYUIMTCBSUGRLV-UHFFFAOYSA-N -1 3 357.329 2.713 20 30 FFEDHM C[C@@H](OC1CCCCC1)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802271 1028317647 /nfs/dbraw/zinc/31/76/47/1028317647.db2.gz PCFXXLPPGRXPMU-CQSZACIVSA-N -1 3 374.437 2.628 20 30 FFEDHM O=C(c1sccc1Cl)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802155 1028317722 /nfs/dbraw/zinc/31/77/22/1028317722.db2.gz JIMLUOPJEPXKKZ-UHFFFAOYSA-N -1 3 364.810 2.919 20 30 FFEDHM CCCCCCN([O-])C(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC001161826533 1028326807 /nfs/dbraw/zinc/32/68/07/1028326807.db2.gz DYNNYANVGQTVRR-KBPBESRZSA-N -1 3 353.463 2.531 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NC[C@H](O)c3cc4ccccc4o3)cc(=O)c2c1 ZINC001154560571 1028353706 /nfs/dbraw/zinc/35/37/06/1028353706.db2.gz NELCXVBIJYHTFI-SFHVURJKSA-N -1 3 373.368 2.609 20 30 FFEDHM COc1ncccc1[C@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C1CC1 ZINC001154560257 1028355109 /nfs/dbraw/zinc/35/51/09/1028355109.db2.gz HSERGLPRWNIZMZ-LJQANCHMSA-N -1 3 374.400 2.684 20 30 FFEDHM [O-]N=C(Nc1cc2c(nn1)CCOC2)c1ccc(OC(F)(F)F)cc1 ZINC001155913877 1028972731 /nfs/dbraw/zinc/97/27/31/1028972731.db2.gz AJUVRPFJKFYAAG-UHFFFAOYSA-N -1 3 354.288 2.696 20 30 FFEDHM C=CCOC(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203649758 1030803826 /nfs/dbraw/zinc/80/38/26/1030803826.db2.gz FODPURLRNCQYAX-UHFFFAOYSA-N -1 3 355.232 2.595 20 30 FFEDHM CCOc1cccc2cc(C(=O)[N-]c3c(C#N)cnn3C(=O)OC)oc21 ZINC001150531625 1031735142 /nfs/dbraw/zinc/73/51/42/1031735142.db2.gz SBFMHXVBQFSESL-UHFFFAOYSA-N -1 3 354.322 2.766 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](O)C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[n-]1 ZINC001225470081 1034267914 /nfs/dbraw/zinc/26/79/14/1034267914.db2.gz QJFCOJMKRIKNAB-LHNNODEJSA-N -1 3 362.426 2.669 20 30 FFEDHM C#CCN1CC[C@@]2(CCCN(Cc3ccc(C(=O)[O-])cc3C)CC2)C1=O ZINC001277047999 1034271573 /nfs/dbraw/zinc/27/15/73/1034271573.db2.gz DSIXCGVQLFSSMO-NRFANRHFSA-N -1 3 354.450 2.531 20 30 FFEDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226253169 1034595241 /nfs/dbraw/zinc/59/52/41/1034595241.db2.gz FMWFVZUTJGWIFW-WKYNXFGKSA-N -1 3 350.419 2.699 20 30 FFEDHM N#CCCCN1C[C@@]2(CC1=O)CCCCN2Cc1c(F)ccc([O-])c1F ZINC001277129849 1034695895 /nfs/dbraw/zinc/69/58/95/1034695895.db2.gz FJFVTPYSUGHHEG-IBGZPJMESA-N -1 3 363.408 2.931 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N1C[C@H]2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]21 ZINC001221762193 1035048455 /nfs/dbraw/zinc/04/84/55/1035048455.db2.gz SOMAANUKLVQTSG-YXJHDRRASA-N -1 3 370.497 2.695 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cn(CC2CC2)nn1 ZINC000835061683 1035497260 /nfs/dbraw/zinc/49/72/60/1035497260.db2.gz JEPQDYZCKCGHFO-INIZCTEOSA-N -1 3 359.389 2.802 20 30 FFEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cn(CC2CC2)nn1 ZINC000835061684 1035497754 /nfs/dbraw/zinc/49/77/54/1035497754.db2.gz JEPQDYZCKCGHFO-MRXNPFEDSA-N -1 3 359.389 2.802 20 30 FFEDHM N#Cc1ccnc(N2CCC(Oc3nc4ccc([N+](=O)[O-])cc4[n-]3)CC2)c1 ZINC001227743316 1035709945 /nfs/dbraw/zinc/70/99/45/1035709945.db2.gz LKTAQVMALMHILS-UHFFFAOYSA-N -1 3 364.365 2.786 20 30 FFEDHM N#Cc1ccnc(N2CCC(Oc3nc4cc([N+](=O)[O-])ccc4[n-]3)CC2)c1 ZINC001227743316 1035709963 /nfs/dbraw/zinc/70/99/63/1035709963.db2.gz LKTAQVMALMHILS-UHFFFAOYSA-N -1 3 364.365 2.786 20 30 FFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820562 1035755584 /nfs/dbraw/zinc/75/55/84/1035755584.db2.gz WXADXVUARFFCSD-CQSZACIVSA-N -1 3 364.398 2.518 20 30 FFEDHM N#Cc1c(F)cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC001140755902 1036070019 /nfs/dbraw/zinc/07/00/19/1036070019.db2.gz YEWHFDWFJHWIQQ-UHFFFAOYSA-N -1 3 357.360 2.500 20 30 FFEDHM C=CCCC(C)(C)CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001234225495 1036966579 /nfs/dbraw/zinc/96/65/79/1036966579.db2.gz JHDPVYZYWKORLW-UHFFFAOYSA-N -1 3 359.470 2.852 20 30 FFEDHM C[C@@H]1[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CN1C(=O)OC(C)(C)C ZINC001234512892 1037068182 /nfs/dbraw/zinc/06/81/82/1037068182.db2.gz GNIHGCBADVQEQV-MFKMUULPSA-N -1 3 356.382 2.594 20 30 FFEDHM CN1CC[C@H](Oc2cc(/C=C3\COc4cc([O-])ccc4C3=O)ccc2O)C1 ZINC001234716286 1037151950 /nfs/dbraw/zinc/15/19/50/1037151950.db2.gz DLRWVTPFDHPJEZ-SBNBMVPLSA-N -1 3 367.401 2.839 20 30 FFEDHM CCN1CC[C@@H](Oc2c(C#N)c(C#N)c([O-])c3cccc([N+](=O)[O-])c32)C1 ZINC001231228507 1037505089 /nfs/dbraw/zinc/50/50/89/1037505089.db2.gz RWTRIHGBWQQDRW-LLVKDONJSA-N -1 3 352.350 2.670 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562978 1037687308 /nfs/dbraw/zinc/68/73/08/1037687308.db2.gz KXIVMKGKPYUXRZ-ICSRJNTNSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562978 1037687316 /nfs/dbraw/zinc/68/73/16/1037687316.db2.gz KXIVMKGKPYUXRZ-ICSRJNTNSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236806564 1038282262 /nfs/dbraw/zinc/28/22/62/1038282262.db2.gz YLPQZEYIJQXTHK-GFCCVEGCSA-N -1 3 354.834 2.931 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605249 1038617545 /nfs/dbraw/zinc/61/75/45/1038617545.db2.gz DBIGTVWCZKRVCP-FQEVSTJZSA-N -1 3 358.438 2.624 20 30 FFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001276605249 1038617549 /nfs/dbraw/zinc/61/75/49/1038617549.db2.gz DBIGTVWCZKRVCP-FQEVSTJZSA-N -1 3 358.438 2.624 20 30 FFEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C(=O)[O-])s1 ZINC001276613711 1038659977 /nfs/dbraw/zinc/65/99/77/1038659977.db2.gz ORKYDIXIONOBGC-GOSISDBHSA-N -1 3 361.467 2.707 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)cc1 ZINC001251849321 1039323861 /nfs/dbraw/zinc/32/38/61/1039323861.db2.gz UQEKDVIDCWFCGW-UHFFFAOYSA-N -1 3 369.324 2.735 20 30 FFEDHM CS(=O)(=O)c1ccc(-n2ncc(C#N)c2Nc2ccc(F)cc2[O-])cc1 ZINC001210015816 1039332675 /nfs/dbraw/zinc/33/26/75/1039332675.db2.gz RYRYJNSHEBZMEN-UHFFFAOYSA-N -1 3 372.381 2.736 20 30 FFEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)[C@@H](C)CC ZINC001259243955 1039831535 /nfs/dbraw/zinc/83/15/35/1039831535.db2.gz HNXYERGHQYBKQY-WFASDCNBSA-N -1 3 359.875 2.903 20 30 FFEDHM Cc1cc(Br)c(C[N-]S(=O)(=O)c2ccc(C#N)o2)s1 ZINC001213152487 1040286334 /nfs/dbraw/zinc/28/63/34/1040286334.db2.gz NNARPOAANBNOQG-UHFFFAOYSA-N -1 3 361.242 2.762 20 30 FFEDHM C#C[C@H]1CCCN(Cc2cc(I)c(OC)cc2[O-])C1 ZINC001248472277 1040292125 /nfs/dbraw/zinc/29/21/25/1040292125.db2.gz VXMDNUTXWSIPHP-NSHDSACASA-N -1 3 371.218 2.851 20 30 FFEDHM CCCCCCCCOC(=O)C[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260047827 1040378633 /nfs/dbraw/zinc/37/86/33/1040378633.db2.gz VKAULIWXVOYNTB-UHFFFAOYSA-N -1 3 366.483 2.881 20 30 FFEDHM C=CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001260473635 1040615961 /nfs/dbraw/zinc/61/59/61/1040615961.db2.gz FCGYXULVNQSCPH-VIFPVBQESA-N -1 3 355.312 2.984 20 30 FFEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(OC)c([O-])c1Cl ZINC001276736532 1041977703 /nfs/dbraw/zinc/97/77/03/1041977703.db2.gz VIVWNEWANYNYAT-ZIAGYGMSSA-N -1 3 350.846 2.806 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001262963013 1041992502 /nfs/dbraw/zinc/99/25/02/1041992502.db2.gz CHFKCUFHHFHMDI-BONVTDFDSA-N -1 3 369.347 2.994 20 30 FFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2OC)cc1 ZINC001263295353 1042226176 /nfs/dbraw/zinc/22/61/76/1042226176.db2.gz WNURSLNLOXHEQB-IUODEOHRSA-N -1 3 354.410 2.903 20 30 FFEDHM CCOc1ccc(/C=N/Cc2c(F)cccc2[N-]S(C)(=O)=O)c(O)c1 ZINC001319194822 1045063541 /nfs/dbraw/zinc/06/35/41/1045063541.db2.gz LWDAOYLTMJDZCP-VXLYETTFSA-N -1 3 366.414 2.921 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(C)(C)C)nn1C ZINC001317698713 1045121333 /nfs/dbraw/zinc/12/13/33/1045121333.db2.gz PJHXHGCFEFKVCE-UHFFFAOYSA-N -1 3 355.442 2.878 20 30 FFEDHM N#Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])CC2=O)cc1 ZINC001318048352 1045201318 /nfs/dbraw/zinc/20/13/18/1045201318.db2.gz KAYOVLNEZXARLQ-LBPRGKRZSA-N -1 3 355.781 2.909 20 30 FFEDHM C=C[C@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001320582110 1045432236 /nfs/dbraw/zinc/43/22/36/1045432236.db2.gz URRSIPYXBRKHDW-SECBINFHSA-N -1 3 354.653 2.582 20 30 FFEDHM CC#CCCCC(=O)NCC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001282557999 1045866685 /nfs/dbraw/zinc/86/66/85/1045866685.db2.gz LJEVBZLGNLCKMU-IAGOWNOFSA-N -1 3 356.466 2.800 20 30 FFEDHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC#Cc1ccccc1)c1ccccc1[O-] ZINC001282602947 1045949041 /nfs/dbraw/zinc/94/90/41/1045949041.db2.gz XUFULJOOCHXXDR-HOJAQTOUSA-N -1 3 374.440 2.696 20 30 FFEDHM C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001297610805 1050243509 /nfs/dbraw/zinc/24/35/09/1050243509.db2.gz RUZRMRNFKFLMDY-GHMZBOCLSA-N -1 3 372.812 2.705 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@](C)(C(=O)OC)C3)n2C)c1[O-] ZINC001340035475 1050446074 /nfs/dbraw/zinc/44/60/74/1050446074.db2.gz INXLFQXVGKXNPH-FQEVSTJZSA-N -1 3 370.453 2.696 20 30 FFEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001341868295 1050476469 /nfs/dbraw/zinc/47/64/69/1050476469.db2.gz LOYMGMPNBMTDBP-ZDUSSCGKSA-N -1 3 355.780 2.528 20 30 FFEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001341868295 1050476470 /nfs/dbraw/zinc/47/64/70/1050476470.db2.gz LOYMGMPNBMTDBP-ZDUSSCGKSA-N -1 3 355.780 2.528 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001298992961 1050571452 /nfs/dbraw/zinc/57/14/52/1050571452.db2.gz FNIHSBKXQPJDRG-UHFFFAOYSA-N -1 3 350.407 2.658 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001298992961 1050571465 /nfs/dbraw/zinc/57/14/65/1050571465.db2.gz FNIHSBKXQPJDRG-UHFFFAOYSA-N -1 3 350.407 2.658 20 30 FFEDHM Cn1nc(C(=O)N([O-])CCCCc2ccccc2)c2ccccc2c1=O ZINC001306896116 1052215196 /nfs/dbraw/zinc/21/51/96/1052215196.db2.gz KNDMMDYJXPXZNC-UHFFFAOYSA-N -1 3 351.406 2.788 20 30 FFEDHM C=C(C)CN(C)c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1cccs1 ZINC001343494857 1052266079 /nfs/dbraw/zinc/26/60/79/1052266079.db2.gz FIBZLSXXKFIHNH-UHFFFAOYSA-N -1 3 356.455 2.871 20 30 FFEDHM CCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)c1C ZINC001343510198 1052274138 /nfs/dbraw/zinc/27/41/38/1052274138.db2.gz PANBFOGCAHWBOL-CQSZACIVSA-N -1 3 354.410 2.961 20 30 FFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccc(C)cc2C1 ZINC001343670842 1052366480 /nfs/dbraw/zinc/36/64/80/1052366480.db2.gz YVFWZDBGVQGNAC-UHFFFAOYSA-N -1 3 362.437 2.888 20 30 FFEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001343751825 1052402032 /nfs/dbraw/zinc/40/20/32/1052402032.db2.gz NNXPYAFTQSDTHW-INIZCTEOSA-N -1 3 364.457 2.624 20 30 FFEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001343751825 1052402034 /nfs/dbraw/zinc/40/20/34/1052402034.db2.gz NNXPYAFTQSDTHW-INIZCTEOSA-N -1 3 364.457 2.624 20 30 FFEDHM Cc1cnc2c(cnn2CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC001344013810 1052546012 /nfs/dbraw/zinc/54/60/12/1052546012.db2.gz UQNPHWOPOFWOAH-KRWDZBQOSA-N -1 3 358.401 2.750 20 30 FFEDHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)n2)cc1F ZINC001309306612 1052595924 /nfs/dbraw/zinc/59/59/24/1052595924.db2.gz XUFZLOSDNIAHBE-NSHDSACASA-N -1 3 366.418 2.714 20 30 FFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001345973068 1052691029 /nfs/dbraw/zinc/69/10/29/1052691029.db2.gz DOECGKZVNRZZNZ-OAHLLOKOSA-N -1 3 354.458 2.952 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001348652717 1054841520 /nfs/dbraw/zinc/84/15/20/1054841520.db2.gz FEUDBTDOGGICKJ-SNVBAGLBSA-N -1 3 371.340 2.549 20 30 FFEDHM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1CCO[C@@H]1CCCCO1 ZINC001357598716 1055959567 /nfs/dbraw/zinc/95/95/67/1055959567.db2.gz LALBUCQABAKHEK-KBXCAEBGSA-N -1 3 372.400 2.759 20 30 FFEDHM Cc1ccc([O-])c(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000847984953 1058575961 /nfs/dbraw/zinc/57/59/61/1058575961.db2.gz PGUMDGQADPDFTE-UHFFFAOYSA-N -1 3 359.426 2.685 20 30 FFEDHM C#C[C@H](NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C(C)C ZINC001448624173 1058799333 /nfs/dbraw/zinc/79/93/33/1058799333.db2.gz WVUSLNKWZKUQTQ-LBPRGKRZSA-N -1 3 352.312 2.814 20 30 FFEDHM C=C(C)CN(C)c1nnc(-c2cc(=O)[n-]c(C)n2)n1Cc1ccccc1 ZINC001354343932 1058878511 /nfs/dbraw/zinc/87/85/11/1058878511.db2.gz RNRKNGXOVNOBLW-UHFFFAOYSA-N -1 3 350.426 2.810 20 30 FFEDHM N#Cc1cccc2c1CCN2C(=O)c1cnc2c(F)cc(F)cc2c1[O-] ZINC001451861379 1059157304 /nfs/dbraw/zinc/15/73/04/1059157304.db2.gz OKQRGTWXFBQJPB-UHFFFAOYSA-N -1 3 351.312 2.881 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[C@H](OC)C1 ZINC001520197986 1059476443 /nfs/dbraw/zinc/47/64/43/1059476443.db2.gz LDNRKELNUORGSK-NSHDSACASA-N -1 3 357.439 2.672 20 30 FFEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001520278543 1059564642 /nfs/dbraw/zinc/56/46/42/1059564642.db2.gz LFXXSEDKUILZBW-GFCCVEGCSA-N -1 3 372.864 2.613 20 30 FFEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001520278543 1059564663 /nfs/dbraw/zinc/56/46/63/1059564663.db2.gz LFXXSEDKUILZBW-GFCCVEGCSA-N -1 3 372.864 2.613 20 30 FFEDHM COC(=O)CCN(CC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001454943179 1059647537 /nfs/dbraw/zinc/64/75/37/1059647537.db2.gz UUFZJODVJBTIRV-UHFFFAOYSA-N -1 3 354.362 2.713 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)OCC)C3)n2C)c1[O-] ZINC001355746287 1060556231 /nfs/dbraw/zinc/55/62/31/1060556231.db2.gz RSPBWCUHHSRQIR-OAHLLOKOSA-N -1 3 370.453 2.696 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)c2ccc(F)cc2)c(F)c1 ZINC001475494387 1061113310 /nfs/dbraw/zinc/11/33/10/1061113310.db2.gz OHAJXBWLRJYQSN-INIZCTEOSA-N -1 3 374.372 2.627 20 30 FFEDHM Cc1cc(-c2nc(C(=O)[N-]c3ncc4c(c3C#N)COCC4)co2)ccn1 ZINC001461016391 1061186180 /nfs/dbraw/zinc/18/61/80/1061186180.db2.gz RTJBPQPYOPSNNQ-UHFFFAOYSA-N -1 3 361.361 2.637 20 30 FFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(C)cc1)C(=O)OCC ZINC001464257668 1062510029 /nfs/dbraw/zinc/51/00/29/1062510029.db2.gz PADQQGSNAUAQLK-BOLDSZDNSA-N -1 3 357.859 2.959 20 30 FFEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001464463914 1062627478 /nfs/dbraw/zinc/62/74/78/1062627478.db2.gz BGILEQXUXBFYIR-RHSMWYFYSA-N -1 3 350.422 2.533 20 30 FFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cn1 ZINC001523873701 1062641825 /nfs/dbraw/zinc/64/18/25/1062641825.db2.gz DUAZQLNMNRGQDE-NSHDSACASA-N -1 3 361.304 2.653 20 30 FFEDHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCCCCC#N)c2)[n-]1 ZINC001531087492 1062693845 /nfs/dbraw/zinc/69/38/45/1062693845.db2.gz IPYPYGILLIQTCD-UHFFFAOYSA-N -1 3 369.425 2.739 20 30 FFEDHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCCCCC#N)c2)n[n-]1 ZINC001531087492 1062693853 /nfs/dbraw/zinc/69/38/53/1062693853.db2.gz IPYPYGILLIQTCD-UHFFFAOYSA-N -1 3 369.425 2.739 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccsc2C)ccc1F ZINC001531808350 1062884043 /nfs/dbraw/zinc/88/40/43/1062884043.db2.gz HDWMEHHODQELJM-UHFFFAOYSA-N -1 3 354.428 2.912 20 30 FFEDHM C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2ccccc2C#N)C(=O)N1c1ccccc1 ZINC001465463607 1063105274 /nfs/dbraw/zinc/10/52/74/1063105274.db2.gz DCVJDDOENWKPQV-DYVFJYSZSA-N -1 3 369.371 2.960 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H](C)CCC)ccc1F ZINC001533847025 1063425000 /nfs/dbraw/zinc/42/50/00/1063425000.db2.gz LSMHDSVCJWJZQE-CYBMUJFWSA-N -1 3 356.463 2.846 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(c3ccccc3)C2)ccc1F ZINC001471060751 1064544893 /nfs/dbraw/zinc/54/48/93/1064544893.db2.gz NBPZTQHXAXOFBE-UHFFFAOYSA-N -1 3 374.437 2.530 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](O)c1c(F)cccc1F ZINC001471867401 1064828700 /nfs/dbraw/zinc/82/87/00/1064828700.db2.gz PQWAZHYRAVVVDU-CQSZACIVSA-N -1 3 352.287 2.778 20 30 FFEDHM C[C@@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001575329866 1078129649 /nfs/dbraw/zinc/12/96/49/1078129649.db2.gz FTFLSQAEFSICFL-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM C[C@@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001575329866 1078129650 /nfs/dbraw/zinc/12/96/50/1078129650.db2.gz FTFLSQAEFSICFL-LLVKDONJSA-N -1 3 357.377 2.711 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N([O-])Cc3ccc(F)cc3)[C@H]2C1 ZINC001472622473 1065113988 /nfs/dbraw/zinc/11/39/88/1065113988.db2.gz KSOPTEUHPPVNMP-FICVDOATSA-N -1 3 350.390 2.656 20 30 FFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1sccc1CC#N ZINC001578394777 1078468814 /nfs/dbraw/zinc/46/88/14/1078468814.db2.gz PLIZOOVZIRGGJY-UHFFFAOYSA-N -1 3 354.395 2.645 20 30 FFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1sccc1CC#N ZINC001578394777 1078468816 /nfs/dbraw/zinc/46/88/16/1078468816.db2.gz PLIZOOVZIRGGJY-UHFFFAOYSA-N -1 3 354.395 2.645 20 30 FFEDHM Cc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc(C)c1-c1nnn[n-]1 ZINC001580823794 1078872677 /nfs/dbraw/zinc/87/26/77/1078872677.db2.gz GRJFBORKTQHODX-NRFANRHFSA-N -1 3 372.432 2.665 20 30 FFEDHM Cc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc(C)c1-c1nn[n-]n1 ZINC001580823794 1078872683 /nfs/dbraw/zinc/87/26/83/1078872683.db2.gz GRJFBORKTQHODX-NRFANRHFSA-N -1 3 372.432 2.665 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC001581857094 1079009291 /nfs/dbraw/zinc/00/92/91/1079009291.db2.gz PIALRWWVYXPZTA-AWEZNQCLSA-N -1 3 356.748 2.654 20 30 FFEDHM N#Cc1c(F)cc(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC001581861368 1079008405 /nfs/dbraw/zinc/00/84/05/1079008405.db2.gz PYXWPICXVJKAGD-UHFFFAOYSA-N -1 3 374.738 2.600 20 30 FFEDHM N#Cc1c(F)cc(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC001581861368 1079008410 /nfs/dbraw/zinc/00/84/10/1079008410.db2.gz PYXWPICXVJKAGD-UHFFFAOYSA-N -1 3 374.738 2.600 20 30 FFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC001581857094 1079009305 /nfs/dbraw/zinc/00/93/05/1079009305.db2.gz PIALRWWVYXPZTA-AWEZNQCLSA-N -1 3 356.748 2.654 20 30 FFEDHM N#Cc1cc(C#N)c(SCc2cc(Cl)cc(-c3nnn[n-]3)c2)nc1N ZINC001581863417 1079009430 /nfs/dbraw/zinc/00/94/30/1079009430.db2.gz NLQPAMCPEAPWKN-UHFFFAOYSA-N -1 3 368.813 2.533 20 30 FFEDHM N#Cc1cc(C#N)c(SCc2cc(Cl)cc(-c3nn[n-]n3)c2)nc1N ZINC001581863417 1079009436 /nfs/dbraw/zinc/00/94/36/1079009436.db2.gz NLQPAMCPEAPWKN-UHFFFAOYSA-N -1 3 368.813 2.533 20 30 FFEDHM N#CCSc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001581858502 1079009451 /nfs/dbraw/zinc/00/94/51/1079009451.db2.gz IYMQAVQXTHQTKG-UHFFFAOYSA-N -1 3 355.354 2.841 20 30 FFEDHM N#CCSc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001581858502 1079009456 /nfs/dbraw/zinc/00/94/56/1079009456.db2.gz IYMQAVQXTHQTKG-UHFFFAOYSA-N -1 3 355.354 2.841 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC001581858500 1079009475 /nfs/dbraw/zinc/00/94/75/1079009475.db2.gz IXHMBVOPGQVVGU-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM N#CCSc1cccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC001581858500 1079009477 /nfs/dbraw/zinc/00/94/77/1079009477.db2.gz IXHMBVOPGQVVGU-UHFFFAOYSA-N -1 3 354.370 2.874 20 30 FFEDHM N#Cc1ccc(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1Cl ZINC001581868263 1079010256 /nfs/dbraw/zinc/01/02/56/1079010256.db2.gz OIOWRKBHWMZKNQ-UHFFFAOYSA-N -1 3 350.769 2.548 20 30 FFEDHM N#Cc1ccc(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1Cl ZINC001581868263 1079010266 /nfs/dbraw/zinc/01/02/66/1079010266.db2.gz OIOWRKBHWMZKNQ-UHFFFAOYSA-N -1 3 350.769 2.548 20 30 FFEDHM N#Cc1ccccc1N(C(=O)c1sccc1-c1nnn[n-]1)C1CCC1 ZINC001581876341 1079012684 /nfs/dbraw/zinc/01/26/84/1079012684.db2.gz MVCYNZKPONGKDY-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#Cc1ccccc1N(C(=O)c1sccc1-c1nn[n-]n1)C1CCC1 ZINC001581876341 1079012691 /nfs/dbraw/zinc/01/26/91/1079012691.db2.gz MVCYNZKPONGKDY-UHFFFAOYSA-N -1 3 350.407 2.999 20 30 FFEDHM N#Cc1cncc(CSc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC001581877818 1079013256 /nfs/dbraw/zinc/01/32/56/1079013256.db2.gz LCDOKDINBXTARD-UHFFFAOYSA-N -1 3 363.328 2.839 20 30 FFEDHM N#Cc1cncc(CSc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC001581877818 1079013267 /nfs/dbraw/zinc/01/32/67/1079013267.db2.gz LCDOKDINBXTARD-UHFFFAOYSA-N -1 3 363.328 2.839 20 30 FFEDHM Cc1ncc(CO)c(C=N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC001548834023 1073458139 /nfs/dbraw/zinc/45/81/39/1073458139.db2.gz XISDPATXFNRXRC-DOQYOOLYSA-N -1 3 368.437 2.688 20 30 FFEDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3cc(Br)ccc3C#N)C2)n1 ZINC001559279371 1076144907 /nfs/dbraw/zinc/14/49/07/1076144907.db2.gz NNWSMMCYEMIZEW-CYBMUJFWSA-N -1 3 374.242 2.816 20 30 FFEDHM C#CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC001561866245 1076436231 /nfs/dbraw/zinc/43/62/31/1076436231.db2.gz AKQBRUIHQQXHQT-UHFFFAOYSA-N -1 3 373.228 2.582 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccncc1Br ZINC001561889949 1076439495 /nfs/dbraw/zinc/43/94/95/1076439495.db2.gz UEURQKZKZWJCIK-QMMMGPOBSA-N -1 3 372.269 2.817 20 30 FFEDHM N#Cc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Oc1ccccc1 ZINC001562673672 1076510234 /nfs/dbraw/zinc/51/02/34/1076510234.db2.gz RTAIXHPSJNHXBK-MRXNPFEDSA-N -1 3 366.377 2.852 20 30 FFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001569561517 1077152392 /nfs/dbraw/zinc/15/23/92/1077152392.db2.gz UFINXHMLKKGWFL-SNVBAGLBSA-N -1 3 372.233 2.837 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC001569676682 1077158742 /nfs/dbraw/zinc/15/87/42/1077158742.db2.gz XMFUEFLYJPEUKQ-ZDUSSCGKSA-N -1 3 361.785 2.637 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588325556 1079984375 /nfs/dbraw/zinc/98/43/75/1079984375.db2.gz ONNVLYOMXKIISC-IUODEOHRSA-N -1 3 366.347 2.571 20 30 FFEDHM C#C[C@](C)(CC)NC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588325556 1079984380 /nfs/dbraw/zinc/98/43/80/1079984380.db2.gz ONNVLYOMXKIISC-IUODEOHRSA-N -1 3 366.347 2.571 20 30 FFEDHM C#CC[C@H](OC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccn1 ZINC001588335073 1079988636 /nfs/dbraw/zinc/98/86/36/1079988636.db2.gz WQCGGYFJAFJCQZ-SFHVURJKSA-N -1 3 361.405 2.729 20 30 FFEDHM C#CC[C@H](OC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccn1 ZINC001588335073 1079988643 /nfs/dbraw/zinc/98/86/43/1079988643.db2.gz WQCGGYFJAFJCQZ-SFHVURJKSA-N -1 3 361.405 2.729 20 30 FFEDHM C#CCOc1cccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)c1 ZINC001588363028 1079993455 /nfs/dbraw/zinc/99/34/55/1079993455.db2.gz GHGSEDWOXLOIAC-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C#CCOc1cccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC001588363028 1079993459 /nfs/dbraw/zinc/99/34/59/1079993459.db2.gz GHGSEDWOXLOIAC-UHFFFAOYSA-N -1 3 353.769 2.784 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)c1 ZINC001588374925 1079998102 /nfs/dbraw/zinc/99/81/02/1079998102.db2.gz WOQPXWFTDBCYGH-UHFFFAOYSA-N -1 3 360.421 2.581 20 30 FFEDHM C#Cc1cccc(N(CC)C(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)c1 ZINC001588374925 1079998111 /nfs/dbraw/zinc/99/81/11/1079998111.db2.gz WOQPXWFTDBCYGH-UHFFFAOYSA-N -1 3 360.421 2.581 20 30 FFEDHM C(=NNCc1ccccc1)c1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001588381747 1080000182 /nfs/dbraw/zinc/00/01/82/1080000182.db2.gz SLWZTKXRXDMVGY-UHFFFAOYSA-N -1 3 357.421 2.840 20 30 FFEDHM C(=NNCc1ccccc1)c1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001588381747 1080000194 /nfs/dbraw/zinc/00/01/94/1080000194.db2.gz SLWZTKXRXDMVGY-UHFFFAOYSA-N -1 3 357.421 2.840 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001588392716 1080004453 /nfs/dbraw/zinc/00/44/53/1080004453.db2.gz HCZJFUPHKYTHDW-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001588392716 1080004464 /nfs/dbraw/zinc/00/44/64/1080004464.db2.gz HCZJFUPHKYTHDW-DZGCQCFKSA-N -1 3 369.473 2.513 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2)OCC ZINC001588401270 1080009759 /nfs/dbraw/zinc/00/97/59/1080009759.db2.gz OIPCLHBPGZWOTA-WBMJQRKESA-N -1 3 370.457 2.696 20 30 FFEDHM C=C(C)[C@H](CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2)OCC ZINC001588401270 1080009768 /nfs/dbraw/zinc/00/97/68/1080009768.db2.gz OIPCLHBPGZWOTA-WBMJQRKESA-N -1 3 370.457 2.696 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588400867 1080010907 /nfs/dbraw/zinc/01/09/07/1080010907.db2.gz HSBKKJAQWRKYBU-AWEZNQCLSA-N -1 3 355.442 2.839 20 30 FFEDHM C=C(C)C[C@H](C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588400867 1080010918 /nfs/dbraw/zinc/01/09/18/1080010918.db2.gz HSBKKJAQWRKYBU-AWEZNQCLSA-N -1 3 355.442 2.839 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001588411455 1080013508 /nfs/dbraw/zinc/01/35/08/1080013508.db2.gz CGKAQWQFFOODSP-UHFFFAOYSA-N -1 3 359.405 2.732 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588411455 1080013521 /nfs/dbraw/zinc/01/35/21/1080013521.db2.gz CGKAQWQFFOODSP-UHFFFAOYSA-N -1 3 359.405 2.732 20 30 FFEDHM C#CC[C@H](NCc1cc(Br)cc(C)c1OC(F)F)C(=O)[O-] ZINC001588423150 1080022644 /nfs/dbraw/zinc/02/26/44/1080022644.db2.gz XWCKOPBNMFLLMR-NSHDSACASA-N -1 3 362.170 2.925 20 30 FFEDHM C=C(C)CONC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588430397 1080024901 /nfs/dbraw/zinc/02/49/01/1080024901.db2.gz YYPLLXVNTXNUMX-UHFFFAOYSA-N -1 3 367.369 2.683 20 30 FFEDHM C=C(C)CONC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588430397 1080024912 /nfs/dbraw/zinc/02/49/12/1080024912.db2.gz YYPLLXVNTXNUMX-UHFFFAOYSA-N -1 3 367.369 2.683 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC(Oc3ccc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC001588449292 1080031292 /nfs/dbraw/zinc/03/12/92/1080031292.db2.gz LIQVSOBHWFSWOU-UHFFFAOYSA-N -1 3 371.416 2.732 20 30 FFEDHM C=C1CC(C)(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001588449292 1080031302 /nfs/dbraw/zinc/03/13/02/1080031302.db2.gz LIQVSOBHWFSWOU-UHFFFAOYSA-N -1 3 371.416 2.732 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588475096 1080041417 /nfs/dbraw/zinc/04/14/17/1080041417.db2.gz MLPPNTANEWNCHU-CHWSQXEVSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588475096 1080041423 /nfs/dbraw/zinc/04/14/23/1080041423.db2.gz MLPPNTANEWNCHU-CHWSQXEVSA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588475100 1080042501 /nfs/dbraw/zinc/04/25/01/1080042501.db2.gz MLPPNTANEWNCHU-STQMWFEESA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588475100 1080042508 /nfs/dbraw/zinc/04/25/08/1080042508.db2.gz MLPPNTANEWNCHU-STQMWFEESA-N -1 3 372.448 2.692 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588484505 1080047840 /nfs/dbraw/zinc/04/78/40/1080047840.db2.gz GANJITGQSNXLAU-UHFFFAOYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588484505 1080047846 /nfs/dbraw/zinc/04/78/46/1080047846.db2.gz GANJITGQSNXLAU-UHFFFAOYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588484444 1080048528 /nfs/dbraw/zinc/04/85/28/1080048528.db2.gz DDTBDQNYFDGFQK-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588484444 1080048534 /nfs/dbraw/zinc/04/85/34/1080048534.db2.gz DDTBDQNYFDGFQK-KGLIPLIRSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CCNC(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588488333 1080051689 /nfs/dbraw/zinc/05/16/89/1080051689.db2.gz ZUWXVZKNPVGOFP-INIZCTEOSA-N -1 3 370.457 2.552 20 30 FFEDHM C=CC(C)(C)CCNC(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588488333 1080051695 /nfs/dbraw/zinc/05/16/95/1080051695.db2.gz ZUWXVZKNPVGOFP-INIZCTEOSA-N -1 3 370.457 2.552 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001588491882 1080053762 /nfs/dbraw/zinc/05/37/62/1080053762.db2.gz LOEDDCVPDPSRBT-KUHUBIRLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001588491882 1080053774 /nfs/dbraw/zinc/05/37/74/1080053774.db2.gz LOEDDCVPDPSRBT-KUHUBIRLSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001588492888 1080056326 /nfs/dbraw/zinc/05/63/26/1080056326.db2.gz XJYGZVBFDBFRHU-SFHVURJKSA-N -1 3 360.437 2.503 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001588492888 1080056334 /nfs/dbraw/zinc/05/63/34/1080056334.db2.gz XJYGZVBFDBFRHU-SFHVURJKSA-N -1 3 360.437 2.503 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588495917 1080058565 /nfs/dbraw/zinc/05/85/65/1080058565.db2.gz JWLIJQMOLHUABZ-PZROIBLQSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588495917 1080058577 /nfs/dbraw/zinc/05/85/77/1080058577.db2.gz JWLIJQMOLHUABZ-PZROIBLQSA-N -1 3 358.421 2.667 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588494267 1080059222 /nfs/dbraw/zinc/05/92/22/1080059222.db2.gz QNEZAZDNUKLTHQ-IQUTYRLHSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588494267 1080059234 /nfs/dbraw/zinc/05/92/34/1080059234.db2.gz QNEZAZDNUKLTHQ-IQUTYRLHSA-N -1 3 369.473 2.561 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588519319 1080070839 /nfs/dbraw/zinc/07/08/39/1080070839.db2.gz XKYNSJKNLUDOCC-AWEZNQCLSA-N -1 3 371.489 2.761 20 30 FFEDHM C=C[C@@H](CC)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588519319 1080070844 /nfs/dbraw/zinc/07/08/44/1080070844.db2.gz XKYNSJKNLUDOCC-AWEZNQCLSA-N -1 3 371.489 2.761 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588520955 1080072549 /nfs/dbraw/zinc/07/25/49/1080072549.db2.gz HDMGTLYTFXBNCM-KBPBESRZSA-N -1 3 374.464 2.545 20 30 FFEDHM C=C[C@@H](CC)CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588520955 1080072554 /nfs/dbraw/zinc/07/25/54/1080072554.db2.gz HDMGTLYTFXBNCM-KBPBESRZSA-N -1 3 374.464 2.545 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588532125 1080081763 /nfs/dbraw/zinc/08/17/63/1080081763.db2.gz NMFUPTVOKGWUPF-UHFFFAOYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588532125 1080081767 /nfs/dbraw/zinc/08/17/67/1080081767.db2.gz NMFUPTVOKGWUPF-UHFFFAOYSA-N -1 3 369.473 2.575 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(CCC)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588538657 1080085799 /nfs/dbraw/zinc/08/57/99/1080085799.db2.gz UVSJPAIVMLTLNY-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CCC(C)(C)C(=O)NCCN(CCC)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588538657 1080085808 /nfs/dbraw/zinc/08/58/08/1080085808.db2.gz UVSJPAIVMLTLNY-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CCC1(C(=O)N(C)CCCNc2ccc(-c3nnn[n-]3)c(C)n2)CCC1 ZINC001588549137 1080089910 /nfs/dbraw/zinc/08/99/10/1080089910.db2.gz JVOLQUQCKTVDJO-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCC1(C(=O)N(C)CCCNc2ccc(-c3nn[n-]n3)c(C)n2)CCC1 ZINC001588549137 1080089913 /nfs/dbraw/zinc/08/99/13/1080089913.db2.gz JVOLQUQCKTVDJO-UHFFFAOYSA-N -1 3 369.473 2.577 20 30 FFEDHM C=CCC1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC001588552167 1080091164 /nfs/dbraw/zinc/09/11/64/1080091164.db2.gz QUKIOUGNJTUNDJ-UHFFFAOYSA-N -1 3 366.469 2.652 20 30 FFEDHM C=CCC1(C(=O)N2CCO[C@H](c3ccc(-c4nnn[n-]4)cc3)C2)CCC1 ZINC001588552221 1080092282 /nfs/dbraw/zinc/09/22/82/1080092282.db2.gz SKBHNIIOQHSXIM-INIZCTEOSA-N -1 3 353.426 2.513 20 30 FFEDHM C=CCC1(C(=O)N2CCO[C@H](c3ccc(-c4nn[n-]n4)cc3)C2)CCC1 ZINC001588552221 1080092287 /nfs/dbraw/zinc/09/22/87/1080092287.db2.gz SKBHNIIOQHSXIM-INIZCTEOSA-N -1 3 353.426 2.513 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588558704 1080097097 /nfs/dbraw/zinc/09/70/97/1080097097.db2.gz BTMWWTCVMCTBJS-HIFRSBDPSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588558704 1080097105 /nfs/dbraw/zinc/09/71/05/1080097105.db2.gz BTMWWTCVMCTBJS-HIFRSBDPSA-N -1 3 361.471 2.588 20 30 FFEDHM C=CCCC(=O)N(CCC)[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588563154 1080098147 /nfs/dbraw/zinc/09/81/47/1080098147.db2.gz XTAZMOZAIGTAJQ-AWEZNQCLSA-N -1 3 372.448 2.789 20 30 FFEDHM C=CCCC(=O)N(CCC)[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588563154 1080098157 /nfs/dbraw/zinc/09/81/57/1080098157.db2.gz XTAZMOZAIGTAJQ-AWEZNQCLSA-N -1 3 372.448 2.789 20 30 FFEDHM C=CCCC(=O)N(C)CC[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001588563074 1080099229 /nfs/dbraw/zinc/09/92/29/1080099229.db2.gz WSTXNVSWXKDDRX-OAHLLOKOSA-N -1 3 357.462 2.513 20 30 FFEDHM C=CCCC(=O)N(C)CC[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001588563074 1080099237 /nfs/dbraw/zinc/09/92/37/1080099237.db2.gz WSTXNVSWXKDDRX-OAHLLOKOSA-N -1 3 357.462 2.513 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588588713 1080112085 /nfs/dbraw/zinc/11/20/85/1080112085.db2.gz XNEXZKVBENWFTE-GDBMZVCRSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588588713 1080112088 /nfs/dbraw/zinc/11/20/88/1080112088.db2.gz XNEXZKVBENWFTE-GDBMZVCRSA-N -1 3 369.473 2.800 20 30 FFEDHM C=CCCCCCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588593615 1080115562 /nfs/dbraw/zinc/11/55/62/1080115562.db2.gz FMRFKOUCSYBREC-QGZVFWFLSA-N -1 3 352.442 2.802 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588610380 1080121346 /nfs/dbraw/zinc/12/13/46/1080121346.db2.gz CTRGLPUSSYBFNB-LBPRGKRZSA-N -1 3 359.430 2.964 20 30 FFEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588610380 1080121348 /nfs/dbraw/zinc/12/13/48/1080121348.db2.gz CTRGLPUSSYBFNB-LBPRGKRZSA-N -1 3 359.430 2.964 20 30 FFEDHM C=CCCn1cc(COc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)nn1 ZINC001588625375 1080125831 /nfs/dbraw/zinc/12/58/31/1080125831.db2.gz HHARCMLZGWOGDP-UHFFFAOYSA-N -1 3 365.319 2.632 20 30 FFEDHM C=CCCn1cc(COc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)nn1 ZINC001588625375 1080125836 /nfs/dbraw/zinc/12/58/36/1080125836.db2.gz HHARCMLZGWOGDP-UHFFFAOYSA-N -1 3 365.319 2.632 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C/C=C/CC ZINC001588626533 1080127348 /nfs/dbraw/zinc/12/73/48/1080127348.db2.gz JDCBFUCGJQPIOM-VOTSOKGWSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C/C=C/CC ZINC001588626533 1080127351 /nfs/dbraw/zinc/12/73/51/1080127351.db2.gz JDCBFUCGJQPIOM-VOTSOKGWSA-N -1 3 350.430 2.714 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)OCCC(C)C ZINC001588639576 1080131930 /nfs/dbraw/zinc/13/19/30/1080131930.db2.gz ULVSDCVSRAWLNI-HNNXBMFYSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)OCCC(C)C ZINC001588639576 1080131935 /nfs/dbraw/zinc/13/19/35/1080131935.db2.gz ULVSDCVSRAWLNI-HNNXBMFYSA-N -1 3 357.458 2.833 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC001588640643 1080133377 /nfs/dbraw/zinc/13/33/77/1080133377.db2.gz WFRRZGXGFBRMRM-QGZVFWFLSA-N -1 3 367.453 2.873 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC001588640643 1080133384 /nfs/dbraw/zinc/13/33/84/1080133384.db2.gz WFRRZGXGFBRMRM-QGZVFWFLSA-N -1 3 367.453 2.873 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001588640640 1080133625 /nfs/dbraw/zinc/13/36/25/1080133625.db2.gz WFRRZGXGFBRMRM-KRWDZBQOSA-N -1 3 367.453 2.873 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001588640640 1080133630 /nfs/dbraw/zinc/13/36/30/1080133630.db2.gz WFRRZGXGFBRMRM-KRWDZBQOSA-N -1 3 367.453 2.873 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC001588641531 1080134813 /nfs/dbraw/zinc/13/48/13/1080134813.db2.gz GYYKNGTYBGBZGF-APWZRJJASA-N -1 3 352.442 2.755 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC001588641531 1080134818 /nfs/dbraw/zinc/13/48/18/1080134818.db2.gz GYYKNGTYBGBZGF-APWZRJJASA-N -1 3 352.442 2.755 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2c(c1)CCN2C ZINC001588647640 1080136699 /nfs/dbraw/zinc/13/66/99/1080136699.db2.gz APXRIZCVIMGTPS-UHFFFAOYSA-N -1 3 374.448 2.687 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(c1)CCN2C ZINC001588647640 1080136705 /nfs/dbraw/zinc/13/67/05/1080136705.db2.gz APXRIZCVIMGTPS-UHFFFAOYSA-N -1 3 374.448 2.687 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588653727 1080143626 /nfs/dbraw/zinc/14/36/26/1080143626.db2.gz WECYWTKFGNCRIF-UHFFFAOYSA-N -1 3 355.423 2.522 20 30 FFEDHM C=CCN(Cc1cccs1)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588653727 1080143632 /nfs/dbraw/zinc/14/36/32/1080143632.db2.gz WECYWTKFGNCRIF-UHFFFAOYSA-N -1 3 355.423 2.522 20 30 FFEDHM C=CCO[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588666101 1080146293 /nfs/dbraw/zinc/14/62/93/1080146293.db2.gz ZXBMGZZGIOTWRT-SNVBAGLBSA-N -1 3 368.224 2.591 20 30 FFEDHM C=CCO[C@@H]1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588666101 1080146297 /nfs/dbraw/zinc/14/62/97/1080146297.db2.gz ZXBMGZZGIOTWRT-SNVBAGLBSA-N -1 3 368.224 2.591 20 30 FFEDHM C=CCOc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC001588690152 1080156011 /nfs/dbraw/zinc/15/60/11/1080156011.db2.gz UZEBIAMXEBYVAY-UHFFFAOYSA-N -1 3 366.377 2.588 20 30 FFEDHM C=CCOc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC001588690152 1080156015 /nfs/dbraw/zinc/15/60/15/1080156015.db2.gz UZEBIAMXEBYVAY-UHFFFAOYSA-N -1 3 366.377 2.588 20 30 FFEDHM C=C[C@H](N[C@@H](C)c1ccc(Br)cc1OCCCO)C(=O)[O-] ZINC001588692445 1080158483 /nfs/dbraw/zinc/15/84/83/1080158483.db2.gz BTUBPTUJBCXDDH-GWCFXTLKSA-N -1 3 358.232 2.500 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCC(C)(F)CC1 ZINC001588695091 1080159680 /nfs/dbraw/zinc/15/96/80/1080159680.db2.gz CGLJBOMRPUFELK-UHFFFAOYSA-N -1 3 368.420 2.640 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCC(C)(F)CC1 ZINC001588695091 1080159684 /nfs/dbraw/zinc/15/96/84/1080159684.db2.gz CGLJBOMRPUFELK-UHFFFAOYSA-N -1 3 368.420 2.640 20 30 FFEDHM C=CCn1c(CC(C)(C)C)nnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588703310 1080161902 /nfs/dbraw/zinc/16/19/02/1080161902.db2.gz MZNGISGWESRQFK-UHFFFAOYSA-N -1 3 364.457 2.753 20 30 FFEDHM C=CCn1c(CC(C)(C)C)nnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588703310 1080161911 /nfs/dbraw/zinc/16/19/11/1080161911.db2.gz MZNGISGWESRQFK-UHFFFAOYSA-N -1 3 364.457 2.753 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC001588726326 1080171313 /nfs/dbraw/zinc/17/13/13/1080171313.db2.gz YWSCZXDVDYSRTO-UMNHJUIQSA-N -1 3 359.455 2.583 20 30 FFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001588726326 1080171316 /nfs/dbraw/zinc/17/13/16/1080171316.db2.gz YWSCZXDVDYSRTO-UMNHJUIQSA-N -1 3 359.455 2.583 20 30 FFEDHM CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589059107 1080331486 /nfs/dbraw/zinc/33/14/86/1080331486.db2.gz NBOSWLJWKVQFDL-XHDPSFHLSA-N -1 3 357.389 2.909 20 30 FFEDHM CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589059107 1080331490 /nfs/dbraw/zinc/33/14/90/1080331490.db2.gz NBOSWLJWKVQFDL-XHDPSFHLSA-N -1 3 357.389 2.909 20 30 FFEDHM CC(C)c1cccc(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001589771590 1080727503 /nfs/dbraw/zinc/72/75/03/1080727503.db2.gz WTWSFJOYGLAHHO-IBGZPJMESA-N -1 3 374.448 2.989 20 30 FFEDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589802641 1080759632 /nfs/dbraw/zinc/75/96/32/1080759632.db2.gz HSYCQOCRNNDFKK-BZNIZROVSA-N -1 3 352.373 2.802 20 30 FFEDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589802641 1080759637 /nfs/dbraw/zinc/75/96/37/1080759637.db2.gz HSYCQOCRNNDFKK-BZNIZROVSA-N -1 3 352.373 2.802 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC001589896384 1080843408 /nfs/dbraw/zinc/84/34/08/1080843408.db2.gz XPLYQAOFDFPNNE-KBPBESRZSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC001589896384 1080843416 /nfs/dbraw/zinc/84/34/16/1080843416.db2.gz XPLYQAOFDFPNNE-KBPBESRZSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589915120 1080857936 /nfs/dbraw/zinc/85/79/36/1080857936.db2.gz FLDPJJAATKDSJY-KSSFIOAISA-N -1 3 360.421 2.816 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccc(C#N)cc1 ZINC001589931241 1080872206 /nfs/dbraw/zinc/87/22/06/1080872206.db2.gz JMUITASLGCVTJF-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccc(C#N)cc1 ZINC001589931241 1080872210 /nfs/dbraw/zinc/87/22/10/1080872210.db2.gz JMUITASLGCVTJF-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccc(C#N)cc1 ZINC001589931450 1080874511 /nfs/dbraw/zinc/87/45/11/1080874511.db2.gz LZPRDMCSRMDERY-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@@H](NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccc(C#N)cc1 ZINC001589931450 1080874516 /nfs/dbraw/zinc/87/45/16/1080874516.db2.gz LZPRDMCSRMDERY-GFCCVEGCSA-N -1 3 359.393 2.525 20 30 FFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)cc1F ZINC001590041973 1080967428 /nfs/dbraw/zinc/96/74/28/1080967428.db2.gz GZTALNLNVCJVFD-LLVKDONJSA-N -1 3 350.357 2.711 20 30 FFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)cc1F ZINC001590041973 1080967435 /nfs/dbraw/zinc/96/74/35/1080967435.db2.gz GZTALNLNVCJVFD-LLVKDONJSA-N -1 3 350.357 2.711 20 30 FFEDHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)on1 ZINC000104713388 250184544 /nfs/dbraw/zinc/18/45/44/250184544.db2.gz RPSXOLRDWUGZMB-AWEZNQCLSA-N -1 3 354.410 2.725 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccn1C ZINC000267690115 251352674 /nfs/dbraw/zinc/35/26/74/251352674.db2.gz AGXSCBKYUCIBHB-GOSISDBHSA-N -1 3 352.438 2.911 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1OCCc2ccccc21 ZINC000370897093 512122511 /nfs/dbraw/zinc/12/25/11/512122511.db2.gz FJETYUWFGBGFST-LJQANCHMSA-N -1 3 365.433 2.639 20 30 FFEDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1C#N ZINC000277142893 256165032 /nfs/dbraw/zinc/16/50/32/256165032.db2.gz CFJWXEVLZOLZSE-INIZCTEOSA-N -1 3 370.405 2.890 20 30 FFEDHM COc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1[O-] ZINC000276928834 256143755 /nfs/dbraw/zinc/14/37/55/256143755.db2.gz NUKIBPYVWIHYDO-UHFFFAOYSA-N -1 3 352.390 2.956 20 30 FFEDHM CSC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000278867726 256356054 /nfs/dbraw/zinc/35/60/54/256356054.db2.gz YHULKAAAEBLPJN-UHFFFAOYSA-N -1 3 350.387 2.751 20 30 FFEDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000289296675 257272567 /nfs/dbraw/zinc/27/25/67/257272567.db2.gz HRRSIUSCABXXID-JTQLQIEISA-N -1 3 362.407 2.594 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)OCCc2sccc21 ZINC000290062718 257313580 /nfs/dbraw/zinc/31/35/80/257313580.db2.gz FFOBGJUEWGYINJ-KRWDZBQOSA-N -1 3 362.476 2.527 20 30 FFEDHM N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000301396397 258047263 /nfs/dbraw/zinc/04/72/63/258047263.db2.gz GENGWXMQYWOBPQ-UHFFFAOYSA-N -1 3 358.401 2.774 20 30 FFEDHM COC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCC(C)CC1 ZINC000331058661 258176425 /nfs/dbraw/zinc/17/64/25/258176425.db2.gz RNPMKBXWJDYURH-UHFFFAOYSA-N -1 3 359.470 2.920 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1cnn(C)c1 ZINC000328861871 258122692 /nfs/dbraw/zinc/12/26/92/258122692.db2.gz ASVGSFOYWTWWCF-GOSISDBHSA-N -1 3 367.453 2.696 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)c1 ZINC000333149936 258252508 /nfs/dbraw/zinc/25/25/08/258252508.db2.gz LPIKTOBCUFFPOW-CQSZACIVSA-N -1 3 353.875 2.507 20 30 FFEDHM Cc1ccc(-c2nnc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)[n-]2)o1 ZINC000409822703 512149750 /nfs/dbraw/zinc/14/97/50/512149750.db2.gz IKIRPZPCQBHQNQ-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)n2)o1 ZINC000409822703 512149755 /nfs/dbraw/zinc/14/97/55/512149755.db2.gz IKIRPZPCQBHQNQ-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM Cc1ccc(-c2nc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)n[n-]2)o1 ZINC000409822703 512149761 /nfs/dbraw/zinc/14/97/61/512149761.db2.gz IKIRPZPCQBHQNQ-UHFFFAOYSA-N -1 3 359.349 2.683 20 30 FFEDHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053527839 506398979 /nfs/dbraw/zinc/39/89/79/506398979.db2.gz NDNWGJCGOCUOHB-UHFFFAOYSA-N -1 3 371.422 2.685 20 30 FFEDHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053527839 506398987 /nfs/dbraw/zinc/39/89/87/506398987.db2.gz NDNWGJCGOCUOHB-UHFFFAOYSA-N -1 3 371.422 2.685 20 30 FFEDHM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053527839 506398991 /nfs/dbraw/zinc/39/89/91/506398991.db2.gz NDNWGJCGOCUOHB-UHFFFAOYSA-N -1 3 371.422 2.685 20 30 FFEDHM CS(=O)(=O)Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000041497003 506525170 /nfs/dbraw/zinc/52/51/70/506525170.db2.gz VALFJEGLVQCDIK-AWEZNQCLSA-N -1 3 353.403 2.598 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccn1)C(C)C ZINC000055738122 506837911 /nfs/dbraw/zinc/83/79/11/506837911.db2.gz BIPBDETZIUQSHE-UHFFFAOYSA-N -1 3 352.438 2.628 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CCc1ccccc1 ZINC000017156097 507117394 /nfs/dbraw/zinc/11/73/94/507117394.db2.gz YJNQEEUUMQWHGE-CQSZACIVSA-N -1 3 351.450 2.934 20 30 FFEDHM CCOc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1OC ZINC000046514938 507147892 /nfs/dbraw/zinc/14/78/92/507147892.db2.gz OCDBODCDUPXTIH-UHFFFAOYSA-N -1 3 369.421 2.842 20 30 FFEDHM CCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000068241714 507160006 /nfs/dbraw/zinc/16/00/06/507160006.db2.gz NNAPKZYYJVRLIN-UHFFFAOYSA-N -1 3 361.398 2.612 20 30 FFEDHM Cc1nc(C)c(CC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000068455303 507238731 /nfs/dbraw/zinc/23/87/31/507238731.db2.gz VHDAEVPGCOCBTE-CQSZACIVSA-N -1 3 365.220 2.617 20 30 FFEDHM C=CCNC(=O)[C@@H](C)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000023270635 507342695 /nfs/dbraw/zinc/34/26/95/507342695.db2.gz RRQXNFQUSHKQOA-SNVBAGLBSA-N -1 3 352.847 2.820 20 30 FFEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1F ZINC000064102177 507784807 /nfs/dbraw/zinc/78/48/07/507784807.db2.gz AGEKDKCCOBGVLH-CYBMUJFWSA-N -1 3 355.373 2.592 20 30 FFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C#N)c2)cc1 ZINC000078780474 507906668 /nfs/dbraw/zinc/90/66/68/507906668.db2.gz VRUMCCHKGRKFBT-AWEZNQCLSA-N -1 3 371.462 2.994 20 30 FFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000078868650 507913321 /nfs/dbraw/zinc/91/33/21/507913321.db2.gz WLOGWMYTDXIGQT-JTQLQIEISA-N -1 3 355.329 2.845 20 30 FFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000078868650 507913325 /nfs/dbraw/zinc/91/33/25/507913325.db2.gz WLOGWMYTDXIGQT-JTQLQIEISA-N -1 3 355.329 2.845 20 30 FFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000078868650 507913327 /nfs/dbraw/zinc/91/33/27/507913327.db2.gz WLOGWMYTDXIGQT-JTQLQIEISA-N -1 3 355.329 2.845 20 30 FFEDHM COc1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1[O-] ZINC000109701484 507981932 /nfs/dbraw/zinc/98/19/32/507981932.db2.gz RJFRLKACDBSZPC-AWEZNQCLSA-N -1 3 369.396 2.810 20 30 FFEDHM C[C@@H](c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)N1CCOCC1 ZINC000111994895 508142669 /nfs/dbraw/zinc/14/26/69/508142669.db2.gz KVZQORBILFYFIS-HNNXBMFYSA-N -1 3 371.462 2.752 20 30 FFEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000103443697 508312009 /nfs/dbraw/zinc/31/20/09/508312009.db2.gz AYBNXVVTAMGOPU-LLVKDONJSA-N -1 3 371.890 2.791 20 30 FFEDHM Cc1cc(F)ccc1CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000087406722 508351418 /nfs/dbraw/zinc/35/14/18/508351418.db2.gz WBXQWDHNQKJXCI-UHFFFAOYSA-N -1 3 355.413 2.602 20 30 FFEDHM C=CCc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000127463755 508454221 /nfs/dbraw/zinc/45/42/21/508454221.db2.gz PTDGTBHATSCJGD-UHFFFAOYSA-N -1 3 365.393 2.621 20 30 FFEDHM C=CCc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000127463755 508454224 /nfs/dbraw/zinc/45/42/24/508454224.db2.gz PTDGTBHATSCJGD-UHFFFAOYSA-N -1 3 365.393 2.621 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000127564088 508469051 /nfs/dbraw/zinc/46/90/51/508469051.db2.gz ALHHVSKWBKLZLA-GFCCVEGCSA-N -1 3 354.859 2.982 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000156996279 508507732 /nfs/dbraw/zinc/50/77/32/508507732.db2.gz DSFLNWXNLWXPMM-CQSZACIVSA-N -1 3 373.390 2.659 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000128251505 508568578 /nfs/dbraw/zinc/56/85/78/508568578.db2.gz BMRARWJDJNHLCE-LLVKDONJSA-N -1 3 372.381 2.787 20 30 FFEDHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1ccccc1C#N ZINC000117115363 508580180 /nfs/dbraw/zinc/58/01/80/508580180.db2.gz CEQIZKROPBPRJB-NSHDSACASA-N -1 3 350.407 2.858 20 30 FFEDHM C=CCNC(=O)Nc1ccc(NC(=O)[N-]c2nnc3ccccn32)cc1 ZINC000118020633 508626642 /nfs/dbraw/zinc/62/66/42/508626642.db2.gz INWGWMGZKSZGEX-UHFFFAOYSA-N -1 3 351.370 2.681 20 30 FFEDHM COCCS(=O)(=O)[N-]c1cccc(COc2ccc(CC#N)cc2)c1 ZINC000154338091 508763842 /nfs/dbraw/zinc/76/38/42/508763842.db2.gz OABMQABJNZEZPF-UHFFFAOYSA-N -1 3 360.435 2.720 20 30 FFEDHM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc(C#N)nc2)c2ccccn2)c1 ZINC000129809813 508769107 /nfs/dbraw/zinc/76/91/07/508769107.db2.gz NMNWHHQUFXVNMD-IBGZPJMESA-N -1 3 364.430 2.725 20 30 FFEDHM CCc1c(C)sc([N-]C(=O)c2coc(S(=O)(=O)N(C)C)c2)c1C#N ZINC000120376544 508983804 /nfs/dbraw/zinc/98/38/04/508983804.db2.gz SJNZAHGKMOYFCR-UHFFFAOYSA-N -1 3 367.452 2.586 20 30 FFEDHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000125697002 509018067 /nfs/dbraw/zinc/01/80/67/509018067.db2.gz BFWOBWMCGQMYGM-IBILFNBTSA-N -1 3 374.915 2.570 20 30 FFEDHM Cc1c(C(=O)[N-]c2sccc2C#N)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000120733937 509054622 /nfs/dbraw/zinc/05/46/22/509054622.db2.gz ZDORBDHYLDKTHO-UHFFFAOYSA-N -1 3 354.351 2.669 20 30 FFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)F ZINC000156311501 509158591 /nfs/dbraw/zinc/15/85/91/509158591.db2.gz SKGKWMKLHPQCOF-UHFFFAOYSA-N -1 3 356.325 2.777 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000188989176 509357785 /nfs/dbraw/zinc/35/77/85/509357785.db2.gz AFLMQTKRYXGQKK-KRWDZBQOSA-N -1 3 369.396 2.575 20 30 FFEDHM C=C[C@H](CC(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000179357767 509397200 /nfs/dbraw/zinc/39/72/00/509397200.db2.gz KMSJBXYPUUOUSN-MRXNPFEDSA-N -1 3 352.434 2.988 20 30 FFEDHM CCOC(=O)[C@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)CCCC#N ZINC000185985558 509465238 /nfs/dbraw/zinc/46/52/38/509465238.db2.gz GIUSKBIHXLMQPP-SFHVURJKSA-N -1 3 374.462 2.537 20 30 FFEDHM C[C@@H](CN1CCC[C@H](C)C1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000249122894 509613237 /nfs/dbraw/zinc/61/32/37/509613237.db2.gz TVRVBVILAKNSAE-STQMWFEESA-N -1 3 355.891 2.610 20 30 FFEDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000249122891 509614080 /nfs/dbraw/zinc/61/40/80/509614080.db2.gz TVRVBVILAKNSAE-OLZOCXBDSA-N -1 3 355.891 2.610 20 30 FFEDHM C[C@@]1(c2cccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)c2)NC(=O)[N-]C1=O ZINC000183175586 509642225 /nfs/dbraw/zinc/64/22/25/509642225.db2.gz JCUHSEODWWBHAM-FQEVSTJZSA-N -1 3 374.400 2.549 20 30 FFEDHM CCCNc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000193003089 509732434 /nfs/dbraw/zinc/73/24/34/509732434.db2.gz FGRNIOZJUOOGCS-UHFFFAOYSA-N -1 3 366.465 2.934 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2n2cccn2)c(Cl)c1 ZINC000180070821 509737624 /nfs/dbraw/zinc/73/76/24/509737624.db2.gz OOVTVBGOYLBCJJ-CABCVRRESA-N -1 3 364.858 2.870 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOCc2ccccc2)c(Cl)c1 ZINC000180077639 509740329 /nfs/dbraw/zinc/74/03/29/509740329.db2.gz FQOQRVBRCQBBRU-UHFFFAOYSA-N -1 3 350.827 2.707 20 30 FFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000183364403 509741007 /nfs/dbraw/zinc/74/10/07/509741007.db2.gz GVXVMLPFIFCPRE-UHFFFAOYSA-N -1 3 350.827 2.741 20 30 FFEDHM C[C@@H](CC#N)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183515701 509837249 /nfs/dbraw/zinc/83/72/49/509837249.db2.gz SDLHVCUCLYYLKQ-KSSFIOAISA-N -1 3 351.406 2.672 20 30 FFEDHM C=CCC[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000186821347 509905820 /nfs/dbraw/zinc/90/58/20/509905820.db2.gz HPPYWLMMZOBQSH-LJQANCHMSA-N -1 3 352.434 2.988 20 30 FFEDHM CC[C@@H](CC#N)NC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000183852798 510006549 /nfs/dbraw/zinc/00/65/49/510006549.db2.gz GEDUESFIHXZXSR-ZWNMCFTASA-N -1 3 353.216 2.985 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190249064 510025363 /nfs/dbraw/zinc/02/53/63/510025363.db2.gz NKRRXRIJLGMDNK-GOSISDBHSA-N -1 3 365.433 2.695 20 30 FFEDHM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000194177779 510250436 /nfs/dbraw/zinc/25/04/36/510250436.db2.gz UDSZMPVXPBFIHV-FQEVSTJZSA-N -1 3 372.428 2.551 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1[O-] ZINC000265884049 510281728 /nfs/dbraw/zinc/28/17/28/510281728.db2.gz CUJVUUDTTKZYIU-YJCKXXIQSA-N -1 3 373.840 2.856 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181390640 510387340 /nfs/dbraw/zinc/38/73/40/510387340.db2.gz GLCRYTBMQJMDKQ-LLVKDONJSA-N -1 3 364.317 2.700 20 30 FFEDHM N#CC(=C([O-])c1ccnc(OC2CCC2)c1)c1nnc2n1CCCCC2 ZINC000181431909 510405699 /nfs/dbraw/zinc/40/56/99/510405699.db2.gz YKNOLHOHAAJAAL-HNNXBMFYSA-N -1 3 351.410 2.821 20 30 FFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000191092529 510501588 /nfs/dbraw/zinc/50/15/88/510501588.db2.gz NZSHCUFQXVONCF-BONVTDFDSA-N -1 3 356.469 2.594 20 30 FFEDHM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1-n1cnnn1 ZINC000181696126 510544240 /nfs/dbraw/zinc/54/42/40/510544240.db2.gz LSBQVYTVJDOSFC-GFCCVEGCSA-N -1 3 368.422 2.741 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCCN2 ZINC000178409004 510588032 /nfs/dbraw/zinc/58/80/32/510588032.db2.gz KHLIHIDICSWGGH-UHFFFAOYSA-N -1 3 350.422 2.793 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000178517597 510642065 /nfs/dbraw/zinc/64/20/65/510642065.db2.gz NYFSLVIRQAYFMD-UHFFFAOYSA-N -1 3 351.771 2.598 20 30 FFEDHM CN(C)c1nc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc(=O)[n-]1 ZINC000330307759 510961306 /nfs/dbraw/zinc/96/13/06/510961306.db2.gz SJYHFNHHVNEHPT-UHFFFAOYSA-N -1 3 366.425 2.961 20 30 FFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000330404375 510978194 /nfs/dbraw/zinc/97/81/94/510978194.db2.gz MMUIVOSDYVYYHT-JTQLQIEISA-N -1 3 351.653 2.929 20 30 FFEDHM C=CCC[C@H](C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O)c1ccccc1 ZINC000286329447 511022049 /nfs/dbraw/zinc/02/20/49/511022049.db2.gz VEFVPUUWJMTFNE-LLGFUMIMSA-N -1 3 369.465 2.716 20 30 FFEDHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000330990589 511035342 /nfs/dbraw/zinc/03/53/42/511035342.db2.gz SFPUUZRQBVSAPH-ZCFIWIBFSA-N -1 3 359.274 2.900 20 30 FFEDHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000330990589 511035346 /nfs/dbraw/zinc/03/53/46/511035346.db2.gz SFPUUZRQBVSAPH-ZCFIWIBFSA-N -1 3 359.274 2.900 20 30 FFEDHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000330990589 511035350 /nfs/dbraw/zinc/03/53/50/511035350.db2.gz SFPUUZRQBVSAPH-ZCFIWIBFSA-N -1 3 359.274 2.900 20 30 FFEDHM COc1cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc(Cl)c1[O-] ZINC000331285286 511057891 /nfs/dbraw/zinc/05/78/91/511057891.db2.gz SVRAZMIXPYGOBF-UHFFFAOYSA-N -1 3 369.893 2.775 20 30 FFEDHM CC#CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000294568331 511106972 /nfs/dbraw/zinc/10/69/72/511106972.db2.gz NYGNKJKAMYZGBK-UHFFFAOYSA-N -1 3 356.875 2.512 20 30 FFEDHM COc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc(C)n1 ZINC000283457237 511373705 /nfs/dbraw/zinc/37/37/05/511373705.db2.gz RLXPIQHFLMLNGY-UHFFFAOYSA-N -1 3 365.393 2.823 20 30 FFEDHM COCc1ncc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000292172999 511493162 /nfs/dbraw/zinc/49/31/62/511493162.db2.gz IHRWBFMETTUVSZ-UHFFFAOYSA-N -1 3 361.423 2.555 20 30 FFEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000272798145 511507781 /nfs/dbraw/zinc/50/77/81/511507781.db2.gz XYGPJXVNPXSETH-KXBFYZLASA-N -1 3 374.441 2.651 20 30 FFEDHM COc1cccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2cccc([O-])c2)c1 ZINC000292307683 511546894 /nfs/dbraw/zinc/54/68/94/511546894.db2.gz LAKZZIBDXXZSBE-UHFFFAOYSA-O -1 3 357.455 2.769 20 30 FFEDHM COCCOC(=O)Nc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000299202538 511550126 /nfs/dbraw/zinc/55/01/26/511550126.db2.gz AGRBHSUJWBRUMU-KEBDBYFISA-N -1 3 359.382 2.533 20 30 FFEDHM C[C@]1(c2ccc(-c3noc(C4(C#N)CCCCC4)n3)cc2)NC(=O)[N-]C1=O ZINC000273744660 511593626 /nfs/dbraw/zinc/59/36/26/511593626.db2.gz PAZBLEPFICYENW-GOSISDBHSA-N -1 3 365.393 2.517 20 30 FFEDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000292848471 511744058 /nfs/dbraw/zinc/74/40/58/511744058.db2.gz QDTOZNLKBWNVGU-UHFFFAOYSA-N -1 3 373.356 2.914 20 30 FFEDHM Cc1cccc(OCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000321575447 511820381 /nfs/dbraw/zinc/82/03/81/511820381.db2.gz ZTOKCQOGQDLGOD-UHFFFAOYSA-N -1 3 350.827 2.877 20 30 FFEDHM CCc1noc(C)c1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000351027273 511932713 /nfs/dbraw/zinc/93/27/13/511932713.db2.gz URKGMSYDWHJYTA-UHFFFAOYSA-N -1 3 353.382 2.970 20 30 FFEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)s1 ZINC000329204754 512005510 /nfs/dbraw/zinc/00/55/10/512005510.db2.gz DDCYJZZNIZXFBH-GFCCVEGCSA-N -1 3 367.452 2.862 20 30 FFEDHM C[C@]1(C[C@H]2CCCN2C(=O)NCC2CCSCC2)NC(=O)[N-]C1=O ZINC000329296689 512022917 /nfs/dbraw/zinc/02/29/17/512022917.db2.gz SZZZWGVQDSQMEX-MLGOLLRUSA-N -1 3 354.476 2.541 20 30 FFEDHM CC(C)(C)c1nc(=NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)s[n-]1 ZINC000329346856 512030289 /nfs/dbraw/zinc/03/02/89/512030289.db2.gz VIXCDNPFRURKHN-AWEZNQCLSA-N -1 3 359.499 2.858 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccccn2)CCC1 ZINC000375939917 512579999 /nfs/dbraw/zinc/57/99/99/512579999.db2.gz DCRRRPCUTVYFGH-UHFFFAOYSA-N -1 3 364.449 2.841 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000369759663 512594379 /nfs/dbraw/zinc/59/43/79/512594379.db2.gz IXAOEVHECVJAFR-LJQANCHMSA-N -1 3 364.449 2.511 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CC23CCOCC3)s1 ZINC000368239749 512860374 /nfs/dbraw/zinc/86/03/74/512860374.db2.gz HGMUDBGAJOJSJZ-KRWDZBQOSA-N -1 3 374.487 2.992 20 30 FFEDHM CCC(CC)(CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC000424415275 513135331 /nfs/dbraw/zinc/13/53/31/513135331.db2.gz RYPDBRQWGFDLAS-UHFFFAOYSA-N -1 3 374.485 2.522 20 30 FFEDHM C[C@@H](CN1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000440073112 513240810 /nfs/dbraw/zinc/24/08/10/513240810.db2.gz DSRLYJNXUUKTNB-OLZOCXBDSA-N -1 3 355.891 2.610 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000425335261 513517566 /nfs/dbraw/zinc/51/75/66/513517566.db2.gz ZLIOCUICSKDDNU-VQIMIIECSA-N -1 3 365.433 2.543 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000435430660 513583000 /nfs/dbraw/zinc/58/30/00/513583000.db2.gz DMVFDHSMRUUZLV-UHFFFAOYSA-N -1 3 370.839 2.523 20 30 FFEDHM C[C@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432275 513584662 /nfs/dbraw/zinc/58/46/62/513584662.db2.gz ICVFQRKABVILQL-LLVKDONJSA-N -1 3 364.448 2.648 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOc2cccc3cccnc32)s1 ZINC000435441182 513590145 /nfs/dbraw/zinc/59/01/45/513590145.db2.gz ARIPREFMCZCOLD-UHFFFAOYSA-N -1 3 373.459 2.915 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)c(F)c1 ZINC000435444205 513591750 /nfs/dbraw/zinc/59/17/50/513591750.db2.gz VMTWKLFZRFDMOU-CYBMUJFWSA-N -1 3 358.391 2.564 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)nc2n1CCS2 ZINC000448347981 513739633 /nfs/dbraw/zinc/73/96/33/513739633.db2.gz FTQRNVNJLFIKLK-UHFFFAOYSA-N -1 3 362.374 2.639 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000416444661 513774222 /nfs/dbraw/zinc/77/42/22/513774222.db2.gz JAYMQEWVVSEYSQ-GFCCVEGCSA-N -1 3 373.272 2.557 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCCCO1 ZINC000416456414 513780637 /nfs/dbraw/zinc/78/06/37/513780637.db2.gz MAWZEXDOBGCOQV-ZWNOBZJWSA-N -1 3 373.272 2.557 20 30 FFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416486127 513797704 /nfs/dbraw/zinc/79/77/04/513797704.db2.gz HVCNXINZHLTGLI-UHFFFAOYSA-N -1 3 370.272 2.929 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000443017876 513844182 /nfs/dbraw/zinc/84/41/82/513844182.db2.gz BRLRSIYZIWRUQZ-UHFFFAOYSA-N -1 3 354.790 2.708 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000443032794 513847991 /nfs/dbraw/zinc/84/79/91/513847991.db2.gz CQYZLDGBXOIZNO-UHFFFAOYSA-N -1 3 369.761 2.737 20 30 FFEDHM CC(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1[O-] ZINC000436565041 513899159 /nfs/dbraw/zinc/89/91/59/513899159.db2.gz LVTKJJZKICWPLT-UHFFFAOYSA-N -1 3 367.380 2.568 20 30 FFEDHM COc1cc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1C#N ZINC000436568970 513900709 /nfs/dbraw/zinc/90/07/09/513900709.db2.gz YFFQKOJPCLPNOB-UHFFFAOYSA-N -1 3 352.390 2.916 20 30 FFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C12CCCC2 ZINC000443334342 513938776 /nfs/dbraw/zinc/93/87/76/513938776.db2.gz LXFDQLYETIRKOV-HZPDHXFCSA-N -1 3 352.431 2.713 20 30 FFEDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443347183 513946121 /nfs/dbraw/zinc/94/61/21/513946121.db2.gz XMDWNSKNPFIJJN-UHFFFAOYSA-N -1 3 358.847 2.612 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@H]1Oc2ccccc2[C@H]1C ZINC000443365493 513951155 /nfs/dbraw/zinc/95/11/55/513951155.db2.gz CUYCNRSOEJKOEL-SOZUMNATSA-N -1 3 360.410 2.929 20 30 FFEDHM C=C(C)COCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443480519 513977318 /nfs/dbraw/zinc/97/73/18/513977318.db2.gz CBQKQGVSCQWAFD-UHFFFAOYSA-N -1 3 369.464 2.559 20 30 FFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000451801466 513988434 /nfs/dbraw/zinc/98/84/34/513988434.db2.gz IBOAMDRMQSPEKV-UHFFFAOYSA-N -1 3 358.529 2.697 20 30 FFEDHM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451836997 514015144 /nfs/dbraw/zinc/01/51/44/514015144.db2.gz ISEJJAGPSIMIAC-OCCSQVGLSA-N -1 3 370.858 2.612 20 30 FFEDHM C=C(C)COc1cc(CN[C@@H](Cn2nc(C)cc2C)C(=O)[O-])ccc1OC ZINC000426729685 514026556 /nfs/dbraw/zinc/02/65/56/514026556.db2.gz FYQWCWWHZHHORA-KRWDZBQOSA-N -1 3 373.453 2.706 20 30 FFEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1cc(C)cc(C)c1 ZINC000443896379 514065344 /nfs/dbraw/zinc/06/53/44/514065344.db2.gz LKYARZXGJQWMAJ-GOSISDBHSA-N -1 3 372.446 2.676 20 30 FFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000452022315 514141438 /nfs/dbraw/zinc/14/14/38/514141438.db2.gz KWELDYPKIVWZFD-JTQLQIEISA-N -1 3 368.680 2.708 20 30 FFEDHM COC(=O)C1(CS(=O)(=O)[N-]c2cccc(C#N)c2C)CCCCC1 ZINC000427257892 514164718 /nfs/dbraw/zinc/16/47/18/514164718.db2.gz RGNCOGJPAQHCAB-UHFFFAOYSA-N -1 3 350.440 2.732 20 30 FFEDHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000420724757 514260905 /nfs/dbraw/zinc/26/09/05/514260905.db2.gz LFDIWVPKGILMRK-GHMZBOCLSA-N -1 3 373.272 2.557 20 30 FFEDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000432852499 514302317 /nfs/dbraw/zinc/30/23/17/514302317.db2.gz QYWFMHMBEGFWDB-UHFFFAOYSA-N -1 3 372.269 2.564 20 30 FFEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000432885287 514313130 /nfs/dbraw/zinc/31/31/30/514313130.db2.gz SBMMJGWMLCLZOT-UHFFFAOYSA-N -1 3 367.405 2.868 20 30 FFEDHM C[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428376975 514461259 /nfs/dbraw/zinc/46/12/59/514461259.db2.gz WPGDWLBYHXYASX-LLVKDONJSA-N -1 3 369.368 2.882 20 30 FFEDHM COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(C#N)c1C)c1ccccc1 ZINC000507949518 514621618 /nfs/dbraw/zinc/62/16/18/514621618.db2.gz NMCFRPWZLMCYMH-MRXNPFEDSA-N -1 3 358.419 2.565 20 30 FFEDHM C=CCn1c(=O)[n-]nc1S[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)C(C)C ZINC000470818204 514624977 /nfs/dbraw/zinc/62/49/77/514624977.db2.gz VQNHGOWCJNKZJS-MCIONIFRSA-N -1 3 352.504 2.981 20 30 FFEDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1C ZINC000507971990 514627954 /nfs/dbraw/zinc/62/79/54/514627954.db2.gz UQCOWGGWIRQXTN-UHFFFAOYSA-N -1 3 362.382 2.983 20 30 FFEDHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3cccc(C#N)c3)cs2)c1[N+](=O)[O-] ZINC000502388828 514633997 /nfs/dbraw/zinc/63/39/97/514633997.db2.gz LVMMORHMIZINTJ-UHFFFAOYSA-N -1 3 354.351 2.874 20 30 FFEDHM COC(=O)c1cccc2nc(NC(=O)c3cc(C#N)cc(N(C)C)c3)[n-]c21 ZINC000484415158 514650582 /nfs/dbraw/zinc/65/05/82/514650582.db2.gz KWDVOMRUQGLVKG-UHFFFAOYSA-N -1 3 363.377 2.539 20 30 FFEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C#N)cc(N(C)C)c3)nc21 ZINC000484415158 514650593 /nfs/dbraw/zinc/65/05/93/514650593.db2.gz KWDVOMRUQGLVKG-UHFFFAOYSA-N -1 3 363.377 2.539 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)(C)C)nc2)nc(C)n1 ZINC000453583153 514700914 /nfs/dbraw/zinc/70/09/14/514700914.db2.gz ORCNPWJNYMUSCD-CQSZACIVSA-N -1 3 351.410 2.963 20 30 FFEDHM N#Cc1ccc(CC(C#N)C(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1 ZINC000471044219 514730688 /nfs/dbraw/zinc/73/06/88/514730688.db2.gz PPOYNFGNPYSTAG-GOSISDBHSA-N -1 3 353.385 2.758 20 30 FFEDHM C[C@@H](C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000461905376 514777947 /nfs/dbraw/zinc/77/79/47/514777947.db2.gz SEDZLBMRMSPJHX-LLVKDONJSA-N -1 3 361.398 2.811 20 30 FFEDHM C=CCCN(C)C(=O)c1c(C)oc2[n-]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000471360302 514849790 /nfs/dbraw/zinc/84/97/90/514849790.db2.gz MGQGKHQTMGBSGD-UHFFFAOYSA-N -1 3 353.378 2.641 20 30 FFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)C2CC2)s1 ZINC000489613686 514916785 /nfs/dbraw/zinc/91/67/85/514916785.db2.gz VZAMZFRNNQGYOK-CQSZACIVSA-N -1 3 351.428 2.892 20 30 FFEDHM N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc([O-])cc2F)c1 ZINC000476155500 514932293 /nfs/dbraw/zinc/93/22/93/514932293.db2.gz MAXVVTVNKVXYBR-QGZVFWFLSA-N -1 3 353.353 2.533 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000456113689 514960264 /nfs/dbraw/zinc/96/02/64/514960264.db2.gz HFBVBTXJECEQIA-UHFFFAOYSA-N -1 3 358.442 2.582 20 30 FFEDHM C=CC(C)(C)CNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000456122227 514965454 /nfs/dbraw/zinc/96/54/54/514965454.db2.gz ZEXYHVPLFPFXRG-UHFFFAOYSA-N -1 3 372.469 2.973 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Oc1ccc(F)cc1 ZINC000476310005 514993727 /nfs/dbraw/zinc/99/37/27/514993727.db2.gz ULTXRTIUJXZXMS-CQSZACIVSA-N -1 3 354.447 2.986 20 30 FFEDHM C[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Oc1ccccc1F ZINC000476309585 514993990 /nfs/dbraw/zinc/99/39/90/514993990.db2.gz UBCOJSUUULGQEA-AWEZNQCLSA-N -1 3 354.447 2.986 20 30 FFEDHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000476331475 515005493 /nfs/dbraw/zinc/00/54/93/515005493.db2.gz CRYHJRNTCNLIOT-HNNXBMFYSA-N -1 3 366.483 2.856 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccsc1 ZINC000503450798 515038619 /nfs/dbraw/zinc/03/86/19/515038619.db2.gz XWBJYKIIIIUOAC-CQSZACIVSA-N -1 3 369.899 2.854 20 30 FFEDHM C=CCn1cccc1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000490018101 515069408 /nfs/dbraw/zinc/06/94/08/515069408.db2.gz DVTPEUSHDPGAQD-UHFFFAOYSA-N -1 3 363.414 2.506 20 30 FFEDHM N#Cc1c2c(sc1[N-]C(=O)c1cn([C@H]3CCOC3)nn1)CCCCC2 ZINC000485613553 515113432 /nfs/dbraw/zinc/11/34/32/515113432.db2.gz MJEBIHISPHTIHG-NSHDSACASA-N -1 3 357.439 2.694 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccc2c(c1)CCO2 ZINC000480896835 515129123 /nfs/dbraw/zinc/12/91/23/515129123.db2.gz JREQHSUPDULZBH-UHFFFAOYSA-N -1 3 362.838 2.668 20 30 FFEDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n[nH]1 ZINC000486601504 515556635 /nfs/dbraw/zinc/55/66/35/515556635.db2.gz IULNXJMEJPKDLY-ZJUUUORDSA-N -1 3 367.862 2.883 20 30 FFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1ccc(C)c(C)c1 ZINC000468901826 515574741 /nfs/dbraw/zinc/57/47/41/515574741.db2.gz JOVVEFVIMYGANC-SFHVURJKSA-N -1 3 372.446 2.676 20 30 FFEDHM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1cc(C(F)(F)F)ccn1 ZINC000464413275 515815009 /nfs/dbraw/zinc/81/50/09/515815009.db2.gz YOZURVLBBQCCCQ-LLVKDONJSA-N -1 3 361.279 2.921 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000500924378 515905636 /nfs/dbraw/zinc/90/56/36/515905636.db2.gz OQHDQIABGXMTCL-QGZVFWFLSA-N -1 3 366.389 2.644 20 30 FFEDHM CCOc1nc2cc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)ccc2[n-]1 ZINC000469888941 516016894 /nfs/dbraw/zinc/01/68/94/516016894.db2.gz MSOVUEMJTIMQEE-UHFFFAOYSA-N -1 3 362.389 2.737 20 30 FFEDHM CCOc1nc2ccc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc2[n-]1 ZINC000469888941 516016902 /nfs/dbraw/zinc/01/69/02/516016902.db2.gz MSOVUEMJTIMQEE-UHFFFAOYSA-N -1 3 362.389 2.737 20 30 FFEDHM C[C@H](CC#N)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000512078670 516142032 /nfs/dbraw/zinc/14/20/32/516142032.db2.gz VABBLJUFPZRYTF-GFCCVEGCSA-N -1 3 369.512 2.781 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)n1 ZINC000512110818 516155252 /nfs/dbraw/zinc/15/52/52/516155252.db2.gz YYSWTTIOTQABKK-UHFFFAOYSA-N -1 3 362.324 2.540 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)n1 ZINC000512110818 516155259 /nfs/dbraw/zinc/15/52/59/516155259.db2.gz YYSWTTIOTQABKK-UHFFFAOYSA-N -1 3 362.324 2.540 20 30 FFEDHM C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CCCC1(C)C ZINC000470295736 516197648 /nfs/dbraw/zinc/19/76/48/516197648.db2.gz BLHFWUYFFLMKMD-CQSZACIVSA-N -1 3 354.472 2.703 20 30 FFEDHM C=CC[C@@H]1N(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CCCC1(C)C ZINC000470295735 516198312 /nfs/dbraw/zinc/19/83/12/516198312.db2.gz BLHFWUYFFLMKMD-AWEZNQCLSA-N -1 3 354.472 2.703 20 30 FFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000531480172 516488849 /nfs/dbraw/zinc/48/88/49/516488849.db2.gz DIQIHOSYIGCCDM-CQSZACIVSA-N -1 3 366.389 2.972 20 30 FFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000531480171 516489019 /nfs/dbraw/zinc/48/90/19/516489019.db2.gz DIQIHOSYIGCCDM-AWEZNQCLSA-N -1 3 366.389 2.972 20 30 FFEDHM N#Cc1cccc(OC2CCN(C(=O)N=c3cc4ccccn4[n-]3)CC2)c1 ZINC000554535503 516493274 /nfs/dbraw/zinc/49/32/74/516493274.db2.gz VFAYFBDZSDEILR-UHFFFAOYSA-N -1 3 361.405 2.703 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000523568768 516508166 /nfs/dbraw/zinc/50/81/66/516508166.db2.gz FQSWNYLFMJQVPI-QGZVFWFLSA-N -1 3 373.453 2.640 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2F)c(F)c1 ZINC000544100133 516580835 /nfs/dbraw/zinc/58/08/35/516580835.db2.gz APMYUKYMRACLMF-UHFFFAOYSA-N -1 3 358.316 2.636 20 30 FFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000551207750 516605578 /nfs/dbraw/zinc/60/55/78/516605578.db2.gz SRLNNPDLFQVWDQ-UHFFFAOYSA-N -1 3 352.774 2.512 20 30 FFEDHM N#CCc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000536179781 516665949 /nfs/dbraw/zinc/66/59/49/516665949.db2.gz QRPRNDMUEVXRIO-UHFFFAOYSA-N -1 3 373.409 2.585 20 30 FFEDHM C=CCCc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000558571606 516814560 /nfs/dbraw/zinc/81/45/60/516814560.db2.gz JAJHVGJHEWCUAH-UHFFFAOYSA-N -1 3 362.426 2.861 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000544725406 516897082 /nfs/dbraw/zinc/89/70/82/516897082.db2.gz GLGWDTMIBPIGOB-HOTGVXAUSA-N -1 3 370.421 2.798 20 30 FFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N=c1[nH][n-]cc1Br ZINC000552069832 517062925 /nfs/dbraw/zinc/06/29/25/517062925.db2.gz LQDRFSWAVFDRSK-ZDUSSCGKSA-N -1 3 363.215 2.508 20 30 FFEDHM Cc1cc(N2CCc3c(nc[n-]c3=O)C2)n2c3ccccc3nc2c1C#N ZINC000514829363 517076637 /nfs/dbraw/zinc/07/66/37/517076637.db2.gz AUTDAHNPSZDXOU-UHFFFAOYSA-N -1 3 356.389 2.726 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c(F)c1 ZINC000525702422 517125444 /nfs/dbraw/zinc/12/54/44/517125444.db2.gz QPUDFMIMDOIKLL-UHFFFAOYSA-N -1 3 357.366 2.831 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnc(C)c1Br ZINC000525870705 517208959 /nfs/dbraw/zinc/20/89/59/517208959.db2.gz AOCKLWJNUAFKHG-UHFFFAOYSA-N -1 3 366.240 2.555 20 30 FFEDHM N#CC(=C([O-])c1ccc(F)c(I)c1)c1ccncn1 ZINC000545446736 517243379 /nfs/dbraw/zinc/24/33/79/517243379.db2.gz SKJCFSNOZGVMBI-SECBINFHSA-N -1 3 367.121 2.710 20 30 FFEDHM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)c1ccncn1 ZINC000545445777 517243700 /nfs/dbraw/zinc/24/37/00/517243700.db2.gz JTNQWRKCOKOQNF-SNVBAGLBSA-N -1 3 361.283 2.584 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(OC(F)F)c2)c(Cl)c1 ZINC000556355552 517387925 /nfs/dbraw/zinc/38/79/25/517387925.db2.gz DBBYWCPRCZPFTG-UHFFFAOYSA-N -1 3 373.768 2.687 20 30 FFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000520632192 517464618 /nfs/dbraw/zinc/46/46/18/517464618.db2.gz RZOOOYMURNJQEI-UHFFFAOYSA-N -1 3 362.437 2.797 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(OC(F)(F)F)cc1 ZINC000527356581 517655598 /nfs/dbraw/zinc/65/55/98/517655598.db2.gz KCEQWRYZZSCTFH-CYBMUJFWSA-N -1 3 361.283 2.851 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(OC(F)(F)F)cc1 ZINC000527356581 517655610 /nfs/dbraw/zinc/65/56/10/517655610.db2.gz KCEQWRYZZSCTFH-CYBMUJFWSA-N -1 3 361.283 2.851 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(OC(F)(F)F)cc1 ZINC000527356581 517655619 /nfs/dbraw/zinc/65/56/19/517655619.db2.gz KCEQWRYZZSCTFH-CYBMUJFWSA-N -1 3 361.283 2.851 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C[S@@](C)=O ZINC000546528290 517713126 /nfs/dbraw/zinc/71/31/26/517713126.db2.gz KZBDCPAFYOOMCS-AREMUKBSSA-N -1 3 371.462 2.726 20 30 FFEDHM N#Cc1cc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1Cl ZINC000538686185 517721982 /nfs/dbraw/zinc/72/19/82/517721982.db2.gz PSSCJYFGSPVQNA-UHFFFAOYSA-N -1 3 369.808 2.515 20 30 FFEDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000538896581 517832540 /nfs/dbraw/zinc/83/25/40/517832540.db2.gz JFFOMPWUOOSDIO-LBPRGKRZSA-N -1 3 359.329 2.853 20 30 FFEDHM Cn1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c(-c2ccccc2)n1 ZINC000542981305 517851186 /nfs/dbraw/zinc/85/11/86/517851186.db2.gz KOIYHYKAJVXTTF-UHFFFAOYSA-N -1 3 370.409 2.576 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(CC#N)cc3)n2)cc1 ZINC000547004038 517953358 /nfs/dbraw/zinc/95/33/58/517953358.db2.gz CXDSZAJZUUODIK-UHFFFAOYSA-N -1 3 354.391 2.841 20 30 FFEDHM CN(CC(C)(C)C#N)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000557463693 518017230 /nfs/dbraw/zinc/01/72/30/518017230.db2.gz HHYYAPIZPQNGGF-UHFFFAOYSA-N -1 3 362.227 2.912 20 30 FFEDHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000539384707 518019682 /nfs/dbraw/zinc/01/96/82/518019682.db2.gz CROYBJBLSNWNBS-NVXWUHKLSA-N -1 3 360.410 2.930 20 30 FFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccc(C#N)cc2)CCCC1 ZINC000564075267 518294605 /nfs/dbraw/zinc/29/46/05/518294605.db2.gz IPKBMRRAPFAOHP-UHFFFAOYSA-N -1 3 364.467 2.632 20 30 FFEDHM Cc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1Br ZINC000569952146 518373444 /nfs/dbraw/zinc/37/34/44/518373444.db2.gz CBXVWKQPXAVTSG-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM COc1cc([N-]S(=O)(=O)CCC(C)(C)C#N)c(OC)c(C)c1OC ZINC000569977543 518384389 /nfs/dbraw/zinc/38/43/89/518384389.db2.gz MGDPTELZMKHQHA-UHFFFAOYSA-N -1 3 356.444 2.702 20 30 FFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cncc(C#N)c2)c2ccc(F)cc2O1 ZINC000573022825 518470522 /nfs/dbraw/zinc/47/05/22/518470522.db2.gz YHIPINCXJXCHES-HNNXBMFYSA-N -1 3 361.398 2.673 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000581943635 518514688 /nfs/dbraw/zinc/51/46/88/518514688.db2.gz PXYKYTOKOYWVAD-UHFFFAOYSA-N -1 3 357.501 2.525 20 30 FFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000576321718 518533902 /nfs/dbraw/zinc/53/39/02/518533902.db2.gz SGLLCEPSPYILLI-SECBINFHSA-N -1 3 351.653 2.929 20 30 FFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](F)C1 ZINC000582662950 518863178 /nfs/dbraw/zinc/86/31/78/518863178.db2.gz HVLUNCWPKRDWMK-VXGBXAGGSA-N -1 3 361.236 2.880 20 30 FFEDHM C=CCc1ccccc1OC[C@@H](O)CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000568099327 518874190 /nfs/dbraw/zinc/87/41/90/518874190.db2.gz BBIRELDGRCCAQB-RXVVDRJESA-N -1 3 367.445 2.839 20 30 FFEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)N[C@@H](CC)CC#N)nc(=O)c2c1C ZINC000577646580 519185363 /nfs/dbraw/zinc/18/53/63/519185363.db2.gz PEWQNPFWTCCHEN-MNOVXSKESA-N -1 3 362.455 2.813 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC12CCSCC2 ZINC000566082100 519287200 /nfs/dbraw/zinc/28/72/00/519287200.db2.gz HQUYXSMXWPQUOC-AWEZNQCLSA-N -1 3 359.495 2.858 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@H]1c1cnn(C)c1 ZINC000571904914 519340473 /nfs/dbraw/zinc/34/04/73/519340473.db2.gz VDHDSLRFTVWGKL-GOSISDBHSA-N -1 3 367.453 2.552 20 30 FFEDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cncc(C#N)c2)c(Cl)c1 ZINC000583686210 519380885 /nfs/dbraw/zinc/38/08/85/519380885.db2.gz TTXMTAZYLHJSBN-UHFFFAOYSA-N -1 3 365.798 2.503 20 30 FFEDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000572101910 519443918 /nfs/dbraw/zinc/44/39/18/519443918.db2.gz UCIPSSVNRXAUFN-UHFFFAOYSA-N -1 3 372.372 2.833 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2nnn(C(C)C)c2C)c(C#N)c1C ZINC000590974993 519466911 /nfs/dbraw/zinc/46/69/11/519466911.db2.gz MREVZJTWPJLVQI-UHFFFAOYSA-N -1 3 361.427 2.838 20 30 FFEDHM Cc1c(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)nnn1-c1cnn(C)c1 ZINC000572368765 519581016 /nfs/dbraw/zinc/58/10/16/519581016.db2.gz WYCGDFMCKISRSG-UHFFFAOYSA-N -1 3 369.454 2.792 20 30 FFEDHM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(=O)[n-]cn1 ZINC000600036285 520011012 /nfs/dbraw/zinc/01/10/12/520011012.db2.gz BEWGTUQJTXYOKN-JTQLQIEISA-N -1 3 350.300 2.755 20 30 FFEDHM C=CCCC1(C[N-]S(=O)(=O)c2csnc2C(=O)OC)CCCC1 ZINC000594798929 520162588 /nfs/dbraw/zinc/16/25/88/520162588.db2.gz KOZNZHJNIKDNDP-UHFFFAOYSA-N -1 3 358.485 2.735 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000594803652 520165968 /nfs/dbraw/zinc/16/59/68/520165968.db2.gz DGWJMJNPUADTDT-AWEZNQCLSA-N -1 3 350.465 2.521 20 30 FFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594814554 520170104 /nfs/dbraw/zinc/17/01/04/520170104.db2.gz BCIHRRYUYZGNOM-UHFFFAOYSA-N -1 3 350.849 2.836 20 30 FFEDHM N#Cc1ccccc1S(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000594817864 520171459 /nfs/dbraw/zinc/17/14/59/520171459.db2.gz FFKFQGBEIXMABF-CQSZACIVSA-N -1 3 362.373 2.727 20 30 FFEDHM CSc1ccc([O-])c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000597684646 520174161 /nfs/dbraw/zinc/17/41/61/520174161.db2.gz MVGNCSYSBWVHJO-ZDUSSCGKSA-N -1 3 355.419 2.674 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1C[C@H](O)C12CCC2 ZINC000594862331 520196105 /nfs/dbraw/zinc/19/61/05/520196105.db2.gz BFVKEYPFJCERRI-GJZGRUSLSA-N -1 3 362.476 2.663 20 30 FFEDHM N#CC[C@@]1(O)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000592149790 520226154 /nfs/dbraw/zinc/22/61/54/520226154.db2.gz WMGGENHUSOGBCY-QGZVFWFLSA-N -1 3 356.407 2.507 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2N2CCCC2)o1 ZINC000592385272 520363617 /nfs/dbraw/zinc/36/36/17/520363617.db2.gz HKHDKCIIBLGXDE-MJGOQNOKSA-N -1 3 371.462 2.581 20 30 FFEDHM N#Cc1c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CCC2 ZINC000603941452 520410760 /nfs/dbraw/zinc/41/07/60/520410760.db2.gz YDSVKXBYSFUMLH-UHFFFAOYSA-N -1 3 357.347 2.998 20 30 FFEDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000595352330 520422913 /nfs/dbraw/zinc/42/29/13/520422913.db2.gz CIRVCBDDUBQXIQ-ROUUACIJSA-N -1 3 362.426 2.734 20 30 FFEDHM C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610083332 520533707 /nfs/dbraw/zinc/53/37/07/520533707.db2.gz WVBTXGSHDBJDLK-YOEHRIQHSA-N -1 3 373.453 2.811 20 30 FFEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCC1(C#N)CCCCC1 ZINC000598307550 520549744 /nfs/dbraw/zinc/54/97/44/520549744.db2.gz QFVWQFXGZMPRLI-UHFFFAOYSA-N -1 3 353.426 2.755 20 30 FFEDHM N#Cc1ccccc1COc1cccc(CN[C@@H](C(=O)[O-])[C@@H]2CCCO2)c1 ZINC000600943223 520551368 /nfs/dbraw/zinc/55/13/68/520551368.db2.gz VANHVDUMVPCJQN-VQTJNVASSA-N -1 3 366.417 2.859 20 30 FFEDHM CO[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCCC1 ZINC000598438254 520617828 /nfs/dbraw/zinc/61/78/28/520617828.db2.gz TZWJOFOUJHRWOY-SFHVURJKSA-N -1 3 359.470 2.920 20 30 FFEDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000610339237 520642078 /nfs/dbraw/zinc/64/20/78/520642078.db2.gz NWETUXLBKPTKER-NSHDSACASA-N -1 3 361.379 2.515 20 30 FFEDHM C=CC[C@H]1CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000617783799 520715606 /nfs/dbraw/zinc/71/56/06/520715606.db2.gz HGWMXTWCVDIOPT-INIZCTEOSA-N -1 3 366.465 2.888 20 30 FFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000613945254 520736380 /nfs/dbraw/zinc/73/63/80/520736380.db2.gz OJKMIMUOUMQPIK-UHFFFAOYSA-N -1 3 360.863 2.583 20 30 FFEDHM CCc1csc([C@H](C)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)n1 ZINC000601442419 520787027 /nfs/dbraw/zinc/78/70/27/520787027.db2.gz BRBFWBOZWOJNJX-JTQLQIEISA-N -1 3 353.444 2.897 20 30 FFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c(F)c1 ZINC000614080215 520789092 /nfs/dbraw/zinc/78/90/92/520789092.db2.gz HBCYYOZKRJDROB-BZNIZROVSA-N -1 3 353.419 2.535 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)c(C(F)(F)F)c1 ZINC000601517887 520822155 /nfs/dbraw/zinc/82/21/55/520822155.db2.gz DHGZYICLSRSUMG-VXNVDRBHSA-N -1 3 358.263 2.806 20 30 FFEDHM CC[C@H](OC1CCCCC1)C(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000610757706 520830742 /nfs/dbraw/zinc/83/07/42/520830742.db2.gz JGVFXHTYQXLXCM-SFHVURJKSA-N -1 3 367.453 2.936 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCn3nccc32)c(C(F)(F)F)c1 ZINC000601538862 520831671 /nfs/dbraw/zinc/83/16/71/520831671.db2.gz GCKAIEYDJLWBQR-LBPRGKRZSA-N -1 3 370.356 2.587 20 30 FFEDHM COc1cccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1[O-] ZINC000593354393 520933891 /nfs/dbraw/zinc/93/38/91/520933891.db2.gz ZZBXNCMHROCGAQ-UHFFFAOYSA-N -1 3 365.433 2.667 20 30 FFEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC2 ZINC000611017183 520949308 /nfs/dbraw/zinc/94/93/08/520949308.db2.gz HEPOXYCXZYFZED-OAHLLOKOSA-N -1 3 357.391 2.741 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000601886752 521008045 /nfs/dbraw/zinc/00/80/45/521008045.db2.gz QAGUKQXEJNRTQY-PKOBYXMFSA-N -1 3 357.454 2.672 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccc(OC2CCCC2)nc1 ZINC000593533077 521055447 /nfs/dbraw/zinc/05/54/47/521055447.db2.gz WFMPGVLAMGSHFJ-UHFFFAOYSA-N -1 3 363.464 2.815 20 30 FFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccc(F)cc21 ZINC000593535615 521059339 /nfs/dbraw/zinc/05/93/39/521059339.db2.gz MPJDZHGUQFJLSA-GFCCVEGCSA-N -1 3 352.412 2.951 20 30 FFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CN1Cc1ccccc1 ZINC000593562215 521077999 /nfs/dbraw/zinc/07/79/99/521077999.db2.gz CKRRWQHBWZZZRC-UKRRQHHQSA-N -1 3 361.492 2.561 20 30 FFEDHM COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593573606 521085542 /nfs/dbraw/zinc/08/55/42/521085542.db2.gz YMTHIDVWIZBWIP-MEDUHNTESA-N -1 3 366.464 2.683 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594069583 521387499 /nfs/dbraw/zinc/38/74/99/521387499.db2.gz CAPLQGAMWFUJCA-HKUYNNGSSA-N -1 3 357.454 2.672 20 30 FFEDHM N#Cc1ccccc1CSCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000594215211 521481339 /nfs/dbraw/zinc/48/13/39/521481339.db2.gz BVZPWQGMRJJBCB-UHFFFAOYSA-N -1 3 354.435 2.594 20 30 FFEDHM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619462906 521581045 /nfs/dbraw/zinc/58/10/45/521581045.db2.gz ATAJSPBLNHVYCP-UHFFFAOYSA-N -1 3 360.435 2.703 20 30 FFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccnn1C ZINC000615946665 521584143 /nfs/dbraw/zinc/58/41/43/521584143.db2.gz DLFOLWLSJUJDBU-CQSZACIVSA-N -1 3 366.874 2.663 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncc(N2CCCC2=O)c1 ZINC000626283699 522074449 /nfs/dbraw/zinc/07/44/49/522074449.db2.gz JZXFNTPGHAMSDH-HNNXBMFYSA-N -1 3 359.389 2.585 20 30 FFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc3cccc(C)c3s2)nn1 ZINC000632635471 522202618 /nfs/dbraw/zinc/20/26/18/522202618.db2.gz WXQJTDXHXAAVJD-UHFFFAOYSA-N -1 3 362.480 2.856 20 30 FFEDHM C=CCCC(C)(C)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000620859025 522485879 /nfs/dbraw/zinc/48/58/79/522485879.db2.gz VHUGTIWQNSRHIE-UHFFFAOYSA-N -1 3 354.454 2.934 20 30 FFEDHM Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)[n-]1 ZINC000610570247 554531688 /nfs/dbraw/zinc/53/16/88/554531688.db2.gz LTFJXQAFQCJSBG-SWLSCSKDSA-N -1 3 358.471 2.558 20 30 FFEDHM N#Cc1ccc(NC(=O)CCSc2ccccc2F)cc1-c1nnn[n-]1 ZINC000737716247 598915784 /nfs/dbraw/zinc/91/57/84/598915784.db2.gz NORACDBJCZRPRA-UHFFFAOYSA-N -1 3 368.397 2.998 20 30 FFEDHM N#Cc1ccc(NC(=O)CCSc2ccccc2F)cc1-c1nn[n-]n1 ZINC000737716247 598915785 /nfs/dbraw/zinc/91/57/85/598915785.db2.gz NORACDBJCZRPRA-UHFFFAOYSA-N -1 3 368.397 2.998 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1-c1nnn[n-]1 ZINC000737708033 598917012 /nfs/dbraw/zinc/91/70/12/598917012.db2.gz CMKNJIOETKHVHE-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1-c1nn[n-]n1 ZINC000737708033 598917013 /nfs/dbraw/zinc/91/70/13/598917013.db2.gz CMKNJIOETKHVHE-UHFFFAOYSA-N -1 3 360.711 2.922 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737716320 598923255 /nfs/dbraw/zinc/92/32/55/598923255.db2.gz PBNVGDCTIPPGIE-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM N#Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737716320 598923256 /nfs/dbraw/zinc/92/32/56/598923256.db2.gz PBNVGDCTIPPGIE-UHFFFAOYSA-N -1 3 370.319 2.521 20 30 FFEDHM CC(C)Oc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000735914270 598927646 /nfs/dbraw/zinc/92/76/46/598927646.db2.gz USJHRPGUEKXCRM-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM CC(C)Oc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000735914270 598927647 /nfs/dbraw/zinc/92/76/47/598927647.db2.gz USJHRPGUEKXCRM-UHFFFAOYSA-N -1 3 362.393 2.707 20 30 FFEDHM N#Cc1cc(NC(=O)CCCOCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737706033 598929794 /nfs/dbraw/zinc/92/97/94/598929794.db2.gz VAUMIWYTKMCQCL-UHFFFAOYSA-N -1 3 362.393 2.674 20 30 FFEDHM N#Cc1cc(NC(=O)CCCOCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737706033 598929795 /nfs/dbraw/zinc/92/97/95/598929795.db2.gz VAUMIWYTKMCQCL-UHFFFAOYSA-N -1 3 362.393 2.674 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735974543 598967635 /nfs/dbraw/zinc/96/76/35/598967635.db2.gz LMSRYMQZLXJCSO-CYBMUJFWSA-N -1 3 363.377 2.905 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735974543 598967638 /nfs/dbraw/zinc/96/76/38/598967638.db2.gz LMSRYMQZLXJCSO-CYBMUJFWSA-N -1 3 363.377 2.905 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735381753 599094575 /nfs/dbraw/zinc/09/45/75/599094575.db2.gz ZIIUCCVSQAEMFA-UHFFFAOYSA-N -1 3 365.368 2.589 20 30 FFEDHM C#CCOc1ccc(F)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735381753 599094577 /nfs/dbraw/zinc/09/45/77/599094577.db2.gz ZIIUCCVSQAEMFA-UHFFFAOYSA-N -1 3 365.368 2.589 20 30 FFEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1nccn1CC(F)(F)F ZINC000823503161 599113965 /nfs/dbraw/zinc/11/39/65/599113965.db2.gz CHCJLWJOFGFZNL-FLIBITNWSA-N -1 3 374.326 2.838 20 30 FFEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1nccn1CC(F)(F)F ZINC000823503161 599113966 /nfs/dbraw/zinc/11/39/66/599113966.db2.gz CHCJLWJOFGFZNL-FLIBITNWSA-N -1 3 374.326 2.838 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735635902 599127407 /nfs/dbraw/zinc/12/74/07/599127407.db2.gz KISMNBLAUSAUAT-ZDUSSCGKSA-N -1 3 371.445 2.959 20 30 FFEDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735635902 599127410 /nfs/dbraw/zinc/12/74/10/599127410.db2.gz KISMNBLAUSAUAT-ZDUSSCGKSA-N -1 3 371.445 2.959 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000737065102 599152875 /nfs/dbraw/zinc/15/28/75/599152875.db2.gz HKVXCWQPDUBWFP-XVNBXDOJSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000737065102 599152877 /nfs/dbraw/zinc/15/28/77/599152877.db2.gz HKVXCWQPDUBWFP-XVNBXDOJSA-N -1 3 354.341 2.919 20 30 FFEDHM CCn1nc(C)c(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1C ZINC000736727031 599154578 /nfs/dbraw/zinc/15/45/78/599154578.db2.gz ACEICQKGZSGKRG-VURMDHGXSA-N -1 3 352.398 2.605 20 30 FFEDHM CCn1nc(C)c(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1C ZINC000736727031 599154581 /nfs/dbraw/zinc/15/45/81/599154581.db2.gz ACEICQKGZSGKRG-VURMDHGXSA-N -1 3 352.398 2.605 20 30 FFEDHM C#CCCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819693211 599191900 /nfs/dbraw/zinc/19/19/00/599191900.db2.gz ORXUWZNQVNFYHA-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM C#CCCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819693211 599191903 /nfs/dbraw/zinc/19/19/03/599191903.db2.gz ORXUWZNQVNFYHA-UHFFFAOYSA-N -1 3 361.405 2.589 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822016138 607266982 /nfs/dbraw/zinc/26/69/82/607266982.db2.gz VVGGTARKTJMCPS-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM Cc1c(C#N)cccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822016138 607266983 /nfs/dbraw/zinc/26/69/83/607266983.db2.gz VVGGTARKTJMCPS-UHFFFAOYSA-N -1 3 350.407 2.778 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825399490 607844375 /nfs/dbraw/zinc/84/43/75/607844375.db2.gz VOKUENQSBSGWNQ-SNVBAGLBSA-N -1 3 364.862 2.620 20 30 FFEDHM CCN(C[C@H](C)C#N)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825399490 607844376 /nfs/dbraw/zinc/84/43/76/607844376.db2.gz VOKUENQSBSGWNQ-SNVBAGLBSA-N -1 3 364.862 2.620 20 30 FFEDHM CCC(CC)n1ccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)n1 ZINC000820903321 607326305 /nfs/dbraw/zinc/32/63/05/607326305.db2.gz STIKIEWSGNKAGP-UHFFFAOYSA-N -1 3 369.458 2.565 20 30 FFEDHM CCC(CC)n1ccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)n1 ZINC000820903321 607326306 /nfs/dbraw/zinc/32/63/06/607326306.db2.gz STIKIEWSGNKAGP-UHFFFAOYSA-N -1 3 369.458 2.565 20 30 FFEDHM CCC(CC)n1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)n1 ZINC000820902601 607326358 /nfs/dbraw/zinc/32/63/58/607326358.db2.gz NHQVOSOFEQULJA-UHFFFAOYSA-N -1 3 369.458 2.565 20 30 FFEDHM CCC(CC)n1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)n1 ZINC000820902601 607326359 /nfs/dbraw/zinc/32/63/59/607326359.db2.gz NHQVOSOFEQULJA-UHFFFAOYSA-N -1 3 369.458 2.565 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)n1cccc1 ZINC000735420734 598257636 /nfs/dbraw/zinc/25/76/36/598257636.db2.gz RKCDOGOPZODPRO-OAHLLOKOSA-N -1 3 350.426 2.834 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)n1cccc1 ZINC000735420734 598257637 /nfs/dbraw/zinc/25/76/37/598257637.db2.gz RKCDOGOPZODPRO-OAHLLOKOSA-N -1 3 350.426 2.834 20 30 FFEDHM C#Cc1cccc(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000735391411 598323394 /nfs/dbraw/zinc/32/33/94/598323394.db2.gz SHWOBMFAOPRHKT-UHFFFAOYSA-N -1 3 350.407 2.666 20 30 FFEDHM C#Cc1cccc(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000735391411 598323397 /nfs/dbraw/zinc/32/33/97/598323397.db2.gz SHWOBMFAOPRHKT-UHFFFAOYSA-N -1 3 350.407 2.666 20 30 FFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000736167205 598491989 /nfs/dbraw/zinc/49/19/89/598491989.db2.gz CKRKXWANJAVGDU-CHWSQXEVSA-N -1 3 363.377 2.810 20 30 FFEDHM CCc1c(C)sc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000736676330 598517661 /nfs/dbraw/zinc/51/76/61/598517661.db2.gz RWJGJWXWOIDFLL-UHFFFAOYSA-N -1 3 368.422 2.688 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C1CCCCC1 ZINC000735426790 598539722 /nfs/dbraw/zinc/53/97/22/598539722.db2.gz WYFSHZXNVCHDEI-UHFFFAOYSA-N -1 3 361.471 2.517 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCCCC1 ZINC000735426790 598539724 /nfs/dbraw/zinc/53/97/24/598539724.db2.gz WYFSHZXNVCHDEI-UHFFFAOYSA-N -1 3 361.471 2.517 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(C)=O)cc1 ZINC000735418140 598655519 /nfs/dbraw/zinc/65/55/19/598655519.db2.gz BXVRWRNMNPNYHT-UHFFFAOYSA-N -1 3 361.405 2.898 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(C)=O)cc1 ZINC000735418140 598655521 /nfs/dbraw/zinc/65/55/21/598655521.db2.gz BXVRWRNMNPNYHT-UHFFFAOYSA-N -1 3 361.405 2.898 20 30 FFEDHM C=CC1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000735402471 598704567 /nfs/dbraw/zinc/70/45/67/598704567.db2.gz BPBIEVGFDXMDRS-NSHDSACASA-N -1 3 372.498 2.642 20 30 FFEDHM N#CCCCS(=O)(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737687684 598709714 /nfs/dbraw/zinc/70/97/14/598709714.db2.gz SSVOBYUPBVZXRS-UHFFFAOYSA-N -1 3 369.406 2.546 20 30 FFEDHM N#CCCCS(=O)(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737687684 598709716 /nfs/dbraw/zinc/70/97/16/598709716.db2.gz SSVOBYUPBVZXRS-UHFFFAOYSA-N -1 3 369.406 2.546 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736187329 598762433 /nfs/dbraw/zinc/76/24/33/598762433.db2.gz IFDVUMGAELYJPB-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736187329 598762435 /nfs/dbraw/zinc/76/24/35/598762435.db2.gz IFDVUMGAELYJPB-JTQLQIEISA-N -1 3 368.784 2.798 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000735420106 598790809 /nfs/dbraw/zinc/79/08/09/598790809.db2.gz MKKGGGSKHUAPOT-CRAIPNDOSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000735420106 598790811 /nfs/dbraw/zinc/79/08/11/598790811.db2.gz MKKGGGSKHUAPOT-CRAIPNDOSA-N -1 3 369.469 2.977 20 30 FFEDHM C=C1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000735402335 598808470 /nfs/dbraw/zinc/80/84/70/598808470.db2.gz RFVYRJFIAOQTRW-UHFFFAOYSA-N -1 3 365.393 2.831 20 30 FFEDHM C=C1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000735402335 598808471 /nfs/dbraw/zinc/80/84/71/598808471.db2.gz RFVYRJFIAOQTRW-UHFFFAOYSA-N -1 3 365.393 2.831 20 30 FFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCCOc1cccc(C#N)c1 ZINC000736635006 599327455 /nfs/dbraw/zinc/32/74/55/599327455.db2.gz PUBDORXFCKRDPD-UHFFFAOYSA-N -1 3 350.382 2.628 20 30 FFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCCOc1cccc(C#N)c1 ZINC000736635006 599327457 /nfs/dbraw/zinc/32/74/57/599327457.db2.gz PUBDORXFCKRDPD-UHFFFAOYSA-N -1 3 350.382 2.628 20 30 FFEDHM C(=NN=c1[nH]c2ccccc2s1)c1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000735400464 599454945 /nfs/dbraw/zinc/45/49/45/599454945.db2.gz PUJXMCVKJAAQDW-UHFFFAOYSA-N -1 3 361.394 2.570 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000737065520 599460157 /nfs/dbraw/zinc/46/01/57/599460157.db2.gz HVXQRAOYISYJHV-SNAWJCMRSA-N -1 3 364.340 2.558 20 30 FFEDHM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1F ZINC000737065520 599460161 /nfs/dbraw/zinc/46/01/61/599460161.db2.gz HVXQRAOYISYJHV-SNAWJCMRSA-N -1 3 364.340 2.558 20 30 FFEDHM O=C1c2cccc(Cl)c2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738288254 599463831 /nfs/dbraw/zinc/46/38/31/599463831.db2.gz BEPIUZONOYKACZ-IZZDOVSWSA-N -1 3 362.780 2.990 20 30 FFEDHM O=C1c2cccc(Cl)c2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738288254 599463835 /nfs/dbraw/zinc/46/38/35/599463835.db2.gz BEPIUZONOYKACZ-IZZDOVSWSA-N -1 3 362.780 2.990 20 30 FFEDHM N#C[C@@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000737675057 599570015 /nfs/dbraw/zinc/57/00/15/599570015.db2.gz MGWYWDMHCZUQBK-QGZVFWFLSA-N -1 3 359.393 2.642 20 30 FFEDHM C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCc2ccccc2C1 ZINC000820576966 599631092 /nfs/dbraw/zinc/63/10/92/599631092.db2.gz FCFYNXNVESRWHE-FQEVSTJZSA-N -1 3 358.405 2.872 20 30 FFEDHM C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCc2ccccc2C1 ZINC000820576966 599631093 /nfs/dbraw/zinc/63/10/93/599631093.db2.gz FCFYNXNVESRWHE-FQEVSTJZSA-N -1 3 358.405 2.872 20 30 FFEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC000820577005 599631155 /nfs/dbraw/zinc/63/11/55/599631155.db2.gz GQEPOXWPNFVNII-FQEVSTJZSA-N -1 3 358.405 2.872 20 30 FFEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC000820577005 599631156 /nfs/dbraw/zinc/63/11/56/599631156.db2.gz GQEPOXWPNFVNII-FQEVSTJZSA-N -1 3 358.405 2.872 20 30 FFEDHM C=CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000819734808 599674658 /nfs/dbraw/zinc/67/46/58/599674658.db2.gz ULAGLQXMSWBNHF-CXAGYDPISA-N -1 3 363.425 2.939 20 30 FFEDHM C=CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000819734808 599674659 /nfs/dbraw/zinc/67/46/59/599674659.db2.gz ULAGLQXMSWBNHF-CXAGYDPISA-N -1 3 363.425 2.939 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1-c1nnn[n-]1 ZINC000820164328 607434829 /nfs/dbraw/zinc/43/48/29/607434829.db2.gz HWQIYUQMQHJOJR-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM CC(C)Oc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1-c1nn[n-]n1 ZINC000820164328 607434831 /nfs/dbraw/zinc/43/48/31/607434831.db2.gz HWQIYUQMQHJOJR-UHFFFAOYSA-N -1 3 369.429 2.811 20 30 FFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821877805 607458502 /nfs/dbraw/zinc/45/85/02/607458502.db2.gz VYCDBBGUSYPYDD-GHXNOFRVSA-N -1 3 352.325 2.673 20 30 FFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821877805 607458504 /nfs/dbraw/zinc/45/85/04/607458504.db2.gz VYCDBBGUSYPYDD-GHXNOFRVSA-N -1 3 352.325 2.673 20 30 FFEDHM N#Cc1cccc([C@@H](NCc2cc(Cl)c3c(c2)OCCO3)C(=O)[O-])c1 ZINC000833074556 601299766 /nfs/dbraw/zinc/29/97/66/601299766.db2.gz ALGDNNWXXMDOQK-MRXNPFEDSA-N -1 3 358.781 2.898 20 30 FFEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000826045418 601655404 /nfs/dbraw/zinc/65/54/04/601655404.db2.gz TVVQHSUJFVBDPB-JXFKEZNVSA-N -1 3 365.433 2.985 20 30 FFEDHM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)Cc2c1c(F)ccc2F ZINC000826476993 607530213 /nfs/dbraw/zinc/53/02/13/607530213.db2.gz SWUYWECNBYIJDW-BJMVGYQFSA-N -1 3 364.315 2.615 20 30 FFEDHM O=C1C(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)Cc2c1c(F)ccc2F ZINC000826476993 607530215 /nfs/dbraw/zinc/53/02/15/607530215.db2.gz SWUYWECNBYIJDW-BJMVGYQFSA-N -1 3 364.315 2.615 20 30 FFEDHM CC(C)(CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)NC(=O)[O-] ZINC000738728595 603160064 /nfs/dbraw/zinc/16/00/64/603160064.db2.gz BQFFOZBRMMNMLG-SECBINFHSA-N -1 3 355.753 2.563 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826180575 607645736 /nfs/dbraw/zinc/64/57/36/607645736.db2.gz NCHJXGYEQSQZRF-XQRVVYSFSA-N -1 3 369.406 2.791 20 30 FFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826180575 607645737 /nfs/dbraw/zinc/64/57/37/607645737.db2.gz NCHJXGYEQSQZRF-XQRVVYSFSA-N -1 3 369.406 2.791 20 30 FFEDHM CCOC(=O)Nc1ccc(N=Cc2cccc(O)c2O)cc1-c1nnn[n-]1 ZINC000825522509 607679440 /nfs/dbraw/zinc/67/94/40/607679440.db2.gz GMCBROICGBYWCS-UHFFFAOYSA-N -1 3 368.353 2.597 20 30 FFEDHM CCOC(=O)Nc1ccc(N=Cc2cccc(O)c2O)cc1-c1nn[n-]n1 ZINC000825522509 607679441 /nfs/dbraw/zinc/67/94/41/607679441.db2.gz GMCBROICGBYWCS-UHFFFAOYSA-N -1 3 368.353 2.597 20 30 FFEDHM N#CC(C(=O)CC[C@@H]1CCCN1C(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000833961745 605488853 /nfs/dbraw/zinc/48/88/53/605488853.db2.gz UQHVKAKISOGQSL-NWDGAFQWSA-N -1 3 363.801 2.910 20 30 FFEDHM CCCN1C(=O)C(=NN=Cc2cc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC000821109451 606203870 /nfs/dbraw/zinc/20/38/70/606203870.db2.gz ITGVJSQZSYKBPJ-UHFFFAOYSA-N -1 3 365.422 2.508 20 30 FFEDHM CCCN1C(=O)C(=NN=Cc2cc(-c3nn[n-]n3)cs2)c2ccccc21 ZINC000821109451 606203873 /nfs/dbraw/zinc/20/38/73/606203873.db2.gz ITGVJSQZSYKBPJ-UHFFFAOYSA-N -1 3 365.422 2.508 20 30 FFEDHM N#C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000822802239 606206100 /nfs/dbraw/zinc/20/61/00/606206100.db2.gz XTHUBAXMVRSYIU-HNNXBMFYSA-N -1 3 362.349 2.513 20 30 FFEDHM N#C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000822802239 606206102 /nfs/dbraw/zinc/20/61/02/606206102.db2.gz XTHUBAXMVRSYIU-HNNXBMFYSA-N -1 3 362.349 2.513 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3cc(C#N)cn3C)c2-c2nnn[n-]2)C1 ZINC000820727963 606208414 /nfs/dbraw/zinc/20/84/14/606208414.db2.gz RCMRTDNXYQVQQN-VIFPVBQESA-N -1 3 367.438 2.515 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3cc(C#N)cn3C)c2-c2nn[n-]n2)C1 ZINC000820727963 606208415 /nfs/dbraw/zinc/20/84/15/606208415.db2.gz RCMRTDNXYQVQQN-VIFPVBQESA-N -1 3 367.438 2.515 20 30 FFEDHM COc1cccc(C(C)=CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000821857991 606254904 /nfs/dbraw/zinc/25/49/04/606254904.db2.gz CBBFHXZJVHWNMM-XYOKQWHBSA-N -1 3 360.377 2.789 20 30 FFEDHM COc1cccc(C(C)=CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000821857991 606254905 /nfs/dbraw/zinc/25/49/05/606254905.db2.gz CBBFHXZJVHWNMM-XYOKQWHBSA-N -1 3 360.377 2.789 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(C#N)c2n1CCC2 ZINC000822014912 606305882 /nfs/dbraw/zinc/30/58/82/606305882.db2.gz AXAJISTVILPWLW-SNAWJCMRSA-N -1 3 350.407 2.752 20 30 FFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(C#N)c2n1CCC2 ZINC000822014912 606305884 /nfs/dbraw/zinc/30/58/84/606305884.db2.gz AXAJISTVILPWLW-SNAWJCMRSA-N -1 3 350.407 2.752 20 30 FFEDHM N#Cc1ccccc1S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822842482 606313162 /nfs/dbraw/zinc/31/31/62/606313162.db2.gz KJCIALRUCDHZGZ-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccccc1S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822842482 606313164 /nfs/dbraw/zinc/31/31/64/606313164.db2.gz KJCIALRUCDHZGZ-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](Sc2ccccc2-c2nnn[n-]2)C1=O ZINC000822842595 606313210 /nfs/dbraw/zinc/31/32/10/606313210.db2.gz PPMFKVRCHWCCEQ-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM N#Cc1ccsc1N1CC[C@@H](Sc2ccccc2-c2nn[n-]n2)C1=O ZINC000822842595 606313213 /nfs/dbraw/zinc/31/32/13/606313213.db2.gz PPMFKVRCHWCCEQ-CYBMUJFWSA-N -1 3 368.447 2.697 20 30 FFEDHM N#CCN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000822810697 606328020 /nfs/dbraw/zinc/32/80/20/606328020.db2.gz LOLAGEBLSUVCLS-UHFFFAOYSA-N -1 3 350.407 2.516 20 30 FFEDHM N#CCN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000822810697 606328022 /nfs/dbraw/zinc/32/80/22/606328022.db2.gz LOLAGEBLSUVCLS-UHFFFAOYSA-N -1 3 350.407 2.516 20 30 FFEDHM N#CCSCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822815622 606361860 /nfs/dbraw/zinc/36/18/60/606361860.db2.gz UVSZNHVNMMASOD-UHFFFAOYSA-N -1 3 367.390 2.821 20 30 FFEDHM N#CCSCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822815622 606361861 /nfs/dbraw/zinc/36/18/61/606361861.db2.gz UVSZNHVNMMASOD-UHFFFAOYSA-N -1 3 367.390 2.821 20 30 FFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821334934 606390743 /nfs/dbraw/zinc/39/07/43/606390743.db2.gz UHCKCZXQOJXGCI-VQHVLOKHSA-N -1 3 368.418 2.930 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)s1 ZINC000822823499 606490004 /nfs/dbraw/zinc/49/00/04/606490004.db2.gz RRVWLZIBVAHTPW-UHFFFAOYSA-N -1 3 356.436 2.992 20 30 FFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)s1 ZINC000822823499 606490006 /nfs/dbraw/zinc/49/00/06/606490006.db2.gz RRVWLZIBVAHTPW-UHFFFAOYSA-N -1 3 356.436 2.992 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821128694 606598547 /nfs/dbraw/zinc/59/85/47/606598547.db2.gz ZPZDIMDDVNMZJF-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM CCCNc1ccc(C#N)cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821128694 606598549 /nfs/dbraw/zinc/59/85/49/606598549.db2.gz ZPZDIMDDVNMZJF-UHFFFAOYSA-N -1 3 361.409 2.741 20 30 FFEDHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000820500818 606684708 /nfs/dbraw/zinc/68/47/08/606684708.db2.gz GXOGICGSKMLGPT-SECBINFHSA-N -1 3 355.304 2.935 20 30 FFEDHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000820500818 606684709 /nfs/dbraw/zinc/68/47/09/606684709.db2.gz GXOGICGSKMLGPT-SECBINFHSA-N -1 3 355.304 2.935 20 30 FFEDHM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000822225308 606713164 /nfs/dbraw/zinc/71/31/64/606713164.db2.gz XQZVPLLGVJKBFH-UHFFFAOYSA-N -1 3 374.813 2.501 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CCO2 ZINC000821849243 606836595 /nfs/dbraw/zinc/83/65/95/606836595.db2.gz AKCOBNNORRDSLU-POHAHGRESA-N -1 3 354.391 2.986 20 30 FFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CCO2 ZINC000821849243 606836596 /nfs/dbraw/zinc/83/65/96/606836596.db2.gz AKCOBNNORRDSLU-POHAHGRESA-N -1 3 354.391 2.986 20 30 FFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)c2ccc(C#N)cc2)n1 ZINC000822193284 606846193 /nfs/dbraw/zinc/84/61/93/606846193.db2.gz QXOMLTDMEUEISW-AWEZNQCLSA-N -1 3 352.423 2.576 20 30 FFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)c2ccc(C#N)cc2)n1 ZINC000822193284 606846194 /nfs/dbraw/zinc/84/61/94/606846194.db2.gz QXOMLTDMEUEISW-AWEZNQCLSA-N -1 3 352.423 2.576 20 30 FFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000822217373 607097120 /nfs/dbraw/zinc/09/71/20/607097120.db2.gz CFTHADZKBXAMIK-UHFFFAOYSA-N -1 3 351.370 2.716 20 30 FFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000822217373 607097121 /nfs/dbraw/zinc/09/71/21/607097121.db2.gz CFTHADZKBXAMIK-UHFFFAOYSA-N -1 3 351.370 2.716 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821720431 607150814 /nfs/dbraw/zinc/15/08/14/607150814.db2.gz RJTJMNMMFJTPBV-VOTSOKGWSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821720431 607150815 /nfs/dbraw/zinc/15/08/15/607150815.db2.gz RJTJMNMMFJTPBV-VOTSOKGWSA-N -1 3 354.341 2.919 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821720471 607151044 /nfs/dbraw/zinc/15/10/44/607151044.db2.gz SGPDJYFYFIDVPM-ARJAWSKDSA-N -1 3 360.370 2.981 20 30 FFEDHM COc1cc(F)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1OC ZINC000821720471 607151046 /nfs/dbraw/zinc/15/10/46/607151046.db2.gz SGPDJYFYFIDVPM-ARJAWSKDSA-N -1 3 360.370 2.981 20 30 FFEDHM C[C@@H](C#N)CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000824034737 607823815 /nfs/dbraw/zinc/82/38/15/607823815.db2.gz OFQKQNSFIQFSFO-AWEZNQCLSA-N -1 3 368.441 2.566 20 30 FFEDHM C[C@@H](C#N)CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824034737 607823816 /nfs/dbraw/zinc/82/38/16/607823816.db2.gz OFQKQNSFIQFSFO-AWEZNQCLSA-N -1 3 368.441 2.566 20 30 FFEDHM CCCCCCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825271396 607859892 /nfs/dbraw/zinc/85/98/92/607859892.db2.gz IYNKVKZFLSMEHS-UHFFFAOYSA-N -1 3 358.446 2.590 20 30 FFEDHM CCCCCCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825271396 607859893 /nfs/dbraw/zinc/85/98/93/607859893.db2.gz IYNKVKZFLSMEHS-UHFFFAOYSA-N -1 3 358.446 2.590 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)OCC ZINC000823873684 607886001 /nfs/dbraw/zinc/88/60/01/607886001.db2.gz PBGCSSXHXMTYMG-MRXNPFEDSA-N -1 3 359.430 2.964 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)OCC ZINC000823873684 607886002 /nfs/dbraw/zinc/88/60/02/607886002.db2.gz PBGCSSXHXMTYMG-MRXNPFEDSA-N -1 3 359.430 2.964 20 30 FFEDHM C#CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823838330 607956352 /nfs/dbraw/zinc/95/63/52/607956352.db2.gz OFVDECHMOJZDNL-YOEHRIQHSA-N -1 3 361.405 2.515 20 30 FFEDHM C#CC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823838330 607956353 /nfs/dbraw/zinc/95/63/53/607956353.db2.gz OFVDECHMOJZDNL-YOEHRIQHSA-N -1 3 361.405 2.515 20 30 FFEDHM N#CCc1ccc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000826382640 607978877 /nfs/dbraw/zinc/97/88/77/607978877.db2.gz OIQYXKIXNBSUCZ-UHFFFAOYSA-N -1 3 358.361 2.542 20 30 FFEDHM N#CCc1ccc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000826382640 607978878 /nfs/dbraw/zinc/97/88/78/607978878.db2.gz OIQYXKIXNBSUCZ-UHFFFAOYSA-N -1 3 358.361 2.542 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCc2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000826385582 608064894 /nfs/dbraw/zinc/06/48/94/608064894.db2.gz SGYIGJPYZYEGOU-UHFFFAOYSA-N -1 3 368.347 2.978 20 30 FFEDHM N#Cc1ccc(NC(=O)CCCc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000826385582 608064895 /nfs/dbraw/zinc/06/48/95/608064895.db2.gz SGYIGJPYZYEGOU-UHFFFAOYSA-N -1 3 368.347 2.978 20 30 FFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824761984 608070358 /nfs/dbraw/zinc/07/03/58/608070358.db2.gz DRLFFYFLRWQFFW-LIRRHRJNSA-N -1 3 360.421 2.873 20 30 FFEDHM N#Cc1ccc(OCCNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826385904 608291708 /nfs/dbraw/zinc/29/17/08/608291708.db2.gz GTHPACVPBLZNRE-UHFFFAOYSA-N -1 3 361.409 2.503 20 30 FFEDHM N#Cc1ccc(OCCNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826385904 608291709 /nfs/dbraw/zinc/29/17/09/608291709.db2.gz GTHPACVPBLZNRE-UHFFFAOYSA-N -1 3 361.409 2.503 20 30 FFEDHM C=CCCS(=O)(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823899442 608303577 /nfs/dbraw/zinc/30/35/77/608303577.db2.gz WICZDLRUVJJCRY-UHFFFAOYSA-N -1 3 369.450 2.529 20 30 FFEDHM C=CCCS(=O)(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823899442 608303579 /nfs/dbraw/zinc/30/35/79/608303579.db2.gz WICZDLRUVJJCRY-UHFFFAOYSA-N -1 3 369.450 2.529 20 30 FFEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823931701 608474074 /nfs/dbraw/zinc/47/40/74/608474074.db2.gz DGUPGQVFXATOGA-LBPRGKRZSA-N -1 3 351.366 2.745 20 30 FFEDHM C=CCOc1cccnc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823931701 608474075 /nfs/dbraw/zinc/47/40/75/608474075.db2.gz DGUPGQVFXATOGA-LBPRGKRZSA-N -1 3 351.366 2.745 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000823910155 608492587 /nfs/dbraw/zinc/49/25/87/608492587.db2.gz XZIRENBAQMLISW-KBPBESRZSA-N -1 3 370.457 2.520 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000823910155 608492588 /nfs/dbraw/zinc/49/25/88/608492588.db2.gz XZIRENBAQMLISW-KBPBESRZSA-N -1 3 370.457 2.520 20 30 FFEDHM COc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(OC)c1 ZINC000826187891 608540681 /nfs/dbraw/zinc/54/06/81/608540681.db2.gz HSOSCTDVIBQJAI-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM COc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(OC)c1 ZINC000826187891 608540683 /nfs/dbraw/zinc/54/06/83/608540683.db2.gz HSOSCTDVIBQJAI-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM COc1cc(C#N)ccc1OC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826176849 608573679 /nfs/dbraw/zinc/57/36/79/608573679.db2.gz HHGXDAPTASDOAX-UHFFFAOYSA-N -1 3 355.741 2.620 20 30 FFEDHM COc1cc(C#N)ccc1OC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826176849 608573680 /nfs/dbraw/zinc/57/36/80/608573680.db2.gz HHGXDAPTASDOAX-UHFFFAOYSA-N -1 3 355.741 2.620 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826178387 608876392 /nfs/dbraw/zinc/87/63/92/608876392.db2.gz WBTSPEUFXZDHLW-KPKJPENVSA-N -1 3 366.352 2.982 20 30 FFEDHM COc1cc(C)cc2c1OCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826178387 608876395 /nfs/dbraw/zinc/87/63/95/608876395.db2.gz WBTSPEUFXZDHLW-KPKJPENVSA-N -1 3 366.352 2.982 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)cc2)CC1 ZINC000826380721 609246333 /nfs/dbraw/zinc/24/63/33/609246333.db2.gz KLEIRMRKTKNJQG-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM N#CC1(c2ccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)cc2)CC1 ZINC000826380721 609246335 /nfs/dbraw/zinc/24/63/35/609246335.db2.gz KLEIRMRKTKNJQG-UHFFFAOYSA-N -1 3 363.352 2.918 20 30 FFEDHM Cn1cc(C=CC(=O)c2cccnc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359336 609307683 /nfs/dbraw/zinc/30/76/83/609307683.db2.gz CWVZQEMCVZVIEE-HJWRWDBZSA-N -1 3 357.377 2.558 20 30 FFEDHM Cn1cc(C=CC(=O)c2cccnc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359336 609307685 /nfs/dbraw/zinc/30/76/85/609307685.db2.gz CWVZQEMCVZVIEE-HJWRWDBZSA-N -1 3 357.377 2.558 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F ZINC000029052672 727890487 /nfs/dbraw/zinc/89/04/87/727890487.db2.gz ZHXYMJWBWLFOAD-UHFFFAOYSA-N -1 3 370.352 2.821 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)ccc1F ZINC000075290140 728245483 /nfs/dbraw/zinc/24/54/83/728245483.db2.gz JUSMWFUAQKUQBK-STQMWFEESA-N -1 3 354.447 2.551 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)CC[C@H]2C)ccc1F ZINC000075290141 728245569 /nfs/dbraw/zinc/24/55/69/728245569.db2.gz JUSMWFUAQKUQBK-CHWSQXEVSA-N -1 3 354.447 2.551 20 30 FFEDHM Cn1cc(N2CCC[C@@H](/N=C/c3cc(Br)ccc3[O-])C2)cn1 ZINC000125196867 728679945 /nfs/dbraw/zinc/67/99/45/728679945.db2.gz QYYDZMQHKNFWPA-GHIJENOOSA-N -1 3 363.259 2.976 20 30 FFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Br)c(F)c1 ZINC000126306837 728698703 /nfs/dbraw/zinc/69/87/03/728698703.db2.gz MEJWYGKBUPMCSL-SNVBAGLBSA-N -1 3 362.158 2.944 20 30 FFEDHM CC(C)[C@](C)(C#N)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000126503120 728703879 /nfs/dbraw/zinc/70/38/79/728703879.db2.gz ZOYTYHSPRGROQR-KRWDZBQOSA-N -1 3 369.462 2.571 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)CCC[C@H]2C)ccc1F ZINC000150837448 728743586 /nfs/dbraw/zinc/74/35/86/728743586.db2.gz UAPATFYNSJWKSJ-UONOGXRCSA-N -1 3 368.474 2.941 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C2CCCC2)ccc1F ZINC000172096714 729019465 /nfs/dbraw/zinc/01/94/65/729019465.db2.gz KJHBOFNWLSZWQB-GFCCVEGCSA-N -1 3 354.447 2.599 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)[C@H]2C)ccc1F ZINC000172661940 729030296 /nfs/dbraw/zinc/03/02/96/729030296.db2.gz TVKAVRLCKUHQMS-CHWSQXEVSA-N -1 3 354.447 2.551 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C3CC3)[nH]n2)cc1Cl ZINC000193478341 729480198 /nfs/dbraw/zinc/48/01/98/729480198.db2.gz XFAGQILOEDRTOW-LLVKDONJSA-N -1 3 358.785 2.910 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1C[C@@]1(C)Br ZINC000861322987 730597494 /nfs/dbraw/zinc/59/74/94/730597494.db2.gz UTDAUEUENVECJN-MEDUHNTESA-N -1 3 367.243 2.925 20 30 FFEDHM CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000767753082 737364606 /nfs/dbraw/zinc/36/46/06/737364606.db2.gz YZWSXIQLRWKNCF-LBPRGKRZSA-N -1 3 354.428 2.519 20 30 FFEDHM Cc1cc(Br)cc(C)c1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878278654 732508482 /nfs/dbraw/zinc/50/84/82/732508482.db2.gz UPJWZYUOWLLBFJ-LLVKDONJSA-N -1 3 356.220 2.568 20 30 FFEDHM O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878471765 732538313 /nfs/dbraw/zinc/53/83/13/732538313.db2.gz ZSLKXIIFPMWXTP-CQSZACIVSA-N -1 3 366.849 2.832 20 30 FFEDHM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C#N)c(Cl)cc1Cl ZINC000781771999 738657684 /nfs/dbraw/zinc/65/76/84/738657684.db2.gz RPMMVUNLHAFNND-UHFFFAOYSA-N -1 3 365.238 2.608 20 30 FFEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730363821 734633618 /nfs/dbraw/zinc/63/36/18/734633618.db2.gz DSXIBKZZENXPLH-NSHDSACASA-N -1 3 368.227 2.901 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000734366495 734891599 /nfs/dbraw/zinc/89/15/99/734891599.db2.gz UMWGALQRZAZWIS-UZSVJVCZSA-N -1 3 351.447 2.556 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)ccc1F ZINC000784065345 738859673 /nfs/dbraw/zinc/85/96/73/738859673.db2.gz OCHZGHBPGOUVPI-LLVKDONJSA-N -1 3 362.382 2.523 20 30 FFEDHM Cc1ncc(CO)c(/C=N\CC(=O)Nc2cc(Cl)ccc2Cl)c1[O-] ZINC000747712716 735584895 /nfs/dbraw/zinc/58/48/95/735584895.db2.gz DUZAQAWUKLPDMF-SWNXQHNESA-N -1 3 368.220 2.952 20 30 FFEDHM N#Cc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)s1 ZINC000748781347 735671094 /nfs/dbraw/zinc/67/10/94/735671094.db2.gz VNPPGKLKWDIJQI-CQSZACIVSA-N -1 3 369.431 2.895 20 30 FFEDHM Cc1csc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)n1 ZINC000755544598 736260900 /nfs/dbraw/zinc/26/09/00/736260900.db2.gz YVODIUDVXDOULQ-LBPRGKRZSA-N -1 3 359.436 2.726 20 30 FFEDHM Clc1cccc(-n2cc(C=N[N-]c3[nH+]cnc4[n-]cnc43)nn2)c1Cl ZINC000755662139 736269224 /nfs/dbraw/zinc/26/92/24/736269224.db2.gz XRYWILAEZIRSDO-UHFFFAOYSA-N -1 3 374.195 2.686 20 30 FFEDHM [O-]c1ccc(CN=Nc2ccc(-n3ccnc3)nn2)cc1Br ZINC000761844857 736765697 /nfs/dbraw/zinc/76/56/97/736765697.db2.gz CUEGTUAAEKKGSS-UHFFFAOYSA-N -1 3 359.187 2.576 20 30 FFEDHM [O-]c1ccc(C=NNc2ccc(-n3ccnc3)nn2)cc1Br ZINC000761844857 736765698 /nfs/dbraw/zinc/76/56/98/736765698.db2.gz CUEGTUAAEKKGSS-UHFFFAOYSA-N -1 3 359.187 2.576 20 30 FFEDHM C=C(C)C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908751774 736826292 /nfs/dbraw/zinc/82/62/92/736826292.db2.gz NRRSJIVCSVGNJU-KBPBESRZSA-N -1 3 351.472 2.604 20 30 FFEDHM C=CCC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)C(=O)[O-] ZINC000908750370 736826346 /nfs/dbraw/zinc/82/63/46/736826346.db2.gz FCTRLHWETJCZTF-UONOGXRCSA-N -1 3 351.472 2.604 20 30 FFEDHM C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908753409 736826887 /nfs/dbraw/zinc/82/68/87/736826887.db2.gz UXTMXWFQLQWYAO-HZPDHXFCSA-N -1 3 365.861 2.719 20 30 FFEDHM C#C[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C1CCOCC1 ZINC000912692873 737331339 /nfs/dbraw/zinc/33/13/39/737331339.db2.gz ONPXFLAQCZBWCJ-GFCCVEGCSA-N -1 3 365.455 2.648 20 30 FFEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F ZINC000912979068 737365569 /nfs/dbraw/zinc/36/55/69/737365569.db2.gz VONVPEGNAYCDBR-GFCCVEGCSA-N -1 3 358.270 2.766 20 30 FFEDHM COC(=O)CCCC[C@H](C)C(C)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000767779351 737367722 /nfs/dbraw/zinc/36/77/22/737367722.db2.gz JEOOHFDPLXWTNO-AWEZNQCLSA-N -1 3 354.472 2.851 20 30 FFEDHM Cc1nnc([N-]N=Cc2c(-c3ccccc3)nc3sccn23)nc1O ZINC000917027024 737737432 /nfs/dbraw/zinc/73/74/32/737737432.db2.gz ZGPBAAFUQUUMNG-UHFFFAOYSA-N -1 3 351.395 2.708 20 30 FFEDHM CCS(=O)(=O)[N-]c1ccc(N=Cc2c(O)cccc2OC)cc1OC ZINC000917558452 737764264 /nfs/dbraw/zinc/76/42/64/737764264.db2.gz QEDUFXXGPZFPFJ-UHFFFAOYSA-N -1 3 364.423 2.922 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H](C)CC[C@@H]2CC)ccc1F ZINC000772446076 737813178 /nfs/dbraw/zinc/81/31/78/737813178.db2.gz ROOVZSLGVHXDEE-JSGCOSHPSA-N -1 3 354.447 2.693 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000773058851 737867089 /nfs/dbraw/zinc/86/70/89/737867089.db2.gz VDJWWXWEYHCGCY-VXGBXAGGSA-N -1 3 367.776 2.818 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(F)c(F)c1 ZINC000773383732 737901107 /nfs/dbraw/zinc/90/11/07/737901107.db2.gz ACXRWXQSXUELBJ-HNNXBMFYSA-N -1 3 370.352 2.642 20 30 FFEDHM C=CCN(C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(C)C ZINC000920939708 737936337 /nfs/dbraw/zinc/93/63/37/737936337.db2.gz UFVSRQUMXMBTLI-UHFFFAOYSA-N -1 3 355.460 2.885 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2ccccc2C(F)(F)F)c1[O-] ZINC000920990733 737938308 /nfs/dbraw/zinc/93/83/08/737938308.db2.gz AUFJWCRGMNLNQD-HMBXTHQTSA-N -1 3 354.328 2.759 20 30 FFEDHM C=C[C@H](CC)OC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000776105418 738161873 /nfs/dbraw/zinc/16/18/73/738161873.db2.gz WTTDGRRFFYMYTI-HIFRSBDPSA-N -1 3 364.467 2.648 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1CCCO1 ZINC000795930630 740081892 /nfs/dbraw/zinc/08/18/92/740081892.db2.gz IDWKCYZPTXLTNH-NWDGAFQWSA-N -1 3 367.776 2.818 20 30 FFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(C)C ZINC000798472075 740335922 /nfs/dbraw/zinc/33/59/22/740335922.db2.gz GCDSJQUOAHRXOI-LBPRGKRZSA-N -1 3 364.250 2.716 20 30 FFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000810100891 741386139 /nfs/dbraw/zinc/38/61/39/741386139.db2.gz XAMPLFUTCUBSGY-LLVKDONJSA-N -1 3 356.812 2.963 20 30 FFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccc(Cl)cc1 ZINC000811187499 741492219 /nfs/dbraw/zinc/49/22/19/741492219.db2.gz HUHWECQQCXWXIS-NSHDSACASA-N -1 3 358.781 2.779 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C3CC3)C2)ccc1F ZINC000813843180 741768136 /nfs/dbraw/zinc/76/81/36/741768136.db2.gz IAZKDANJBZTTKJ-OAHLLOKOSA-N -1 3 366.458 2.552 20 30 FFEDHM CCC(CC)N(CC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813857481 741769119 /nfs/dbraw/zinc/76/91/19/741769119.db2.gz VCCKYCRUKUSECV-CYBMUJFWSA-N -1 3 365.499 2.541 20 30 FFEDHM C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000993769901 741840145 /nfs/dbraw/zinc/84/01/45/741840145.db2.gz CDASHXZOLQFOHM-TZMCWYRMSA-N -1 3 364.873 2.995 20 30 FFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCOc2c(Cl)cccc21 ZINC000814816496 741867392 /nfs/dbraw/zinc/86/73/92/741867392.db2.gz PAISGJVONHAVNJ-UHFFFAOYSA-N -1 3 350.827 2.946 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1COc2ccc(Cl)cc21 ZINC000814858554 741870398 /nfs/dbraw/zinc/87/03/98/741870398.db2.gz BLGGPYTTXAZZEV-UHFFFAOYSA-N -1 3 350.827 2.599 20 30 FFEDHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816754356 742058856 /nfs/dbraw/zinc/05/88/56/742058856.db2.gz BSAFWBKRGGPYPL-AWEZNQCLSA-N -1 3 359.451 2.845 20 30 FFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000816758897 742059650 /nfs/dbraw/zinc/05/96/50/742059650.db2.gz ZYEYQQMQVLZFHH-AWEZNQCLSA-N -1 3 352.818 2.771 20 30 FFEDHM C=CCC(C)(C)CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000817456703 742148408 /nfs/dbraw/zinc/14/84/08/742148408.db2.gz CJJDEVBZOMSWMV-GFCCVEGCSA-N -1 3 373.906 2.510 20 30 FFEDHM CC(C)c1ccc(-c2nc(CC(=O)N[C@@H]3CCN([O-])C3=O)cs2)cc1 ZINC000820120927 742465314 /nfs/dbraw/zinc/46/53/14/742465314.db2.gz UNFBJYGNYFINTE-OAHLLOKOSA-N -1 3 359.451 2.582 20 30 FFEDHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820143429 742467528 /nfs/dbraw/zinc/46/75/28/742467528.db2.gz IPKKYUASBAVCMK-NSHDSACASA-N -1 3 370.192 2.677 20 30 FFEDHM C=CCO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000837042857 746355621 /nfs/dbraw/zinc/35/56/21/746355621.db2.gz GOAUENVNSIYHLF-BENRWUELSA-N -1 3 368.505 2.963 20 30 FFEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCC[C@H](C#N)C2)ccc1F ZINC000839444384 746829564 /nfs/dbraw/zinc/82/95/64/746829564.db2.gz DPZHZJLXTMOCFR-JSGCOSHPSA-N -1 3 368.430 2.752 20 30 FFEDHM C=CCn1c(=O)[n-]nc1SCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000840199088 747035766 /nfs/dbraw/zinc/03/57/66/747035766.db2.gz GJBVNLSHZATVMN-GFCCVEGCSA-N -1 3 354.476 2.909 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cn1cc(Br)cn1 ZINC000845839693 748335275 /nfs/dbraw/zinc/33/52/75/748335275.db2.gz VRWYVEOGQOHFTB-CQSZACIVSA-N -1 3 372.222 2.655 20 30 FFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000846537308 748498315 /nfs/dbraw/zinc/49/83/15/748498315.db2.gz JYDLUGBPSZJBGC-OAHLLOKOSA-N -1 3 363.483 2.562 20 30 FFEDHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135103 748851418 /nfs/dbraw/zinc/85/14/18/748851418.db2.gz KKBILTOTWYILMC-GFCCVEGCSA-N -1 3 367.377 2.507 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823903519 946509377 /nfs/dbraw/zinc/50/93/77/946509377.db2.gz CGXURHYYXALYJC-UHFFFAOYSA-N -1 3 370.388 2.539 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823903519 946509388 /nfs/dbraw/zinc/50/93/88/946509388.db2.gz CGXURHYYXALYJC-UHFFFAOYSA-N -1 3 370.388 2.539 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823903505 946510380 /nfs/dbraw/zinc/51/03/80/946510380.db2.gz BXMQUUKSKTWFLX-CQSZACIVSA-N -1 3 366.425 2.961 20 30 FFEDHM C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823903505 946510389 /nfs/dbraw/zinc/51/03/89/946510389.db2.gz BXMQUUKSKTWFLX-CQSZACIVSA-N -1 3 366.425 2.961 20 30 FFEDHM C#CCOc1cccc(NC(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)c1 ZINC001573287608 946842714 /nfs/dbraw/zinc/84/27/14/946842714.db2.gz DSLGVHLOVOKZPD-UHFFFAOYSA-N -1 3 369.331 2.609 20 30 FFEDHM C#CCOc1cccc(NC(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)c1 ZINC001573287608 946842724 /nfs/dbraw/zinc/84/27/24/946842724.db2.gz DSLGVHLOVOKZPD-UHFFFAOYSA-N -1 3 369.331 2.609 20 30 FFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C=Cc1ccccc1C#N ZINC001573551282 946870633 /nfs/dbraw/zinc/87/06/33/946870633.db2.gz ILTALZAASFBESS-CLFYSBASSA-N -1 3 358.361 2.593 20 30 FFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C=Cc1ccccc1C#N ZINC001573551282 946870650 /nfs/dbraw/zinc/87/06/50/946870650.db2.gz ILTALZAASFBESS-CLFYSBASSA-N -1 3 358.361 2.593 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573293190 946950773 /nfs/dbraw/zinc/95/07/73/946950773.db2.gz NYTANNYICRPTNS-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573293190 946950774 /nfs/dbraw/zinc/95/07/74/946950774.db2.gz NYTANNYICRPTNS-STQMWFEESA-N -1 3 357.462 2.559 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2CCC)CC1 ZINC001573295227 947011833 /nfs/dbraw/zinc/01/18/33/947011833.db2.gz BHFCGNFNJFPOJT-UHFFFAOYSA-N -1 3 350.430 2.692 20 30 FFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2CCC)CC1 ZINC001573295227 947011840 /nfs/dbraw/zinc/01/18/40/947011840.db2.gz BHFCGNFNJFPOJT-UHFFFAOYSA-N -1 3 350.430 2.692 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573298411 947075206 /nfs/dbraw/zinc/07/52/06/947075206.db2.gz DHTDTGRMDXRUMW-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=C(C)CCC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573298411 947075218 /nfs/dbraw/zinc/07/52/18/947075218.db2.gz DHTDTGRMDXRUMW-CYBMUJFWSA-N -1 3 358.421 2.765 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)[C@H]1C ZINC001573305021 947148355 /nfs/dbraw/zinc/14/83/55/947148355.db2.gz KXOUNTAEUARJBH-UKRRQHHQSA-N -1 3 369.473 2.574 20 30 FFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)[C@H]1C ZINC001573305021 947148363 /nfs/dbraw/zinc/14/83/63/947148363.db2.gz KXOUNTAEUARJBH-UKRRQHHQSA-N -1 3 369.473 2.574 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573306303 947169165 /nfs/dbraw/zinc/16/91/65/947169165.db2.gz JNXMMOHXFXQAFF-OALUTQOASA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573306303 947169180 /nfs/dbraw/zinc/16/91/80/947169180.db2.gz JNXMMOHXFXQAFF-OALUTQOASA-N -1 3 369.473 2.515 20 30 FFEDHM C=CC1(CC(=O)NC[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001573314561 947233763 /nfs/dbraw/zinc/23/37/63/947233763.db2.gz CXSRSAZJQRMWJO-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CC1(CC(=O)NC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001573314561 947233775 /nfs/dbraw/zinc/23/37/75/947233775.db2.gz CXSRSAZJQRMWJO-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573334341 947455089 /nfs/dbraw/zinc/45/50/89/947455089.db2.gz MHVKGIKPRCQZSU-MRXNPFEDSA-N -1 3 369.473 2.801 20 30 FFEDHM C=CCCCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573334341 947455096 /nfs/dbraw/zinc/45/50/96/947455096.db2.gz MHVKGIKPRCQZSU-MRXNPFEDSA-N -1 3 369.473 2.801 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccns1 ZINC001573340852 947522282 /nfs/dbraw/zinc/52/22/82/947522282.db2.gz BSPXWIRRVCYKMH-GFCCVEGCSA-N -1 3 369.454 2.782 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccns1 ZINC001573340852 947522293 /nfs/dbraw/zinc/52/22/93/947522293.db2.gz BSPXWIRRVCYKMH-GFCCVEGCSA-N -1 3 369.454 2.782 20 30 FFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(F)cc(C#N)cc1F ZINC000826254054 947730927 /nfs/dbraw/zinc/73/09/27/947730927.db2.gz RILIFDPTVLLUHR-UHFFFAOYSA-N -1 3 355.304 2.682 20 30 FFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(F)cc(C#N)cc1F ZINC000826254054 947730932 /nfs/dbraw/zinc/73/09/32/947730932.db2.gz RILIFDPTVLLUHR-UHFFFAOYSA-N -1 3 355.304 2.682 20 30 FFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401030 948219424 /nfs/dbraw/zinc/21/94/24/948219424.db2.gz NMSKCSADNCRDMQ-ALCCZGGFSA-N -1 3 352.325 2.673 20 30 FFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401030 948219432 /nfs/dbraw/zinc/21/94/32/948219432.db2.gz NMSKCSADNCRDMQ-ALCCZGGFSA-N -1 3 352.325 2.673 20 30 FFEDHM N#Cc1cc(Cl)nc(-n2[n-]c3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000871954367 1013122180 /nfs/dbraw/zinc/12/21/80/1013122180.db2.gz IPPUDUPNBPBUJP-OAHLLOKOSA-N -1 3 365.824 2.831 20 30 FFEDHM O=C1[C@H](NCc2cc3ccccc3nc2N2CCCCC2)CCCN1[O-] ZINC000895167661 968050843 /nfs/dbraw/zinc/05/08/43/968050843.db2.gz ZXERYQHCMOLSRQ-GOSISDBHSA-N -1 3 354.454 2.695 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C2(c3ccccn3)CC2)c(C)c1[O-] ZINC001176803741 1013777396 /nfs/dbraw/zinc/77/73/96/1013777396.db2.gz UQVAWGFFODIAPL-UHFFFAOYSA-N -1 3 365.389 2.814 20 30 FFEDHM N#Cc1cc(F)ccc1COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000728623531 969226931 /nfs/dbraw/zinc/22/69/31/969226931.db2.gz JATSUKBFDMTLIH-KRWDZBQOSA-N -1 3 368.364 2.751 20 30 FFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000665395629 970719380 /nfs/dbraw/zinc/71/93/80/970719380.db2.gz OWHJWADWDPNSJN-QFBILLFUSA-N -1 3 371.481 2.995 20 30 FFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000665395630 970719465 /nfs/dbraw/zinc/71/94/65/970719465.db2.gz OWHJWADWDPNSJN-VQIMIIECSA-N -1 3 371.481 2.995 20 30 FFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccc(C)cc1 ZINC000125533145 974735778 /nfs/dbraw/zinc/73/57/78/974735778.db2.gz XGVRNMFKCDUEBT-QGZVFWFLSA-N -1 3 359.389 2.845 20 30 FFEDHM C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898810553 976694375 /nfs/dbraw/zinc/69/43/75/976694375.db2.gz BMELREBXVZCFOL-QGZVFWFLSA-N -1 3 367.453 2.549 20 30 FFEDHM C#C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1F ZINC000796601428 1014561092 /nfs/dbraw/zinc/56/10/92/1014561092.db2.gz SCFZBUBBZQQYQX-HNNXBMFYSA-N -1 3 371.755 2.859 20 30 FFEDHM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c1 ZINC000760197348 980200908 /nfs/dbraw/zinc/20/09/08/980200908.db2.gz JILYUDMJYTWXIY-KRWDZBQOSA-N -1 3 365.389 2.836 20 30 FFEDHM C=CCCC[C@H]1NC(=O)N(c2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1=O ZINC000905014004 980366732 /nfs/dbraw/zinc/36/67/32/980366732.db2.gz YLDXBEPWWPLYLN-OAHLLOKOSA-N -1 3 352.394 2.939 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1OC ZINC001299199409 981198877 /nfs/dbraw/zinc/19/88/77/981198877.db2.gz SCULHRKHWAQGHU-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1OC ZINC001299199409 981198880 /nfs/dbraw/zinc/19/88/80/981198880.db2.gz SCULHRKHWAQGHU-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCC[C@@H](NC(=O)NCC(C)(C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908807172 981541267 /nfs/dbraw/zinc/54/12/67/981541267.db2.gz NHRDRYKIGZAFNZ-QGZVFWFLSA-N -1 3 359.470 2.542 20 30 FFEDHM C=CCCC[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908885286 981564434 /nfs/dbraw/zinc/56/44/34/981564434.db2.gz WANWMYYPVSMVJZ-JQHSSLGASA-N -1 3 359.470 2.931 20 30 FFEDHM C#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000761058035 984737148 /nfs/dbraw/zinc/73/71/48/984737148.db2.gz ZJQKMHSPSUPCKA-UHFFFAOYSA-N -1 3 373.430 2.985 20 30 FFEDHM N#CC1(c2ccccn2)CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878558497 1015100936 /nfs/dbraw/zinc/10/09/36/1015100936.db2.gz ZZIKUCRQHFPQOJ-UHFFFAOYSA-N -1 3 361.405 2.895 20 30 FFEDHM C=CCn1cccc1C(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000993763853 989411099 /nfs/dbraw/zinc/41/10/99/989411099.db2.gz YHCIVDSOBYAPBV-HZPDHXFCSA-N -1 3 367.449 2.518 20 30 FFEDHM CCCc1c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1ccccc1C ZINC000879374431 1015503421 /nfs/dbraw/zinc/50/34/21/1015503421.db2.gz FCJHGMZSGIDOQK-CQSZACIVSA-N -1 3 371.441 2.635 20 30 FFEDHM COc1ccccc1C=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000916320974 989777117 /nfs/dbraw/zinc/77/71/17/989777117.db2.gz PYWHIYXSMGPNSE-INIZCTEOSA-N -1 3 368.418 2.970 20 30 FFEDHM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000916930648 990034574 /nfs/dbraw/zinc/03/45/74/990034574.db2.gz GBRDQSNAXJLPDU-OAHLLOKOSA-N -1 3 354.362 2.674 20 30 FFEDHM CCOC(=O)C[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1cccc(OC)c1 ZINC000917556855 990242708 /nfs/dbraw/zinc/24/27/08/990242708.db2.gz PJDBWBDFTHBNIA-NMONLQQWSA-N -1 3 372.421 2.710 20 30 FFEDHM CCCC(C)=CC([O-])=C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000920323242 990834206 /nfs/dbraw/zinc/83/42/06/990834206.db2.gz HAUKCCMSYZVVAR-VNKGSWCUSA-N -1 3 373.365 2.760 20 30 FFEDHM C#Cc1cccc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000920925853 990934677 /nfs/dbraw/zinc/93/46/77/990934677.db2.gz ARHHETOQNPHJPT-UHFFFAOYSA-N -1 3 358.401 2.693 20 30 FFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1[O-] ZINC000920990806 990944393 /nfs/dbraw/zinc/94/43/93/990944393.db2.gz DQBGFSWHFLJJPC-PFHZTYADSA-N -1 3 363.458 2.796 20 30 FFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc3n(n2)CCO3)cc1 ZINC000810533628 994814205 /nfs/dbraw/zinc/81/42/05/994814205.db2.gz RFXBZLWPBOOYRM-WFASDCNBSA-N -1 3 352.394 2.750 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000811184541 995052480 /nfs/dbraw/zinc/05/24/80/995052480.db2.gz QJCYBNRUIYWGOC-UHFFFAOYSA-N -1 3 366.289 2.579 20 30 FFEDHM CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188399 995053921 /nfs/dbraw/zinc/05/39/21/995053921.db2.gz IQVWMSZZNOEKHT-LBPRGKRZSA-N -1 3 354.362 2.847 20 30 FFEDHM C=CCc1cc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc(OC)c1OC ZINC000824155145 996817071 /nfs/dbraw/zinc/81/70/71/996817071.db2.gz YCEMSPWQTXDTGZ-UHFFFAOYSA-N -1 3 371.437 2.901 20 30 FFEDHM CCOc1ccc(N(CCC#N)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001143800134 997683585 /nfs/dbraw/zinc/68/35/85/997683585.db2.gz XMLWRILTIGBALQ-UHFFFAOYSA-N -1 3 356.338 2.655 20 30 FFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000845846172 998666016 /nfs/dbraw/zinc/66/60/16/998666016.db2.gz RQYBPCWWHYFRPO-DZGCQCFKSA-N -1 3 364.367 2.880 20 30 FFEDHM N#Cc1ccc(OCc2ccc(C(=O)OCc3cc(=O)c([O-])co3)o2)cc1 ZINC000736814449 999571429 /nfs/dbraw/zinc/57/14/29/999571429.db2.gz VQLYIULGFYTKDY-UHFFFAOYSA-N -1 3 367.313 2.746 20 30 FFEDHM Cc1ncc(CO)c(/C=N/CC2CCN(C(=O)c3ccccc3)CC2)c1[O-] ZINC000737443288 999601286 /nfs/dbraw/zinc/60/12/86/999601286.db2.gz JDZXYJLYYLKSFH-LPYMAVHISA-N -1 3 367.449 2.559 20 30 FFEDHM O=C1CN(N=Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)[N-]1 ZINC000744810131 999874467 /nfs/dbraw/zinc/87/44/67/999874467.db2.gz LXZACIGGJJUVBL-UHFFFAOYSA-N -1 3 374.740 2.926 20 30 FFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000846549389 1000350464 /nfs/dbraw/zinc/35/04/64/1000350464.db2.gz JWVDZINZYQUCRH-OLZOCXBDSA-N -1 3 368.380 2.763 20 30 FFEDHM CCCCOc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)ccc1OC ZINC000769819067 1000599370 /nfs/dbraw/zinc/59/93/70/1000599370.db2.gz LPTRWKXOHWVKBG-UHFFFAOYSA-N -1 3 370.413 2.702 20 30 FFEDHM COc1cccc(C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)c1[O-] ZINC001148207501 1001063926 /nfs/dbraw/zinc/06/39/26/1001063926.db2.gz FYFHSUURQMTGFN-UHFFFAOYSA-N -1 3 357.749 2.660 20 30 FFEDHM N#Cc1ccc(CNC(=O)COC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786131695 1001543139 /nfs/dbraw/zinc/54/31/39/1001543139.db2.gz PLCPRZUBPYWJJH-UHFFFAOYSA-N -1 3 366.398 2.952 20 30 FFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2c(c1)[C@H](c1ccccc1)CC(=O)N2 ZINC001171365542 1001767909 /nfs/dbraw/zinc/76/79/09/1001767909.db2.gz BTPZPESYOYCWFJ-ODYMNIRHSA-N -1 3 351.406 2.809 20 30 FFEDHM CCc1nc2cc(Br)ccc2c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001171368562 1001946087 /nfs/dbraw/zinc/94/60/87/1001946087.db2.gz JBBZONNWIJBSQI-SDBXPKJASA-N -1 3 365.231 2.603 20 30 FFEDHM N#C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCN1C1CC1 ZINC000746885286 1002298365 /nfs/dbraw/zinc/29/83/65/1002298365.db2.gz FUWVHTWENQUVLD-MRXNPFEDSA-N -1 3 363.417 2.997 20 30 FFEDHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N([O-])Cc1ccccc1Cl ZINC001184283453 1002561309 /nfs/dbraw/zinc/56/13/09/1002561309.db2.gz KRHWVXFGZZAVPV-UHFFFAOYSA-N -1 3 374.828 2.905 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000747032349 1002769651 /nfs/dbraw/zinc/76/96/51/1002769651.db2.gz FCNVZXQVYQIRCY-CROWGAHTSA-N -1 3 370.327 2.639 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ncco2)c(F)c1 ZINC001191828244 1003972838 /nfs/dbraw/zinc/97/28/38/1003972838.db2.gz JOZNVQOMOYTTIY-MRXNPFEDSA-N -1 3 371.393 2.948 20 30 FFEDHM Cc1cc(C(=O)N([O-])C(=N)c2ccccc2N)n(-c2ccccc2F)n1 ZINC001197379130 1004203075 /nfs/dbraw/zinc/20/30/75/1004203075.db2.gz YBJVAVMTANRABS-UHFFFAOYSA-N -1 3 353.357 2.759 20 30 FFEDHM C=CCCCCCCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000806003588 1004214919 /nfs/dbraw/zinc/21/49/19/1004214919.db2.gz MHDZJTNJNOXMHG-UHFFFAOYSA-N -1 3 359.470 2.996 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccc([O-])c(C#N)c1)[C@@H]2C ZINC001193505777 1004505159 /nfs/dbraw/zinc/50/51/59/1004505159.db2.gz IFDXTQCLJTVOPC-CQSZACIVSA-N -1 3 367.453 2.518 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnn(C(C)(C)C)c2)c(C)c1[O-] ZINC001194802095 1004818750 /nfs/dbraw/zinc/81/87/50/1004818750.db2.gz XXPUNIQJYHDELH-UHFFFAOYSA-N -1 3 370.409 2.953 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccnc(OC)c1Cl ZINC001195183227 1004903307 /nfs/dbraw/zinc/90/33/07/1004903307.db2.gz AXGFIDKZMWUQIO-UHFFFAOYSA-N -1 3 351.771 2.716 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(C(=O)N2CCCCC2)cc1 ZINC001195511805 1004983545 /nfs/dbraw/zinc/98/35/45/1004983545.db2.gz FKYRKDMKUUHJPL-UHFFFAOYSA-N -1 3 366.421 2.752 20 30 FFEDHM Cc1nn(CC(F)(F)F)c(C)c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001195583451 1004991723 /nfs/dbraw/zinc/99/17/23/1004991723.db2.gz TVXWXUKXYBMWJB-UHFFFAOYSA-N -1 3 355.320 2.501 20 30 FFEDHM CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1ccc(C#N)cc1[O-])[C@@H]2C ZINC001195740505 1005036980 /nfs/dbraw/zinc/03/69/80/1005036980.db2.gz ADAQVQLXUVIFFK-CQSZACIVSA-N -1 3 367.453 2.518 20 30 FFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000776274312 1005340273 /nfs/dbraw/zinc/34/02/73/1005340273.db2.gz NGBOQIRTVFPKNN-CQSZACIVSA-N -1 3 363.373 2.756 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@]1(=O)CCc2ccccc21 ZINC001134009042 1006095762 /nfs/dbraw/zinc/09/57/62/1006095762.db2.gz DDBMSMIWMUMUGC-SANMLTNESA-N -1 3 369.446 2.818 20 30 FFEDHM CCCCCCCCS(=O)(=O)[N-][C@H](Cc1ccccn1)C(=O)OCC ZINC001188028335 1006385749 /nfs/dbraw/zinc/38/57/49/1006385749.db2.gz BPJUNGSPNWALHC-QGZVFWFLSA-N -1 3 370.515 2.836 20 30 FFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C3CC3)[nH]n2)c(C)c1[O-] ZINC001188395248 1006543314 /nfs/dbraw/zinc/54/33/14/1006543314.db2.gz KTPCZVIATZKVSO-UHFFFAOYSA-N -1 3 354.366 2.602 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ncc(C#N)cc2C)cc1Cl ZINC000815910119 1006822114 /nfs/dbraw/zinc/82/21/14/1006822114.db2.gz PVGZSBYYLSPRMF-ZDUSSCGKSA-N -1 3 368.780 2.885 20 30 FFEDHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)c1 ZINC001189240883 1006969008 /nfs/dbraw/zinc/96/90/08/1006969008.db2.gz DOSGQGLOKNDUDU-UHFFFAOYSA-N -1 3 354.309 2.979 20 30 FFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cnccc1Br ZINC001189573894 1007164334 /nfs/dbraw/zinc/16/43/34/1007164334.db2.gz WCTNMVHKIPRWBP-UHFFFAOYSA-N -1 3 366.196 2.816 20 30 FFEDHM COc1cc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc(OC)c1[O-] ZINC000855305756 1007263149 /nfs/dbraw/zinc/26/31/49/1007263149.db2.gz OOZWWJOIJLSWCO-FQEVSTJZSA-N -1 3 367.405 2.502 20 30 FFEDHM C=C[C@@H]1C[C@@]1(NC(=O)c1cccc(OC(F)(F)F)c1[O-])C(=O)OCC ZINC001189766532 1007264370 /nfs/dbraw/zinc/26/43/70/1007264370.db2.gz WIDAXEPBFQYWON-PSLIRLAXSA-N -1 3 359.300 2.528 20 30 FFEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)c(Cl)c(C#N)c1Cl ZINC001189856200 1007335418 /nfs/dbraw/zinc/33/54/18/1007335418.db2.gz ZCJJHUPTLXONKB-UHFFFAOYSA-N -1 3 357.172 2.714 20 30 FFEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001189887726 1007356773 /nfs/dbraw/zinc/35/67/73/1007356773.db2.gz CBURLNMLSQBMLO-GFCCVEGCSA-N -1 3 351.790 2.712 20 30 FFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(Br)c2)c1 ZINC001190661245 1007722701 /nfs/dbraw/zinc/72/27/01/1007722701.db2.gz PYYOKGGUVGFOIH-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM COc1ncccc1[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C1CC1 ZINC001190677156 1007746867 /nfs/dbraw/zinc/74/68/67/1007746867.db2.gz JYFANUBREXCALQ-MRXNPFEDSA-N -1 3 361.398 2.531 20 30 FFEDHM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)c1ccc(=O)[n-]c1Cl)CCO2 ZINC001190908373 1007844849 /nfs/dbraw/zinc/84/48/49/1007844849.db2.gz PRLZWPAKRMGDJJ-FZKQIMNGSA-N -1 3 366.845 2.655 20 30 FFEDHM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000819234178 1008080198 /nfs/dbraw/zinc/08/01/98/1008080198.db2.gz CWXLTLPTORAVGU-NSHDSACASA-N -1 3 374.401 2.590 20 30 FFEDHM CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000820148073 1008294101 /nfs/dbraw/zinc/29/41/01/1008294101.db2.gz CGWZZBVLOITTER-KRWDZBQOSA-N -1 3 367.409 2.888 20 30 FFEDHM CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820471405 1008338645 /nfs/dbraw/zinc/33/86/45/1008338645.db2.gz VDNQSPULNRCGNK-IBSYWUHOSA-N -1 3 369.421 2.533 20 30 FFEDHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H]3CCCN([O-])C3=O)c2c1 ZINC000820483137 1008340264 /nfs/dbraw/zinc/34/02/64/1008340264.db2.gz ZPRPKKVXAMWZSK-INIZCTEOSA-N -1 3 353.422 2.839 20 30 FFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000820482769 1008340522 /nfs/dbraw/zinc/34/05/22/1008340522.db2.gz RFUYYWGUXDWLAK-SFHVURJKSA-N -1 3 355.438 2.821 20 30 FFEDHM C=C1CCC(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001177326773 1008567880 /nfs/dbraw/zinc/56/78/80/1008567880.db2.gz LNDFBJOZDXTAGD-UHFFFAOYSA-N -1 3 362.904 2.542 20 30 FFEDHM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001179485508 1009349015 /nfs/dbraw/zinc/34/90/15/1009349015.db2.gz QBVWQOBORHRKCC-KUHUBIRLSA-N -1 3 357.410 2.849 20 30 FFEDHM C=CCN1CC[C@]2(CCCN2C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1=O ZINC001274109170 1009404701 /nfs/dbraw/zinc/40/47/01/1009404701.db2.gz KYRMBOAHNDJCGO-QGZVFWFLSA-N -1 3 368.355 2.804 20 30 FFEDHM Cc1ncc(CO)c(/C=N/C2CCN(c3ccccc3C#N)CC2)c1[O-] ZINC000864347489 1010452994 /nfs/dbraw/zinc/45/29/94/1010452994.db2.gz RHYLTARUVSOPOO-FSJBWODESA-N -1 3 350.422 2.548 20 30 FFEDHM COc1cc(C(=O)/C=C\c2cc(C(=O)OC(C)(C)C)nn2C)ccc1[O-] ZINC000865217415 1010748621 /nfs/dbraw/zinc/74/86/21/1010748621.db2.gz LROHPJMNRNNXNU-CLFYSBASSA-N -1 3 358.394 2.986 20 30 FFEDHM N#Cc1ccc(F)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001095189253 1012675346 /nfs/dbraw/zinc/67/53/46/1012675346.db2.gz ZBVHWVFMWRDYKQ-NEWSRXKRSA-N -1 3 365.408 2.938 20 30 FFEDHM Cc1cc(N2C[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@]3(C)C2)c(C#N)cn1 ZINC001052185556 1017335524 /nfs/dbraw/zinc/33/55/24/1017335524.db2.gz LTSIMCSHIVGNKA-IERDGZPVSA-N -1 3 362.433 2.566 20 30 FFEDHM O=C(Nc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1)[C@H]1CCCO1 ZINC000901376640 1019018224 /nfs/dbraw/zinc/01/82/24/1019018224.db2.gz WZXZAMDIUCJBEP-QGZVFWFLSA-N -1 3 358.369 2.975 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1-n1cccn1 ZINC000802953680 1020519125 /nfs/dbraw/zinc/51/91/25/1020519125.db2.gz OUDHZPIYMIJKLI-UHFFFAOYSA-N -1 3 362.389 3.000 20 30 FFEDHM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CNC[C@@H]2C#N)c1 ZINC001218199448 1033046144 /nfs/dbraw/zinc/04/61/44/1033046144.db2.gz AIPYSVXGPQPUJX-VIQOSDIFSA-N -1 3 364.401 2.787 20 30 FFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C(C[C@H]1CCOC1)c1ccccc1 ZINC000753931207 1023401146 /nfs/dbraw/zinc/40/11/46/1023401146.db2.gz CKEYPFIHIUMAGK-GOSISDBHSA-N -1 3 372.490 2.979 20 30 FFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)c1 ZINC000754814688 1023521817 /nfs/dbraw/zinc/52/18/17/1023521817.db2.gz AMUXDMVRQGXZRO-OAHLLOKOSA-N -1 3 353.378 2.839 20 30 FFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(O[C@H]3CCOC3)c2)c1 ZINC000755603221 1023613384 /nfs/dbraw/zinc/61/33/84/1023613384.db2.gz SEACQEIFYUBBCK-DLBZAZTESA-N -1 3 365.389 2.519 20 30 FFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccccc2[C@H](C)C1 ZINC001121533087 1023831812 /nfs/dbraw/zinc/83/18/12/1023831812.db2.gz PKWSTCKIZKQRIN-CQSZACIVSA-N -1 3 362.437 2.793 20 30 FFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001121607281 1023877860 /nfs/dbraw/zinc/87/78/60/1023877860.db2.gz LFJJMBOYMZWARA-DUVNUKRYSA-N -1 3 354.458 2.950 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000079221088 1024222055 /nfs/dbraw/zinc/22/20/55/1024222055.db2.gz FXMJTDOUJNLXGM-KRWDZBQOSA-N -1 3 363.417 2.722 20 30 FFEDHM N#Cc1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)co1 ZINC001124598359 1024349195 /nfs/dbraw/zinc/34/91/95/1024349195.db2.gz LXYMQBOCIKTWSG-UHFFFAOYSA-N -1 3 358.155 2.951 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCOC)c1[O-] ZINC001122191514 1024419562 /nfs/dbraw/zinc/41/95/62/1024419562.db2.gz FMBCMCMTUJYZCF-HNNXBMFYSA-N -1 3 372.469 2.641 20 30 FFEDHM N#Cc1ccc(F)cc1COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000759354580 1024577448 /nfs/dbraw/zinc/57/74/48/1024577448.db2.gz SEOGNPMZKLJYNY-QGZVFWFLSA-N -1 3 368.364 2.751 20 30 FFEDHM COC(=O)n1ncc(C#N)c1[N-]c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158964628 1027207868 /nfs/dbraw/zinc/20/78/68/1027207868.db2.gz DDNNHLPAHGXDLF-UHFFFAOYSA-N -1 3 373.716 2.618 20 30 FFEDHM N#Cc1cc(NC(=O)c2cn3c(n2)CC[C@@H](C(F)(F)F)C3)ccc1[O-] ZINC001153956136 1028085420 /nfs/dbraw/zinc/08/54/20/1028085420.db2.gz IUYRMRAMUNRJPP-SNVBAGLBSA-N -1 3 350.300 2.837 20 30 FFEDHM Cc1c(C(=O)N([O-])Cc2ccccc2Cl)nnn1Cc1ccncc1 ZINC001161807320 1028321422 /nfs/dbraw/zinc/32/14/22/1028321422.db2.gz HJQCZQSKICURJE-UHFFFAOYSA-N -1 3 357.801 2.715 20 30 FFEDHM COc1cccnc1[C@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C1CC1 ZINC001154559875 1028353334 /nfs/dbraw/zinc/35/33/34/1028353334.db2.gz CQTWJDRILAOYCD-LJQANCHMSA-N -1 3 374.400 2.684 20 30 FFEDHM N#Cc1ccc2[n-]c(C(=O)NCCc3ccc4[nH]ccc4c3)cc(=O)c2c1 ZINC001154559945 1028355314 /nfs/dbraw/zinc/35/53/14/1028355314.db2.gz VVDPZDZFQJIODQ-UHFFFAOYSA-N -1 3 356.385 2.854 20 30 FFEDHM C=C(C)CONC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001164450801 1029282825 /nfs/dbraw/zinc/28/28/25/1029282825.db2.gz GXVMNDBYSDXWDO-UHFFFAOYSA-N -1 3 364.398 2.864 20 30 FFEDHM COC(=O)[C@H]1CC[C@H](Nc2nc(SC)nc(Cl)c2/C=N/[O-])CC1 ZINC001157036918 1029445924 /nfs/dbraw/zinc/44/59/24/1029445924.db2.gz VJOUWGDFWXPFGK-OWMRSLDKSA-N -1 3 358.851 2.804 20 30 FFEDHM N#Cc1nccnc1N1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142115101 1030046800 /nfs/dbraw/zinc/04/68/00/1030046800.db2.gz XDXNUXUXUQKFDX-UHFFFAOYSA-N -1 3 364.236 2.683 20 30 FFEDHM N=C(c1ccccc1N)N([O-])C(=O)/C=C/c1ccc(Cn2ccnc2)cc1 ZINC001142370378 1030365279 /nfs/dbraw/zinc/36/52/79/1030365279.db2.gz XLRUZRVVUCEWBH-OVFPEYOOSA-N -1 3 361.405 2.770 20 30 FFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2CC(N)=O)cc1 ZINC000796797585 1030919664 /nfs/dbraw/zinc/91/96/64/1030919664.db2.gz ISKQOLIPXXUOMA-INIZCTEOSA-N -1 3 367.405 2.611 20 30 FFEDHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C1CCCCC1 ZINC001149633525 1031556304 /nfs/dbraw/zinc/55/63/04/1031556304.db2.gz FFHVVANLAKKCHZ-OAHLLOKOSA-N -1 3 350.365 2.888 20 30 FFEDHM Cc1cc(C)n2nc(C(=O)[N-]c3c(C#N)cccc3C(F)(F)F)nc2n1 ZINC001150715725 1031775578 /nfs/dbraw/zinc/77/55/78/1031775578.db2.gz OUQVKMPNJZWZPZ-UHFFFAOYSA-N -1 3 360.299 2.884 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](O/C(=N\[O-])c2ccccn2)CC(F)(F)C1 ZINC001223978765 1033670212 /nfs/dbraw/zinc/67/02/12/1033670212.db2.gz ZQROFYMMAWXWEX-RGWKGUTDSA-N -1 3 357.357 2.879 20 30 FFEDHM N#CCCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(F)c(F)c1[O-] ZINC001276945242 1033712712 /nfs/dbraw/zinc/71/27/12/1033712712.db2.gz JKUZDBCLWQZYPS-LJQANCHMSA-N -1 3 363.408 2.931 20 30 FFEDHM C#CCN1CCC2(CCN(Cc3cc(F)c([O-])c(Cl)c3)CC2)C1=O ZINC001276992025 1033981538 /nfs/dbraw/zinc/98/15/38/1033981538.db2.gz IWQHFKQQQGAHDR-UHFFFAOYSA-N -1 3 350.821 2.632 20 30 FFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CN(C(=O)OC(C)(C)C)CC2(F)F)[n-]1 ZINC001225470626 1034266732 /nfs/dbraw/zinc/26/67/32/1034266732.db2.gz XONSHAQZMSLIAB-GFCCVEGCSA-N -1 3 355.341 2.601 20 30 FFEDHM CC(=NNCc1ccccc1F)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000835010823 1035487277 /nfs/dbraw/zinc/48/72/77/1035487277.db2.gz HTOCAOKHEZROOB-UHFFFAOYSA-N -1 3 357.429 2.877 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2nc3ccc(C(=O)OCC)cc3[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001227706196 1035688310 /nfs/dbraw/zinc/68/83/10/1035688310.db2.gz GGZRMUKLGVZMLE-JKQORVJESA-N -1 3 374.393 2.549 20 30 FFEDHM C=C[C@@H]1O[C@@H](Oc2nc3cc(C(=O)OCC)ccc3[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001227706196 1035688316 /nfs/dbraw/zinc/68/83/16/1035688316.db2.gz GGZRMUKLGVZMLE-JKQORVJESA-N -1 3 374.393 2.549 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228859724 1036363732 /nfs/dbraw/zinc/36/37/32/1036363732.db2.gz ZODZTJVIFNMXTK-SJKOYZFVSA-N -1 3 358.394 2.659 20 30 FFEDHM COC(=O)C[C@H](Oc1ccccc1/C=N/c1ccccc1[O-])C(=O)OC ZINC001229933209 1036985585 /nfs/dbraw/zinc/98/55/85/1036985585.db2.gz NAJWDVPFVCSTRW-RONKMWSCSA-N -1 3 357.362 2.626 20 30 FFEDHM CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234511230 1037066913 /nfs/dbraw/zinc/06/69/13/1037066913.db2.gz MBBMWHRFYQDXKZ-AAEUAGOBSA-N -1 3 374.372 2.543 20 30 FFEDHM C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450931 1037592082 /nfs/dbraw/zinc/59/20/82/1037592082.db2.gz UWPUNFOJBWYVHX-UYAOXDASSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450931 1037592093 /nfs/dbraw/zinc/59/20/93/1037592093.db2.gz UWPUNFOJBWYVHX-UYAOXDASSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562977 1037686735 /nfs/dbraw/zinc/68/67/35/1037686735.db2.gz KXIVMKGKPYUXRZ-AZUAARDMSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562977 1037686738 /nfs/dbraw/zinc/68/67/38/1037686738.db2.gz KXIVMKGKPYUXRZ-AZUAARDMSA-N -1 3 361.438 2.664 20 30 FFEDHM C=CCCC1(C(=O)N[C@@H]2CN(Cc3cc(=O)[n-]c(C4CC4)n3)C[C@H]2C)CC1 ZINC001208515420 1038376142 /nfs/dbraw/zinc/37/61/42/1038376142.db2.gz MKUFHGGTANJLAB-RHSMWYFYSA-N -1 3 370.497 2.743 20 30 FFEDHM N#Cc1ccc(N2CCN(Cc3sc(=O)[n-]c3Cl)CC2)c(F)c1 ZINC001237169927 1038461846 /nfs/dbraw/zinc/46/18/46/1038461846.db2.gz UFCZAKBZKIOOBG-UHFFFAOYSA-N -1 3 352.822 2.835 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(Cl)s1 ZINC001258039643 1039137647 /nfs/dbraw/zinc/13/76/47/1039137647.db2.gz WPNDLUOAPXPVLF-UHFFFAOYSA-N -1 3 356.812 2.861 20 30 FFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1Cl ZINC001258290178 1039300002 /nfs/dbraw/zinc/30/00/02/1039300002.db2.gz JNXWDOPSOKDCOV-UHFFFAOYSA-N -1 3 350.783 2.799 20 30 FFEDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(F)cc1F ZINC001259417412 1039988245 /nfs/dbraw/zinc/98/82/45/1039988245.db2.gz JSMXETSTIJDJGA-UHFFFAOYSA-N -1 3 370.308 2.563 20 30 FFEDHM COc1cc([O-])c(CN2CCC(C#N)CC2)cc1I ZINC001248459493 1040284141 /nfs/dbraw/zinc/28/41/41/1040284141.db2.gz WPOYECPEWDKUKO-UHFFFAOYSA-N -1 3 372.206 2.741 20 30 FFEDHM C=CCCC[C@H]([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(=O)OC ZINC001213735460 1040855908 /nfs/dbraw/zinc/85/59/08/1040855908.db2.gz XPZNQISLGXEBDN-HNNXBMFYSA-N -1 3 359.875 2.700 20 30 FFEDHM C#CCC1([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)CCC1 ZINC001213814439 1040944450 /nfs/dbraw/zinc/94/44/50/1040944450.db2.gz NURIYYRLPWHITM-UHFFFAOYSA-N -1 3 363.460 2.912 20 30 FFEDHM N#CC1([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CCCCCC1 ZINC001261073436 1040980002 /nfs/dbraw/zinc/98/00/02/1040980002.db2.gz FPOSNYJKHZHBMC-UHFFFAOYSA-N -1 3 354.819 2.771 20 30 FFEDHM CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC001215954239 1041916442 /nfs/dbraw/zinc/91/64/42/1041916442.db2.gz LOEISUJPGBEPIM-LBPRGKRZSA-N -1 3 368.821 2.580 20 30 FFEDHM C#CCN1CC[C@]2(CCCN2Cc2cccc(C(F)(F)F)c2[O-])C1=O ZINC001276743824 1042066858 /nfs/dbraw/zinc/06/68/58/1042066858.db2.gz GFAUXNINAQKLSE-QGZVFWFLSA-N -1 3 352.356 2.611 20 30 FFEDHM C=CCOC(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238236401 1043620612 /nfs/dbraw/zinc/62/06/12/1043620612.db2.gz CPCFZSPREUASOH-UHFFFAOYSA-N -1 3 362.401 2.744 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001310374393 1043678389 /nfs/dbraw/zinc/67/83/89/1043678389.db2.gz OTBOATULAWQNHL-UHFFFAOYSA-N -1 3 366.356 2.586 20 30 FFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001310374393 1043678396 /nfs/dbraw/zinc/67/83/96/1043678396.db2.gz OTBOATULAWQNHL-UHFFFAOYSA-N -1 3 366.356 2.586 20 30 FFEDHM C=CCC[C@@H](NC(=O)Nc1n[n-]nc1C(=O)NC1CC1)c1ccccc1 ZINC001311314006 1043882867 /nfs/dbraw/zinc/88/28/67/1043882867.db2.gz JBTYXGRSXJWJFP-CQSZACIVSA-N -1 3 354.414 2.526 20 30 FFEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1 ZINC001319339187 1045116981 /nfs/dbraw/zinc/11/69/81/1045116981.db2.gz REEJVFOFOGEHAM-UHFFFAOYSA-N -1 3 356.382 2.878 20 30 FFEDHM CC(C)CCN1c2ccccc2C(=N[N-]c2nncc(N)c2Cl)C1=O ZINC001319377029 1045128631 /nfs/dbraw/zinc/12/86/31/1045128631.db2.gz IXXZNQLZWRSJHM-UHFFFAOYSA-N -1 3 358.833 2.921 20 30 FFEDHM C=Cn1cc(C=Nn2c(-c3ccc(O)cc3[O-])csc2=NC2CC2)cn1 ZINC001322091793 1045951109 /nfs/dbraw/zinc/95/11/09/1045951109.db2.gz GTEWAAFLRLAXCK-UHFFFAOYSA-N -1 3 367.434 2.870 20 30 FFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccnn1C(C)C ZINC001322445647 1046088131 /nfs/dbraw/zinc/08/81/31/1046088131.db2.gz JWZWGBDQRCHDHX-UHFFFAOYSA-N -1 3 357.439 2.818 20 30 FFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCCOCC3)n2CCOC)c1[O-] ZINC001341793124 1050405844 /nfs/dbraw/zinc/40/58/44/1050405844.db2.gz DKDNVFRLEPSKDB-UHFFFAOYSA-N -1 3 372.469 2.642 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)nc2)cc1OC ZINC001341920375 1050517428 /nfs/dbraw/zinc/51/74/28/1050517428.db2.gz IRIOLICBQDOXAY-GFCCVEGCSA-N -1 3 359.769 2.713 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001342088566 1050684336 /nfs/dbraw/zinc/68/43/36/1050684336.db2.gz PZMPLEVVQGNZMF-GJZGRUSLSA-N -1 3 373.457 2.858 20 30 FFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCC3)c2)cc1 ZINC001342585604 1051192092 /nfs/dbraw/zinc/19/20/92/1051192092.db2.gz WSALGAIKCJUJBN-QGZVFWFLSA-N -1 3 365.389 2.983 20 30 FFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)/C=C\Cl)ccc1F ZINC001303793968 1051449290 /nfs/dbraw/zinc/44/92/90/1051449290.db2.gz FRQTYRDFAFPRIS-FPLPWBNLSA-N -1 3 360.838 2.551 20 30 FFEDHM COC(=O)c1cc(NC(=O)c2ccc(Cl)c(C#N)c2)c([O-])c(OC)c1 ZINC001304505602 1051625892 /nfs/dbraw/zinc/62/58/92/1051625892.db2.gz QVHSGTYCYUEBDV-UHFFFAOYSA-N -1 3 360.753 2.965 20 30 FFEDHM O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)N([O-])CCCCc1ccccc1 ZINC001306896398 1052214931 /nfs/dbraw/zinc/21/49/31/1052214931.db2.gz VUNCQDNXUUUFRH-QZTJIDSGSA-N -1 3 363.454 2.928 20 30 FFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1Cc2ccc(OC)cc2C1 ZINC001343642956 1052352875 /nfs/dbraw/zinc/35/28/75/1052352875.db2.gz ZNWCLYMXBRKBOX-UHFFFAOYSA-N -1 3 353.382 2.744 20 30 FFEDHM C#CCN(CC(=O)OC(C)(C)C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001307909188 1052365111 /nfs/dbraw/zinc/36/51/11/1052365111.db2.gz NXFWLVFUILVWGL-UHFFFAOYSA-N -1 3 353.422 2.626 20 30 FFEDHM C=CCNC(=O)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC001308846086 1052507327 /nfs/dbraw/zinc/50/73/27/1052507327.db2.gz ZSJAOWMHBGZPDW-UHFFFAOYSA-N -1 3 357.366 2.837 20 30 FFEDHM C#C[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2Cc2ccccc2)C1 ZINC001344092201 1052590469 /nfs/dbraw/zinc/59/04/69/1052590469.db2.gz JDTJIIADOMTKIY-INIZCTEOSA-N -1 3 374.448 2.647 20 30 FFEDHM Cc1coc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1C ZINC001346087966 1052741155 /nfs/dbraw/zinc/74/11/55/1052741155.db2.gz NDEMLAAPUIQLRL-OAHLLOKOSA-N -1 3 353.378 2.559 20 30 FFEDHM C=CC[C@@H](C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1)c1ccccc1 ZINC001347670791 1054211056 /nfs/dbraw/zinc/21/10/56/1054211056.db2.gz GRUPEAONWHLGAJ-ZWKOTPCHSA-N -1 3 366.465 2.936 20 30 FFEDHM C=CCC1(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCCC1 ZINC001347827734 1054359003 /nfs/dbraw/zinc/35/90/03/1054359003.db2.gz XFHKTJZMYORSFY-UHFFFAOYSA-N -1 3 354.447 2.950 20 30 FFEDHM C=CCOCCCC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001337375330 1054700480 /nfs/dbraw/zinc/70/04/80/1054700480.db2.gz CFBMCDKHPFMDGC-UHFFFAOYSA-N -1 3 366.219 2.551 20 30 FFEDHM C=CCOCCCC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001337375330 1054700498 /nfs/dbraw/zinc/70/04/98/1054700498.db2.gz CFBMCDKHPFMDGC-UHFFFAOYSA-N -1 3 366.219 2.551 20 30 FFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)OC2(CCCCC2)C1 ZINC001351789283 1055000736 /nfs/dbraw/zinc/00/07/36/1055000736.db2.gz INFNPINBGAMQMK-CYBMUJFWSA-N -1 3 359.430 2.753 20 30 FFEDHM C=CCOCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001350016376 1055584193 /nfs/dbraw/zinc/58/41/93/1055584193.db2.gz BFIHDLMDYHJIDC-UHFFFAOYSA-N -1 3 358.769 2.625 20 30 FFEDHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CC1(C)COC1 ZINC001339418941 1056432281 /nfs/dbraw/zinc/43/22/81/1056432281.db2.gz POMHRZVWLRBBQJ-UHFFFAOYSA-N -1 3 371.466 2.919 20 30 FFEDHM C[C@@H](CC#N)N(C)c1nnc(-c2nnc(Cl)[n-]2)n1Cc1cccs1 ZINC001518609479 1058440406 /nfs/dbraw/zinc/44/04/06/1058440406.db2.gz YTRIDHBCSVMKBL-VIFPVBQESA-N -1 3 362.850 2.565 20 30 FFEDHM C[C@@H](CC#N)N(C)c1nnc(-c2n[n-]c(Cl)n2)n1Cc1cccs1 ZINC001518609479 1058440410 /nfs/dbraw/zinc/44/04/10/1058440410.db2.gz YTRIDHBCSVMKBL-VIFPVBQESA-N -1 3 362.850 2.565 20 30 FFEDHM N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1Cl ZINC001450153451 1058985579 /nfs/dbraw/zinc/98/55/79/1058985579.db2.gz CXPAYHLXFPYFER-AWEZNQCLSA-N -1 3 371.780 2.724 20 30 FFEDHM Cc1ccccc1COc1cccc(CC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000848138179 1059114157 /nfs/dbraw/zinc/11/41/57/1059114157.db2.gz KBZQLAZXHSWXSL-IBGZPJMESA-N -1 3 368.433 2.613 20 30 FFEDHM C#C[C@H](C)N(C)c1nnc(CCc2cccc(Cl)c2[O-])n1CCOC ZINC001514883411 1059136177 /nfs/dbraw/zinc/13/61/77/1059136177.db2.gz PDHKMXXZTYWQHA-ZDUSSCGKSA-N -1 3 362.861 2.527 20 30 FFEDHM C#C[C@@H](C)N(C)c1nnc(CCc2cccc(Cl)c2[O-])n1CCOC ZINC001514883410 1059136692 /nfs/dbraw/zinc/13/66/92/1059136692.db2.gz PDHKMXXZTYWQHA-CYBMUJFWSA-N -1 3 362.861 2.527 20 30 FFEDHM N#C[C@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2Cc2cccs2)C1 ZINC001515025359 1059234097 /nfs/dbraw/zinc/23/40/97/1059234097.db2.gz NVPNUZIWFJWRKR-SNVBAGLBSA-N -1 3 374.861 2.566 20 30 FFEDHM N#C[C@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2Cc2cccs2)C1 ZINC001515025359 1059234121 /nfs/dbraw/zinc/23/41/21/1059234121.db2.gz NVPNUZIWFJWRKR-SNVBAGLBSA-N -1 3 374.861 2.566 20 30 FFEDHM COC(=O)c1cn(CC(=O)N([O-])Cc2ccc(F)cc2)c2ccccc12 ZINC001458016171 1060490222 /nfs/dbraw/zinc/49/02/22/1060490222.db2.gz IYUIEUISNZTKBX-UHFFFAOYSA-N -1 3 356.353 2.985 20 30 FFEDHM COC(=O)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)n(-c2ccccc2)n1 ZINC001458015271 1060490509 /nfs/dbraw/zinc/49/05/09/1060490509.db2.gz DJFDJGKEIPPWGD-UHFFFAOYSA-N -1 3 369.352 2.830 20 30 FFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC[C@H]1CCCC1(F)F ZINC001475621863 1061169095 /nfs/dbraw/zinc/16/90/95/1061169095.db2.gz RFWOMUOBHOBKSS-SNVBAGLBSA-N -1 3 359.354 2.570 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)nc1 ZINC001463550455 1062155681 /nfs/dbraw/zinc/15/56/81/1062155681.db2.gz CNFMUAFDPGLFQD-ZDUSSCGKSA-N -1 3 355.341 2.578 20 30 FFEDHM COc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)cnn1-c1ccccc1 ZINC001523875408 1062641641 /nfs/dbraw/zinc/64/16/41/1062641641.db2.gz QWJATMSVXBQKFP-INIZCTEOSA-N -1 3 360.373 2.842 20 30 FFEDHM C=CC1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2CCCOCC)CC1 ZINC001524644029 1062936217 /nfs/dbraw/zinc/93/62/17/1062936217.db2.gz JDWMWNKIBJEQOS-UHFFFAOYSA-N -1 3 365.869 2.546 20 30 FFEDHM C=CC1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2CCCOCC)CC1 ZINC001524644029 1062936244 /nfs/dbraw/zinc/93/62/44/1062936244.db2.gz JDWMWNKIBJEQOS-UHFFFAOYSA-N -1 3 365.869 2.546 20 30 FFEDHM COc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1C#N ZINC001471542976 1064711995 /nfs/dbraw/zinc/71/19/95/1064711995.db2.gz RFKBMNDQHBXVAV-UHFFFAOYSA-N -1 3 369.327 2.617 20 30 FFEDHM COC(=O)c1cc(NC(=O)CCc2ccc(C#N)cc2)c([O-])c(OC)c1 ZINC001472228748 1064978393 /nfs/dbraw/zinc/97/83/93/1064978393.db2.gz VQHGHPDPYNMDFY-UHFFFAOYSA-N -1 3 354.362 2.630 20 30 FFEDHM O=C(CCn1cnc2ccccc2c1=O)N([O-])Cc1ccccc1Cl ZINC001472619095 1065112618 /nfs/dbraw/zinc/11/26/18/1065112618.db2.gz WIZSQHYESPJTGO-UHFFFAOYSA-N -1 3 357.797 2.858 20 30 FFEDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N([O-])Cc1ccccc1Cl ZINC001472619011 1065113320 /nfs/dbraw/zinc/11/33/20/1065113320.db2.gz RXSUYZKBVLIQQW-ZIAGYGMSSA-N -1 3 364.829 2.623 20 30 FFEDHM O=C(Cc1ccccc1S(=O)(=O)C(F)F)N([O-])Cc1ccc(F)cc1 ZINC001472622932 1065114152 /nfs/dbraw/zinc/11/41/52/1065114152.db2.gz QQQQHGGIZYPQMB-UHFFFAOYSA-N -1 3 373.352 2.783 20 30 FFEDHM CN(Cc1cc(C#N)cs1)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001579242831 1078599403 /nfs/dbraw/zinc/59/94/03/1078599403.db2.gz FVGHLZGOWUUPJF-UHFFFAOYSA-N -1 3 374.376 2.550 20 30 FFEDHM CN(Cc1cc(C#N)cs1)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001579242831 1078599406 /nfs/dbraw/zinc/59/94/06/1078599406.db2.gz FVGHLZGOWUUPJF-UHFFFAOYSA-N -1 3 374.376 2.550 20 30 FFEDHM COc1cc(NC(=O)c2c(C)cc(C#N)cc2C)c(F)cc1-c1nnn[n-]1 ZINC001579933572 1078719671 /nfs/dbraw/zinc/71/96/71/1078719671.db2.gz IQQLEBPGDNITOI-UHFFFAOYSA-N -1 3 366.356 2.755 20 30 FFEDHM COc1cc(NC(=O)c2c(C)cc(C#N)cc2C)c(F)cc1-c1nn[n-]n1 ZINC001579933572 1078719678 /nfs/dbraw/zinc/71/96/78/1078719678.db2.gz IQQLEBPGDNITOI-UHFFFAOYSA-N -1 3 366.356 2.755 20 30 FFEDHM Cc1cc(C)c(C#N)c(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC001580891405 1078887945 /nfs/dbraw/zinc/88/79/45/1078887945.db2.gz GSEJBFDVTPROET-UHFFFAOYSA-N -1 3 353.773 2.656 20 30 FFEDHM Cc1cc(C)c(C#N)c(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC001580891405 1078887950 /nfs/dbraw/zinc/88/79/50/1078887950.db2.gz GSEJBFDVTPROET-UHFFFAOYSA-N -1 3 353.773 2.656 20 30 FFEDHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C#CC1CC1 ZINC001581044324 1078909790 /nfs/dbraw/zinc/90/97/90/1078909790.db2.gz UYCWOVPCCKTTIJ-UHFFFAOYSA-N -1 3 360.377 2.714 20 30 FFEDHM N#Cc1cc([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC001581870422 1079010085 /nfs/dbraw/zinc/01/00/85/1079010085.db2.gz AOLRWJTUZWGSSN-UHFFFAOYSA-N -1 3 357.280 2.537 20 30 FFEDHM N#Cc1cc([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC001581870422 1079010096 /nfs/dbraw/zinc/01/00/96/1079010096.db2.gz AOLRWJTUZWGSSN-UHFFFAOYSA-N -1 3 357.280 2.537 20 30 FFEDHM N#Cc1cccc2c1CCCN2C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001581875734 1079013132 /nfs/dbraw/zinc/01/31/32/1079013132.db2.gz MSLMWKKHDZRNDD-UHFFFAOYSA-N -1 3 364.796 2.985 20 30 FFEDHM N#Cc1cccc2c1CCCN2C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001581875734 1079013139 /nfs/dbraw/zinc/01/31/39/1079013139.db2.gz MSLMWKKHDZRNDD-UHFFFAOYSA-N -1 3 364.796 2.985 20 30 FFEDHM Cn1nccc1[C@@H]1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CC(=O)N1C1CC1 ZINC001548533198 1073434570 /nfs/dbraw/zinc/43/45/70/1073434570.db2.gz OCZUEBVVRGCDIW-PHJHEXBDSA-N -1 3 358.829 2.703 20 30 FFEDHM CC(C)Cc1ccc([C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N(C)C)cc1 ZINC001573539473 1077733205 /nfs/dbraw/zinc/73/32/05/1077733205.db2.gz LUKLIJJVMKJZNS-FXAWDEMLSA-N -1 3 359.470 2.609 20 30 FFEDHM Brc1cscc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001588325197 1079984070 /nfs/dbraw/zinc/98/40/70/1079984070.db2.gz UWTFMRTWDZBPPQ-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM Brc1cscc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001588325197 1079984076 /nfs/dbraw/zinc/98/40/76/1079984076.db2.gz UWTFMRTWDZBPPQ-UHFFFAOYSA-N -1 3 363.244 2.814 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1)C(C)C ZINC001588329275 1079985197 /nfs/dbraw/zinc/98/51/97/1079985197.db2.gz CBSGBXMQVLAJGL-LLVKDONJSA-N -1 3 368.319 2.545 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1)C(C)C ZINC001588329275 1079985202 /nfs/dbraw/zinc/98/52/02/1079985202.db2.gz CBSGBXMQVLAJGL-LLVKDONJSA-N -1 3 368.319 2.545 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1ccccc1 ZINC001588330352 1079987322 /nfs/dbraw/zinc/98/73/22/1079987322.db2.gz ZRBIJNDXMDWGHC-CQSZACIVSA-N -1 3 354.320 2.641 20 30 FFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1ccccc1 ZINC001588330352 1079987329 /nfs/dbraw/zinc/98/73/29/1079987329.db2.gz ZRBIJNDXMDWGHC-CQSZACIVSA-N -1 3 354.320 2.641 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC001588335550 1079989176 /nfs/dbraw/zinc/98/91/76/1079989176.db2.gz QSHVCEAJGLFAAB-LLVKDONJSA-N -1 3 374.242 2.505 20 30 FFEDHM C#CC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC001588335550 1079989179 /nfs/dbraw/zinc/98/91/79/1079989179.db2.gz QSHVCEAJGLFAAB-LLVKDONJSA-N -1 3 374.242 2.505 20 30 FFEDHM C#CC[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001588337753 1079989979 /nfs/dbraw/zinc/98/99/79/1079989979.db2.gz WBRASTJIPLRPRU-SECBINFHSA-N -1 3 358.327 2.682 20 30 FFEDHM C#CC[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)c(F)c(F)cc32)C1 ZINC001588337753 1079989987 /nfs/dbraw/zinc/98/99/87/1079989987.db2.gz WBRASTJIPLRPRU-SECBINFHSA-N -1 3 358.327 2.682 20 30 FFEDHM C#CCN(CC)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001588350279 1079991779 /nfs/dbraw/zinc/99/17/79/1079991779.db2.gz MOYMFPYVMKQLFA-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM C#CCN(CC)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001588350279 1079991785 /nfs/dbraw/zinc/99/17/85/1079991785.db2.gz MOYMFPYVMKQLFA-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588351807 1079992159 /nfs/dbraw/zinc/99/21/59/1079992159.db2.gz LJCPJFUAQCCWQU-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588351807 1079992164 /nfs/dbraw/zinc/99/21/64/1079992164.db2.gz LJCPJFUAQCCWQU-UHFFFAOYSA-N -1 3 362.393 2.543 20 30 FFEDHM C#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)c1 ZINC001588363082 1079993380 /nfs/dbraw/zinc/99/33/80/1079993380.db2.gz JHUCAORAWNHHNF-ZWKOTPCHSA-N -1 3 359.389 2.621 20 30 FFEDHM C#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)c1 ZINC001588363082 1079993388 /nfs/dbraw/zinc/99/33/88/1079993388.db2.gz JHUCAORAWNHHNF-ZWKOTPCHSA-N -1 3 359.389 2.621 20 30 FFEDHM C#CCSc1ccc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588364026 1079993646 /nfs/dbraw/zinc/99/36/46/1079993646.db2.gz OBNKLQOPHPYEQG-UHFFFAOYSA-N -1 3 364.430 2.878 20 30 FFEDHM C#CCSc1ccc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588364026 1079993651 /nfs/dbraw/zinc/99/36/51/1079993651.db2.gz OBNKLQOPHPYEQG-UHFFFAOYSA-N -1 3 364.430 2.878 20 30 FFEDHM C#Cc1ccccc1CC(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001588375126 1079998059 /nfs/dbraw/zinc/99/80/59/1079998059.db2.gz GHONJXCZZQUNGL-UHFFFAOYSA-N -1 3 357.417 2.976 20 30 FFEDHM C#Cc1ccccc1CC(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001588375126 1079998066 /nfs/dbraw/zinc/99/80/66/1079998066.db2.gz GHONJXCZZQUNGL-UHFFFAOYSA-N -1 3 357.417 2.976 20 30 FFEDHM C#CC[C@H](Cc1ccccc1)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588395062 1080007425 /nfs/dbraw/zinc/00/74/25/1080007425.db2.gz PBIFPFQAUAYWOZ-WBVHZDCISA-N -1 3 368.458 2.776 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001588412015 1080016190 /nfs/dbraw/zinc/01/61/90/1080016190.db2.gz PRSLVINMWSMWIR-UHFFFAOYSA-N -1 3 358.421 2.765 20 30 FFEDHM C=C(C)CCC(=O)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001588412015 1080016200 /nfs/dbraw/zinc/01/62/00/1080016200.db2.gz PRSLVINMWSMWIR-UHFFFAOYSA-N -1 3 358.421 2.765 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001588429707 1080026062 /nfs/dbraw/zinc/02/60/62/1080026062.db2.gz MWJQIEJABYKECB-OKILXGFUSA-N -1 3 364.457 2.794 20 30 FFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001588429707 1080026069 /nfs/dbraw/zinc/02/60/69/1080026069.db2.gz MWJQIEJABYKECB-OKILXGFUSA-N -1 3 364.457 2.794 20 30 FFEDHM C=C1CC(C)(C(=O)NCCN(CCC)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588454150 1080030769 /nfs/dbraw/zinc/03/07/69/1080030769.db2.gz MHZZXGCCTFDPHX-UHFFFAOYSA-N -1 3 372.448 2.695 20 30 FFEDHM C=C1CC(C)(C(=O)NCCN(CCC)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588454150 1080030776 /nfs/dbraw/zinc/03/07/76/1080030776.db2.gz MHZZXGCCTFDPHX-UHFFFAOYSA-N -1 3 372.448 2.695 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCN(CCC)c1nc(C)ccc1-c1nnn[n-]1 ZINC001588484027 1080049095 /nfs/dbraw/zinc/04/90/95/1080049095.db2.gz WTWHJVQCKQNXCW-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CC(C)(C)CC(=O)NCCN(CCC)c1nc(C)ccc1-c1nn[n-]n1 ZINC001588484027 1080049104 /nfs/dbraw/zinc/04/91/04/1080049104.db2.gz WTWHJVQCKQNXCW-UHFFFAOYSA-N -1 3 371.489 2.505 20 30 FFEDHM C=CC(C)(C)CCNC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588487311 1080050280 /nfs/dbraw/zinc/05/02/80/1080050280.db2.gz QBVCYHSEQGWPEA-AWEZNQCLSA-N -1 3 372.448 2.551 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588487090 1080050333 /nfs/dbraw/zinc/05/03/33/1080050333.db2.gz PSOISUFQBGBGNU-HDJSIYSDSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588487090 1080050344 /nfs/dbraw/zinc/05/03/44/1080050344.db2.gz PSOISUFQBGBGNU-HDJSIYSDSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001588487978 1080051586 /nfs/dbraw/zinc/05/15/86/1080051586.db2.gz WESGPBMEDBSIPP-TZMCWYRMSA-N -1 3 372.448 2.549 20 30 FFEDHM C=CC(C)(C)CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001588487978 1080051600 /nfs/dbraw/zinc/05/16/00/1080051600.db2.gz WESGPBMEDBSIPP-TZMCWYRMSA-N -1 3 372.448 2.549 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001588491883 1080053579 /nfs/dbraw/zinc/05/35/79/1080053579.db2.gz LOEDDCVPDPSRBT-LIRRHRJNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001588491883 1080053588 /nfs/dbraw/zinc/05/35/88/1080053588.db2.gz LOEDDCVPDPSRBT-LIRRHRJNSA-N -1 3 369.473 2.515 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588491368 1080053656 /nfs/dbraw/zinc/05/36/56/1080053656.db2.gz FYSRFKFKTYOOIH-AUUYWEPGSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588491368 1080053664 /nfs/dbraw/zinc/05/36/64/1080053664.db2.gz FYSRFKFKTYOOIH-AUUYWEPGSA-N -1 3 369.473 2.575 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001588492428 1080053720 /nfs/dbraw/zinc/05/37/20/1080053720.db2.gz RCWNIWQSHRGHFF-KUHUBIRLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001588492428 1080053728 /nfs/dbraw/zinc/05/37/28/1080053728.db2.gz RCWNIWQSHRGHFF-KUHUBIRLSA-N -1 3 369.473 2.657 20 30 FFEDHM C=C[C@H](C)ONC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC001588519338 1080072041 /nfs/dbraw/zinc/07/20/41/1080072041.db2.gz XZRICYIODMEXML-NSHDSACASA-N -1 3 370.438 2.901 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588521553 1080074575 /nfs/dbraw/zinc/07/45/75/1080074575.db2.gz PIRNXKYOHZMNBC-IUDNXUCKSA-N -1 3 369.473 2.703 20 30 FFEDHM C=C[C@H](CC)CC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588521553 1080074582 /nfs/dbraw/zinc/07/45/82/1080074582.db2.gz PIRNXKYOHZMNBC-IUDNXUCKSA-N -1 3 369.473 2.703 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CCCNc2ncccc2-c2nnn[n-]2)CCC1 ZINC001588551875 1080091837 /nfs/dbraw/zinc/09/18/37/1080091837.db2.gz KDKSBZXFDXUIIB-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)N[C@H](C)CCCNc2ncccc2-c2nn[n-]n2)CCC1 ZINC001588551875 1080091844 /nfs/dbraw/zinc/09/18/44/1080091844.db2.gz KDKSBZXFDXUIIB-CQSZACIVSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCC1(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588556059 1080094462 /nfs/dbraw/zinc/09/44/62/1080094462.db2.gz BJDJEQBBUAGLEF-UHFFFAOYSA-N -1 3 372.425 2.552 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588560966 1080098495 /nfs/dbraw/zinc/09/84/95/1080098495.db2.gz WOMPKCPNFPBULQ-XWIAVFTESA-N -1 3 366.469 2.768 20 30 FFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588560966 1080098503 /nfs/dbraw/zinc/09/85/03/1080098503.db2.gz WOMPKCPNFPBULQ-XWIAVFTESA-N -1 3 366.469 2.768 20 30 FFEDHM C=CCCC(=O)N[C@@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC[C@@H]1C ZINC001588571941 1080104384 /nfs/dbraw/zinc/10/43/84/1080104384.db2.gz TZUPUTBMSWHTLL-IFXJQAMLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCC(=O)N[C@@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC[C@@H]1C ZINC001588571941 1080104390 /nfs/dbraw/zinc/10/43/90/1080104390.db2.gz TZUPUTBMSWHTLL-IFXJQAMLSA-N -1 3 369.473 2.705 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001588582220 1080108736 /nfs/dbraw/zinc/10/87/36/1080108736.db2.gz HXBAVZIWXSTPQN-OLZOCXBDSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001588582220 1080108740 /nfs/dbraw/zinc/10/87/40/1080108740.db2.gz HXBAVZIWXSTPQN-OLZOCXBDSA-N -1 3 358.421 2.763 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588587991 1080111000 /nfs/dbraw/zinc/11/10/00/1080111000.db2.gz BEPWEPUHCZSHQD-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588587991 1080111002 /nfs/dbraw/zinc/11/10/02/1080111002.db2.gz BEPWEPUHCZSHQD-GOEBONIOSA-N -1 3 369.473 2.657 20 30 FFEDHM C=CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588628119 1080127580 /nfs/dbraw/zinc/12/75/80/1080127580.db2.gz RPOHQYIUAYSJLP-MAUKXSAKSA-N -1 3 368.485 2.550 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc(C=O)cc1 ZINC001588640478 1080133537 /nfs/dbraw/zinc/13/35/37/1080133537.db2.gz SZPFWAFJWGIREY-ZHACJKMWSA-N -1 3 373.416 2.907 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc(C=O)cc1 ZINC001588640478 1080133542 /nfs/dbraw/zinc/13/35/42/1080133542.db2.gz SZPFWAFJWGIREY-ZHACJKMWSA-N -1 3 373.416 2.907 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC001588641317 1080134699 /nfs/dbraw/zinc/13/46/99/1080134699.db2.gz BWMVZPNUWPNEGZ-IRXDYDNUSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@@H](CC)C1 ZINC001588641317 1080134702 /nfs/dbraw/zinc/13/47/02/1080134702.db2.gz BWMVZPNUWPNEGZ-IRXDYDNUSA-N -1 3 370.457 2.522 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588652075 1080141719 /nfs/dbraw/zinc/14/17/19/1080141719.db2.gz ICHSUYHSAZFWLV-UHFFFAOYSA-N -1 3 359.393 2.958 20 30 FFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588652075 1080141723 /nfs/dbraw/zinc/14/17/23/1080141723.db2.gz ICHSUYHSAZFWLV-UHFFFAOYSA-N -1 3 359.393 2.958 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(C(C)C)n1CC ZINC001588652246 1080142193 /nfs/dbraw/zinc/14/21/93/1080142193.db2.gz QBSRKRKAGSOYMV-UHFFFAOYSA-N -1 3 352.446 2.794 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(C(C)C)n1CC ZINC001588652246 1080142197 /nfs/dbraw/zinc/14/21/97/1080142197.db2.gz QBSRKRKAGSOYMV-UHFFFAOYSA-N -1 3 352.446 2.794 20 30 FFEDHM C=CCOc1ccc(CC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001588689021 1080156216 /nfs/dbraw/zinc/15/62/16/1080156216.db2.gz FJZHKIFSQABMNO-UHFFFAOYSA-N -1 3 361.405 2.516 20 30 FFEDHM C=CCOc1ccc(CC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001588689021 1080156222 /nfs/dbraw/zinc/15/62/22/1080156222.db2.gz FJZHKIFSQABMNO-UHFFFAOYSA-N -1 3 361.405 2.516 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588689849 1080156538 /nfs/dbraw/zinc/15/65/38/1080156538.db2.gz SSPHIRBIKPBIBF-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588689849 1080156541 /nfs/dbraw/zinc/15/65/41/1080156541.db2.gz SSPHIRBIKPBIBF-UHFFFAOYSA-N -1 3 369.356 2.832 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001588696133 1080159842 /nfs/dbraw/zinc/15/98/42/1080159842.db2.gz JUFFKCXDYXHSGO-STQMWFEESA-N -1 3 350.430 2.546 20 30 FFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001588696133 1080159847 /nfs/dbraw/zinc/15/98/47/1080159847.db2.gz JUFFKCXDYXHSGO-STQMWFEESA-N -1 3 350.430 2.546 20 30 FFEDHM CC#CCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588745671 1080178561 /nfs/dbraw/zinc/17/85/61/1080178561.db2.gz AERDMAXYRSLLCX-UHFFFAOYSA-N -1 3 363.381 2.541 20 30 FFEDHM CC#CCN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588745671 1080178564 /nfs/dbraw/zinc/17/85/64/1080178564.db2.gz AERDMAXYRSLLCX-UHFFFAOYSA-N -1 3 363.381 2.541 20 30 FFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cnn(CC2CCC2)c1 ZINC001588777089 1080190438 /nfs/dbraw/zinc/19/04/38/1080190438.db2.gz CRVZHWXGJHZNQE-UHFFFAOYSA-N -1 3 371.836 2.748 20 30 FFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cnn(CC2CCC2)c1 ZINC001588777089 1080190444 /nfs/dbraw/zinc/19/04/44/1080190444.db2.gz CRVZHWXGJHZNQE-UHFFFAOYSA-N -1 3 371.836 2.748 20 30 FFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001588777078 1080190704 /nfs/dbraw/zinc/19/07/04/1080190704.db2.gz BCSQUOMPCUOABR-UHFFFAOYSA-N -1 3 357.418 2.521 20 30 FFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001588777078 1080190710 /nfs/dbraw/zinc/19/07/10/1080190710.db2.gz BCSQUOMPCUOABR-UHFFFAOYSA-N -1 3 357.418 2.521 20 30 FFEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC001588903118 1080251685 /nfs/dbraw/zinc/25/16/85/1080251685.db2.gz KDUWIFHSEZHNII-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC001588903118 1080251695 /nfs/dbraw/zinc/25/16/95/1080251695.db2.gz KDUWIFHSEZHNII-LJQANCHMSA-N -1 3 374.404 2.519 20 30 FFEDHM C[C@@H](C#N)OCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001588934899 1080270685 /nfs/dbraw/zinc/27/06/85/1080270685.db2.gz ZGDDSLLIOWZWRS-ZDUSSCGKSA-N -1 3 363.377 2.619 20 30 FFEDHM C[C@@H](C#N)OCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001588934899 1080270694 /nfs/dbraw/zinc/27/06/94/1080270694.db2.gz ZGDDSLLIOWZWRS-ZDUSSCGKSA-N -1 3 363.377 2.619 20 30 FFEDHM CC(C)(C)[C@](C)(C#N)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001589086270 1080344507 /nfs/dbraw/zinc/34/45/07/1080344507.db2.gz VSJYSNAAVCOIGU-KRWDZBQOSA-N -1 3 358.471 2.544 20 30 FFEDHM CC(C)(C)[C@](C)(C#N)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001589086270 1080344510 /nfs/dbraw/zinc/34/45/10/1080344510.db2.gz VSJYSNAAVCOIGU-KRWDZBQOSA-N -1 3 358.471 2.544 20 30 FFEDHM CC(C)(CC#N)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001589267102 1080454560 /nfs/dbraw/zinc/45/45/60/1080454560.db2.gz IEBLTMHDPGNADK-UHFFFAOYSA-N -1 3 365.344 2.529 20 30 FFEDHM CC(C)(CC#N)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001589267102 1080454565 /nfs/dbraw/zinc/45/45/65/1080454565.db2.gz IEBLTMHDPGNADK-UHFFFAOYSA-N -1 3 365.344 2.529 20 30 FFEDHM CC(C)(NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589316895 1080478872 /nfs/dbraw/zinc/47/88/72/1080478872.db2.gz GNKSLCSCNPLVEN-ZWKOTPCHSA-N -1 3 372.432 2.893 20 30 FFEDHM CC(C)(NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589316895 1080478876 /nfs/dbraw/zinc/47/88/76/1080478876.db2.gz GNKSLCSCNPLVEN-ZWKOTPCHSA-N -1 3 372.432 2.893 20 30 FFEDHM CC(C)CCN(CCC#N)C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001589600699 1080629885 /nfs/dbraw/zinc/62/98/85/1080629885.db2.gz UAFVZPJMWFQCTJ-UHFFFAOYSA-N -1 3 351.414 2.750 20 30 FFEDHM C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001589889534 1080835435 /nfs/dbraw/zinc/83/54/35/1080835435.db2.gz KEXAIOKNWDPQJV-LBPRGKRZSA-N -1 3 355.373 2.602 20 30 FFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC001589897452 1080844835 /nfs/dbraw/zinc/84/48/35/1080844835.db2.gz IOLYFQYZSNKKFA-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC001589897452 1080844842 /nfs/dbraw/zinc/84/48/42/1080844842.db2.gz IOLYFQYZSNKKFA-LLVKDONJSA-N -1 3 350.357 2.695 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001589897000 1080845083 /nfs/dbraw/zinc/84/50/83/1080845083.db2.gz MHXDXICREUIPQS-KBPBESRZSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001589897000 1080845092 /nfs/dbraw/zinc/84/50/92/1080845092.db2.gz MHXDXICREUIPQS-KBPBESRZSA-N -1 3 360.421 2.794 20 30 FFEDHM C[C@H](NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(C#N)cc1 ZINC001589916735 1080858193 /nfs/dbraw/zinc/85/81/93/1080858193.db2.gz CDOSIFDNRLOBDM-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@H](NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(C#N)cc1 ZINC001589916735 1080858198 /nfs/dbraw/zinc/85/81/98/1080858198.db2.gz CDOSIFDNRLOBDM-ZDUSSCGKSA-N -1 3 358.405 2.647 20 30 FFEDHM C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589946479 1080890511 /nfs/dbraw/zinc/89/05/11/1080890511.db2.gz KVRFEXAZIHFDGO-GFCCVEGCSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589946479 1080890518 /nfs/dbraw/zinc/89/05/18/1080890518.db2.gz KVRFEXAZIHFDGO-GFCCVEGCSA-N -1 3 364.434 2.973 20 30 FFEDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccc(C#N)cc1 ZINC001590014277 1080941811 /nfs/dbraw/zinc/94/18/11/1080941811.db2.gz ZZKIMOQCBIPRLB-VIFPVBQESA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@@H](Sc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590032733 1080958094 /nfs/dbraw/zinc/95/80/94/1080958094.db2.gz IDSVFZCCQIYUNN-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@@H](Sc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590032733 1080958096 /nfs/dbraw/zinc/95/80/96/1080958096.db2.gz IDSVFZCCQIYUNN-LLVKDONJSA-N -1 3 350.407 2.858 20 30 FFEDHM C[C@H](c1cccc(C#N)c1)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001590050826 1080979730 /nfs/dbraw/zinc/97/97/30/1080979730.db2.gz UXIBKXIVWVHLRS-CYBMUJFWSA-N -1 3 365.466 2.683 20 30 FFEDHM CC1(O)CCC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC001590150651 1081052155 /nfs/dbraw/zinc/05/21/55/1081052155.db2.gz KMPFDYOESVSLDC-UHFFFAOYSA-N -1 3 354.336 2.978 20 30 FFEDHM CC1(O)CCC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC001590150651 1081052160 /nfs/dbraw/zinc/05/21/60/1081052160.db2.gz KMPFDYOESVSLDC-UHFFFAOYSA-N -1 3 354.336 2.978 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3coc(C#N)c3)c2-c2nnn[n-]2)C1 ZINC001590280182 1081137759 /nfs/dbraw/zinc/13/77/59/1081137759.db2.gz RVEVUVQCNBSSPY-QMMMGPOBSA-N -1 3 354.395 2.770 20 30 FFEDHM C[C@H]1CCc2c(sc(NC(=O)c3coc(C#N)c3)c2-c2nn[n-]n2)C1 ZINC001590280182 1081137760 /nfs/dbraw/zinc/13/77/60/1081137760.db2.gz RVEVUVQCNBSSPY-QMMMGPOBSA-N -1 3 354.395 2.770 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCSc1ccccc1 ZINC000015833466 249324054 /nfs/dbraw/zinc/32/40/54/249324054.db2.gz OUAKBQLKOXFCMZ-UHFFFAOYSA-N -1 3 355.463 2.705 20 30 FFEDHM C[C@@H](CON=C([O-])Nc1ccc(F)c(C#N)c1)NC(=O)OC(C)(C)C ZINC000273408927 252299525 /nfs/dbraw/zinc/29/95/25/252299525.db2.gz PCOCLYCMPVJDCO-JTQLQIEISA-N -1 3 352.366 2.664 20 30 FFEDHM C[C@@H](CO[N-]C(=O)Nc1ccc(F)c(C#N)c1)NC(=O)OC(C)(C)C ZINC000273408927 252299529 /nfs/dbraw/zinc/29/95/29/252299529.db2.gz PCOCLYCMPVJDCO-JTQLQIEISA-N -1 3 352.366 2.664 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1OC ZINC000053525513 221045769 /nfs/dbraw/zinc/04/57/69/221045769.db2.gz DTQYXGCXYMOATP-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1OC ZINC000053525513 221045774 /nfs/dbraw/zinc/04/57/74/221045774.db2.gz DTQYXGCXYMOATP-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM C=CCOc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1OC ZINC000053525513 221045777 /nfs/dbraw/zinc/04/57/77/221045777.db2.gz DTQYXGCXYMOATP-UHFFFAOYSA-N -1 3 351.366 2.692 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000287425174 257088670 /nfs/dbraw/zinc/08/86/70/257088670.db2.gz MKUGWVYVWLSRNU-LLVKDONJSA-N -1 3 364.414 2.999 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000331128798 258177806 /nfs/dbraw/zinc/17/78/06/258177806.db2.gz OJNWHPJNZWGHNT-MRXNPFEDSA-N -1 3 373.453 2.541 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000333057921 258247229 /nfs/dbraw/zinc/24/72/29/258247229.db2.gz RVRIPVUJKNZZEZ-AWEZNQCLSA-N -1 3 353.875 2.507 20 30 FFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Br)cc1 ZINC000235213965 509452348 /nfs/dbraw/zinc/45/23/48/509452348.db2.gz XQXGMXUWKVADHU-SNVBAGLBSA-N -1 3 366.240 2.755 20 30 FFEDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000032435377 506253598 /nfs/dbraw/zinc/25/35/98/506253598.db2.gz NZYLBONXFJNFBY-LLVKDONJSA-N -1 3 361.379 2.515 20 30 FFEDHM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)c1C#N ZINC000410333762 512241412 /nfs/dbraw/zinc/24/14/12/512241412.db2.gz USWKZPBJYCSXJX-UHFFFAOYSA-N -1 3 361.471 2.686 20 30 FFEDHM Cc1cccc([C@@H](CC(=O)Nc2nnc(-c3ccccn3)[n-]2)NC(N)=O)c1 ZINC000053527403 506398345 /nfs/dbraw/zinc/39/83/45/506398345.db2.gz NZDZGKSNCGBWHR-CQSZACIVSA-N -1 3 365.397 2.563 20 30 FFEDHM Cc1cccc([C@@H](CC(=O)Nc2nc(-c3ccccn3)n[n-]2)NC(N)=O)c1 ZINC000053527403 506398353 /nfs/dbraw/zinc/39/83/53/506398353.db2.gz NZDZGKSNCGBWHR-CQSZACIVSA-N -1 3 365.397 2.563 20 30 FFEDHM Cc1cccc([C@@H](CC(=O)Nc2n[n-]c(-c3ccccn3)n2)NC(N)=O)c1 ZINC000053527403 506398363 /nfs/dbraw/zinc/39/83/63/506398363.db2.gz NZDZGKSNCGBWHR-CQSZACIVSA-N -1 3 365.397 2.563 20 30 FFEDHM Cc1cccc(OC[C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000054165765 506503582 /nfs/dbraw/zinc/50/35/82/506503582.db2.gz SUCLBCRCCBRFRM-CQSZACIVSA-N -1 3 367.449 2.688 20 30 FFEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1C ZINC000054727040 506611959 /nfs/dbraw/zinc/61/19/59/506611959.db2.gz IIBRNQYWEVQSMX-HNNXBMFYSA-N -1 3 351.410 2.761 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000044440025 506845162 /nfs/dbraw/zinc/84/51/62/506845162.db2.gz RTTSVFNSAWIYJP-UHFFFAOYSA-N -1 3 359.376 2.733 20 30 FFEDHM Cc1csc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000056005777 506908763 /nfs/dbraw/zinc/90/87/63/506908763.db2.gz KSWBKHUISJCGAW-UHFFFAOYSA-N -1 3 361.370 2.821 20 30 FFEDHM CCOc1ccc(C#N)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000056478333 507025825 /nfs/dbraw/zinc/02/58/25/507025825.db2.gz NIPGYLDGZUYMPY-UHFFFAOYSA-N -1 3 351.322 2.994 20 30 FFEDHM Cc1cnc(C(C)(C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000079753122 507998334 /nfs/dbraw/zinc/99/83/34/507998334.db2.gz KFKDCKXXTQJZRJ-UHFFFAOYSA-N -1 3 358.467 2.612 20 30 FFEDHM COC(=O)Cc1n[n-]c(NC(=O)c2csc(Cc3ccc(C)cc3)n2)n1 ZINC000092352690 508063699 /nfs/dbraw/zinc/06/36/99/508063699.db2.gz ZCKFOJDUQGXGEY-UHFFFAOYSA-N -1 3 371.422 2.512 20 30 FFEDHM COC(=O)Cc1nnc(NC(=O)c2csc(Cc3ccc(C)cc3)n2)[n-]1 ZINC000092352690 508063701 /nfs/dbraw/zinc/06/37/01/508063701.db2.gz ZCKFOJDUQGXGEY-UHFFFAOYSA-N -1 3 371.422 2.512 20 30 FFEDHM CCc1cccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1[O-] ZINC000081777989 508210767 /nfs/dbraw/zinc/21/07/67/508210767.db2.gz IHTRVGPLMNJCSC-UHFFFAOYSA-N -1 3 350.422 2.620 20 30 FFEDHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000152345899 508428850 /nfs/dbraw/zinc/42/88/50/508428850.db2.gz UFJWGRQEYHIHHT-SNVBAGLBSA-N -1 3 352.412 2.699 20 30 FFEDHM CCc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000122000870 508465120 /nfs/dbraw/zinc/46/51/20/508465120.db2.gz FGFPOVRWHXTLLK-LLVKDONJSA-N -1 3 352.316 2.948 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000127563670 508468943 /nfs/dbraw/zinc/46/89/43/508468943.db2.gz VHSJYXYKBSQUHO-CQSZACIVSA-N -1 3 354.859 2.982 20 30 FFEDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156782452 508476251 /nfs/dbraw/zinc/47/62/51/508476251.db2.gz ZCKFLJWBLDMJJZ-UHFFFAOYSA-N -1 3 363.414 2.750 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNc2ccc3ccccc3n2)c(F)c1 ZINC000153169012 508554718 /nfs/dbraw/zinc/55/47/18/508554718.db2.gz DDVABKZATBSOPX-UHFFFAOYSA-N -1 3 370.409 2.636 20 30 FFEDHM COCc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccc1F ZINC000157356061 508556701 /nfs/dbraw/zinc/55/67/01/508556701.db2.gz YRGQNAXWCJFNRB-UHFFFAOYSA-N -1 3 368.817 2.976 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000117165444 508582437 /nfs/dbraw/zinc/58/24/37/508582437.db2.gz JKYXEMNOKUCWJF-MRXNPFEDSA-N -1 3 363.461 2.717 20 30 FFEDHM CC[C@@](C)(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1nccs1 ZINC000154142539 508724641 /nfs/dbraw/zinc/72/46/41/508724641.db2.gz UOCCONWCGNXISK-GOSISDBHSA-N -1 3 358.467 2.694 20 30 FFEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000159079532 508790171 /nfs/dbraw/zinc/79/01/71/508790171.db2.gz TYDMFSHHFAFIKA-BBRMVZONSA-N -1 3 366.483 2.734 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)c(F)c1 ZINC000154609300 508818685 /nfs/dbraw/zinc/81/86/85/508818685.db2.gz JNCOWJFBAFDOSA-UHFFFAOYSA-N -1 3 368.817 2.846 20 30 FFEDHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000124963610 508911013 /nfs/dbraw/zinc/91/10/13/508911013.db2.gz NKSLLMBHAVUMMQ-RYUDHWBXSA-N -1 3 369.468 2.809 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC2(C1)CCCCCC2 ZINC000120049856 508917075 /nfs/dbraw/zinc/91/70/75/508917075.db2.gz QOLMLGFYXLRXSP-UHFFFAOYSA-N -1 3 371.481 2.748 20 30 FFEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000160617062 509010791 /nfs/dbraw/zinc/01/07/91/509010791.db2.gz QJHQVUAAHQNMEF-LURJTMIESA-N -1 3 357.151 2.658 20 30 FFEDHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000125695684 509018099 /nfs/dbraw/zinc/01/80/99/509018099.db2.gz UPLPRMGJEHEXNA-VVYDWRJNSA-N -1 3 374.915 2.570 20 30 FFEDHM CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000125696586 509018153 /nfs/dbraw/zinc/01/81/53/509018153.db2.gz BFWOBWMCGQMYGM-WNDFPBNNSA-N -1 3 374.915 2.570 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1ncc(-c2ccccc2)o1 ZINC000151574437 509046038 /nfs/dbraw/zinc/04/60/38/509046038.db2.gz OEUZCPPPVXIGJK-LBPRGKRZSA-N -1 3 354.391 2.648 20 30 FFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)cc1OC ZINC000161129954 509074853 /nfs/dbraw/zinc/07/48/53/509074853.db2.gz MNCIRHZTZZVZGY-ZDUSSCGKSA-N -1 3 356.419 2.594 20 30 FFEDHM COc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)C#N)cc1Cl ZINC000120884824 509082715 /nfs/dbraw/zinc/08/27/15/509082715.db2.gz RXTZDNUWJJCTEM-UHFFFAOYSA-N -1 3 367.652 2.692 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000120881682 509082807 /nfs/dbraw/zinc/08/28/07/509082807.db2.gz YQUHIHSPQJNDQT-UHFFFAOYSA-N -1 3 355.416 2.744 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2cccc(F)c2C1 ZINC000367313786 512439439 /nfs/dbraw/zinc/43/94/39/512439439.db2.gz ZLSALLIBJPXGIF-UHFFFAOYSA-N -1 3 369.396 2.769 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(COc2ccc(F)cc2)no1 ZINC000121227634 509153288 /nfs/dbraw/zinc/15/32/88/509153288.db2.gz FBJIEIODQGPWIJ-UHFFFAOYSA-N -1 3 368.368 2.750 20 30 FFEDHM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)n1 ZINC000182561928 509304725 /nfs/dbraw/zinc/30/47/25/509304725.db2.gz MGUAJTDJLYPDHO-HNNXBMFYSA-N -1 3 356.389 2.859 20 30 FFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000180066833 509735971 /nfs/dbraw/zinc/73/59/71/509735971.db2.gz QTSIYNANGAFFAQ-UHFFFAOYSA-N -1 3 356.444 2.824 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000170735244 509744871 /nfs/dbraw/zinc/74/48/71/509744871.db2.gz ZTHRNYOEGUKNIC-MRXNPFEDSA-N -1 3 350.827 2.878 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cccs1 ZINC000183399404 509763707 /nfs/dbraw/zinc/76/37/07/509763707.db2.gz AOADGHGAGHSBEN-ZDUSSCGKSA-N -1 3 369.899 2.854 20 30 FFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(O[C@H]2CCOC2)c1 ZINC000183451319 509798652 /nfs/dbraw/zinc/79/86/52/509798652.db2.gz ZVHIZMGYMZQATN-GJZGRUSLSA-N -1 3 362.389 2.626 20 30 FFEDHM CC1(Cn2cc(C(=O)[N-]c3sc4c(c3C#N)CCCCC4)nn2)COC1 ZINC000183711807 509938951 /nfs/dbraw/zinc/93/89/51/509938951.db2.gz DJDGWNFNQXEVTE-UHFFFAOYSA-N -1 3 371.466 2.769 20 30 FFEDHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000177915768 510325083 /nfs/dbraw/zinc/32/50/83/510325083.db2.gz CGZRALSKDWRNBM-MRXNPFEDSA-N -1 3 351.454 2.631 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)c1 ZINC000184901960 510573274 /nfs/dbraw/zinc/57/32/74/510573274.db2.gz MZDBJOYFYGMIEW-OAHLLOKOSA-N -1 3 364.854 2.656 20 30 FFEDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000184985084 510616979 /nfs/dbraw/zinc/61/69/79/510616979.db2.gz GOJZNQZFBKONSY-OAHLLOKOSA-N -1 3 350.827 2.878 20 30 FFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185121390 510696635 /nfs/dbraw/zinc/69/66/35/510696635.db2.gz SHWGNHUPKCSHNG-UHFFFAOYSA-N -1 3 353.831 2.803 20 30 FFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ncccc2Cl)c1 ZINC000185185876 510736568 /nfs/dbraw/zinc/73/65/68/510736568.db2.gz VYDZSQBCWUBKFW-UHFFFAOYSA-N -1 3 372.233 2.617 20 30 FFEDHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000329932870 510881876 /nfs/dbraw/zinc/88/18/76/510881876.db2.gz IYBVSSBKVLIHEM-NSHDSACASA-N -1 3 364.446 2.805 20 30 FFEDHM O=C(N[C@H]1CCO[C@@H]1c1cncc(Br)c1)c1csc(=O)[n-]1 ZINC000329989373 510895157 /nfs/dbraw/zinc/89/51/57/510895157.db2.gz VDMAZZASHZCZIH-GXSJLCMTSA-N -1 3 370.228 2.841 20 30 FFEDHM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000331301771 511059199 /nfs/dbraw/zinc/05/91/99/511059199.db2.gz RRMJNQJDFWVKGE-UHFFFAOYSA-N -1 3 367.515 2.793 20 30 FFEDHM C=CCCN(C)C(=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000297989779 511133600 /nfs/dbraw/zinc/13/36/00/511133600.db2.gz XITNNRAAEYMSBM-UHFFFAOYSA-N -1 3 369.259 2.538 20 30 FFEDHM Cc1ncc(CO)c(C=N[C@H](C)c2ccc(N3CCCNC3=O)cc2)c1[O-] ZINC000291032586 511156836 /nfs/dbraw/zinc/15/68/36/511156836.db2.gz XISDPATXFNRXRC-HJQVIKLGSA-N -1 3 368.437 2.688 20 30 FFEDHM N#CCN(C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000272753784 511507032 /nfs/dbraw/zinc/50/70/32/511507032.db2.gz KGFBXMTZKHCLJJ-LJQANCHMSA-N -1 3 363.417 2.768 20 30 FFEDHM CCCC[C@@H](ON=C(C)C)C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000273502854 511529199 /nfs/dbraw/zinc/52/91/99/511529199.db2.gz POIFJYYDBNGWLK-QGZVFWFLSA-N -1 3 363.458 2.600 20 30 FFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1[O-] ZINC000299285157 511578223 /nfs/dbraw/zinc/57/82/23/511578223.db2.gz ZBBBLFXVEQEDCA-SQWLXVSWSA-N -1 3 355.394 2.725 20 30 FFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C#N)CCC2)ccc1Cl ZINC000299478934 511652716 /nfs/dbraw/zinc/65/27/16/511652716.db2.gz AXXNPRMOBGHHKK-UHFFFAOYSA-N -1 3 369.874 2.593 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000280980511 511676215 /nfs/dbraw/zinc/67/62/15/511676215.db2.gz BHPNFIQMYNWBDF-GOSISDBHSA-N -1 3 367.453 2.696 20 30 FFEDHM CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc(F)cc3nn[n-]c32)cn1 ZINC000328639608 511904156 /nfs/dbraw/zinc/90/41/56/511904156.db2.gz CCPLNSNGHRJMBV-XJKSGUPXSA-N -1 3 358.377 2.538 20 30 FFEDHM CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc(F)cc3[n-]nnc32)cn1 ZINC000328639608 511904160 /nfs/dbraw/zinc/90/41/60/511904160.db2.gz CCPLNSNGHRJMBV-XJKSGUPXSA-N -1 3 358.377 2.538 20 30 FFEDHM CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc(F)cc3n[n-]nc32)cn1 ZINC000328639608 511904163 /nfs/dbraw/zinc/90/41/63/511904163.db2.gz CCPLNSNGHRJMBV-XJKSGUPXSA-N -1 3 358.377 2.538 20 30 FFEDHM C[C@H](NC(=O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000328913449 511949659 /nfs/dbraw/zinc/94/96/59/511949659.db2.gz PNPPTUXKPXMVQK-GUYCJALGSA-N -1 3 370.453 2.659 20 30 FFEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NCC2CCSCC2)NC(=O)[N-]C1=O ZINC000329296688 512022732 /nfs/dbraw/zinc/02/27/32/512022732.db2.gz SZZZWGVQDSQMEX-BLLLJJGKSA-N -1 3 354.476 2.541 20 30 FFEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000329726090 512090857 /nfs/dbraw/zinc/09/08/57/512090857.db2.gz OJSWZYMJFOLMOG-CDGCEXEKSA-N -1 3 372.512 2.575 20 30 FFEDHM Cc1nc(C2([N-]S(=O)(=O)CC3(C#N)CCCCC3)CCCC2)no1 ZINC000408228370 513026886 /nfs/dbraw/zinc/02/68/86/513026886.db2.gz HQEWBDVQSMJFPE-UHFFFAOYSA-N -1 3 352.460 2.541 20 30 FFEDHM N#Cc1c(Br)cccc1NCCNC(=O)c1ccc([O-])cc1 ZINC000439958813 513218815 /nfs/dbraw/zinc/21/88/15/513218815.db2.gz OXZYKSPHLGMBIK-UHFFFAOYSA-N -1 3 360.211 2.868 20 30 FFEDHM N#C[C@@H]1CC[C@H](Sc2nc(C3CC3)nc3c2c(=O)[n-]c(=O)n3C2CC2)C1 ZINC000450782071 513337918 /nfs/dbraw/zinc/33/79/18/513337918.db2.gz VXVZKXDUFDQNNK-SKDRFNHKSA-N -1 3 369.450 2.889 20 30 FFEDHM C=CCCO[C@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421682309 513367431 /nfs/dbraw/zinc/36/74/31/513367431.db2.gz MSBKFQVEKYATFS-MRVPVSSYSA-N -1 3 370.169 2.550 20 30 FFEDHM Cn1[n-]c(=NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1OC(F)F ZINC000429632988 513426695 /nfs/dbraw/zinc/42/66/95/513426695.db2.gz QDQREGYNDOGKLU-UHFFFAOYSA-N -1 3 361.352 2.512 20 30 FFEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cc(CCC)ccc2Cl)nn1 ZINC000425178166 513439993 /nfs/dbraw/zinc/43/99/93/513439993.db2.gz JVCUYCNXRRPVLD-UHFFFAOYSA-N -1 3 354.863 2.549 20 30 FFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429840761 513478689 /nfs/dbraw/zinc/47/86/89/513478689.db2.gz NSEHCTGISDYHDH-VIFPVBQESA-N -1 3 368.680 2.565 20 30 FFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc2c(c1)OCO2 ZINC000435440875 513590502 /nfs/dbraw/zinc/59/05/02/513590502.db2.gz ARXDLQZYXAWMSS-UHFFFAOYSA-N -1 3 364.448 2.605 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)s1 ZINC000435443405 513591997 /nfs/dbraw/zinc/59/19/97/513591997.db2.gz NRNYEDHXSLFZSO-UHFFFAOYSA-N -1 3 367.521 2.866 20 30 FFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000435579283 513624695 /nfs/dbraw/zinc/62/46/95/513624695.db2.gz KEIINEOVUGANCF-HZMBPMFUSA-N -1 3 360.819 2.508 20 30 FFEDHM N#Cc1cccc(C2(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)CC2)c1 ZINC000435673914 513653090 /nfs/dbraw/zinc/65/30/90/513653090.db2.gz DGTOOBKAHIAZPH-UHFFFAOYSA-N -1 3 373.372 2.949 20 30 FFEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(OCC(N)=O)cc2)s1 ZINC000430601915 513702838 /nfs/dbraw/zinc/70/28/38/513702838.db2.gz VKKJAFVDGXMPOR-ZDUSSCGKSA-N -1 3 357.435 2.795 20 30 FFEDHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000416531736 513820349 /nfs/dbraw/zinc/82/03/49/513820349.db2.gz FNGNZZASBQUDOR-CYBMUJFWSA-N -1 3 374.422 2.551 20 30 FFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccccc1-n1ccnc1 ZINC000443013102 513842411 /nfs/dbraw/zinc/84/24/11/513842411.db2.gz JYBXPAMKUSEOJQ-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccn(-c2ccccc2)n1 ZINC000443036205 513849411 /nfs/dbraw/zinc/84/94/11/513849411.db2.gz WTJFWVOSEQLMCA-UHFFFAOYSA-N -1 3 372.837 2.876 20 30 FFEDHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443067637 513859982 /nfs/dbraw/zinc/85/99/82/513859982.db2.gz FPJIQEWKGQXQLH-TZMCWYRMSA-N -1 3 351.428 2.960 20 30 FFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cccs1 ZINC000443108520 513873208 /nfs/dbraw/zinc/87/32/08/513873208.db2.gz NCAUOUFIVUYDMG-ZDUSSCGKSA-N -1 3 369.899 2.854 20 30 FFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H](O)C(C)C ZINC000416626785 513874892 /nfs/dbraw/zinc/87/48/92/513874892.db2.gz QJTYCGDHFPGMRV-JSGCOSHPSA-N -1 3 364.389 2.651 20 30 FFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]CCC(F)(F)F)c1 ZINC000443477802 513977671 /nfs/dbraw/zinc/97/76/71/513977671.db2.gz YDLPNSYKWAEOGB-UHFFFAOYSA-N -1 3 357.151 2.551 20 30 FFEDHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000451807096 513993124 /nfs/dbraw/zinc/99/31/24/513993124.db2.gz GSPMVXDDHVODQY-SFHVURJKSA-N -1 3 362.426 2.679 20 30 FFEDHM C=CCN1CCC(NC(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436858570 514010538 /nfs/dbraw/zinc/01/05/38/514010538.db2.gz OSCLAKGWOYFAMA-UHFFFAOYSA-N -1 3 357.223 2.674 20 30 FFEDHM COc1cc([C@@H](C#N)NC(=O)c2ccc([O-])c(C)c2)cc(OC)c1OC ZINC000436940629 514043560 /nfs/dbraw/zinc/04/35/60/514043560.db2.gz XBPBEEBSRQXLNK-CQSZACIVSA-N -1 3 356.378 2.721 20 30 FFEDHM CC(C)n1cc(C(C)(C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)nn1 ZINC000420770192 514286712 /nfs/dbraw/zinc/28/67/12/514286712.db2.gz ZSMFKUSZSBNMEQ-UHFFFAOYSA-N -1 3 367.862 2.598 20 30 FFEDHM COc1cc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])ccc1C#N ZINC000417569038 514413031 /nfs/dbraw/zinc/41/30/31/514413031.db2.gz CAZBMFKFHCWCPE-GOSISDBHSA-N -1 3 365.433 2.562 20 30 FFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)cc1F ZINC000428417751 514470178 /nfs/dbraw/zinc/47/01/78/514470178.db2.gz JMSZPIJDRQQAIS-MRXNPFEDSA-N -1 3 351.378 2.907 20 30 FFEDHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428414642 514470420 /nfs/dbraw/zinc/47/04/20/514470420.db2.gz QRYLSRYNPXSZNP-MEDUHNTESA-N -1 3 365.842 2.661 20 30 FFEDHM CN(Cc1cccc(C#N)c1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000484272739 514614265 /nfs/dbraw/zinc/61/42/65/514614265.db2.gz QOPIMWDUCVOGLT-UHFFFAOYSA-N -1 3 353.328 2.950 20 30 FFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c1 ZINC000508112148 514672866 /nfs/dbraw/zinc/67/28/66/514672866.db2.gz ZBWNXXYMBNZYLF-UHFFFAOYSA-N -1 3 372.437 2.849 20 30 FFEDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475800251 514815333 /nfs/dbraw/zinc/81/53/33/514815333.db2.gz LXJGIKCCVSDZNA-CQSZACIVSA-N -1 3 355.891 2.754 20 30 FFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000489732847 514955198 /nfs/dbraw/zinc/95/51/98/514955198.db2.gz HUKWCQQQXLBXBT-UHFFFAOYSA-N -1 3 369.215 2.938 20 30 FFEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCC[C@@H]1C ZINC000489758789 514963137 /nfs/dbraw/zinc/96/31/37/514963137.db2.gz IADSMQUMCGTQIT-SCLBCKFNSA-N -1 3 359.470 2.872 20 30 FFEDHM COC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(Cl)cc1 ZINC000489802724 514979929 /nfs/dbraw/zinc/97/99/29/514979929.db2.gz LDTYBPNMVDQFFG-INIZCTEOSA-N -1 3 365.842 2.581 20 30 FFEDHM CNC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000503564393 515083488 /nfs/dbraw/zinc/08/34/88/515083488.db2.gz YLGCPVSAPNJZBZ-NSHDSACASA-N -1 3 369.331 2.676 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)CCCC1 ZINC000498897350 515105990 /nfs/dbraw/zinc/10/59/90/515105990.db2.gz QHDZMLDSDPYFAB-UHFFFAOYSA-N -1 3 351.453 2.906 20 30 FFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000476592082 515119909 /nfs/dbraw/zinc/11/99/09/515119909.db2.gz DOXNQUTUQJBWCT-SSDOTTSWSA-N -1 3 371.178 2.797 20 30 FFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)c2cc(C#N)c[nH]2)c(F)cc1F ZINC000480889141 515126216 /nfs/dbraw/zinc/12/62/16/515126216.db2.gz KSKQXFJCMIPMPV-UHFFFAOYSA-N -1 3 368.365 2.569 20 30 FFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000503794215 515143521 /nfs/dbraw/zinc/14/35/21/515143521.db2.gz AQWBHGVGPHKEIR-CYBMUJFWSA-N -1 3 354.815 2.861 20 30 FFEDHM C=CCC[C@H](NC(=O)Cc1ccc(Br)cc1[O-])C(=O)OCC ZINC000456607791 515283557 /nfs/dbraw/zinc/28/35/57/515283557.db2.gz MUPVVBKSMRALEX-ZDUSSCGKSA-N -1 3 370.243 2.711 20 30 FFEDHM C=CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000468369519 515330443 /nfs/dbraw/zinc/33/04/43/515330443.db2.gz XXHWSVSPFSWFDV-UHFFFAOYSA-N -1 3 351.403 2.651 20 30 FFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3noc(C)c3C#N)c2)n1 ZINC000499718010 515424935 /nfs/dbraw/zinc/42/49/35/515424935.db2.gz AGVYZZJBUKXDOZ-UHFFFAOYSA-N -1 3 363.377 2.761 20 30 FFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000500997063 515932967 /nfs/dbraw/zinc/93/29/67/515932967.db2.gz JPNIROGWXPGCAQ-OAHLLOKOSA-N -1 3 366.801 2.904 20 30 FFEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C1CN(CC(F)F)C1 ZINC000469880674 516013853 /nfs/dbraw/zinc/01/38/53/516013853.db2.gz MDXDGYXJAFWVCS-LBPRGKRZSA-N -1 3 358.257 2.881 20 30 FFEDHM COc1cc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1C#N ZINC000460576089 516194558 /nfs/dbraw/zinc/19/45/58/516194558.db2.gz SAJXYSLNGXQCCF-UHFFFAOYSA-N -1 3 365.364 2.786 20 30 FFEDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C ZINC000543725811 516393495 /nfs/dbraw/zinc/39/34/95/516393495.db2.gz PBDHWFYVXWIDRN-UHFFFAOYSA-N -1 3 352.847 2.523 20 30 FFEDHM N#C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Br)cc1 ZINC000517756852 516440997 /nfs/dbraw/zinc/44/09/97/516440997.db2.gz MHBURVYMJLDGGV-ZDUSSCGKSA-N -1 3 373.210 2.817 20 30 FFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000557857264 516473901 /nfs/dbraw/zinc/47/39/01/516473901.db2.gz GEDUTBZFZDHYFJ-UHFFFAOYSA-N -1 3 358.847 2.735 20 30 FFEDHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000523490010 516485571 /nfs/dbraw/zinc/48/55/71/516485571.db2.gz LODRMOFLFUWDCL-GFCCVEGCSA-N -1 3 369.343 2.512 20 30 FFEDHM N#Cc1cc2c(nc1[N-]C(=O)c1coc(C3CCOCC3)n1)CCCC2 ZINC000554674194 516578907 /nfs/dbraw/zinc/57/89/07/516578907.db2.gz ONSSCOHILMMNDD-UHFFFAOYSA-N -1 3 352.394 2.966 20 30 FFEDHM CN1c2ccc(C([O-])=C(C#N)c3ccccn3)cc2C(C)(C)S1(=O)=O ZINC000528922583 516799513 /nfs/dbraw/zinc/79/95/13/516799513.db2.gz YBLNXBPNIZJDOH-CYBMUJFWSA-N -1 3 355.419 2.586 20 30 FFEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000544724776 516896545 /nfs/dbraw/zinc/89/65/45/516896545.db2.gz HAEBWNMPHMJFIW-CJNGLKHVSA-N -1 3 354.447 2.905 20 30 FFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(S(=O)(=O)CC3CC3)cc2)nc(C)n1 ZINC000514712843 517017403 /nfs/dbraw/zinc/01/74/03/517017403.db2.gz CIYZCGXSAPIGSC-QGZVFWFLSA-N -1 3 369.446 2.767 20 30 FFEDHM COC(=O)c1cnc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)cn1 ZINC000537752303 517328602 /nfs/dbraw/zinc/32/86/02/517328602.db2.gz LGCOJJOOFVQRMB-LLVKDONJSA-N -1 3 356.407 2.767 20 30 FFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4ccccc4c(=O)n3C)nc1-2 ZINC000556896425 517735467 /nfs/dbraw/zinc/73/54/67/517735467.db2.gz GBMJMRVBDBAVRH-CQSZACIVSA-N -1 3 357.373 2.608 20 30 FFEDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1Cl ZINC000549945639 517800553 /nfs/dbraw/zinc/80/05/53/517800553.db2.gz HKUVOWCLQLDLIS-UHFFFAOYSA-N -1 3 368.817 2.880 20 30 FFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OC(C)(C)C ZINC000516706535 517816344 /nfs/dbraw/zinc/81/63/44/517816344.db2.gz SGIHPNNZTVRZHP-GFCCVEGCSA-N -1 3 358.847 2.610 20 30 FFEDHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccco1 ZINC000560473351 517829864 /nfs/dbraw/zinc/82/98/64/517829864.db2.gz GLOZEHKYDZAGKU-WFASDCNBSA-N -1 3 365.430 2.698 20 30 FFEDHM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1I ZINC000546858929 517891178 /nfs/dbraw/zinc/89/11/78/517891178.db2.gz SWQKKMHXMJETAK-LLVKDONJSA-N -1 3 363.158 2.880 20 30 FFEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c2nccn21 ZINC000563680962 518064739 /nfs/dbraw/zinc/06/47/39/518064739.db2.gz HVHDJRBYZXLAFS-SKDRFNHKSA-N -1 3 370.356 2.758 20 30 FFEDHM N#CC1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1 ZINC000543431569 518086636 /nfs/dbraw/zinc/08/66/36/518086636.db2.gz MJRLSZJZQMUFFR-UHFFFAOYSA-N -1 3 365.311 2.802 20 30 FFEDHM C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)c(C#N)c2)ccc1F ZINC000561002831 518116740 /nfs/dbraw/zinc/11/67/40/518116740.db2.gz PRNBWGWLTSASRX-UHFFFAOYSA-N -1 3 367.789 2.511 20 30 FFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000572582937 518259146 /nfs/dbraw/zinc/25/91/46/518259146.db2.gz QJERANNMVHUGHX-CQSZACIVSA-N -1 3 369.899 2.854 20 30 FFEDHM CCCOc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000564101346 518307673 /nfs/dbraw/zinc/30/76/73/518307673.db2.gz HAQYXLGOPDUYKY-UHFFFAOYSA-N -1 3 372.446 2.649 20 30 FFEDHM CC(C)(C#N)c1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1 ZINC000572808470 518368416 /nfs/dbraw/zinc/36/84/16/518368416.db2.gz JWHGUDMZEPEWHK-UHFFFAOYSA-N -1 3 350.362 2.808 20 30 FFEDHM C=CCCCCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000578905624 518430748 /nfs/dbraw/zinc/43/07/48/518430748.db2.gz FHCBVYNNJNROBG-UHFFFAOYSA-N -1 3 354.454 2.936 20 30 FFEDHM CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccco1 ZINC000581843827 518464199 /nfs/dbraw/zinc/46/41/99/518464199.db2.gz IUPPRAQFWFWYLG-RISCZKNCSA-N -1 3 374.466 2.833 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOC[C@H]1CC1CCC1 ZINC000576187508 518469511 /nfs/dbraw/zinc/46/95/11/518469511.db2.gz VAJGOAQNCVMBBX-MRXNPFEDSA-N -1 3 357.454 2.626 20 30 FFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)OCCc2sccc21 ZINC000582210510 518637884 /nfs/dbraw/zinc/63/78/84/518637884.db2.gz TZTRBIGTYVESPP-INIZCTEOSA-N -1 3 366.439 2.525 20 30 FFEDHM Cc1occc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588111799 518728286 /nfs/dbraw/zinc/72/82/86/518728286.db2.gz KUKHIRGBVHYKNK-UHFFFAOYSA-N -1 3 355.213 2.701 20 30 FFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000571602173 519174333 /nfs/dbraw/zinc/17/43/33/519174333.db2.gz DCFYSDHBTQWSFL-GJZGRUSLSA-N -1 3 354.859 2.783 20 30 FFEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000577913508 519319057 /nfs/dbraw/zinc/31/90/57/519319057.db2.gz MVXMKDXQFFCKLF-MRXNPFEDSA-N -1 3 350.827 2.878 20 30 FFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1C)C1CC1 ZINC000566229850 519383173 /nfs/dbraw/zinc/38/31/73/519383173.db2.gz PBYVQIQXGWLQNG-AWEZNQCLSA-N -1 3 373.272 2.796 20 30 FFEDHM Cc1csc([N-]C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1C#N ZINC000580858120 519393774 /nfs/dbraw/zinc/39/37/74/519393774.db2.gz JJKGHDPLPWHTLB-UHFFFAOYSA-N -1 3 368.378 2.978 20 30 FFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000590955782 519458156 /nfs/dbraw/zinc/45/81/56/519458156.db2.gz NZEMIROITFMDEQ-SFHVURJKSA-N -1 3 367.428 2.581 20 30 FFEDHM COc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1C#N ZINC000572170567 519479024 /nfs/dbraw/zinc/47/90/24/519479024.db2.gz XLHAQEPLTZKPGS-UHFFFAOYSA-N -1 3 354.790 2.838 20 30 FFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000566519734 519530961 /nfs/dbraw/zinc/53/09/61/519530961.db2.gz JWJAQOCHGKBNOT-UHFFFAOYSA-N -1 3 352.390 2.832 20 30 FFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594402305 519943353 /nfs/dbraw/zinc/94/33/53/519943353.db2.gz JAEUFHWEVIAQMG-UHFFFAOYSA-N -1 3 369.446 2.739 20 30 FFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000600189424 520111256 /nfs/dbraw/zinc/11/12/56/520111256.db2.gz PRRQPBSNJCVVGJ-PHIMTYICSA-N -1 3 351.397 2.958 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCOC[C@H]1C ZINC000594770843 520147361 /nfs/dbraw/zinc/14/73/61/520147361.db2.gz PLCXTQFTFFZZRU-YGRLFVJLSA-N -1 3 350.465 2.785 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@H]1C ZINC000594776618 520150204 /nfs/dbraw/zinc/15/02/04/520150204.db2.gz HMCQJBXGBZGBIN-DIFFPNOSSA-N -1 3 364.492 2.911 20 30 FFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@@H](C)n2ncnc21 ZINC000594810515 520168472 /nfs/dbraw/zinc/16/84/72/520168472.db2.gz UVRHDESCPVABFW-NOZJJQNGSA-N -1 3 373.463 2.657 20 30 FFEDHM C=CCC1([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCOCC1 ZINC000594845183 520184495 /nfs/dbraw/zinc/18/44/95/520184495.db2.gz KPKQZIPOWGEFFJ-UHFFFAOYSA-N -1 3 354.428 2.615 20 30 FFEDHM N#CCCOCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000594919454 520217799 /nfs/dbraw/zinc/21/77/99/520217799.db2.gz AIZZBMIMCMYQNV-UHFFFAOYSA-N -1 3 355.423 2.603 20 30 FFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000617035828 520295583 /nfs/dbraw/zinc/29/55/83/520295583.db2.gz SYTVQDPKZOUZPL-DZKIICNBSA-N -1 3 368.474 2.744 20 30 FFEDHM C=C(C)CN1CCC(NC(=O)N=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000592329144 520337885 /nfs/dbraw/zinc/33/78/85/520337885.db2.gz UHCHDFZUEAWNOT-UHFFFAOYSA-N -1 3 371.510 2.713 20 30 FFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 ZINC000592352758 520346091 /nfs/dbraw/zinc/34/60/91/520346091.db2.gz NHOUXLCBZQTSTP-CYBMUJFWSA-N -1 3 364.345 2.624 20 30 FFEDHM COC(=O)c1cc(F)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000603773563 520358070 /nfs/dbraw/zinc/35/80/70/520358070.db2.gz NIBNKWQVJFUOFN-UHFFFAOYSA-N -1 3 371.368 2.773 20 30 FFEDHM COc1cccc(OC)c1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597974925 520358179 /nfs/dbraw/zinc/35/81/79/520358179.db2.gz CYDDVWVEFQNDBI-UHFFFAOYSA-N -1 3 369.421 2.542 20 30 FFEDHM CC(C)(C)OC(=O)COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000595243145 520367710 /nfs/dbraw/zinc/36/77/10/520367710.db2.gz CDVWQPAMTHECLW-OAHLLOKOSA-N -1 3 353.378 2.687 20 30 FFEDHM CCc1nc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)cn1CC1CC1 ZINC000595328778 520410447 /nfs/dbraw/zinc/41/04/47/520410447.db2.gz ZHPQZQKROMPYHJ-KRWDZBQOSA-N -1 3 370.478 2.693 20 30 FFEDHM C=CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H](C)COC ZINC000617580682 520589815 /nfs/dbraw/zinc/58/98/15/520589815.db2.gz BXOOOUFACNPFPO-LBPRGKRZSA-N -1 3 373.409 2.604 20 30 FFEDHM C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000610366657 520651495 /nfs/dbraw/zinc/65/14/95/520651495.db2.gz PGTXUNDINFXFSM-RDTXWAMCSA-N -1 3 363.417 2.746 20 30 FFEDHM COc1nc(C)cc(C)c1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613918432 520725763 /nfs/dbraw/zinc/72/57/63/520725763.db2.gz UYTQDCIXIVJCJU-UHFFFAOYSA-N -1 3 365.842 2.711 20 30 FFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)cc1Br ZINC000598621462 520747585 /nfs/dbraw/zinc/74/75/85/520747585.db2.gz GMKIQZYOVAPJCC-VIFPVBQESA-N -1 3 365.199 2.644 20 30 FFEDHM CCS(=O)(=O)c1ccccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000610666290 520786883 /nfs/dbraw/zinc/78/68/83/520786883.db2.gz MXXUTNXLTGUMOA-UHFFFAOYSA-N -1 3 350.346 2.882 20 30 FFEDHM CC[C@@H](OC1CCCCC1)C(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000610757705 520830055 /nfs/dbraw/zinc/83/00/55/520830055.db2.gz JGVFXHTYQXLXCM-GOSISDBHSA-N -1 3 367.453 2.936 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c(F)c1 ZINC000593278263 520875115 /nfs/dbraw/zinc/87/51/15/520875115.db2.gz IQXCQSGJFTYSKS-INIZCTEOSA-N -1 3 356.419 2.609 20 30 FFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(F)c1 ZINC000593276429 520875803 /nfs/dbraw/zinc/87/58/03/520875803.db2.gz QRQGKFPHZPDLLF-HNNXBMFYSA-N -1 3 368.430 2.753 20 30 FFEDHM COc1ccc(CN2CCCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000614293441 520894156 /nfs/dbraw/zinc/89/41/56/520894156.db2.gz GVKMLUMSSWZMBU-UHFFFAOYSA-N -1 3 365.433 2.621 20 30 FFEDHM COc1ccc([C@H](CNC(=O)c2cc([O-])cc(C#N)c2)N2CCCC2)cc1 ZINC000614293282 520894901 /nfs/dbraw/zinc/89/49/01/520894901.db2.gz GWANJNJNJFRADW-FQEVSTJZSA-N -1 3 365.433 2.839 20 30 FFEDHM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000614298049 520897328 /nfs/dbraw/zinc/89/73/28/520897328.db2.gz KAUYUDVHMKIEOR-CQSZACIVSA-N -1 3 355.463 2.967 20 30 FFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C#N)CC(C)C)cc1Cl ZINC000611114009 520991545 /nfs/dbraw/zinc/99/15/45/520991545.db2.gz XIPQMXQYFROKKS-JTQLQIEISA-N -1 3 361.826 2.654 20 30 FFEDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593531541 521053703 /nfs/dbraw/zinc/05/37/03/521053703.db2.gz OGRMIAARNSKYEF-UHFFFAOYSA-N -1 3 366.464 2.896 20 30 FFEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccco1 ZINC000593535701 521058867 /nfs/dbraw/zinc/05/88/67/521058867.db2.gz DIGVSAJNNURJJE-LBPRGKRZSA-N -1 3 353.469 2.574 20 30 FFEDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593553483 521069861 /nfs/dbraw/zinc/06/98/61/521069861.db2.gz YNBRPHXZULFZDJ-UHFFFAOYSA-N -1 3 358.485 2.800 20 30 FFEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)OC(C)(C)C ZINC000593560277 521076411 /nfs/dbraw/zinc/07/64/11/521076411.db2.gz RKVMCMYAUZXWOU-NSHDSACASA-N -1 3 358.485 2.654 20 30 FFEDHM C[C@H](O)[C@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)Cc1ccccc1 ZINC000593583639 521091349 /nfs/dbraw/zinc/09/13/49/521091349.db2.gz WLWQPLNJWDFDAH-GUYCJALGSA-N -1 3 364.492 2.528 20 30 FFEDHM COc1cc(F)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593606309 521102756 /nfs/dbraw/zinc/10/27/56/521102756.db2.gz QJKYFCFAYVOHTQ-SNVBAGLBSA-N -1 3 354.428 2.677 20 30 FFEDHM CCOC(=O)c1sc([N-]C(=O)c2nn(C)cc2Cl)c(C#N)c1C ZINC000602231433 521224478 /nfs/dbraw/zinc/22/44/78/521224478.db2.gz UXWGOOFSZCIVCO-UHFFFAOYSA-N -1 3 352.803 2.744 20 30 FFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000611619557 521252141 /nfs/dbraw/zinc/25/21/41/521252141.db2.gz PTVCPGODEVTYRM-UHFFFAOYSA-N -1 3 351.653 2.931 20 30 FFEDHM Cc1nc([N-]C(=O)c2coc(C3CCCC3)n2)n(-c2ccc(C#N)cc2)n1 ZINC000619749147 521852840 /nfs/dbraw/zinc/85/28/40/521852840.db2.gz YRLGCQRAAUXZQL-UHFFFAOYSA-N -1 3 362.393 2.767 20 30 FFEDHM C=CCCOCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482070412 561247996 /nfs/dbraw/zinc/24/79/96/561247996.db2.gz DUUJJRHFNHLVEM-UHFFFAOYSA-N -1 3 353.220 2.811 20 30 FFEDHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N=c1[n-]n(C)cc1C#N ZINC000613590015 554942102 /nfs/dbraw/zinc/94/21/02/554942102.db2.gz ALDJGIHRDUZWCX-QGZVFWFLSA-N -1 3 354.458 2.570 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735977703 598858018 /nfs/dbraw/zinc/85/80/18/598858018.db2.gz WUDQQWYOEFYQNV-CYBMUJFWSA-N -1 3 363.377 2.905 20 30 FFEDHM C[C@H](CC#N)OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735977703 598858019 /nfs/dbraw/zinc/85/80/19/598858019.db2.gz WUDQQWYOEFYQNV-CYBMUJFWSA-N -1 3 363.377 2.905 20 30 FFEDHM C#CCN(CC)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735375307 598927189 /nfs/dbraw/zinc/92/71/89/598927189.db2.gz XUFOUFWEQPSGFX-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM C#CCN(CC)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735375307 598927190 /nfs/dbraw/zinc/92/71/90/598927190.db2.gz XUFOUFWEQPSGFX-UHFFFAOYSA-N -1 3 361.405 2.541 20 30 FFEDHM N#Cc1cccc(C=C2COCC(=Cc3cccc(-c4nnn[n-]4)c3)C2=O)c1 ZINC000737722497 599064334 /nfs/dbraw/zinc/06/43/34/599064334.db2.gz JVNGCAPXUCFKHO-JZAWIKSFSA-N -1 3 369.384 2.805 20 30 FFEDHM N#Cc1cccc(C=C2COCC(=Cc3cccc(-c4nn[n-]n4)c3)C2=O)c1 ZINC000737722497 599064336 /nfs/dbraw/zinc/06/43/36/599064336.db2.gz JVNGCAPXUCFKHO-JZAWIKSFSA-N -1 3 369.384 2.805 20 30 FFEDHM COc1ccc(C=C2CCc3cc(C#N)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000821786442 599115838 /nfs/dbraw/zinc/11/58/38/599115838.db2.gz DLQIXWXXHFLAOI-OVCLIPMQSA-N -1 3 357.373 2.959 20 30 FFEDHM COc1ccc(C=C2CCc3cc(C#N)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000821786442 599115840 /nfs/dbraw/zinc/11/58/40/599115840.db2.gz DLQIXWXXHFLAOI-OVCLIPMQSA-N -1 3 357.373 2.959 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000737066175 599149927 /nfs/dbraw/zinc/14/99/27/599149927.db2.gz QWBCUTGDAIXNLC-YWEYNIOJSA-N -1 3 366.377 2.789 20 30 FFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000737066175 599149929 /nfs/dbraw/zinc/14/99/29/599149929.db2.gz QWBCUTGDAIXNLC-YWEYNIOJSA-N -1 3 366.377 2.789 20 30 FFEDHM COCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737017179 599154529 /nfs/dbraw/zinc/15/45/29/599154529.db2.gz LSXGCMPIOZXUEV-KTKRTIGZSA-N -1 3 363.421 2.965 20 30 FFEDHM COCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737017179 599154532 /nfs/dbraw/zinc/15/45/32/599154532.db2.gz LSXGCMPIOZXUEV-KTKRTIGZSA-N -1 3 363.421 2.965 20 30 FFEDHM CS[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737169893 599193881 /nfs/dbraw/zinc/19/38/81/599193881.db2.gz FSBKEYRQZONTBY-HNNXBMFYSA-N -1 3 350.407 2.781 20 30 FFEDHM CS[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737169893 599193884 /nfs/dbraw/zinc/19/38/84/599193884.db2.gz FSBKEYRQZONTBY-HNNXBMFYSA-N -1 3 350.407 2.781 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000737716064 599196168 /nfs/dbraw/zinc/19/61/68/599196168.db2.gz KSZHYKFEFFUOKB-ZIAGYGMSSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000737716064 599196171 /nfs/dbraw/zinc/19/61/71/599196171.db2.gz KSZHYKFEFFUOKB-ZIAGYGMSSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000737716381 599199087 /nfs/dbraw/zinc/19/90/87/599199087.db2.gz QFRFHFMKQHNXMW-JSGCOSHPSA-N -1 3 366.331 2.759 20 30 FFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000737716381 599199089 /nfs/dbraw/zinc/19/90/89/599199089.db2.gz QFRFHFMKQHNXMW-JSGCOSHPSA-N -1 3 366.331 2.759 20 30 FFEDHM C[C@H](OC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000820519501 607263498 /nfs/dbraw/zinc/26/34/98/607263498.db2.gz VJAFYSTYQDXWOW-VIFPVBQESA-N -1 3 354.757 2.705 20 30 FFEDHM C[C@H](OC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000820519501 607263499 /nfs/dbraw/zinc/26/34/99/607263499.db2.gz VJAFYSTYQDXWOW-VIFPVBQESA-N -1 3 354.757 2.705 20 30 FFEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737697960 599242912 /nfs/dbraw/zinc/24/29/12/599242912.db2.gz OTRWUWALYPUVQF-UHFFFAOYSA-N -1 3 369.768 2.779 20 30 FFEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737697960 599242915 /nfs/dbraw/zinc/24/29/15/599242915.db2.gz OTRWUWALYPUVQF-UHFFFAOYSA-N -1 3 369.768 2.779 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820379583 599278549 /nfs/dbraw/zinc/27/85/49/599278549.db2.gz DQTAKSXSYXLREW-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820379583 599278551 /nfs/dbraw/zinc/27/85/51/599278551.db2.gz DQTAKSXSYXLREW-JTQLQIEISA-N -1 3 351.345 2.760 20 30 FFEDHM Brc1ccc(CNN=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735369823 598362721 /nfs/dbraw/zinc/36/27/21/598362721.db2.gz XOZSLVIZMFLHGY-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM Brc1ccc(CNN=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735369823 598362723 /nfs/dbraw/zinc/36/27/23/598362723.db2.gz XOZSLVIZMFLHGY-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM CCCC(C#N)(CCC)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736417439 598383086 /nfs/dbraw/zinc/38/30/86/598383086.db2.gz SBLWTTWKOQAMRY-CYBMUJFWSA-N -1 3 356.430 2.613 20 30 FFEDHM CCCC(C#N)(CCC)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736417439 598383087 /nfs/dbraw/zinc/38/30/87/598383087.db2.gz SBLWTTWKOQAMRY-CYBMUJFWSA-N -1 3 356.430 2.613 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737011477 598419521 /nfs/dbraw/zinc/41/95/21/598419521.db2.gz UFMCMXSYCXRALI-NYYWCZLTSA-N -1 3 350.378 2.788 20 30 FFEDHM COCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737011477 598419522 /nfs/dbraw/zinc/41/95/22/598419522.db2.gz UFMCMXSYCXRALI-NYYWCZLTSA-N -1 3 350.378 2.788 20 30 FFEDHM CCc1c(C)sc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000736677126 598516482 /nfs/dbraw/zinc/51/64/82/598516482.db2.gz ZVCJAUCUTNLBLN-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM CCc1c(C)sc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000736677126 598516484 /nfs/dbraw/zinc/51/64/84/598516484.db2.gz ZVCJAUCUTNLBLN-UHFFFAOYSA-N -1 3 352.423 2.852 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735503756 598665699 /nfs/dbraw/zinc/66/56/99/598665699.db2.gz LYYRUDOXJYEGHK-CYBMUJFWSA-N -1 3 362.393 2.891 20 30 FFEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735503756 598665701 /nfs/dbraw/zinc/66/57/01/598665701.db2.gz LYYRUDOXJYEGHK-CYBMUJFWSA-N -1 3 362.393 2.891 20 30 FFEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cn1 ZINC000735390458 598735566 /nfs/dbraw/zinc/73/55/66/598735566.db2.gz ZPCLYFSFUNOKHX-UHFFFAOYSA-N -1 3 360.421 2.541 20 30 FFEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cn1 ZINC000735390458 598735567 /nfs/dbraw/zinc/73/55/67/598735567.db2.gz ZPCLYFSFUNOKHX-UHFFFAOYSA-N -1 3 360.421 2.541 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735417042 598752677 /nfs/dbraw/zinc/75/26/77/598752677.db2.gz XVSUTELVLCWURM-UHFFFAOYSA-N -1 3 355.442 2.840 20 30 FFEDHM C=CCN(CC1CCCCC1)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735417042 598752678 /nfs/dbraw/zinc/75/26/78/598752678.db2.gz XVSUTELVLCWURM-UHFFFAOYSA-N -1 3 355.442 2.840 20 30 FFEDHM C=C(Br)CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735397648 598780300 /nfs/dbraw/zinc/78/03/00/598780300.db2.gz AZIIZTOWODFMBK-UHFFFAOYSA-N -1 3 364.247 2.619 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000735420112 598790971 /nfs/dbraw/zinc/79/09/71/598790971.db2.gz MKKGGGSKHUAPOT-YJBOKZPZSA-N -1 3 369.469 2.977 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000735420112 598790972 /nfs/dbraw/zinc/79/09/72/598790972.db2.gz MKKGGGSKHUAPOT-YJBOKZPZSA-N -1 3 369.469 2.977 20 30 FFEDHM N#Cc1cccc(OC2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000737730137 598798116 /nfs/dbraw/zinc/79/81/16/598798116.db2.gz GOOVEOGVKJJIRN-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM N#Cc1cccc(OC2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1 ZINC000737730137 598798117 /nfs/dbraw/zinc/79/81/17/598798117.db2.gz GOOVEOGVKJJIRN-UHFFFAOYSA-N -1 3 364.384 2.925 20 30 FFEDHM c1ccc2c(c1)cnnc2N=NC1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823797821 599333619 /nfs/dbraw/zinc/33/36/19/599333619.db2.gz SWGHXJDYNUOWOA-UHFFFAOYSA-N -1 3 356.393 2.962 20 30 FFEDHM c1ccc2c(c1)cnnc2N=NC1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823797821 599333621 /nfs/dbraw/zinc/33/36/21/599333621.db2.gz SWGHXJDYNUOWOA-UHFFFAOYSA-N -1 3 356.393 2.962 20 30 FFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819739736 599343870 /nfs/dbraw/zinc/34/38/70/599343870.db2.gz FVSQCUNVECWPMC-UHFFFAOYSA-N -1 3 369.878 2.887 20 30 FFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccccc1C#N ZINC000821702500 599350133 /nfs/dbraw/zinc/35/01/33/599350133.db2.gz VWNZNYZHRGFVFA-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccccc1C#N ZINC000821702500 599350136 /nfs/dbraw/zinc/35/01/36/599350136.db2.gz VWNZNYZHRGFVFA-UHFFFAOYSA-N -1 3 353.407 2.918 20 30 FFEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(F)cc1OCC#N ZINC000821737617 607373446 /nfs/dbraw/zinc/37/34/46/607373446.db2.gz YZTUUKRJHKJPPL-UHFFFAOYSA-N -1 3 354.345 2.529 20 30 FFEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)cc1OCC#N ZINC000821737617 607373448 /nfs/dbraw/zinc/37/34/48/607373448.db2.gz YZTUUKRJHKJPPL-UHFFFAOYSA-N -1 3 354.345 2.529 20 30 FFEDHM C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820348335 599475665 /nfs/dbraw/zinc/47/56/65/599475665.db2.gz BLCDKDUGRKKYIY-CHWSQXEVSA-N -1 3 361.409 2.860 20 30 FFEDHM C[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820348335 599475666 /nfs/dbraw/zinc/47/56/66/599475666.db2.gz BLCDKDUGRKKYIY-CHWSQXEVSA-N -1 3 361.409 2.860 20 30 FFEDHM C=C(Br)CNc1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000819718667 599497056 /nfs/dbraw/zinc/49/70/56/599497056.db2.gz MUEUAJDLQDMDMV-UHFFFAOYSA-N -1 3 359.231 2.774 20 30 FFEDHM C=C(Br)CNc1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000819718667 599497059 /nfs/dbraw/zinc/49/70/59/599497059.db2.gz MUEUAJDLQDMDMV-UHFFFAOYSA-N -1 3 359.231 2.774 20 30 FFEDHM N#CCC1(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822805777 599626578 /nfs/dbraw/zinc/62/65/78/599626578.db2.gz CSVOPLMKPAHVJQ-UHFFFAOYSA-N -1 3 355.398 2.653 20 30 FFEDHM N#CCC1(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822805777 599626579 /nfs/dbraw/zinc/62/65/79/599626579.db2.gz CSVOPLMKPAHVJQ-UHFFFAOYSA-N -1 3 355.398 2.653 20 30 FFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ncc(C)s1 ZINC000819745446 599677722 /nfs/dbraw/zinc/67/77/22/599677722.db2.gz DGPYKMNRQGGWOW-UHFFFAOYSA-N -1 3 369.454 2.529 20 30 FFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ncc(C)s1 ZINC000819745446 599677723 /nfs/dbraw/zinc/67/77/23/599677723.db2.gz DGPYKMNRQGGWOW-UHFFFAOYSA-N -1 3 369.454 2.529 20 30 FFEDHM COc1ccc(C#N)cc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821770488 607412990 /nfs/dbraw/zinc/41/29/90/607412990.db2.gz VEWPNPPRMYDTMF-VQHVLOKHSA-N -1 3 361.361 2.504 20 30 FFEDHM COc1ccc(C#N)cc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821770488 607412992 /nfs/dbraw/zinc/41/29/92/607412992.db2.gz VEWPNPPRMYDTMF-VQHVLOKHSA-N -1 3 361.361 2.504 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821693041 607457630 /nfs/dbraw/zinc/45/76/30/607457630.db2.gz OTFJGKUHNRCOOE-TWGQIWQCSA-N -1 3 368.368 2.927 20 30 FFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821693041 607457632 /nfs/dbraw/zinc/45/76/32/607457632.db2.gz OTFJGKUHNRCOOE-TWGQIWQCSA-N -1 3 368.368 2.927 20 30 FFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000833073963 601313052 /nfs/dbraw/zinc/31/30/52/601313052.db2.gz LDBFMJIHQQONNP-IBGZPJMESA-N -1 3 369.465 2.845 20 30 FFEDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000830518633 601384932 /nfs/dbraw/zinc/38/49/32/601384932.db2.gz GWHONVIBZGKXOG-CVEARBPZSA-N -1 3 359.426 2.625 20 30 FFEDHM COc1cc(C#N)ccc1OCCN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000831861068 601543099 /nfs/dbraw/zinc/54/30/99/601543099.db2.gz MUBSBLABXYKPCB-LJQANCHMSA-N -1 3 352.390 2.630 20 30 FFEDHM CN(C(=O)[O-])[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000739586644 601965965 /nfs/dbraw/zinc/96/59/65/601965965.db2.gz SVXNBVXWJLROCV-QWHCGFSZSA-N -1 3 372.450 2.547 20 30 FFEDHM O=C1c2cc(F)cc(F)c2CC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826476349 607681785 /nfs/dbraw/zinc/68/17/85/607681785.db2.gz FZHGRWUYHRKSPE-KMKOMSMNSA-N -1 3 364.315 2.615 20 30 FFEDHM O=C1c2cc(F)cc(F)c2CC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826476349 607681786 /nfs/dbraw/zinc/68/17/86/607681786.db2.gz FZHGRWUYHRKSPE-KMKOMSMNSA-N -1 3 364.315 2.615 20 30 FFEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000833411921 605179172 /nfs/dbraw/zinc/17/91/72/605179172.db2.gz FRMLZUCPIZDIQA-LJQANCHMSA-N -1 3 365.433 2.616 20 30 FFEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000833415834 605180961 /nfs/dbraw/zinc/18/09/61/605180961.db2.gz YADQYEROVXGDSV-LJQANCHMSA-N -1 3 365.433 2.616 20 30 FFEDHM N#Cc1ccc(-c2ccn(CN3C[C@@H]4CCC[C@H](NC(=O)[O-])[C@@H]4C3)n2)cc1 ZINC000833974703 605326126 /nfs/dbraw/zinc/32/61/26/605326126.db2.gz NMJCQWYDBMBCIJ-SCTDSRPQSA-N -1 3 365.437 2.747 20 30 FFEDHM CCOc1ccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821422302 606204040 /nfs/dbraw/zinc/20/40/40/606204040.db2.gz SRJDMPMDMOSUHG-UHFFFAOYSA-N -1 3 373.467 2.647 20 30 FFEDHM CCOc1ccc(NC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821422302 606204041 /nfs/dbraw/zinc/20/40/41/606204041.db2.gz SRJDMPMDMOSUHG-UHFFFAOYSA-N -1 3 373.467 2.647 20 30 FFEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000820017015 606204974 /nfs/dbraw/zinc/20/49/74/606204974.db2.gz SGFQKLBPWYQICP-MRXNPFEDSA-N -1 3 367.365 2.744 20 30 FFEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000820017015 606204976 /nfs/dbraw/zinc/20/49/76/606204976.db2.gz SGFQKLBPWYQICP-MRXNPFEDSA-N -1 3 367.365 2.744 20 30 FFEDHM Cn1cc(C#N)cc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822668999 606209704 /nfs/dbraw/zinc/20/97/04/606209704.db2.gz FLTWKPCCGMTDOZ-UHFFFAOYSA-N -1 3 367.438 2.660 20 30 FFEDHM Cn1cc(C#N)cc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822668999 606209705 /nfs/dbraw/zinc/20/97/05/606209705.db2.gz FLTWKPCCGMTDOZ-UHFFFAOYSA-N -1 3 367.438 2.660 20 30 FFEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822204563 606221529 /nfs/dbraw/zinc/22/15/29/606221529.db2.gz STNDDQGYNVINKB-UHFFFAOYSA-N -1 3 359.368 2.768 20 30 FFEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822204563 606221530 /nfs/dbraw/zinc/22/15/30/606221530.db2.gz STNDDQGYNVINKB-UHFFFAOYSA-N -1 3 359.368 2.768 20 30 FFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@@H]1CCc2ccc(F)cc21 ZINC000822818808 606328761 /nfs/dbraw/zinc/32/87/61/606328761.db2.gz GEUVRCFYWMWFBR-CYBMUJFWSA-N -1 3 353.386 2.634 20 30 FFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@@H]1CCc2ccc(F)cc21 ZINC000822818808 606328764 /nfs/dbraw/zinc/32/87/64/606328764.db2.gz GEUVRCFYWMWFBR-CYBMUJFWSA-N -1 3 353.386 2.634 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(Cl)nc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016336 606391013 /nfs/dbraw/zinc/39/10/13/606391013.db2.gz XUGUINRHMCKSKA-XQRVVYSFSA-N -1 3 354.801 2.867 20 30 FFEDHM Cc1c(C(=O)C=Cc2ccc(Cl)nc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016336 606391015 /nfs/dbraw/zinc/39/10/15/606391015.db2.gz XUGUINRHMCKSKA-XQRVVYSFSA-N -1 3 354.801 2.867 20 30 FFEDHM FC(F)(F)c1ccc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)nn1 ZINC000826368765 607843945 /nfs/dbraw/zinc/84/39/45/607843945.db2.gz AMLJJIOWCJAXHG-UHFFFAOYSA-N -1 3 374.330 2.828 20 30 FFEDHM FC(F)(F)c1ccc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)nn1 ZINC000826368765 607843946 /nfs/dbraw/zinc/84/39/46/607843946.db2.gz AMLJJIOWCJAXHG-UHFFFAOYSA-N -1 3 374.330 2.828 20 30 FFEDHM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)c1ccc(C#N)cc1 ZINC000825999304 607846889 /nfs/dbraw/zinc/84/68/89/607846889.db2.gz VXFJVCSWSSCGDK-UHFFFAOYSA-N -1 3 356.393 2.696 20 30 FFEDHM CN(Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1)c1ccc(C#N)cc1 ZINC000825999304 607846890 /nfs/dbraw/zinc/84/68/90/607846890.db2.gz VXFJVCSWSSCGDK-UHFFFAOYSA-N -1 3 356.393 2.696 20 30 FFEDHM C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937244 607872350 /nfs/dbraw/zinc/87/23/50/607872350.db2.gz OACJAKYYPUKSCR-INIZCTEOSA-N -1 3 367.365 2.616 20 30 FFEDHM C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937244 607872351 /nfs/dbraw/zinc/87/23/51/607872351.db2.gz OACJAKYYPUKSCR-INIZCTEOSA-N -1 3 367.365 2.616 20 30 FFEDHM Brc1ccc(CNN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000823827050 607888212 /nfs/dbraw/zinc/88/82/12/607888212.db2.gz SOPNPNJEPKSVIU-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM Brc1ccc(CNN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000823827050 607888213 /nfs/dbraw/zinc/88/82/13/607888213.db2.gz SOPNPNJEPKSVIU-UHFFFAOYSA-N -1 3 357.215 2.753 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ncc(Br)s1 ZINC000826401712 607930491 /nfs/dbraw/zinc/93/04/91/607930491.db2.gz FLPAIKUNONCYFO-AATRIKPKSA-N -1 3 362.212 2.982 20 30 FFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ncc(Br)s1 ZINC000826401712 607930492 /nfs/dbraw/zinc/93/04/92/607930492.db2.gz FLPAIKUNONCYFO-AATRIKPKSA-N -1 3 362.212 2.982 20 30 FFEDHM C=CCC(CC=C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000823887974 608136863 /nfs/dbraw/zinc/13/68/63/608136863.db2.gz CFVYWUBFQLUECB-UHFFFAOYSA-N -1 3 357.414 2.599 20 30 FFEDHM C=CCC(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000823887974 608136864 /nfs/dbraw/zinc/13/68/64/608136864.db2.gz CFVYWUBFQLUECB-UHFFFAOYSA-N -1 3 357.414 2.599 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC)OCC ZINC000823872853 608177640 /nfs/dbraw/zinc/17/76/40/608177640.db2.gz FGDIVNRWZYNGFF-OAHLLOKOSA-N -1 3 369.429 2.546 20 30 FFEDHM C=C(C)[C@@H](CC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC)OCC ZINC000823872853 608177641 /nfs/dbraw/zinc/17/76/41/608177641.db2.gz FGDIVNRWZYNGFF-OAHLLOKOSA-N -1 3 369.429 2.546 20 30 FFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000826358369 608350334 /nfs/dbraw/zinc/35/03/34/608350334.db2.gz QTKHJHFZSKHBNG-UHFFFAOYSA-N -1 3 355.427 2.688 20 30 FFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000826358369 608350336 /nfs/dbraw/zinc/35/03/36/608350336.db2.gz QTKHJHFZSKHBNG-UHFFFAOYSA-N -1 3 355.427 2.688 20 30 FFEDHM C=CCN(Cc1cccs1)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823919726 608503222 /nfs/dbraw/zinc/50/32/22/608503222.db2.gz ONJCLSZHUUPWJS-UHFFFAOYSA-N -1 3 351.439 2.764 20 30 FFEDHM C=CCN(Cc1cccs1)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000823919726 608503223 /nfs/dbraw/zinc/50/32/23/608503223.db2.gz ONJCLSZHUUPWJS-UHFFFAOYSA-N -1 3 351.439 2.764 20 30 FFEDHM COc1ccc(OC)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826210697 608536209 /nfs/dbraw/zinc/53/62/09/608536209.db2.gz ASRSHPSFDYFFRJ-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM COc1ccc(OC)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826210697 608536210 /nfs/dbraw/zinc/53/62/10/608536210.db2.gz ASRSHPSFDYFFRJ-UHFFFAOYSA-N -1 3 373.804 2.768 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCOc3ccccc32)n1 ZINC000826350360 608536596 /nfs/dbraw/zinc/53/65/96/608536596.db2.gz SGJBOYDAXJHQBZ-UHFFFAOYSA-N -1 3 355.789 2.904 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCOc3ccccc32)n1 ZINC000826350360 608536597 /nfs/dbraw/zinc/53/65/97/608536597.db2.gz SGJBOYDAXJHQBZ-UHFFFAOYSA-N -1 3 355.789 2.904 20 30 FFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc3ncccc3c2)n1 ZINC000826350043 608542779 /nfs/dbraw/zinc/54/27/79/608542779.db2.gz FYCZFCGGVUNNNS-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc3ncccc3c2)n1 ZINC000826350043 608542781 /nfs/dbraw/zinc/54/27/81/608542781.db2.gz FYCZFCGGVUNNNS-UHFFFAOYSA-N -1 3 350.773 2.909 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953926 609157322 /nfs/dbraw/zinc/15/73/22/609157322.db2.gz VVNIWVIIDNWJQR-UHFFFAOYSA-N -1 3 373.392 2.856 20 30 FFEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953926 609157323 /nfs/dbraw/zinc/15/73/23/609157323.db2.gz VVNIWVIIDNWJQR-UHFFFAOYSA-N -1 3 373.392 2.856 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826382943 609279166 /nfs/dbraw/zinc/27/91/66/609279166.db2.gz BQVPVPGXZQWQAI-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826382943 609279167 /nfs/dbraw/zinc/27/91/67/609279167.db2.gz BQVPVPGXZQWQAI-UHFFFAOYSA-N -1 3 360.356 2.675 20 30 FFEDHM C#CCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823841384 609348657 /nfs/dbraw/zinc/34/86/57/609348657.db2.gz MBZKUCIJJGYJRC-UHFFFAOYSA-N -1 3 363.215 2.866 20 30 FFEDHM C#CCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823841384 609348659 /nfs/dbraw/zinc/34/86/59/609348659.db2.gz MBZKUCIJJGYJRC-UHFFFAOYSA-N -1 3 363.215 2.866 20 30 FFEDHM C[C@H](C#N)CN(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000824034690 609365905 /nfs/dbraw/zinc/36/59/05/609365905.db2.gz MUECXINFLXWNSN-SNVBAGLBSA-N -1 3 361.247 2.753 20 30 FFEDHM C[C@H](C#N)CN(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000824034690 609365907 /nfs/dbraw/zinc/36/59/07/609365907.db2.gz MUECXINFLXWNSN-SNVBAGLBSA-N -1 3 361.247 2.753 20 30 FFEDHM CC(C)(C#N)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824059227 609429732 /nfs/dbraw/zinc/42/97/32/609429732.db2.gz PNDFEORYOLEPGJ-UHFFFAOYSA-N -1 3 361.409 2.890 20 30 FFEDHM C#CCNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823851000 609442549 /nfs/dbraw/zinc/44/25/49/609442549.db2.gz XLFHOPLCCIXSOY-ZDUSSCGKSA-N -1 3 362.462 2.692 20 30 FFEDHM C#CCNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823851000 609442551 /nfs/dbraw/zinc/44/25/51/609442551.db2.gz XLFHOPLCCIXSOY-ZDUSSCGKSA-N -1 3 362.462 2.692 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000826190580 609471692 /nfs/dbraw/zinc/47/16/92/609471692.db2.gz GEHHLTWMUULYOO-UHFFFAOYSA-N -1 3 373.760 2.883 20 30 FFEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000826190580 609471693 /nfs/dbraw/zinc/47/16/93/609471693.db2.gz GEHHLTWMUULYOO-UHFFFAOYSA-N -1 3 373.760 2.883 20 30 FFEDHM Cc1c(Cl)cnc(NCCOc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826240297 609559585 /nfs/dbraw/zinc/55/95/85/609559585.db2.gz LYSAQNZARYTYGH-UHFFFAOYSA-N -1 3 355.789 2.586 20 30 FFEDHM C#CCCCCCC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823840966 609641410 /nfs/dbraw/zinc/64/14/10/609641410.db2.gz HFPXEAOSZHROPG-UHFFFAOYSA-N -1 3 366.381 2.544 20 30 FFEDHM C#CCCCCCC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823840966 609641411 /nfs/dbraw/zinc/64/14/11/609641411.db2.gz HFPXEAOSZHROPG-UHFFFAOYSA-N -1 3 366.381 2.544 20 30 FFEDHM